diff --git a/.gitignore b/.gitignore index 14d9dbebc9..29648886a7 100644 --- a/.gitignore +++ b/.gitignore @@ -45,5 +45,6 @@ Thumbs.db /CMakeCache.txt /CMakeFiles/ /Makefile +/Testing /cmake_install.cmake /lmp diff --git a/cmake/Modules/Packages/ML-QUIP.cmake b/cmake/Modules/Packages/ML-QUIP.cmake index 790f27def7..ff9c7b3a7c 100644 --- a/cmake/Modules/Packages/ML-QUIP.cmake +++ b/cmake/Modules/Packages/ML-QUIP.cmake @@ -1,3 +1,70 @@ enable_language(Fortran) -find_package(QUIP REQUIRED) -target_link_libraries(lammps PRIVATE QUIP::QUIP ${LAPACK_LIBRARIES}) +find_package(QUIP QUIET) + +if(QUIP_FOUND) + set(DOWNLOAD_QUIP_DEFAULT OFF) +else() + set(DOWNLOAD_QUIP_DEFAULT ON) +endif() +option(DOWNLOAD_QUIP "Download the QUIP library instead of using an already installed one" ${DOWNLOAD_QUIP_DEFAULT}) +if(DOWNLOAD_QUIP) + string(TOUPPER "${CMAKE_BUILD_TYPE}" BTYPE) + set(temp "F77 = ${CMAKE_Fortran_COMPILER}\nF90 = ${CMAKE_Fortran_COMPILER}\nF95 = ${CMAKE_Fortran_COMPILER}\n") + set(temp "${temp}CC=${CMAKE_C_COMPILER}\nCPLUSPLUS=${CMAKE_CXX_COMPILER}\nLINKER=${CMAKE_Fortran_COMPILER}\n") + if(CMAKE_Fortran_COMPILER_ID STREQUAL Intel) + set(temp "${temp}FPP=${CMAKE_Fortran_COMPILER} -E\nOPTIM=${CMAKE_Fortran_FLAGS_${BTYPE}}\n") + set(temp "${temp}DEFINES += -DGETARG_F2003 -DFORTRAN_UNDERSCORE\n") + set(temp "${temp}F95FLAGS += -fpp -free -fPIC\n") + set(temp "${temp}F77FLAGS += -fpp -fixed -fPIC\n") + elseif(CMAKE_Fortran_COMPILER_ID STREQUAL GNU) + set(temp "${temp}FPP=${CMAKE_Fortran_COMPILER} -E -x f95-cpp-input\nOPTIM=${CMAKE_Fortran_FLAGS_${BTYPE}}\n") + set(temp "${temp}DEFINES += -DGETARG_F2003 -DGETENV_F2003 -DGFORTRAN -DFORTRAN_UNDERSCORE\n") + set(temp "${temp}F95FLAGS += -x f95-cpp-input -ffree-line-length-none -ffree-form -fno-second-underscore -fPIC\n") + set(temp "${temp}F77FLAGS += -x f77-cpp-input -fno-second-underscore -fPIC\n") + else() + message(FATAL_ERROR "The ${CMAKE_Fortran_COMPILER_ID} Fortran compiler is not (yet) supported for building QUIP") + endif() + set(temp "${temp}CFLAGS += -fPIC \nCPLUSPLUSFLAGS += -fPIC\nAR_ADD=src\n") + set(temp "${temp}MATH_LINKOPTS=") + foreach(flag ${BLAS_LIBRARIES}) + set(temp "${temp} ${flag}") + endforeach() + foreach(flag ${LAPACK_LIBRARIES}) + set(temp "${temp} ${flag}") + endforeach() + set(temp "${temp}\n") + set(temp "${temp}PYTHON=python\nPIP=pip\nEXTRA_LINKOPTS=\n") + set(temp "${temp}HAVE_CP2K=0\nHAVE_VASP=0\nHAVE_TB=0\nHAVE_PRECON=1\nHAVE_LOTF=0\nHAVE_ONIOM=0\n") + set(temp "${temp}HAVE_LOCAL_E_MIX=0\nHAVE_QC=0\nHAVE_GAP=1\nHAVE_DESCRIPTORS_NONCOMMERCIAL=1\n") + set(temp "${temp}HAVE_TURBOGAP=0\nHAVE_QR=1\nHAVE_THIRDPARTY=0\nHAVE_FX=0\nHAVE_SCME=0\nHAVE_MTP=0\n") + set(temp "${temp}HAVE_MBD=0\nHAVE_TTM_NF=0\nHAVE_CH4=0\nHAVE_NETCDF4=0\nHAVE_MDCORE=0\nHAVE_ASAP=0\n") + set(temp "${temp}HAVE_CGAL=0\nHAVE_METIS=0\nHAVE_LMTO_TBE=0\n") + file(WRITE ${CMAKE_BINARY_DIR}/quip.config "${temp}") + + message(STATUS "QUIP download via git requested - we will build our own") + # QUIP has no releases (except for a tag marking the end of Python 2 support). We use the current "public" branch + # The LAMMPS interface wrapper has a compatibility constant that is being checked at runtime. + include(ExternalProject) + ExternalProject_Add(quip_build + GIT_REPOSITORY "https://github.com/libAtoms/QUIP/" + GIT_TAG origin/public + GIT_SHALLOW YES + GIT_PROGRESS YES + PATCH_COMMAND cp ${CMAKE_BINARY_DIR}/quip.config /arch/Makefile.lammps + CONFIGURE_COMMAND env QUIP_ARCH=lammps make config + BUILD_COMMAND env QUIP_ARCH=lammps make libquip + INSTALL_COMMAND "" + BUILD_IN_SOURCE YES + BUILD_BYPRODUCTS /build/lammps/libquip.a + ) + ExternalProject_get_property(quip_build SOURCE_DIR) + add_library(LAMMPS::QUIP UNKNOWN IMPORTED) + set_target_properties(LAMMPS::QUIP PROPERTIES + IMPORTED_LOCATION "${SOURCE_DIR}/build/lammps/libquip.a" + INTERFACE_LINK_LIBRARIES "${LAPACK_LIBRARIES}") + target_link_libraries(lammps PRIVATE LAMMPS::QUIP) + add_dependencies(LAMMPS::QUIP quip_build) +else() + find_package(QUIP REQUIRED) + target_link_libraries(lammps PRIVATE QUIP::QUIP ${LAPACK_LIBRARIES}) +endif() diff --git a/doc/src/Build_extras.rst b/doc/src/Build_extras.rst index 7c6bb7a878..2157fe86c8 100644 --- a/doc/src/Build_extras.rst +++ b/doc/src/Build_extras.rst @@ -31,36 +31,36 @@ This is the list of packages that may require additional steps. .. table_from_list:: :columns: 6 - * :ref:`COMPRESS ` - * :ref:`GPU ` - * :ref:`KIM ` - * :ref:`KOKKOS ` - * :ref:`LATTE ` - * :ref:`MESSAGE ` - * :ref:`ML-IAP ` - * :ref:`MSCG ` - * :ref:`OPT ` - * :ref:`POEMS ` - * :ref:`PYTHON ` - * :ref:`VORONOI ` * :ref:`ADIOS ` * :ref:`ATC ` * :ref:`AWPMD ` * :ref:`COLVARS ` + * :ref:`COMPRESS ` + * :ref:`GPU ` * :ref:`H5MD ` - * :ref:`ML-HDNNP ` * :ref:`INTEL ` + * :ref:`KIM ` + * :ref:`KOKKOS ` + * :ref:`LATTE ` + * :ref:`MACHDYN ` * :ref:`MDI ` * :ref:`MESONT ` - * :ref:`MOLFILE ` - * :ref:`NETCDF ` + * :ref:`MESSAGE ` + * :ref:`ML-HDNNP ` + * :ref:`ML-IAP ` * :ref:`ML-PACE ` - * :ref:`PLUMED ` - * :ref:`OPENMP ` - * :ref:`QMMM ` * :ref:`ML-QUIP ` + * :ref:`MOLFILE ` + * :ref:`MSCG ` + * :ref:`NETCDF ` + * :ref:`OPENMP ` + * :ref:`OPT ` + * :ref:`PLUMED ` + * :ref:`POEMS ` + * :ref:`PYTHON ` + * :ref:`QMMM ` * :ref:`SCAFACOS ` - * :ref:`MACHDYN ` + * :ref:`VORONOI ` * :ref:`VTK ` ---------- @@ -1857,8 +1857,8 @@ ML-QUIP package To build with this package, you must download and build the QUIP library. It can be obtained from GitHub. For support of GAP potentials, additional files with specific licensing conditions need -to be downloaded and configured. See step 1 and step 1.1 in the -``lib/quip/README`` file for details on how to do this. +to be downloaded and configured. The automatic download will from +within CMake will download the non-commercial use version. .. tabs:: @@ -1866,11 +1866,14 @@ to be downloaded and configured. See step 1 and step 1.1 in the .. code-block:: bash + -D DOWNLOAD_QUIP=value # download OpenKIM API v2 for build, value = no (default) or yes -D QUIP_LIBRARY=path # path to libquip.a (only needed if a custom location) - CMake will **not** download and build the QUIP library. But once you have - done that, a CMake build of LAMMPS with ``-D PKG_ML-QUIP=yes`` should - work. Set the ``QUIP_LIBRARY`` variable if CMake cannot find the QUIP library. + CMake will try to download and build the QUIP library from GitHub, if it is not + found on the local machine. This requires to have git installed. It will use the same compilers + and flags as used for compiling LAMMPS. Currently this is only supported for the GNU and the + Intel compilers. Set the ``QUIP_LIBRARY`` variable if you want to use a previously compiled + and installed QUIP library and CMake cannot find it. .. tab:: Traditional make diff --git a/doc/src/Commands_compute.rst b/doc/src/Commands_compute.rst index 0169826751..9dfb28fa8b 100644 --- a/doc/src/Commands_compute.rst +++ b/doc/src/Commands_compute.rst @@ -72,6 +72,7 @@ KOKKOS, o = OPENMP, t = OPT. * :doc:`gyration/shape/chunk ` * :doc:`heat/flux ` * :doc:`heat/flux/tally ` + * :doc:`heat/flux/virial/tally ` * :doc:`hexorder/atom ` * :doc:`hma ` * :doc:`improper ` diff --git a/doc/src/Commands_fix.rst b/doc/src/Commands_fix.rst index bae7c5920a..0ca71699a3 100644 --- a/doc/src/Commands_fix.rst +++ b/doc/src/Commands_fix.rst @@ -157,6 +157,7 @@ OPT. * :doc:`orient/fcc ` * :doc:`orient/eco ` * :doc:`pafi ` + * :doc:`pair/tracker ` * :doc:`phonon ` * :doc:`pimd ` * :doc:`planeforce ` diff --git a/doc/src/Commands_pair.rst b/doc/src/Commands_pair.rst index bccb17224a..7abb1d582a 100644 --- a/doc/src/Commands_pair.rst +++ b/doc/src/Commands_pair.rst @@ -273,6 +273,7 @@ OPT. * :doc:`tip4p/cut (o) ` * :doc:`tip4p/long (o) ` * :doc:`tip4p/long/soft (o) ` + * :doc:`tracker ` * :doc:`tri/lj ` * :doc:`ufm (got) ` * :doc:`vashishta (gko) ` diff --git a/doc/src/Examples.rst b/doc/src/Examples.rst index 0f1ab2626d..df9d1616a6 100644 --- a/doc/src/Examples.rst +++ b/doc/src/Examples.rst @@ -150,6 +150,8 @@ Lowercase directories +-------------+------------------------------------------------------------------+ | threebody | regression test input for a variety of manybody potentials | +-------------+------------------------------------------------------------------+ +| tracker | track interactions in LJ melt | ++-------------+------------------------------------------------------------------+ | vashishta | use of the Vashishta potential | +-------------+------------------------------------------------------------------+ | voronoi | Voronoi tesselation via compute voronoi/atom command | diff --git a/doc/src/bond_oxdna.rst b/doc/src/bond_oxdna.rst index 80153d52b9..3b35f92d89 100644 --- a/doc/src/bond_oxdna.rst +++ b/doc/src/bond_oxdna.rst @@ -84,6 +84,13 @@ commands: the bond topology in the data file. The first (second) atom in a bond definition is understood to point towards the 3'-end (5'-end) of the strand. +.. warning:: + + If data files are produced with :doc:`write_data `, then the + :doc:`newton ` command should be set to *newton on* or *newton off on*. + Otherwise the data files will not have the same 3'-to-5' polarity as the + initial data file. This limitation does not apply to binary restart files + produced with :doc:`write_restart `. Example input and data files for DNA and RNA duplexes can be found in examples/PACKAGES/cgdna/examples/oxDNA/ , /oxDNA2/ and /oxRNA2/. A simple python diff --git a/doc/src/compute.rst b/doc/src/compute.rst index c2b2b92aa1..7a89c6cc87 100644 --- a/doc/src/compute.rst +++ b/doc/src/compute.rst @@ -208,7 +208,7 @@ The individual style names on the :doc:`Commands compute ` doc * :doc:`event/displace ` - detect event on atom displacement * :doc:`fabric ` - calculates fabric tensors from pair interactions * :doc:`fep ` - -* :doc:`force/tally ` - +* :doc:`force/tally ` - force between two groups of atoms via the tally callback mechanism * :doc:`fragment/atom ` - fragment ID for each atom * :doc:`global/atom ` - * :doc:`group/group ` - energy/force between two groups of atoms @@ -217,7 +217,8 @@ The individual style names on the :doc:`Commands compute ` doc * :doc:`gyration/shape ` - shape parameters from gyration tensor * :doc:`gyration/shape/chunk ` - shape parameters from gyration tensor for each chunk * :doc:`heat/flux ` - heat flux through a group of atoms -* :doc:`heat/flux/tally ` - +* :doc:`heat/flux/tally ` - heat flux through a group of atoms via the tally callback mechanism +* :doc:`heat/flux/virial/tally ` - virial heat flux between two groups via the tally callback mechanism * :doc:`hexorder/atom ` - bond orientational order parameter q6 * :doc:`hma ` - harmonically mapped averaging for atomic crystals * :doc:`improper ` - energy of each improper sub-style @@ -240,8 +241,8 @@ The individual style names on the :doc:`Commands compute ` doc * :doc:`pe ` - potential energy * :doc:`pe/atom ` - potential energy for each atom * :doc:`mesont ` - Nanotube bending,stretching, and intertube energies -* :doc:`pe/mol/tally ` - -* :doc:`pe/tally ` - +* :doc:`pe/mol/tally ` - potential energy between two groups of atoms separated into intermolecular and intramolecular components via the tally callback mechanism +* :doc:`pe/tally ` - potential energy between two groups of atoms via the tally callback mechanism * :doc:`plasticity/atom ` - Peridynamic plasticity for each atom * :doc:`pressure ` - total pressure and pressure tensor * :doc:`pressure/cylinder ` - pressure tensor in cylindrical coordinates @@ -289,7 +290,7 @@ The individual style names on the :doc:`Commands compute ` doc * :doc:`stress/atom ` - stress tensor for each atom * :doc:`stress/mop ` - normal components of the local stress tensor using the method of planes * :doc:`stress/mop/profile ` - profile of the normal components of the local stress tensor using the method of planes -* :doc:`stress/tally ` - +* :doc:`stress/tally ` - stress between two groups of atoms via the tally callback mechanism * :doc:`tdpd/cc/atom ` - per-atom chemical concentration of a specified species for each tDPD particle * :doc:`temp ` - temperature of group of atoms * :doc:`temp/asphere ` - temperature of aspherical particles diff --git a/doc/src/compute_tally.rst b/doc/src/compute_tally.rst index 32e3e31030..81756dda7c 100644 --- a/doc/src/compute_tally.rst +++ b/doc/src/compute_tally.rst @@ -1,5 +1,6 @@ .. index:: compute force/tally .. index:: compute heat/flux/tally +.. index:: compute heat/flux/virial/tally .. index:: compute pe/tally .. index:: compute pe/mol/tally .. index:: compute stress/tally @@ -10,6 +11,9 @@ compute force/tally command compute heat/flux/tally command =============================== +compute heat/flux/virial/tally command +====================================== + compute pe/tally command ======================== @@ -27,7 +31,7 @@ Syntax compute ID group-ID style group2-ID * ID, group-ID are documented in :doc:`compute ` command -* style = *force/tally* or *pe/tally* or *pe/mol/tally* or *stress/tally* +* style = *force/tally* or *heat/flux/tally* or *heat/flux/virial/tally* or * or *pe/tally* or *pe/mol/tally* or *stress/tally* * group2-ID = group ID of second (or same) group Examples @@ -38,13 +42,17 @@ Examples compute 1 lower force/tally upper compute 1 left pe/tally right compute 1 lower stress/tally lower + compute 1 subregion heat/flux/tally all + compute 1 liquid heat/flux/virial/tally solid Description """"""""""" Define a computation that calculates properties between two groups of -atoms by accumulating them from pairwise non-bonded computations. The -two groups can be the same. This is similar to :doc:`compute group/group ` only that the data is +atoms by accumulating them from pairwise non-bonded computations. +Except for *heat/flux/virial/tally*, the two groups can be the same. +This is similar to :doc:`compute group/group ` +only that the data is accumulated directly during the non-bonded force computation. The computes *force/tally*\ , *pe/tally*\ , *stress/tally*\ , and *heat/flux/tally* are primarily provided as example how to program @@ -57,6 +65,76 @@ the based classes of LAMMPS. ---------- +Compute *heat/flux/tally* obtains the heat flux +(strictly speaking, heat flow) inside the first group, +which is the sum of the convective contribution +due to atoms in the first group and the virial contribution +due to interaction between the first and second groups: + +.. math:: + + \mathbf{Q}= \sum_{i \in \text{group 1}} e_i \mathbf{v}_i + \frac{1}{2} \sum_{i \in \text{group 1}} \sum_{\substack{j \in \text{group 2} \\ j \neq i } } \left( \mathbf{F}_{ij} \cdot \mathbf{v}_j \right) \mathbf{r}_{ij} + +When the second group in *heat/flux/tally* is set to "all", +the resulting values will be identical +to that obtained by :doc:`compute heat/flux `, +provided only pairwise interactions exist. + +Compute *heat/flux/virial/tally* obtains the total virial heat flux +(strictly speaking, heat flow) into the first group due to interaction +with the second group, and is defined as: + +.. math:: + + Q = \frac{1}{2} \sum_{i \in \text{group 1}} \sum_{j \in \text{group 2}} \mathbf{F}_{ij} \cdot \left(\mathbf{v}_i + \mathbf{v}_j \right) + +Although, the *heat/flux/virial/tally* compute +does not include the convective term, +it can be used to obtain the total heat flux over control surfaces, +when there are no particles crossing over, +such as is often in solid-solid and solid-liquid interfaces. +This would be identical to the method of planes method. +Note that the *heat/flux/virial/tally* compute is distinctly different +from the *heat/flux* and *heat/flux/tally* computes, +that are essentially volume averaging methods. +The following example demonstrates the difference: + +.. code-block:: LAMMPS + + # System with only pairwise interactions. + # Non-periodic boundaries in the x direction. + # Has LeftLiquid and RightWall groups along x direction. + + # Heat flux over the solid-liquid interface + compute hflow_hfvt LeftLiquid heat/flux/virial/tally RightWall + variable hflux_hfvt equal c_hflow_hfvt/(ly*lz) + + # x component of approximate heat flux vector inside the liquid region, + # two approaches. + # + compute myKE all ke/atom + compute myPE all pe/atom + compute myStress all stress/atom NULL virial + compute hflow_hf LeftLiquid heat/flux myKE myPE myStress + variable hflux_hf equal c_hflow_hf[1]/${volLiq} + # + compute hflow_hft LeftLiquid heat/flux/tally all + variable hflux_hft equal c_hflow_hft[1]/${volLiq} + + # Pressure over the solid-liquid interface, three approaches. + # + compute force_gg RightWall group/group LeftLiquid + variable press_gg equal c_force_gg[1]/(ly*lz) + # + compute force_ft RightWall force/tally LeftLiquid + compute rforce_ft RightWall reduce sum c_force_ft[1] + variable press_ft equal c_rforce_ft/(ly*lz) + # + compute rforce_hfvt all reduce sum c_hflow_hfvt[1] + variable press_hfvt equal -c_rforce_hfvt/(ly*lz) + +---------- + The pairwise contributions are computing via a callback that the compute registers with the non-bonded pairwise force computation. This limits the use to systems that have no bonds, no Kspace, and no @@ -83,7 +161,17 @@ magnitude) and a per atom 3-element vector (force contribution from each atom). Compute *stress/tally* calculates a global scalar (average of the diagonal elements of the stress tensor) and a per atom vector (the 6 elements of stress tensor contributions from the -individual atom). +individual atom). As in :doc:`compute heat/flux `, +compute *heat/flux/tally* calculates a global vector of length 6, +where the first 3 components are the :math:`x`, :math:`y`, :math:`z` +components of the full heat flow vector, +and the next 3 components are the corresponding components +of just the convective portion of the flow, i.e. the +first term in the equation for :math:`\mathbf{Q}`. +Compute *heat/flux/virial/tally* calculates a global scalar (heat flow) +and a per atom 3-element vector +(contribution to the force acting over atoms in the first group +from individual atoms in both groups). Both the scalar and vector values calculated by this compute are "extensive". diff --git a/doc/src/dump_modify.rst b/doc/src/dump_modify.rst index 07f00c4030..a66c571dea 100644 --- a/doc/src/dump_modify.rst +++ b/doc/src/dump_modify.rst @@ -66,7 +66,7 @@ Syntax *unwrap* arg = *yes* or *no* * these keywords apply only to the *image* and *movie* :doc:`styles ` -* keyword = *acolor* or *adiam* or *amap* or *backcolor* or *bcolor* or *bdiam* or *boxcolor* or *color* or *bitrate* or *framerate* +* keyword = *acolor* or *adiam* or *amap* or *backcolor* or *bcolor* or *bdiam* or *boxcolor* or *color* or *bitrate* or *framerate* or *header* .. parsed-literal:: @@ -113,6 +113,9 @@ Syntax rate = target bitrate for movie in kbps *framerate* arg = fps fps = frames per second for movie + *header* arg = *yes* or *no* + *yes* to write the header + *no* to not write the header * these keywords apply only to the */gz* and */zstd* dump styles * keyword = *compression_level* @@ -977,6 +980,13 @@ images less frequently. ---------- +The *header* keyword toggles whether the dump file will include a header. +Excluding a header will reduce the size of the dump file for fixes such as +:doc:`fix pair/tracker ` which do not require the information +typically written to the header. + +---------- + The COMPRESS package offers both GZ and Zstd compression variants of styles atom, custom, local, cfg, and xyz. When using these styles the compression level can be controlled by the :code:`compression_level` parameter. File names diff --git a/doc/src/dump_netcdf.rst b/doc/src/dump_netcdf.rst index 9fac10dc99..c14ec02871 100644 --- a/doc/src/dump_netcdf.rst +++ b/doc/src/dump_netcdf.rst @@ -73,6 +73,9 @@ NETCDF package. They are only enabled if LAMMPS was built with that package. See the :doc:`Build package ` doc page for more info. +The *netcdf* and *netcdf/mpiio* dump styles currently cannot dump +string properties or properties from variables. + ---------- Related commands diff --git a/doc/src/fix.rst b/doc/src/fix.rst index b4ac1e5e45..912cfad255 100644 --- a/doc/src/fix.rst +++ b/doc/src/fix.rst @@ -300,6 +300,7 @@ accelerated styles exist. * :doc:`orient/fcc ` - add grain boundary migration force for FCC * :doc:`orient/eco ` - add generalized grain boundary migration force * :doc:`pafi ` - constrained force averages on hyper-planes to compute free energies (PAFI) +* :doc:`pair/tracker ` - track properties of pairwise interactions * :doc:`phonon ` - calculate dynamical matrix from MD simulations * :doc:`pimd ` - Feynman path integral molecular dynamics * :doc:`planeforce ` - constrain atoms to move in a plane diff --git a/doc/src/fix_oneway.rst b/doc/src/fix_oneway.rst index 180a394ba0..e899703fc1 100644 --- a/doc/src/fix_oneway.rst +++ b/doc/src/fix_oneway.rst @@ -50,7 +50,9 @@ the :doc:`run ` command. This fix is not invoked during :doc:`energy minim Restrictions """""""""""" - none + +This fix is part of the MISC package. It is only enabled if LAMMPS +was built with that package. See the :doc:`Build package ` doc page for more info. Related commands """""""""""""""" diff --git a/doc/src/fix_pair_tracker.rst b/doc/src/fix_pair_tracker.rst new file mode 100644 index 0000000000..6e544b1c80 --- /dev/null +++ b/doc/src/fix_pair_tracker.rst @@ -0,0 +1,124 @@ +.. index:: fix pair/tracker + +fix pair/tracker command +======================== + +Syntax +"""""" + +.. parsed-literal:: + + fix ID group-ID pair/tracker N attribute1 attribute2 ... keyword values ... + +* ID, group-ID are documented in :doc:`fix ` command +* pair/tracker = style name of this fix command +* N = prepare data for output every this many timesteps +* one or more attributes may be appended + + .. parsed-literal:: + + possible attributes = id1 id2 time/created time/broken time/total + rmin rave x y z + + .. parsed-literal:: + + id1, id2 = IDs of the 2 atoms in each pair interaction + time/created = the time that the 2 atoms began interacting + time/broken = the time that the 2 atoms stopped interacting + time/total = the total time the 2 atoms interacted + r/min = the minimum radial distance between the 2 atoms during the interaction + r/ave = the average radial distance between the 2 atoms during the interaction + x, y, z = the center of mass position of the 2 atoms when they stopped interacting + +* zero or more keyword/value pairs may be appended +* keyword = *time/min* or *type/include* + + .. parsed-literal:: + + *time/min* value = T + T = minimum interaction time + *type/include* value = arg1 arg2 + arg = separate lists of types (see below) + +Examples +"""""""" + +.. code-block:: LAMMPS + + fix 1 all pair/tracker 1000 id1 id2 time/min 100 + fix 1 all pair/tracker 1000 time/created time/broken type/include 1 * type/include 2 3,4 + +Description +""""""""""" + +Tracks properties of pairwise interactions between two atoms and records data +whenever the atoms move beyond the interaction cutoff. +Must be used in conjunction with :doc:`pair tracker `. +Data is accumulated over a span of *N* timesteps before being deleted. +The number of datums generated, aggregated across all processors, equals +the number of broken interactions. Interactions are only included if both +atoms are included in the specified fix group. Additional filters can be +applied using the *time/min* or *type/include* keywords described below. + +.. note:: + + For extremely long-lived interactions, the calculation of *r/ave* may not be + correct due to double overflow. + +The *time/min* keyword sets a minimum amount of time that an interaction must +persist to be included. This setting can be used to censor short-lived interactions. +The *type/include* keyword filters interactions based on the types of the two atoms. +Data is only saved for interactions between atoms with types in the two lists. +Each list consists of a series of type +ranges separated by commas. The range can be specified as a +single numeric value, or a wildcard asterisk can be used to specify a range +of values. This takes the form "\*" or "\*n" or "n\*" or "m\*n". For +example, if M = the number of atom types, then an asterisk with no numeric +values means all types from 1 to M. A leading asterisk means all types +from 1 to n (inclusive). A trailing asterisk means all types from n to M +(inclusive). A middle asterisk means all types from m to n (inclusive). +Multiple *type/include* keywords may be added. + +---------- + +Restart, fix_modify, run start/stop, minimize info +""""""""""""""""""""""""""""""""""""""""""""""""""""""""""" + +No information about this fix is written to :doc:`binary restart files `. +None of the :doc:`fix_modify ` options are +relevant to this fix. +No parameter of this fix can be used with the *start/stop* keywords of +the :doc:`run ` command. + +Output info +""""""""""" + +This compute calculates a local vector or local array depending on the +number of input values. The length of the vector or number of rows in +the array is the number of recorded, lost interactions. If a single input is +specified, a local vector is produced. If two or more inputs are +specified, a local array is produced where the number of columns = the +number of inputs. The vector or array can be accessed by any command +that uses local values from a compute as input. See the :doc:`Howto output ` doc page for an overview of LAMMPS output +options. + +The vector or array values will be doubles that correspond to the +specified attribute. + +Restrictions +"""""""""""" + +Must be used in conjunction with :doc:`pair style tracker `. + +This fix is part of the MISC package. It is only enabled if LAMMPS +was built with that package. See the :doc:`Build package ` doc page for more info. + +Related commands +"""""""""""""""" + +:doc:`pair tracker ` + +Default +""""""" + +none diff --git a/doc/src/fix_plumed.rst b/doc/src/fix_plumed.rst index 5c32ccee99..fda37ff64e 100644 --- a/doc/src/fix_plumed.rst +++ b/doc/src/fix_plumed.rst @@ -41,7 +41,7 @@ and when PLUMED is used as a stand alone code for analysis. The full `documentation for PLUMED `_ is available online and included in the PLUMED source code. The PLUMED library development is hosted at `https://github.com/plumed/plumed2 `_ -A detailed discussion of the code can be found in :ref:`(PLUMED) `. +A detailed discussion of the code can be found in :ref:`(Tribello) `. There is an example input for using this package with LAMMPS in the examples/PACKAGES/plumed directory. @@ -132,9 +132,9 @@ The default options are plumedfile = NULL and outfile = NULL ---------- -.. _PLUMED: +.. _Tribello: -**(PLUMED)** G.A. Tribello, M. Bonomi, D. Branduardi, C. Camilloni and G. Bussi, Comp. Phys. Comm 185, 604 (2014) +**(Tribello)** G.A. Tribello, M. Bonomi, D. Branduardi, C. Camilloni and G. Bussi, Comp. Phys. Comm 185, 604 (2014) .. _plumeddocs: https://www.plumed.org/doc.html diff --git a/doc/src/pair_granular.rst b/doc/src/pair_granular.rst index 432fd29584..dea862b62d 100644 --- a/doc/src/pair_granular.rst +++ b/doc/src/pair_granular.rst @@ -665,12 +665,6 @@ then LAMMPS will use that cutoff for the specified atom type combination, and automatically set pairwise cutoffs for the remaining atom types. -If two particles are moving away from each other while in contact, there -is a possibility that the particles could experience an effective attractive -force due to damping. If the *limit_damping* keyword is used, this option -will zero out the normal component of the force if there is an effective -attractive force. This keyword cannot be used with the JKR or DMT models. - ---------- .. include:: accel_styles.rst diff --git a/doc/src/pair_style.rst b/doc/src/pair_style.rst index 99ed142af6..f0497cb931 100644 --- a/doc/src/pair_style.rst +++ b/doc/src/pair_style.rst @@ -338,6 +338,7 @@ accelerated styles exist. * :doc:`tip4p/cut ` - Coulomb for TIP4P water w/out LJ * :doc:`tip4p/long ` - long-range Coulomb for TIP4P water w/out LJ * :doc:`tip4p/long/soft ` - +* :doc:`tracker ` - monitor information about pairwise interactions * :doc:`tri/lj ` - LJ potential between triangles * :doc:`ufm ` - * :doc:`vashishta ` - Vashishta 2-body and 3-body potential diff --git a/doc/src/pair_tracker.rst b/doc/src/pair_tracker.rst new file mode 100644 index 0000000000..5a85a7f048 --- /dev/null +++ b/doc/src/pair_tracker.rst @@ -0,0 +1,97 @@ +.. index:: pair_style tracker + +pair_style tracker command +========================== + +Syntax +"""""" + +.. code-block:: LAMMPS + + pair_style tracker keyword + +* zero or more keyword/arg pairs may be appended +* keyword = *finite* + + .. parsed-literal:: + + *finite* value = none + pair style uses atomic diameters to identify contacts + +Examples +"""""""" + +.. code-block:: LAMMPS + + pair_style hybrid/overlay tracker ... + pair_coeff 1 1 tracker 2.0 + + pair_style hybrid/overlay tracker finite ... + pair_coeff * * tracker + + fix 1 all pair/tracker 1000 time/created time/broken + dump 1 all local 1000 dump.local f_1[1] f_1[2] + dump_modify 1 write_header no + +Description +""""""""""" + +Style *tracker* monitors information about pairwise interactions. +It does not calculate any forces on atoms. +:doc:`Pair hybrid/overlay ` can be used to combine this pair +style with another pair style. Style *tracker* must be used in conjunction +with about :doc:`fix pair_tracker ` which contains +information on what data can be output. + +If the *finite* keyword is not defined, the following coefficients must be +defined for each pair of atom types via the :doc:`pair_coeff ` +command as in the examples above, or in the data file or restart files +read by the :doc:`read_data ` or :doc:`read_restart ` +commands, or by mixing as described below: + +* cutoff (distance units) + +If the *finite* keyword is defined, no coefficients may be defined. +Interaction cutoffs are alternatively calculated based on the +diameter of finite particles. + + +Mixing, shift, table, tail correction, restart, rRESPA info +""""""""""""""""""""""""""""""""""""""""""""""""""""""""""" + +For atom type pairs I,J and I != J, the cutoff coefficient and cutoff +distance for this pair style can be mixed. The cutoff is always mixed via a +*geometric* rule. The cutoff is mixed according to the pair_modify +mix value. The default mix value is *geometric*\ . See the +"pair_modify" command for details. + +This pair style writes its information to :doc:`binary restart files `, so +pair_style and pair_coeff commands do not need +to be specified in an input script that reads a restart file. + +The :doc:`pair_modify ` shift, table, and tail options +are not relevant for this pair style. + +---------- + +Restrictions +"""""""""""" + +A corresponding :doc:`fix pair_tracker ` must be defined +to use this pair style. + +This pair style is currently incompatible with granular pair styles that extend +beyond the contact (e.g. JKR and DMT). + +This fix is part of the MISC package. It is only enabled if LAMMPS +was built with that package. See the :doc:`Build package ` doc page for more info. + +Related commands +"""""""""""""""" + +:doc:`fix pair_tracker ` + +Default +""""""" + +none diff --git a/doc/utils/sphinx-config/false_positives.txt b/doc/utils/sphinx-config/false_positives.txt index 846e08f501..45728b5caf 100644 --- a/doc/utils/sphinx-config/false_positives.txt +++ b/doc/utils/sphinx-config/false_positives.txt @@ -1132,6 +1132,7 @@ Germano gerolf Gerolf Gershgorin +getter gettimeofday gewald Gezelter diff --git a/examples/PACKAGES/cgdna/README b/examples/PACKAGES/cgdna/README index 9ad170b639..949dda91af 100644 --- a/examples/PACKAGES/cgdna/README +++ b/examples/PACKAGES/cgdna/README @@ -72,6 +72,14 @@ between two individual nucleotides can be established. /******************************************************************************/ +/examples/oxDNA2/dsring: + +This example uses a dsDNA ring of 74 base pairs. The bonds which close the ring +are (in 3' to 5' direction) between nucleotide 74 and 1 and between nucleotide +148 and 75, respectively. + +/******************************************************************************/ + /examples/oxRNA2/duplex2 This example uses the duplex2 with the oxRNA2 force field instead of oxDNA or diff --git a/examples/PACKAGES/cgdna/examples/oxDNA/duplex1/in.duplex1 b/examples/PACKAGES/cgdna/examples/oxDNA/duplex1/in.duplex1 index fcddbf51ba..f0ca98c59f 100644 --- a/examples/PACKAGES/cgdna/examples/oxDNA/duplex1/in.duplex1 +++ b/examples/PACKAGES/cgdna/examples/oxDNA/duplex1/in.duplex1 @@ -7,7 +7,7 @@ units lj dimension 3 -newton off +newton on boundary p p p @@ -67,3 +67,4 @@ dump_modify out format line "%d %d %d %22.15le %22.15le %22.15le %d %d %d %22 run 1000000 write_data last_config.${number}.* nocoeff +#write_restart last_config.${number}.* diff --git a/examples/PACKAGES/cgdna/examples/oxDNA/duplex1/log.27May21.duplex1.g++.1 b/examples/PACKAGES/cgdna/examples/oxDNA/duplex1/log.27May21.duplex1.g++.1 deleted file mode 100644 index 7d5af6aec3..0000000000 --- a/examples/PACKAGES/cgdna/examples/oxDNA/duplex1/log.27May21.duplex1.g++.1 +++ /dev/null @@ -1,1170 +0,0 @@ -LAMMPS (27 May 2021) -variable number equal 1 -variable ofreq equal 1000 -variable efreq equal 1000 -variable T equal 0.1 - -units lj - -dimension 3 - -newton off - -boundary p p p - -atom_style hybrid bond ellipsoid oxdna -WARNING: Atom style hybrid defines both, per-type and per-atom masses; both must be set, but only per-atom masses will be used (../atom_vec_hybrid.cpp:157) -atom_modify sort 0 1.0 - -# Pair interactions require lists of neighbours to be calculated -neighbor 2.0 bin -neigh_modify every 1 delay 0 check yes - -read_data data.duplex1 -Reading data file ... - orthogonal box = (-20.000000 -20.000000 -20.000000) to (20.000000 20.000000 20.000000) - 1 by 1 by 1 MPI processor grid - reading atoms ... - 10 atoms - reading velocities ... - 10 velocities - scanning bonds ... - 2 = max bonds/atom - 10 ellipsoids - reading bonds ... - 8 bonds -Finding 1-2 1-3 1-4 neighbors ... - special bond factors lj: 0 0 0 - special bond factors coul: 0 0 0 - 2 = max # of 1-2 neighbors - 2 = max # of 1-3 neighbors - 2 = max # of 1-4 neighbors - 4 = max # of special neighbors - special bonds CPU = 0.000 seconds - read_data CPU = 0.002 seconds - -set atom * mass 3.1575 -Setting atom values ... - 10 settings made for mass - -group all type 1 4 -10 atoms in group all - -# oxDNA bond interactions - FENE backbone -bond_style oxdna/fene -bond_coeff * 2.0 0.25 0.7525 -special_bonds lj 0 1 1 -Finding 1-2 1-3 1-4 neighbors ... - special bond factors lj: 0 1 1 - special bond factors coul: 0 0 0 - 2 = max # of 1-2 neighbors - 2 = max # of 1-3 neighbors - 2 = max # of 1-4 neighbors - 4 = max # of special neighbors - special bonds CPU = 0.000 seconds - -# oxDNA pair interactions -pair_style hybrid/overlay oxdna/excv oxdna/stk oxdna/hbond oxdna/xstk oxdna/coaxstk -pair_coeff * * oxdna/excv 2.0 0.7 0.675 2.0 0.515 0.5 2.0 0.33 0.32 -pair_coeff * * oxdna/stk seqav ${T} 1.3448 2.6568 6.0 0.4 0.9 0.32 0.75 1.3 0 0.8 0.9 0 0.95 0.9 0 0.95 2.0 0.65 2.0 0.65 -pair_coeff * * oxdna/stk seqav 0.1 1.3448 2.6568 6.0 0.4 0.9 0.32 0.75 1.3 0 0.8 0.9 0 0.95 0.9 0 0.95 2.0 0.65 2.0 0.65 -pair_coeff * * oxdna/hbond seqav 0.0 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 -pair_coeff 1 4 oxdna/hbond seqav 1.077 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 -pair_coeff 2 3 oxdna/hbond seqav 1.077 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 -pair_coeff * * oxdna/xstk 47.5 0.575 0.675 0.495 0.655 2.25 0.791592653589793 0.58 1.7 1.0 0.68 1.7 1.0 0.68 1.5 0 0.65 1.7 0.875 0.68 1.7 0.875 0.68 -pair_coeff * * oxdna/coaxstk 46.0 0.4 0.6 0.22 0.58 2.0 2.541592653589793 0.65 1.3 0 0.8 0.9 0 0.95 0.9 0 0.95 2.0 -0.65 2.0 -0.65 - -# NVE ensemble -fix 1 all nve/asphere -#fix 2 all langevin ${T} ${T} 2.5 457145 angmom 10 - -timestep 1e-5 - -#comm_style tiled -fix 3 all balance 1000 1.03 shift xyz 10 1.03 -comm_modify cutoff 3.8 - -compute quat all property/atom quatw quati quatj quatk - -compute erot all erotate/asphere -compute ekin all ke -compute epot all pe -variable erot equal c_erot -variable ekin equal c_ekin -variable epot equal c_epot -variable etot equal c_erot+c_ekin+c_epot -fix 5 all print ${efreq} "$(step) ekin = ${ekin} | erot = ${erot} | epot = ${epot} | etot = ${etot}" screen yes -fix 5 all print 1000 "$(step) ekin = ${ekin} | erot = ${erot} | epot = ${epot} | etot = ${etot}" screen yes - -dump out all custom ${ofreq} out.${number}.lammpstrj id mol type x y z ix iy iz vx vy vz c_quat[1] c_quat[2] c_quat[3] c_quat[4] angmomx angmomy angmomz -dump out all custom 1000 out.${number}.lammpstrj id mol type x y z ix iy iz vx vy vz c_quat[1] c_quat[2] c_quat[3] c_quat[4] angmomx angmomy angmomz -dump out all custom 1000 out.1.lammpstrj id mol type x y z ix iy iz vx vy vz c_quat[1] c_quat[2] c_quat[3] c_quat[4] angmomx angmomy angmomz -dump_modify out sort id -dump_modify out format line "%d %d %d %22.15le %22.15le %22.15le %d %d %d %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le" - -run 1000000 -Neighbor list info ... - update every 1 steps, delay 0 steps, check yes - max neighbors/atom: 2000, page size: 100000 - master list distance cutoff = 2.9560004 - ghost atom cutoff = 3.8 - binsize = 1.4780002, bins = 28 28 28 - 4 neighbor lists, perpetual/occasional/extra = 4 0 0 - (1) pair oxdna/excv, perpetual - attributes: half, newton off - pair build: half/bin/newtoff - stencil: full/bin/3d - bin: standard - (2) pair oxdna/hbond, perpetual, copy from (1) - attributes: half, newton off - pair build: copy - stencil: none - bin: none - (3) pair oxdna/xstk, perpetual, copy from (1) - attributes: half, newton off - pair build: copy - stencil: none - bin: none - (4) pair oxdna/coaxstk, perpetual, copy from (1) - attributes: half, newton off - pair build: copy - stencil: none - bin: none -0 ekin = 1.10853632272819 | erot = 2.81573649976629 | epot = -13.0576219534369 | etot = -9.13334913094246 -Per MPI rank memory allocation (min/avg/max) = 9.199 | 9.199 | 9.199 Mbytes -Step Temp E_pair E_mol TotEng Press Volume - 0 0.082113802 -1.3488546 0.043092397 -1.1949086 -4.6816211e-05 64000 -1000 ekin = 1.08024346604046 | erot = 2.90873406534668 | epot = -13.1223266626202 | etot = -9.13334913123307 -2000 ekin = 1.05028450914437 | erot = 2.98006324808558 | epot = -13.1636968886591 | etot = -9.13334913142915 -3000 ekin = 1.01964458529397 | erot = 3.02592193798632 | epot = -13.1789156547658 | etot = -9.13334913148547 -4000 ekin = 0.989515033089539 | erot = 3.04428486059471 | epot = -13.1671490250724 | etot = -9.13334913138813 -5000 ekin = 0.961283929687833 | erot = 3.03510855539557 | epot = -13.1297416162282 | etot = -9.13334913114481 -6000 ekin = 0.936412193404256 | erot = 3.00022299571975 | epot = -13.0699843199583 | etot = -9.13334913083425 -7000 ekin = 0.916233699107968 | erot = 2.9427713444016 | epot = -12.9923541739966 | etot = -9.13334913048708 -8000 ekin = 0.901760662506268 | erot = 2.86671228744165 | epot = -12.9018220800865 | etot = -9.13334913013859 -9000 ekin = 0.893571390067879 | erot = 2.77649686780605 | epot = -12.8034173876806 | etot = -9.13334912980667 -10000 ekin = 0.891805685056846 | erot = 2.67686855006734 | epot = -12.7020233645916 | etot = -9.13334912946739 -11000 ekin = 0.896243557993589 | erot = 2.57266042063119 | epot = -12.6022531078194 | etot = -9.13334912919466 -12000 ekin = 0.906416039154817 | erot = 2.46827537271556 | epot = -12.5080405408347 | etot = -9.13334912896435 -13000 ekin = 0.921704091778491 | erot = 2.36760645470833 | epot = -12.4226596752787 | etot = -9.13334912879189 -14000 ekin = 0.941405275130078 | erot = 2.27374941641176 | epot = -12.3485038202328 | etot = -9.13334912869101 -15000 ekin = 0.964770892951775 | erot = 2.18876720165113 | epot = -12.2868872232635 | etot = -9.13334912866062 -16000 ekin = 0.991029016801086 | erot = 2.11380018376645 | epot = -12.2381783292304 | etot = -9.13334912866289 -17000 ekin = 1.01940907375712 | erot = 2.04893605182118 | epot = -12.2016942543555 | etot = -9.13334912877717 -18000 ekin = 1.04917923728265 | erot = 1.99335017578101 | epot = -12.1758785419805 | etot = -9.1333491289168 -19000 ekin = 1.07969247848165 | erot = 1.9456993336297 | epot = -12.158740941176 | etot = -9.1333491290647 -20000 ekin = 1.11043268152286 | erot = 1.90411175657083 | epot = -12.1478935672812 | etot = -9.13334912918749 -21000 ekin = 1.14104909735583 | erot = 1.8669588297925 | epot = -12.1413570564146 | etot = -9.13334912926631 -22000 ekin = 1.17136821848099 | erot = 1.83313674901904 | epot = -12.137854096792 | etot = -9.13334912929197 -23000 ekin = 1.20137634097693 | erot = 1.80222523558985 | epot = -12.1369507058331 | etot = -9.13334912926636 -24000 ekin = 1.23117249622899 | erot = 1.77451266102195 | epot = -12.1390342864515 | etot = -9.13334912920057 -25000 ekin = 1.26089526640644 | erot = 1.75088411697598 | epot = -12.1451285124969 | etot = -9.13334912911446 -26000 ekin = 1.29063712254632 | erot = 1.73259428379509 | epot = -12.1565805353676 | etot = -9.13334912902614 -27000 ekin = 1.32035987087029 | erot = 1.72114061671178 | epot = -12.174849616541 | etot = -9.13334912895896 -28000 ekin = 1.34980460658797 | erot = 1.71795709927858 | epot = -12.2011108348018 | etot = -9.13334912893528 -29000 ekin = 1.37841624051162 | erot = 1.72414013785742 | epot = -12.2359055073442 | etot = -9.13334912897515 -30000 ekin = 1.40529015727354 | erot = 1.7401965663967 | epot = -12.2788358527639 | etot = -9.13334912909364 -31000 ekin = 1.42915801743398 | erot = 1.76583252336952 | epot = -12.3283396701001 | etot = -9.13334912929657 -32000 ekin = 1.44843712560542 | erot = 1.79982181745343 | epot = -12.381608072634 | etot = -9.13334912957512 -33000 ekin = 1.4613690466868 | erot = 1.84000474140075 | epot = -12.4347229179884 | etot = -9.13334912990085 -34000 ekin = 1.46625940785515 | erot = 1.8834645985662 | epot = -12.4830731366474 | etot = -9.13334913022609 -35000 ekin = 1.46179739484306 | erot = 1.92688889524941 | epot = -12.5220354205852 | etot = -9.1333491304927 -36000 ekin = 1.44738855724075 | erot = 1.96705754746497 | epot = -12.5477952353504 | etot = -9.13334913064463 -37000 ekin = 1.42340054468548 | erot = 2.00129614949928 | epot = -12.5580458249024 | etot = -9.13334913071763 -38000 ekin = 1.39122781542979 | erot = 2.02761655303766 | epot = -12.5521934990546 | etot = -9.13334913058718 -39000 ekin = 1.35313842096815 | erot = 2.04547852103605 | epot = -12.5319660723435 | etot = -9.13334913033932 -40000 ekin = 1.3119358769936 | erot = 2.05554364627561 | epot = -12.5008286533154 | etot = -9.13334913004622 -41000 ekin = 1.27054093924541 | erot = 2.05894429581373 | epot = -12.4628343648331 | etot = -9.13334912977395 -42000 ekin = 1.23161000992325 | erot = 2.0569489325571 | epot = -12.4219080720068 | etot = -9.13334912952641 -43000 ekin = 1.19723969759492 | erot = 2.0508575807566 | epot = -12.3814464076994 | etot = -9.13334912934792 -44000 ekin = 1.16880185863997 | erot = 2.0417223836063 | epot = -12.3438733714903 | etot = -9.13334912924402 -45000 ekin = 1.14690787175718 | erot = 2.03029950061776 | epot = -12.3105565015798 | etot = -9.13334912920486 -46000 ekin = 1.13147919636051 | erot = 2.01712256175378 | epot = -12.2819508873242 | etot = -9.13334912920993 -47000 ekin = 1.12189300492721 | erot = 2.00264798837262 | epot = -12.2578901225351 | etot = -9.13334912923523 -48000 ekin = 1.11716788112728 | erot = 1.98739120721199 | epot = -12.2379082176346 | etot = -9.13334912929533 -49000 ekin = 1.1161579479525 | erot = 1.9718736810838 | epot = -12.2213807583349 | etot = -9.13334912929863 -50000 ekin = 1.11772326336401 | erot = 1.95708534394633 | epot = -12.2081577365826 | etot = -9.13334912927228 -51000 ekin = 1.12084924497878 | erot = 1.94437394210225 | epot = -12.1985723162997 | etot = -9.1333491292187 -52000 ekin = 1.12470549785255 | erot = 1.93529800314878 | epot = -12.193352630151 | etot = -9.13334912914964 -53000 ekin = 1.12864556674978 | erot = 1.93145365271669 | epot = -12.1934483485498 | etot = -9.13334912908328 -54000 ekin = 1.13216113523089 | erot = 1.93430274875511 | epot = -12.1998130130121 | etot = -9.13334912902615 -55000 ekin = 1.13481106600234 | erot = 1.94490436967246 | epot = -12.2130645647022 | etot = -9.13334912902743 -56000 ekin = 1.13614343535815 | erot = 1.96361884590791 | epot = -12.2331114103531 | etot = -9.13334912908709 -57000 ekin = 1.1356317831128 | erot = 1.99002978527249 | epot = -12.2590106975985 | etot = -9.13334912921326 -58000 ekin = 1.13263976908242 | erot = 2.02286978616499 | epot = -12.2888586846526 | etot = -9.1333491294052 -59000 ekin = 1.1264242611343 | erot = 2.0600441344171 | epot = -12.3198175252029 | etot = -9.13334912965145 -60000 ekin = 1.11618536041532 | erot = 2.09876774945548 | epot = -12.3483022398005 | etot = -9.13334912992969 -61000 ekin = 1.10116810417865 | erot = 2.13581434618271 | epot = -12.3703315805684 | etot = -9.13334913020702 -62000 ekin = 1.08081637521803 | erot = 2.16786879318304 | epot = -12.3820342988433 | etot = -9.13334913044225 -63000 ekin = 1.0549701442815 | erot = 2.19194503254439 | epot = -12.3802643074576 | etot = -9.13334913063172 -64000 ekin = 1.02408601603158 | erot = 2.20562384873134 | epot = -12.363058995418 | etot = -9.13334913065512 -65000 ekin = 0.989434415807708 | erot = 2.20769180278661 | epot = -12.3304753491252 | etot = -9.13334913053086 -66000 ekin = 0.953195593563862 | erot = 2.19842250482632 | epot = -12.2849672286539 | etot = -9.13334913026373 -67000 ekin = 0.918366365968225 | erot = 2.17942400884185 | epot = -12.2311395047049 | etot = -9.1333491298948 -68000 ekin = 0.888467814666231 | erot = 2.15321364358203 | epot = -12.1750305877201 | etot = -9.13334912947183 -69000 ekin = 0.867150037001581 | erot = 2.12288633704373 | epot = -12.1233855031208 | etot = -9.13334912907546 -70000 ekin = 0.857579951604692 | erot = 2.09151913845149 | epot = -12.082448218843 | etot = -9.13334912878685 -71000 ekin = 0.861815425267398 | erot = 2.06157004239557 | epot = -12.0567345963619 | etot = -9.1333491286989 -72000 ekin = 0.880191815685381 | erot = 2.03435275439358 | epot = -12.0478936988731 | etot = -9.13334912879414 -73000 ekin = 0.911201453876584 | erot = 2.00982694750394 | epot = -12.0543775304379 | etot = -9.13334912905734 -74000 ekin = 0.951849895585041 | erot = 1.9868541827262 | epot = -12.0720532077345 | etot = -9.13334912942327 -75000 ekin = 0.99815100864117 | erot = 1.96362530027599 | epot = -12.0951254387264 | etot = -9.13334912980919 -76000 ekin = 1.04581734271588 | erot = 1.93821700241353 | epot = -12.117383475267 | etot = -9.13334913013757 -77000 ekin = 1.09091996835703 | erot = 1.90910715282285 | epot = -12.1333762515352 | etot = -9.13334913035536 -78000 ekin = 1.1303763192792 | erot = 1.87551578135385 | epot = -12.1392412310751 | etot = -9.13334913044201 -79000 ekin = 1.16219588597788 | erot = 1.83750580183261 | epot = -12.1330508182184 | etot = -9.13334913040788 -80000 ekin = 1.18548972632236 | erot = 1.7958594266999 | epot = -12.1146982833063 | etot = -9.13334913028402 -81000 ekin = 1.2003060571896 | erot = 1.7518136593975 | epot = -12.0854688466957 | etot = -9.13334913010857 -82000 ekin = 1.20737786492201 | erot = 1.70676694760222 | epot = -12.047493942439 | etot = -9.13334912991478 -83000 ekin = 1.20786051402077 | erot = 1.66205278152633 | epot = -12.0032624252717 | etot = -9.13334912972465 -84000 ekin = 1.2031099157248 | erot = 1.61882913247322 | epot = -11.9552881777461 | etot = -9.13334912954807 -85000 ekin = 1.19452073297168 | erot = 1.57808043002419 | epot = -11.905950292382 | etot = -9.13334912938609 -86000 ekin = 1.1834210068256 | erot = 1.54069268896236 | epot = -11.8574628250235 | etot = -9.13334912923555 -87000 ekin = 1.17100858957346 | erot = 1.50755090689516 | epot = -11.8119086255617 | etot = -9.13334912909308 -88000 ekin = 1.15831377551682 | erot = 1.47961680456717 | epot = -11.7712797090416 | etot = -9.13334912895765 -89000 ekin = 1.14617682817399 | erot = 1.45796378128887 | epot = -11.7374897382937 | etot = -9.13334912883082 -90000 ekin = 1.1352344796942 | erot = 1.44376438030019 | epot = -11.7123479887108 | etot = -9.13334912871639 -91000 ekin = 1.12591345720549 | erot = 1.4382377250094 | epot = -11.6975003108345 | etot = -9.13334912861963 -92000 ekin = 1.11843099489285 | erot = 1.44256930748509 | epot = -11.6943494309244 | etot = -9.13334912854647 -93000 ekin = 1.11280329634815 | erot = 1.45781524814476 | epot = -11.7039676729951 | etot = -9.13334912850217 -94000 ekin = 1.1088620912734 | erot = 1.48480045701867 | epot = -11.7270116767841 | etot = -9.13334912849204 -95000 ekin = 1.10627886010341 | erot = 1.52396220647534 | epot = -11.7635901951105 | etot = -9.1333491285317 -96000 ekin = 1.10459509814424 | erot = 1.57519859223417 | epot = -11.8131428189843 | etot = -9.13334912860592 -97000 ekin = 1.10325943769906 | erot = 1.63800664193794 | epot = -11.8746152083616 | etot = -9.13334912872458 -98000 ekin = 1.10166959581646 | erot = 1.71130689804965 | epot = -11.9463256227537 | etot = -9.13334912888763 -99000 ekin = 1.09921849385163 | erot = 1.79339905630357 | epot = -12.025966679247 | etot = -9.13334912909177 -100000 ekin = 1.09534596880106 | erot = 1.88196872528567 | epot = -12.110663823416 | etot = -9.13334912932925 -101000 ekin = 1.08959720755117 | erot = 1.9741561693145 | epot = -12.1971025064518 | etot = -9.13334912958617 -102000 ekin = 1.08168751154815 | erot = 2.06670282185174 | epot = -12.2817394632424 | etot = -9.13334912984251 -103000 ekin = 1.07156932342314 | erot = 2.1561819250806 | epot = -12.3611003785771 | etot = -9.13334913007335 -104000 ekin = 1.05949237996071 | erot = 2.23930158373566 | epot = -12.4321430939484 | etot = -9.13334913025202 -105000 ekin = 1.04604342224876 | erot = 2.31323902285848 | epot = -12.4926315754929 | etot = -9.13334913038569 -106000 ekin = 1.03224316318559 | erot = 2.37579242095986 | epot = -12.5413847145642 | etot = -9.13334913041873 -107000 ekin = 1.01951120148931 | erot = 2.4258560374057 | epot = -12.5787163692801 | etot = -9.13334913038512 -108000 ekin = 1.00875017477207 | erot = 2.46348952984498 | epot = -12.6055888348734 | etot = -9.13334913025635 -109000 ekin = 1.00109573552394 | erot = 2.48980806114977 | epot = -12.6242529267277 | etot = -9.13334913005403 -110000 ekin = 0.997931591358088 | erot = 2.5067391861081 | epot = -12.6380199072774 | etot = -9.13334912981123 -111000 ekin = 1.00076792351317 | erot = 2.51665915373057 | epot = -12.6507762068075 | etot = -9.13334912956375 -112000 ekin = 1.01109610479921 | erot = 2.52200701599672 | epot = -12.666452250139 | etot = -9.13334912934309 -113000 ekin = 1.03019016817876 | erot = 2.52496101252908 | epot = -12.6885003099862 | etot = -9.13334912927831 -114000 ekin = 1.05821017520619 | erot = 2.52722573627543 | epot = -12.7187850407016 | etot = -9.13334912922002 -115000 ekin = 1.09472530400134 | erot = 2.53003930448858 | epot = -12.7581137377194 | etot = -9.13334912922944 -116000 ekin = 1.13884650903324 | erot = 2.5341483243048 | epot = -12.806343962644 | etot = -9.13334912930592 -117000 ekin = 1.18909444999475 | erot = 2.53980839277165 | epot = -12.862251972215 | etot = -9.13334912944864 -118000 ekin = 1.24341490970464 | erot = 2.54678348242668 | epot = -12.923547521787 | etot = -9.13334912965564 -119000 ekin = 1.29923662064181 | erot = 2.55432909401041 | epot = -12.9869148445731 | etot = -9.13334912992093 -120000 ekin = 1.35358959215635 | erot = 2.56118615921826 | epot = -13.0481248816038 | etot = -9.13334913022922 -121000 ekin = 1.40329803815439 | erot = 2.56563135861683 | epot = -13.1022785273255 | etot = -9.1333491305543 -122000 ekin = 1.445246921966 | erot = 2.56562448409245 | epot = -13.1442205369173 | etot = -9.1333491308589 -123000 ekin = 1.47669540804816 | erot = 2.55906317998218 | epot = -13.169107719131 | etot = -9.13334913110063 -124000 ekin = 1.49558302658146 | erot = 2.5441110594373 | epot = -13.1730432172611 | etot = -9.13334913124231 -125000 ekin = 1.50076122489725 | erot = 2.51952798471315 | epot = -13.1536383408711 | etot = -9.13334913126073 -126000 ekin = 1.492147286847 | erot = 2.48515933103523 | epot = -13.1106557490372 | etot = -9.13334913115495 -127000 ekin = 1.47053410713945 | erot = 2.4417448007513 | epot = -13.0456280388473 | etot = -9.13334913095659 -128000 ekin = 1.43743445323496 | erot = 2.39059049317552 | epot = -12.9613740770757 | etot = -9.13334913066523 -129000 ekin = 1.39501109707047 | erot = 2.33380120125823 | epot = -12.8621614286434 | etot = -9.13334913031469 -130000 ekin = 1.34584042016749 | erot = 2.27401545397179 | epot = -12.7532050040791 | etot = -9.13334912993986 -131000 ekin = 1.2926893078659 | erot = 2.21410134111226 | epot = -12.6401397785506 | etot = -9.13334912957246 -132000 ekin = 1.23832315616827 | erot = 2.15686384200888 | epot = -12.5285361274153 | etot = -9.13334912923812 -133000 ekin = 1.18535267681206 | erot = 2.10479906741761 | epot = -12.4235008731851 | etot = -9.13334912895546 -134000 ekin = 1.13612155562826 | erot = 2.05991346428631 | epot = -12.3293841486505 | etot = -9.13334912873589 -135000 ekin = 1.0926326232607 | erot = 2.02360952444368 | epot = -12.2495912762905 | etot = -9.13334912858609 -136000 ekin = 1.05650575788368 | erot = 1.99662030668685 | epot = -12.1864751930781 | etot = -9.13334912850755 -137000 ekin = 1.02895878679479 | erot = 1.97899212834889 | epot = -12.1413000436434 | etot = -9.13334912849973 -138000 ekin = 1.01080388995871 | erot = 1.97013512172236 | epot = -12.1142881402333 | etot = -9.13334912855227 -139000 ekin = 1.0024545939537 | erot = 1.96888144460879 | epot = -12.1046851672404 | etot = -9.13334912867795 -140000 ekin = 1.00393780740642 | erot = 1.97333010973457 | epot = -12.1106170460029 | etot = -9.13334912886192 -141000 ekin = 1.01490973367055 | erot = 1.981045309448 | epot = -12.1293041722138 | etot = -9.1333491290952 -142000 ekin = 1.03468044934438 | erot = 1.98917872502441 | epot = -12.1572083037337 | etot = -9.13334912936491 -143000 ekin = 1.06225104646194 | erot = 1.99463134790794 | epot = -12.1902315240233 | etot = -9.13334912965338 -144000 ekin = 1.09636709127268 | erot = 1.99441220318412 | epot = -12.2241284243805 | etot = -9.13334912992373 -145000 ekin = 1.13559045362138 | erot = 1.98572590466025 | epot = -12.2546654884644 | etot = -9.13334913018274 -146000 ekin = 1.17838854122105 | erot = 1.96612892354279 | epot = -12.2778665951536 | etot = -9.1333491303898 -147000 ekin = 1.22300699749193 | erot = 1.93405129395002 | epot = -12.290407421963 | etot = -9.1333491305211 -148000 ekin = 1.2678567786303 | erot = 1.8889162135087 | epot = -12.2901221226999 | etot = -9.13334913056086 -149000 ekin = 1.3117055148731 | erot = 1.83123494690898 | epot = -12.2762895922886 | etot = -9.13334913050653 -150000 ekin = 1.35361858091208 | erot = 1.76263607509641 | epot = -12.2496037863729 | etot = -9.1333491303644 -151000 ekin = 1.39299848911435 | erot = 1.68572491420636 | epot = -12.2120725334744 | etot = -9.13334913015369 -152000 ekin = 1.42958376961917 | erot = 1.60381549112361 | epot = -12.1667483906421 | etot = -9.13334912989933 -153000 ekin = 1.46340801747597 | erot = 1.52060159601932 | epot = -12.1173587431246 | etot = -9.13334912962934 -154000 ekin = 1.49472650224563 | erot = 1.43981503875286 | epot = -12.0678906703689 | etot = -9.13334912937042 -155000 ekin = 1.52392161825078 | erot = 1.36491657683223 | epot = -12.0221873242284 | etot = -9.13334912914537 -156000 ekin = 1.55140022159552 | erot = 1.29884972381827 | epot = -11.9835990743854 | etot = -9.13334912897165 -157000 ekin = 1.57749707056581 | erot = 1.24387068637226 | epot = -11.9547168857972 | etot = -9.13334912885911 -158000 ekin = 1.60239506185774 | erot = 1.20145363967813 | epot = -11.9371978303523 | etot = -9.13334912881643 -159000 ekin = 1.62604462003774 | erot = 1.17226436760495 | epot = -11.9316581164847 | etot = -9.13334912884197 -160000 ekin = 1.64813303486531 | erot = 1.15619534708311 | epot = -11.9376775108796 | etot = -9.1333491289312 -161000 ekin = 1.66807327612962 | erot = 1.15245312716187 | epot = -11.9538755323658 | etot = -9.1333491290743 -162000 ekin = 1.68501875283037 | erot = 1.159694715128 | epot = -11.9780625972156 | etot = -9.13334912925725 -163000 ekin = 1.69790620824652 | erot = 1.17620989126099 | epot = -12.0074652289689 | etot = -9.13334912946138 -164000 ekin = 1.70552711798371 | erot = 1.20014309389824 | epot = -12.0390193415463 | etot = -9.13334912966436 -165000 ekin = 1.70662691809321 | erot = 1.22974121417715 | epot = -12.0697172621122 | etot = -9.13334912984189 -166000 ekin = 1.70002908026819 | erot = 1.26360423252405 | epot = -12.0969824427627 | etot = -9.13334912997049 -167000 ekin = 1.68477683955853 | erot = 1.30090518403758 | epot = -12.1190311536263 | etot = -9.13334913003015 -168000 ekin = 1.66027923283156 | erot = 1.34154370359067 | epot = -12.1351720664304 | etot = -9.13334913000821 -169000 ekin = 1.62644124957699 | erot = 1.38619810991388 | epot = -12.1459884893937 | etot = -9.13334912990282 -170000 ekin = 1.58375251890748 | erot = 1.43625221626181 | epot = -12.1533538648945 | etot = -9.13334912972517 -171000 ekin = 1.53331003043903 | erot = 1.49359459893396 | epot = -12.1602537588719 | etot = -9.13334912949887 -172000 ekin = 1.47676106161383 | erot = 1.56031583407029 | epot = -12.1704260249397 | etot = -9.13334912925555 -173000 ekin = 1.41695754705511 | erot = 1.63848249765397 | epot = -12.1887891730442 | etot = -9.13334912833508 -174000 ekin = 1.35937684304471 | erot = 1.72968793645222 | epot = -12.2224139078249 | etot = -9.13334912832797 -175000 ekin = 1.30537540818802 | erot = 1.83369980102243 | epot = -12.2724243375749 | etot = -9.13334912836449 -176000 ekin = 1.25571357800298 | erot = 1.94952726339927 | epot = -12.3385899698485 | etot = -9.13334912844629 -177000 ekin = 1.21104692225309 | erot = 2.07558802224364 | epot = -12.4199840730636 | etot = -9.1333491285669 -178000 ekin = 1.17189512057036 | erot = 2.2097607957462 | epot = -12.5150050450636 | etot = -9.13334912874707 -179000 ekin = 1.13864315857374 | erot = 2.34949890132865 | epot = -12.6214911888111 | etot = -9.13334912890866 -180000 ekin = 1.11156621835598 | erot = 2.4923400853998 | epot = -12.7372554328242 | etot = -9.13334912906842 -181000 ekin = 1.0908716761359 | erot = 2.63567357536115 | epot = -12.8598943807494 | etot = -9.13334912925236 -182000 ekin = 1.07675226579844 | erot = 2.77693577183306 | epot = -12.9870371670188 | etot = -9.13334912938731 -183000 ekin = 1.06942294234155 | erot = 2.91405263083415 | epot = -13.1168247026758 | etot = -9.13334912950007 -184000 ekin = 1.0691348870584 | erot = 3.04520163111632 | epot = -13.2476856477696 | etot = -9.13334912959489 -185000 ekin = 1.0761434592279 | erot = 3.16875772929896 | epot = -13.378250318212 | etot = -9.13334912968513 -186000 ekin = 1.09060563376748 | erot = 3.28317984154828 | epot = -13.5071346051097 | etot = -9.13334912979392 -187000 ekin = 1.11239929858147 | erot = 3.38683780589062 | epot = -13.6325862344239 | etot = -9.13334912995184 -188000 ekin = 1.1408883756264 | erot = 3.47780595660488 | epot = -13.7520434624192 | etot = -9.13334913018788 -189000 ekin = 1.17469755695846 | erot = 3.55369218298226 | epot = -13.8617388704564 | etot = -9.13334913051572 -190000 ekin = 1.21158961983337 | erot = 3.61161008256056 | epot = -13.9565488333127 | etot = -9.13334913091872 -191000 ekin = 1.24837558083726 | erot = 3.64780345127543 | epot = -14.0295281634881 | etot = -9.13334913137539 -192000 ekin = 1.28102311682962 | erot = 3.65810395428988 | epot = -14.0724762027871 | etot = -9.13334913166757 -193000 ekin = 1.30598320816986 | erot = 3.64139295006496 | epot = -14.0807252900249 | etot = -9.13334913179008 -194000 ekin = 1.32049648836633 | erot = 3.59844552363043 | epot = -14.0522911436922 | etot = -9.13334913169544 -195000 ekin = 1.32298604774291 | erot = 3.53212928134959 | epot = -13.9884644604293 | etot = -9.1333491313368 -196000 ekin = 1.31323645162591 | erot = 3.44751612705322 | epot = -13.8941017095235 | etot = -9.13334913084437 -197000 ekin = 1.2922893469817 | erot = 3.35072340322515 | epot = -13.7763618804991 | etot = -9.13334913029223 -198000 ekin = 1.2621263378666 | erot = 3.24789114382012 | epot = -13.6433666114233 | etot = -9.13334912973653 -199000 ekin = 1.22527047461745 | erot = 3.14483705467225 | epot = -13.5034566585633 | etot = -9.13334912927362 -200000 ekin = 1.18441799207266 | erot = 3.0459424596301 | epot = -13.3637095806219 | etot = -9.13334912891918 -201000 ekin = 1.14216630511974 | erot = 2.95390025492367 | epot = -13.2294156887273 | etot = -9.13334912868395 -202000 ekin = 1.10084220211772 | erot = 2.86987712396355 | epot = -13.1040684546435 | etot = -9.13334912856227 -203000 ekin = 1.06240856569037 | erot = 2.79366067226837 | epot = -12.9894183664998 | etot = -9.13334912854109 -204000 ekin = 1.02841768821243 | erot = 2.72389144275518 | epot = -12.885658259572 | etot = -9.1333491286044 -205000 ekin = 0.999988405220968 | erot = 2.65832732458324 | epot = -12.791664858539 | etot = -9.13334912873479 -206000 ekin = 0.97779962122531 | erot = 2.59412391514203 | epot = -12.7052726652799 | etot = -9.13334912891257 -207000 ekin = 0.962105653965551 | erot = 2.52813792126136 | epot = -12.6235927043399 | etot = -9.13334912911301 -208000 ekin = 0.952783648018979 | erot = 2.45726642892335 | epot = -12.5433992062488 | etot = -9.13334912930652 -209000 ekin = 0.949416945748643 | erot = 2.37882137049751 | epot = -12.4615874457068 | etot = -9.13334912946065 -210000 ekin = 0.951402263215311 | erot = 2.29090939419261 | epot = -12.3756607869545 | etot = -9.1333491295466 -211000 ekin = 0.95805195207769 | erot = 2.19275562021934 | epot = -12.284156701844 | etot = -9.13334912954697 -212000 ekin = 0.96865966770056 | erot = 2.08489619855888 | epot = -12.1869049957201 | etot = -9.13334912946064 -213000 ekin = 0.982515908120043 | erot = 1.96918422281076 | epot = -12.0850492602329 | etot = -9.13334912930206 -214000 ekin = 0.998888701919842 | erot = 1.84860041862008 | epot = -11.980838249636 | etot = -9.1333491290961 -215000 ekin = 1.01700134912577 | erot = 1.7269089749226 | epot = -11.8772594529197 | etot = -9.13334912887134 -216000 ekin = 1.03603050122463 | erot = 1.60822693577909 | epot = -11.777606565659 | etot = -9.13334912865524 -217000 ekin = 1.05512477228481 | erot = 1.49657917533873 | epot = -11.6850530760954 | etot = -9.13334912847187 -218000 ekin = 1.07342860744196 | erot = 1.39550092670247 | epot = -11.602278662484 | etot = -9.13334912833954 -219000 ekin = 1.09009860355589 | erot = 1.3077352195161 | epot = -11.5311829513411 | etot = -9.13334912826914 -220000 ekin = 1.10431207607363 | erot = 1.23505496062928 | epot = -11.4727161649659 | etot = -9.133349128263 -221000 ekin = 1.11527717993061 | erot = 1.17821867809278 | epot = -11.4268449863379 | etot = -9.13334912831453 -222000 ekin = 1.12225437592987 | erot = 1.13704823944161 | epot = -11.3926517437815 | etot = -9.13334912841006 -223000 ekin = 1.12459297621425 | erot = 1.11060060825111 | epot = -11.3685427129972 | etot = -9.13334912853179 -224000 ekin = 1.12177911879631 | erot = 1.0973962554392 | epot = -11.352524502896 | etot = -9.13334912866047 -225000 ekin = 1.11348637905768 | erot = 1.09566402531922 | epot = -11.3424995331557 | etot = -9.13334912877881 -226000 ekin = 1.09961800000719 | erot = 1.10360909760931 | epot = -11.336576226485 | etot = -9.13334912886849 -227000 ekin = 1.08033165066233 | erot = 1.11952730043393 | epot = -11.3332080800317 | etot = -9.13334912893547 -228000 ekin = 1.05604602872796 | erot = 1.14187865421847 | epot = -11.3312738119169 | etot = -9.13334912897043 -229000 ekin = 1.02742418663523 | erot = 1.16938489301661 | epot = -11.3301582086283 | etot = -9.13334912897648 -230000 ekin = 0.995339184991744 | erot = 1.20102048198601 | epot = -11.3297087959367 | etot = -9.1333491289589 -231000 ekin = 0.960829492708849 | erot = 1.23597735762291 | epot = -11.3301559792542 | etot = -9.13334912892242 -232000 ekin = 0.925050432735381 | erot = 1.27360958612375 | epot = -11.3320091477352 | etot = -9.13334912887609 -233000 ekin = 0.889225435959855 | erot = 1.31337910210623 | epot = -11.3359536668891 | etot = -9.13334912882302 -234000 ekin = 0.854600006628786 | erot = 1.35483402381913 | epot = -11.3427831592146 | etot = -9.13334912876667 -235000 ekin = 0.822390924845215 | erot = 1.3975743001583 | epot = -11.3533143537191 | etot = -9.13334912871561 -236000 ekin = 0.793732848711805 | erot = 1.44121433399063 | epot = -11.3682963113761 | etot = -9.13334912867363 -237000 ekin = 0.769632191219349 | erot = 1.48535644446062 | epot = -11.3883377643262 | etot = -9.13334912864621 -238000 ekin = 0.750918993365892 | erot = 1.52956143549207 | epot = -11.4138295574954 | etot = -9.13334912863744 -239000 ekin = 0.738206267496996 | erot = 1.57333361162144 | epot = -11.4448890077674 | etot = -9.13334912864894 -240000 ekin = 0.731862193743759 | erot = 1.61613149974219 | epot = -11.4813428221651 | etot = -9.13334912867916 -241000 ekin = 0.731999328001761 | erot = 1.65741090456851 | epot = -11.522759361293 | etot = -9.13334912872275 -242000 ekin = 0.738482620157007 | erot = 1.69669130986299 | epot = -11.5685230587937 | etot = -9.13334912877373 -243000 ekin = 0.750955042325049 | erot = 1.73364929482313 | epot = -11.6179534659678 | etot = -9.13334912881964 -244000 ekin = 0.768877080466256 | erot = 1.7682236027561 | epot = -11.6704498120765 | etot = -9.13334912885413 -245000 ekin = 0.791573929294277 | erot = 1.8006804512131 | epot = -11.7256035093788 | etot = -9.13334912887145 -246000 ekin = 0.818282914271192 | erot = 1.83164107445171 | epot = -11.7832731175935 | etot = -9.13334912887059 -247000 ekin = 0.848193621601337 | erot = 1.86205096555236 | epot = -11.8435937160095 | etot = -9.13334912885584 -248000 ekin = 0.880474358635153 | erot = 1.89308546777788 | epot = -11.9069089552495 | etot = -9.13334912883646 -249000 ekin = 0.914280881218948 | erot = 1.92599713223883 | epot = -11.9736271422837 | etot = -9.13334912882589 -250000 ekin = 0.948746730716193 | erot = 1.96192054843726 | epot = -12.0440164079936 | etot = -9.13334912884018 -251000 ekin = 0.982959063854097 | erot = 2.00165977259901 | epot = -12.117967965348 | etot = -9.13334912889492 -252000 ekin = 1.01592948249834 | erot = 2.04549252396365 | epot = -12.1947711354631 | etot = -9.13334912900107 -253000 ekin = 1.04657777483967 | erot = 2.09303441305961 | epot = -12.2729613170592 | etot = -9.13334912915988 -254000 ekin = 1.07373541755064 | erot = 2.14319803018447 | epot = -12.3502825770981 | etot = -9.13334912936302 -255000 ekin = 1.09620163163021 | erot = 2.19430966720544 | epot = -12.4238604284173 | etot = -9.13334912958161 -256000 ekin = 1.11287206428147 | erot = 2.24438579427432 | epot = -12.4906069883386 | etot = -9.13334912978282 -257000 ekin = 1.12287782510627 | erot = 2.29146665865402 | epot = -12.5476936136917 | etot = -9.13334912993145 -258000 ekin = 1.1257229350027 | erot = 2.33396623628263 | epot = -12.5930383012894 | etot = -9.13334913000407 -259000 ekin = 1.12139026023651 | erot = 2.37095948468542 | epot = -12.6256988749108 | etot = -9.13334912998886 -260000 ekin = 1.11036122819336 | erot = 2.40229658115378 | epot = -12.6460069392473 | etot = -9.13334912990019 -261000 ekin = 1.09354805445089 | erot = 2.42847877902912 | epot = -12.6553759632423 | etot = -9.13334912976232 -262000 ekin = 1.07216031825802 | erot = 2.45046938603017 | epot = -12.6559788338922 | etot = -9.13334912960406 -263000 ekin = 1.0475436871831 | erot = 2.46943297797184 | epot = -12.6503257946118 | etot = -9.13334912945687 -264000 ekin = 1.02102495133846 | erot = 2.48647844637136 | epot = -12.6408525270502 | etot = -9.13334912934037 -265000 ekin = 0.993788783443776 | erot = 2.50247063136386 | epot = -12.6296085440766 | etot = -9.133349129269 -266000 ekin = 0.966800247930049 | erot = 2.51790683905006 | epot = -12.6180562162301 | etot = -9.13334912924995 -267000 ekin = 0.940784249459332 | erot = 2.53283827184806 | epot = -12.6069716505893 | etot = -9.13334912928195 -268000 ekin = 0.916272152394485 | erot = 2.54684612152499 | epot = -12.5964674032728 | etot = -9.13334912935337 -269000 ekin = 0.893722172477293 | erot = 2.55907244306945 | epot = -12.5861437450343 | etot = -9.13334912948759 -270000 ekin = 0.873709285128899 | erot = 2.56799722891213 | epot = -12.5750556436016 | etot = -9.13334912956054 -271000 ekin = 0.857156433251465 | erot = 2.57226369508347 | epot = -12.5627692579077 | etot = -9.13334912957277 -272000 ekin = 0.845541083723895 | erot = 2.57096110909448 | epot = -12.5498513223266 | etot = -9.13334912950826 -273000 ekin = 0.840983736969595 | erot = 2.56364270819374 | epot = -12.5379755745175 | etot = -9.13334912935415 -274000 ekin = 0.846103061110329 | erot = 2.5505449718359 | epot = -12.5299971620895 | etot = -9.13334912914328 -275000 ekin = 0.8635707412448 | erot = 2.53260377851052 | epot = -12.5295236486813 | etot = -9.13334912892599 -276000 ekin = 0.895419299415128 | erot = 2.51114645014782 | epot = -12.5399148783706 | etot = -9.13334912880768 -277000 ekin = 0.942302359418684 | erot = 2.48734970425694 | epot = -12.5630011925123 | etot = -9.13334912883671 -278000 ekin = 1.00299069941579 | erot = 2.46199112036428 | epot = -12.59833094881 | etot = -9.13334912902996 -279000 ekin = 1.07434561589251 | erot = 2.43529774590787 | epot = -12.6429924911401 | etot = -9.13334912933968 -280000 ekin = 1.15182340984025 | erot = 2.40711596365544 | epot = -12.6922885031805 | etot = -9.1333491296848 -281000 ekin = 1.23030856581814 | erot = 2.3772696475126 | epot = -12.7409273433241 | etot = -9.13334912999334 -282000 ekin = 1.3048397487977 | erot = 2.34551973870795 | epot = -12.783708617699 | etot = -9.13334913019334 -283000 ekin = 1.37151257999445 | erot = 2.31231452819901 | epot = -12.8171762384384 | etot = -9.13334913024492 -284000 ekin = 1.42789685319388 | erot = 2.27901843146217 | epot = -12.8402644148118 | etot = -9.13334913015571 -285000 ekin = 1.47299679574469 | erot = 2.24762833985829 | epot = -12.8539742655641 | etot = -9.13334912996108 -286000 ekin = 1.50701906587704 | erot = 2.22050056283338 | epot = -12.8608687584217 | etot = -9.13334912971131 -287000 ekin = 1.53099472144769 | erot = 2.19999584806509 | epot = -12.8643396989723 | etot = -9.13334912945952 -288000 ekin = 1.5463644976888 | erot = 2.18811490987502 | epot = -12.867828536815 | etot = -9.13334912925118 -289000 ekin = 1.55461163491209 | erot = 2.18618804174359 | epot = -12.8741488057736 | etot = -9.1333491291179 -290000 ekin = 1.55699428674678 | erot = 2.19466879450596 | epot = -12.8850122103268 | etot = -9.13334912907411 -291000 ekin = 1.55439775255655 | erot = 2.21306131817982 | epot = -12.9008081998535 | etot = -9.13334912911716 -292000 ekin = 1.54729960240269 | erot = 2.23998314421976 | epot = -12.920631875854 | etot = -9.13334912923156 -293000 ekin = 1.53582108608416 | erot = 2.27333490842362 | epot = -12.9425051239026 | etot = -9.13334912939478 -294000 ekin = 1.51982864506192 | erot = 2.31049721096853 | epot = -12.9636749856261 | etot = -9.13334912959569 -295000 ekin = 1.4990515421335 | erot = 2.34851873983924 | epot = -12.9809194117666 | etot = -9.13334912979385 -296000 ekin = 1.47319364802825 | erot = 2.38443281021054 | epot = -12.990975588222 | etot = -9.13334912998318 -297000 ekin = 1.44203124546003 | erot = 2.41536854589925 | epot = -12.9907489215098 | etot = -9.13334913015052 -298000 ekin = 1.40549976702121 | erot = 2.43867409046074 | epot = -12.9775229877651 | etot = -9.13334913028317 -299000 ekin = 1.36377241662837 | erot = 2.45204871800424 | epot = -12.9491702650002 | etot = -9.13334913036758 -300000 ekin = 1.31732711912191 | erot = 2.45368408092553 | epot = -12.9043603304389 | etot = -9.13334913039146 -301000 ekin = 1.26699022414752 | erot = 2.44240353914579 | epot = -12.84274289364 | etot = -9.13334913034668 -302000 ekin = 1.21394210637188 | erot = 2.4177727859295 | epot = -12.7650640225334 | etot = -9.13334913023199 -303000 ekin = 1.15967414429359 | erot = 2.38015189683651 | epot = -12.6731751711848 | etot = -9.13334913005473 -304000 ekin = 1.10589726251319 | erot = 2.3306693961817 | epot = -12.5699157885247 | etot = -9.1333491298298 -305000 ekin = 1.05441504199283 | erot = 2.27111808933723 | epot = -12.4588822609067 | etot = -9.13334912957668 -306000 ekin = 1.00698421397173 | erot = 2.2037921851408 | epot = -12.3441255284281 | etot = -9.13334912931559 -307000 ekin = 0.965188337627791 | erot = 2.13129764385447 | epot = -12.229835110546 | etot = -9.13334912906376 -308000 ekin = 0.930345631944718 | erot = 2.05636814615618 | epot = -12.1200629069343 | etot = -9.13334912883336 -309000 ekin = 0.903461768093194 | erot = 1.98167791132931 | epot = -12.0184888080555 | etot = -9.13334912863296 -310000 ekin = 0.885228515008207 | erot = 1.9096787021164 | epot = -11.9282563455899 | etot = -9.13334912846534 -311000 ekin = 0.876047647700639 | erot = 1.84263812610115 | epot = -11.8520349021347 | etot = -9.1333491283329 -312000 ekin = 0.876068182199122 | erot = 1.78248869456952 | epot = -11.7919060050077 | etot = -9.13334912823909 -313000 ekin = 0.885223985969969 | erot = 1.7307289288228 | epot = -11.7493020429826 | etot = -9.13334912818982 -314000 ekin = 0.903258342515117 | erot = 1.68832066988407 | epot = -11.7249281405914 | etot = -9.13334912819223 -315000 ekin = 0.92973139171837 | erot = 1.65558558099762 | epot = -11.7186661009697 | etot = -9.13334912825367 -316000 ekin = 0.964013828970545 | erot = 1.63211973509071 | epot = -11.7294826924401 | etot = -9.13334912837886 -317000 ekin = 1.00527629211658 | erot = 1.61675326466501 | epot = -11.7553786853486 | etot = -9.133349128567 -318000 ekin = 1.05248736450112 | erot = 1.60758570940595 | epot = -11.7934222027158 | etot = -9.13334912880877 -319000 ekin = 1.10443332868111 | erot = 1.60212494474541 | epot = -11.8399074025113 | etot = -9.13334912908479 -320000 ekin = 1.15976924920803 | erot = 1.59754526105434 | epot = -11.8906636396275 | etot = -9.13334912936512 -321000 ekin = 1.21710352305647 | erot = 1.59105554518199 | epot = -11.9415081978524 | etot = -9.1333491296139 -322000 ekin = 1.27510751189443 | erot = 1.58033324923121 | epot = -11.9887898909205 | etot = -9.13334912979485 -323000 ekin = 1.33263084645681 | erot = 1.56394390937376 | epot = -12.0299238857109 | etot = -9.13334912988034 -324000 ekin = 1.38879590712182 | erot = 1.54164678485274 | epot = -12.0637918218341 | etot = -9.13334912985956 -325000 ekin = 1.44304623679676 | erot = 1.51450056885298 | epot = -12.0908959353913 | etot = -9.13334912974154 -326000 ekin = 1.49513435445649 | erot = 1.48473073066082 | epot = -12.1132142146708 | etot = -9.13334912955353 -327000 ekin = 1.54505065938314 | erot = 1.45538400860374 | epot = -12.1337837973217 | etot = -9.13334912933481 -328000 ekin = 1.59290981434222 | erot = 1.42984788209372 | epot = -12.1561068255641 | etot = -9.13334912912813 -329000 ekin = 1.63881860975595 | erot = 1.41133335467821 | epot = -12.1835010934066 | etot = -9.13334912897247 -330000 ekin = 1.68274896183067 | erot = 1.40240729591368 | epot = -12.2185053866423 | etot = -9.13334912889792 -331000 ekin = 1.72443467169541 | erot = 1.40463116342043 | epot = -12.2624149640398 | etot = -9.13334912892392 -332000 ekin = 1.76330533674306 | erot = 1.41833479327466 | epot = -12.3149892590748 | etot = -9.13334912905709 -333000 ekin = 1.79846823309272 | erot = 1.44253834966228 | epot = -12.3743557120448 | etot = -9.13334912928976 -334000 ekin = 1.82874900591091 | erot = 1.47503277033851 | epot = -12.4371309058479 | etot = -9.13334912959843 -335000 ekin = 1.85279616115815 | erot = 1.51263570197495 | epot = -12.4987809930766 | etot = -9.13334912994346 -336000 ekin = 1.86927630558769 | erot = 1.55160162438146 | epot = -12.5542270602388 | etot = -9.13334913026965 -337000 ekin = 1.87711735413928 | erot = 1.58820049773309 | epot = -12.5986669823879 | etot = -9.13334913051552 -338000 ekin = 1.8757484092316 | erot = 1.6193886872291 | epot = -12.6284862270853 | etot = -9.13334913062456 -339000 ekin = 1.86534866362714 | erot = 1.64338736517832 | epot = -12.6420851593669 | etot = -9.13334913056142 -340000 ekin = 1.84695798886988 | erot = 1.66009075059751 | epot = -12.6403978697905 | etot = -9.13334913032312 -341000 ekin = 1.82243969076644 | erot = 1.67114820362586 | epot = -12.6269370243339 | etot = -9.13334912994157 -342000 ekin = 1.79428655955874 | erot = 1.67969211618902 | epot = -12.6073278052238 | etot = -9.133349129476 -343000 ekin = 1.76531632972536 | erot = 1.68978090506872 | epot = -12.5884463637908 | etot = -9.1333491289967 -344000 ekin = 1.73833039739277 | erot = 1.70570000747006 | epot = -12.5773795334332 | etot = -9.13334912857035 -345000 ekin = 1.71580589060262 | erot = 1.73127559556322 | epot = -12.580430614415 | etot = -9.13334912824918 -346000 ekin = 1.69966353097581 | erot = 1.7693123493474 | epot = -12.6023250083908 | etot = -9.13334912806759 -347000 ekin = 1.69112042623267 | erot = 1.82120184302259 | epot = -12.6456713972998 | etot = -9.13334912804452 -348000 ekin = 1.69061396982738 | erot = 1.88669704033596 | epot = -12.7106601383503 | etot = -9.13334912818693 -349000 ekin = 1.69777681788179 | erot = 1.96382926866177 | epot = -12.7949552150348 | etot = -9.13334912849127 -350000 ekin = 1.71145115010227 | erot = 2.04895591402528 | epot = -12.8937561930704 | etot = -9.13334912894289 -351000 ekin = 1.72974629646146 | erot = 2.1369563691048 | epot = -13.0000517950767 | etot = -9.13334912951043 -352000 ekin = 1.75015893903906 | erot = 2.22162008456579 | epot = -13.1051281537452 | etot = -9.13334913014033 -353000 ekin = 1.76978034905526 | erot = 2.29627029645936 | epot = -13.1993997762715 | etot = -9.13334913075683 -354000 ekin = 1.78560210911934 | erot = 2.35462017023363 | epot = -13.2735714106202 | etot = -9.13334913126719 -355000 ekin = 1.79489785472827 | erot = 2.39176336004102 | epot = -13.3200103463511 | etot = -9.13334913158185 -356000 ekin = 1.79561393246587 | erot = 2.40509186859446 | epot = -13.3340549326997 | etot = -9.13334913163939 -357000 ekin = 1.78667091072642 | erot = 2.39487614134841 | epot = -13.3148961835033 | etot = -9.13334913142845 -358000 ekin = 1.76810167230534 | erot = 2.36429897994076 | epot = -13.2657497831712 | etot = -9.13334913092509 -359000 ekin = 1.74170569044722 | erot = 2.31907684809554 | epot = -13.1941316689282 | etot = -9.13334913038545 -360000 ekin = 1.70943632676221 | erot = 2.26611368397208 | epot = -13.1088991405415 | etot = -9.13334912980724 -361000 ekin = 1.6731500596548 | erot = 2.21234166615765 | epot = -13.0188408550993 | etot = -9.13334912928682 -362000 ekin = 1.634809940016 | erot = 2.16376887379865 | epot = -12.9319279427069 | etot = -9.13334912889222 -363000 ekin = 1.59622606057565 | erot = 2.12469986683786 | epot = -12.8542750560711 | etot = -9.13334912865763 -364000 ekin = 1.55890205833807 | erot = 2.09734631559797 | epot = -12.7895975025222 | etot = -9.13334912858612 -365000 ekin = 1.52397421076796 | erot = 2.08181308416692 | epot = -12.739136423592 | etot = -9.13334912865715 -366000 ekin = 1.49221260734036 | erot = 2.07639009796169 | epot = -12.7019518341359 | etot = -9.13334912883381 -367000 ekin = 1.46405952364985 | erot = 2.07805510122118 | epot = -12.6754637539441 | etot = -9.13334912907312 -368000 ekin = 1.43967726932424 | erot = 2.08307216057543 | epot = -12.656098559234 | etot = -9.13334912933437 -369000 ekin = 1.41899010811527 | erot = 2.08756917147217 | epot = -12.6399084091733 | etot = -9.13334912958585 -370000 ekin = 1.40171557356816 | erot = 2.08800173652823 | epot = -12.6230664399027 | etot = -9.1333491298063 -371000 ekin = 1.38739280854927 | erot = 2.08146226240579 | epot = -12.6022042009378 | etot = -9.1333491299827 -372000 ekin = 1.37542340308652 | erot = 2.0658519370229 | epot = -12.5746244702144 | etot = -9.133349130105 -373000 ekin = 1.36513752357975 | erot = 2.03996886737111 | epot = -12.5384555211137 | etot = -9.13334913016288 -374000 ekin = 1.35583949105233 | erot = 2.00351975772433 | epot = -12.492708378947 | etot = -9.13334913017032 -375000 ekin = 1.34694157711505 | erot = 1.9571603826854 | epot = -12.4374510898693 | etot = -9.13334913006881 -376000 ekin = 1.33814968105308 | erot = 1.90258032253329 | epot = -12.3740791334843 | etot = -9.13334912989794 -377000 ekin = 1.32936261120845 | erot = 1.84227265725227 | epot = -12.3049843981382 | etot = -9.13334912967749 -378000 ekin = 1.32063159991379 | erot = 1.77926043319037 | epot = -12.2332411625439 | etot = -9.1333491294397 -379000 ekin = 1.3120834036888 | erot = 1.71672941783635 | epot = -12.1621619507418 | etot = -9.13334912921662 -380000 ekin = 1.30384179784224 | erot = 1.65764204155785 | epot = -12.0948329684342 | etot = -9.13334912903407 -381000 ekin = 1.29657917475835 | erot = 1.60487100826682 | epot = -12.0347993118456 | etot = -9.13334912882041 -382000 ekin = 1.29092190134688 | erot = 1.56061067707075 | epot = -11.9848817072435 | etot = -9.13334912882587 -383000 ekin = 1.28620909068414 | erot = 1.52536833769996 | epot = -11.9449265572234 | etot = -9.13334912883934 -384000 ekin = 1.28205683099616 | erot = 1.49922806168814 | epot = -11.9146340215165 | etot = -9.13334912883216 -385000 ekin = 1.27850478017852 | erot = 1.48216189144812 | epot = -11.8940158004146 | etot = -9.13334912878801 -386000 ekin = 1.27603762173976 | erot = 1.47423730493005 | epot = -11.8836240553806 | etot = -9.13334912871082 -387000 ekin = 1.27548287271889 | erot = 1.47565716104732 | epot = -11.8844891623906 | etot = -9.1333491286244 -388000 ekin = 1.27780044585764 | erot = 1.4866096409742 | epot = -11.8977592153989 | etot = -9.13334912856707 -389000 ekin = 1.28381262703554 | erot = 1.50697425852406 | epot = -11.9241360141389 | etot = -9.13334912857925 -390000 ekin = 1.29393930260835 | erot = 1.53598035068249 | epot = -11.9632687819863 | etot = -9.1333491286955 -391000 ekin = 1.30800074456092 | erot = 1.57190984924451 | epot = -12.0132597227351 | etot = -9.13334912892964 -392000 ekin = 1.32513099179442 | erot = 1.6119758486771 | epot = -12.0704559697441 | etot = -9.13334912927258 -393000 ekin = 1.34382543000144 | erot = 1.65241448883384 | epot = -12.1295890485257 | etot = -9.13334912969045 -394000 ekin = 1.36212102398638 | erot = 1.6888101262474 | epot = -12.1842802803632 | etot = -9.13334913012946 -395000 ekin = 1.37788072140313 | erot = 1.71661593054037 | epot = -12.2278457824682 | etot = -9.13334913052473 -396000 ekin = 1.38913154512396 | erot = 1.73181112618336 | epot = -12.2542918021054 | etot = -9.13334913079804 -397000 ekin = 1.39439357479726 | erot = 1.73153617599066 | epot = -12.259278881721 | etot = -9.13334913093312 -398000 ekin = 1.39293904659167 | erot = 1.71441550438762 | epot = -12.2407036818559 | etot = -9.13334913087659 -399000 ekin = 1.38493174777411 | erot = 1.68094766350892 | epot = -12.1992285419456 | etot = -9.13334913066253 -400000 ekin = 1.37142116074065 | erot = 1.63330764197891 | epot = -12.1380779330258 | etot = -9.13334913030619 -401000 ekin = 1.3541299125241 | erot = 1.57501044311702 | epot = -12.0624894855341 | etot = -9.13334912989297 -402000 ekin = 1.33517991856866 | erot = 1.5104836498003 | epot = -11.9790126977741 | etot = -9.13334912940515 -403000 ekin = 1.31709653187235 | erot = 1.44458891478892 | epot = -11.8950345756004 | etot = -9.13334912893911 -404000 ekin = 1.30234590493843 | erot = 1.38198365576714 | epot = -11.8176786892413 | etot = -9.13334912853574 -405000 ekin = 1.29301391716244 | erot = 1.32673455588816 | epot = -11.7530976012891 | etot = -9.1333491282385 -406000 ekin = 1.29065467462766 | erot = 1.28204116436335 | epot = -11.7060449670173 | etot = -9.13334912802629 -407000 ekin = 1.29643237294776 | erot = 1.25006436588379 | epot = -11.6798458667512 | etot = -9.13334912791969 -408000 ekin = 1.31094700615233 | erot = 1.23190986721494 | epot = -11.6762060012839 | etot = -9.13334912791662 -409000 ekin = 1.3342243830335 | erot = 1.22763489752233 | epot = -11.6952084085713 | etot = -9.13334912801545 -410000 ekin = 1.36572014154938 | erot = 1.23628017302484 | epot = -11.7353494427869 | etot = -9.13334912821272 -411000 ekin = 1.4043266876074 | erot = 1.25592548503562 | epot = -11.7936013011448 | etot = -9.13334912850182 -412000 ekin = 1.44839088645834 | erot = 1.28379672627847 | epot = -11.8655367416051 | etot = -9.13334912886833 -413000 ekin = 1.49576795241815 | erot = 1.31646032748924 | epot = -11.9455774091914 | etot = -9.13334912928402 -414000 ekin = 1.5439492088942 | erot = 1.35014055217855 | epot = -12.027438890777 | etot = -9.13334912970421 -415000 ekin = 1.59029421705112 | erot = 1.38116660571169 | epot = -12.1048099528338 | etot = -9.13334913007095 -416000 ekin = 1.63235973909058 | erot = 1.40649922749285 | epot = -12.1722080969091 | etot = -9.13334913032568 -417000 ekin = 1.66825800489166 | erot = 1.42422016761161 | epot = -12.2258273029358 | etot = -9.13334913043252 -418000 ekin = 1.69693219837184 | erot = 1.43381449957472 | epot = -12.2640958283215 | etot = -9.13334913037492 -419000 ekin = 1.71824951894736 | erot = 1.43620625779617 | epot = -12.2878049069281 | etot = -9.13334913018453 -420000 ekin = 1.73288337430514 | erot = 1.43350825350777 | epot = -12.2997407577244 | etot = -9.1333491299115 -421000 ekin = 1.74204129532326 | erot = 1.4285602867495 | epot = -12.3039507116833 | etot = -9.13334912961054 -422000 ekin = 1.74713701807662 | erot = 1.42445618730831 | epot = -12.3049423347128 | etot = -9.13334912932785 -423000 ekin = 1.74949063384663 | erot = 1.42413436044403 | epot = -12.3069741233953 | etot = -9.13334912910463 -424000 ekin = 1.7500975464296 | erot = 1.43005641925169 | epot = -12.3135030946284 | etot = -9.13334912894713 -425000 ekin = 1.74947257256678 | erot = 1.44412400802352 | epot = -12.3269457094746 | etot = -9.1333491288843 -426000 ekin = 1.69664946387399 | erot = 1.40011304962673 | epot = -12.2301116346004 | etot = -9.13334912109972 -427000 ekin = 1.76448154345933 | erot = 1.46695774970221 | epot = -12.364788469981 | etot = -9.13334917681948 -428000 ekin = 1.77864040382709 | erot = 1.51204937412293 | epot = -12.4240389057583 | etot = -9.13334912780824 -429000 ekin = 1.77744254090633 | erot = 1.55645173379942 | epot = -12.4672434028106 | etot = -9.13334912810484 -430000 ekin = 1.76864481713901 | erot = 1.60567169371236 | epot = -12.5076656392895 | etot = -9.13334912843816 -431000 ekin = 1.75041443993041 | erot = 1.65655638514198 | epot = -12.5403199538344 | etot = -9.13334912876204 -432000 ekin = 1.72143753020921 | erot = 1.70559294341375 | epot = -12.5603796026449 | etot = -9.13334912902196 -433000 ekin = 1.68129756274196 | erot = 1.74934007551163 | epot = -12.5639867674191 | etot = -9.13334912916547 -434000 ekin = 1.6307765097995 | erot = 1.78490039303317 | epot = -12.5490260319879 | etot = -9.13334912915522 -435000 ekin = 1.57198882084473 | erot = 1.81033246556209 | epot = -12.5156704153878 | etot = -9.13334912898102 -436000 ekin = 1.50828072851458 | erot = 1.82489908961108 | epot = -12.4665289467911 | etot = -9.13334912866549 -437000 ekin = 1.44388315301215 | erot = 1.82908776308002 | epot = -12.4063200443511 | etot = -9.13334912825894 -438000 ekin = 1.38337900429706 | erot = 1.82441107452533 | epot = -12.3411392066478 | etot = -9.13334912782545 -439000 ekin = 1.33110407576216 | erot = 1.81306694504084 | epot = -12.2775201482282 | etot = -9.13334912742516 -440000 ekin = 1.29061754888996 | erot = 1.79757475508363 | epot = -12.2215414310742 | etot = -9.13334912710057 -441000 ekin = 1.26434687832154 | erot = 1.78048600607395 | epot = -12.1781820112662 | etot = -9.13334912687068 -442000 ekin = 1.25344985037923 | erot = 1.76421040799427 | epot = -12.1510093851079 | etot = -9.13334912673437 -443000 ekin = 1.25787308938408 | erot = 1.7509340047669 | epot = -12.1421562208304 | etot = -9.13334912667946 -444000 ekin = 1.27654491138799 | erot = 1.74256727852004 | epot = -12.1524613166018 | etot = -9.13334912669374 -445000 ekin = 1.30762960642476 | erot = 1.74066161517015 | epot = -12.1816403483645 | etot = -9.13334912676961 -446000 ekin = 1.3487848533523 | erot = 1.74626611357075 | epot = -12.2284000938277 | etot = -9.13334912690466 -447000 ekin = 1.39739993763746 | erot = 1.75974793458065 | epot = -12.2904969993185 | etot = -9.13334912710037 -448000 ekin = 1.45076649190917 | erot = 1.7806071793413 | epot = -12.364722798603 | etot = -9.13334912735256 -449000 ekin = 1.50623999605376 | erot = 1.80738848344697 | epot = -12.4469776071506 | etot = -9.13334912764992 -450000 ekin = 1.56138908054617 | erot = 1.83773497344343 | epot = -12.5324731819609 | etot = -9.1333491279713 -451000 ekin = 1.61412412964542 | erot = 1.86859865234422 | epot = -12.6160719102768 | etot = -9.13334912828714 -452000 ekin = 1.6628093163013 | erot = 1.89658548036375 | epot = -12.6927439252283 | etot = -9.1333491285633 -453000 ekin = 1.70634971637105 | erot = 1.91837476586798 | epot = -12.7580736110109 | etot = -9.1333491287719 -454000 ekin = 1.74423056750383 | erot = 1.93111374790632 | epot = -12.8086934443058 | etot = -9.13334912889565 -455000 ekin = 1.77648988409902 | erot = 1.93270291378172 | epot = -12.8425419268138 | etot = -9.13334912893303 -456000 ekin = 1.80361911556758 | erot = 1.92192628287797 | epot = -12.8588945273422 | etot = -9.13334912889667 -457000 ekin = 1.82640016706239 | erot = 1.89842961389939 | epot = -12.8581789097705 | etot = -9.13334912880868 -458000 ekin = 1.84570455025963 | erot = 1.86259298695739 | epot = -12.8416466659125 | etot = -9.13334912869546 -459000 ekin = 1.86229070170975 | erot = 1.8153534231514 | epot = -12.8109932534393 | etot = -9.13334912857818 -460000 ekin = 1.87663848085893 | erot = 1.75803306182783 | epot = -12.7680206711608 | etot = -9.13334912847404 -461000 ekin = 1.88883864523215 | erot = 1.69219746384297 | epot = -12.7143852374647 | etot = -9.13334912838955 -462000 ekin = 1.89856203652326 | erot = 1.6195667802744 | epot = -12.6514779451227 | etot = -9.133349128325 -463000 ekin = 1.90510221764502 | erot = 1.54196437877849 | epot = -12.5804157247001 | etot = -9.1333491282766 -464000 ekin = 1.90747686786683 | erot = 1.46127993198489 | epot = -12.502105928087 | etot = -9.13334912823527 -465000 ekin = 1.90457977356189 | erot = 1.37946070091747 | epot = -12.4173896026655 | etot = -9.13334912818618 -466000 ekin = 1.89536572152358 | erot = 1.29851485172168 | epot = -12.3272297013671 | etot = -9.13334912812186 -467000 ekin = 1.87901831710009 | erot = 1.22048659414398 | epot = -12.2328540392803 | etot = -9.13334912803627 -468000 ekin = 1.85509917792091 | erot = 1.1473912628406 | epot = -12.13583956869 | etot = -9.13334912792853 -469000 ekin = 1.82366605107355 | erot = 1.08110787535096 | epot = -12.0381230542272 | etot = -9.13334912780273 -470000 ekin = 1.78535216075648 | erot = 1.02324127043684 | epot = -11.9419425588579 | etot = -9.13334912766458 -471000 ekin = 1.74141051513421 | erot = 0.974982090043725 | epot = -11.8497417326974 | etot = -9.13334912751951 -472000 ekin = 1.69372019705975 | erot = 0.937000644455065 | epot = -11.7640699688868 | etot = -9.13334912737203 -473000 ekin = 1.64473632771015 | erot = 0.909402534931994 | epot = -11.6874879898697 | etot = -9.13334912722754 -474000 ekin = 1.59734995177404 | erot = 0.891755018431719 | epot = -11.6224540973016 | etot = -9.13334912709589 -475000 ekin = 1.55462885495293 | erot = 0.883174765260449 | epot = -11.5711527472053 | etot = -9.13334912699189 -476000 ekin = 1.51944866261199 | erot = 0.882459888569853 | epot = -11.5352576781139 | etot = -9.13334912693209 -477000 ekin = 1.49408243529063 | erot = 0.888250161717153 | epot = -11.515681723936 | etot = -9.13334912692819 -478000 ekin = 1.4798562258565 | erot = 0.899197335533059 | epot = -11.5124026883719 | etot = -9.13334912698235 -479000 ekin = 1.47695373952859 | erot = 0.914115348457697 | epot = -11.5244182150805 | etot = -9.13334912709421 -480000 ekin = 1.48439477575451 | erot = 0.932072516621074 | epot = -11.5498164196183 | etot = -9.13334912724273 -481000 ekin = 1.50022741217501 | erot = 0.952423999184349 | epot = -11.5860005387821 | etot = -9.13334912742275 -482000 ekin = 1.52172985963404 | erot = 0.974754211846627 | epot = -11.6298331991075 | etot = -9.13334912762685 -483000 ekin = 1.54567018241475 | erot = 0.998770450814902 | epot = -11.6777897610758 | etot = -9.13334912784619 -484000 ekin = 1.56858614723056 | erot = 1.02419763510876 | epot = -11.7261329104084 | etot = -9.1333491280691 -485000 ekin = 1.5870734695504 | erot = 1.05070585623167 | epot = -11.771128454062 | etot = -9.1333491282799 -486000 ekin = 1.59807103603055 | erot = 1.07788995424718 | epot = -11.809310118738 | etot = -9.13334912846031 -487000 ekin = 1.59911980804395 | erot = 1.10529931942213 | epot = -11.8377682560594 | etot = -9.13334912859333 -488000 ekin = 1.58856342116616 | erot = 1.13249736396264 | epot = -11.8544099137962 | etot = -9.13334912866743 -489000 ekin = 1.56566142904661 | erot = 1.15911683125844 | epot = -11.8581273889842 | etot = -9.13334912867911 -490000 ekin = 1.5306026855461 | erot = 1.18488502427377 | epot = -11.8488368384537 | etot = -9.13334912863386 -491000 ekin = 1.4844342706942 | erot = 1.20959914016026 | epot = -11.8273825393274 | etot = -9.13334912847297 -492000 ekin = 1.42930345354388 | erot = 1.23291829593372 | epot = -11.7955708778621 | etot = -9.13334912838453 -493000 ekin = 1.3674956414507 | erot = 1.2543854460511 | epot = -11.7552302157779 | etot = -9.13334912827613 -494000 ekin = 1.30137262987975 | erot = 1.27348228002552 | epot = -11.708204038061 | etot = -9.13334912815568 -495000 ekin = 1.23360970816894 | erot = 1.28954660636143 | epot = -11.6565054425584 | etot = -9.13334912802799 -496000 ekin = 1.16375548640691 | erot = 1.3002319560856 | epot = -11.5973366205377 | etot = -9.13334917804515 -497000 ekin = 1.02574644939778 | erot = 1.24927230426217 | epot = -11.4083678755021 | etot = -9.13334912184212 -498000 ekin = 1.13339044616663 | erot = 1.24939677704446 | epot = -11.5161363891186 | etot = -9.13334916590748 -499000 ekin = 1.1643476239328 | erot = 1.2586467315497 | epot = -11.5563434800384 | etot = -9.13334912455595 -500000 ekin = 1.16768486506805 | erot = 1.25769344443913 | epot = -11.5587274345818 | etot = -9.13334912507467 -501000 ekin = 1.17559895497574 | erot = 1.25038915442602 | epot = -11.5593372343045 | etot = -9.13334912490274 -502000 ekin = 1.18926606273964 | erot = 1.23784323633042 | epot = -11.5604584237508 | etot = -9.13334912468077 -503000 ekin = 1.20982408114982 | erot = 1.22204157664332 | epot = -11.5652147822326 | etot = -9.1333491244395 -504000 ekin = 1.23811782737094 | erot = 1.20572865378445 | epot = -11.5771956053593 | etot = -9.13334912420395 -505000 ekin = 1.27460966228848 | erot = 1.19199209322162 | epot = -11.599950879511 | etot = -9.13334912400085 -506000 ekin = 1.31928047819669 | erot = 1.18393687677918 | epot = -11.6365664788306 | etot = -9.13334912385476 -507000 ekin = 1.37157700900589 | erot = 1.18435118386637 | epot = -11.6892773166552 | etot = -9.13334912378295 -508000 ekin = 1.43042502721634 | erot = 1.19541187481652 | epot = -11.759186025826 | etot = -9.13334912379309 -509000 ekin = 1.49431413372954 | erot = 1.21846596295747 | epot = -11.84612922057 | etot = -9.13334912388303 -510000 ekin = 1.56143815900091 | erot = 1.25390781315509 | epot = -11.9486950961993 | etot = -9.13334912404329 -511000 ekin = 1.62985405359645 | erot = 1.30115550674131 | epot = -12.0643586845984 | etot = -9.13334912426069 -512000 ekin = 1.69760948238553 | erot = 1.35871536004462 | epot = -12.1896739669537 | etot = -9.13334912452353 -513000 ekin = 1.76279412854899 | erot = 1.42431355746946 | epot = -12.3204568108429 | etot = -9.13334912482448 -514000 ekin = 1.82349978434328 | erot = 1.49507387317972 | epot = -12.4519227826811 | etot = -9.13334912515808 -515000 ekin = 1.87772649131842 | erot = 1.56773414236326 | epot = -12.5788097591951 | etot = -9.13334912551346 -516000 ekin = 1.92332299298634 | erot = 1.63891274676095 | epot = -12.6955848656127 | etot = -9.13334912586538 -517000 ekin = 1.95805681102191 | erot = 1.70543998934226 | epot = -12.7968459265369 | etot = -9.13334912617277 -518000 ekin = 1.97984991947131 | erot = 1.76473849815428 | epot = -12.8779375440131 | etot = -9.13334912638746 -519000 ekin = 1.98711819296806 | erot = 1.81518192785056 | epot = -12.9356492472892 | etot = -9.13334912647053 -520000 ekin = 1.97908911077307 | erot = 1.85632478175216 | epot = -12.9687630189372 | etot = -9.13334912641193 -521000 ekin = 1.95594858056491 | erot = 1.88892760796818 | epot = -12.9782253147591 | etot = -9.13334912622604 -522000 ekin = 1.91881161738275 | erot = 1.91475582237592 | epot = -12.9669165657094 | etot = -9.13334912595078 -523000 ekin = 1.86954045343384 | erot = 1.93620351350401 | epot = -12.9390930925734 | etot = -9.13334912563555 -524000 ekin = 1.81047332181796 | erot = 1.95582271022227 | epot = -12.8996451573717 | etot = -9.1333491253315 -525000 ekin = 1.74413482435803 | erot = 1.97582576721665 | epot = -12.853309716661 | etot = -9.13334912508635 -526000 ekin = 1.67297434025033 | erot = 1.99761678040497 | epot = -12.8039402455932 | etot = -9.1333491249379 -527000 ekin = 1.5991686561631 | erot = 2.02141684187647 | epot = -12.753934622946 | etot = -9.13334912490644 -528000 ekin = 1.52452149634769 | erot = 2.046058779126 | epot = -12.7039294004621 | etot = -9.1333491249884 -529000 ekin = 1.4504814163815 | erot = 2.06903286947805 | epot = -12.6528634110116 | etot = -9.13334912515203 -530000 ekin = 1.37827485203473 | erot = 2.0868382112308 | epot = -12.5984621886064 | etot = -9.13334912534092 -531000 ekin = 1.3091154482528 | erot = 2.09562136598182 | epot = -12.5380859397209 | etot = -9.1333491254863 -532000 ekin = 1.24441932207011 | erot = 2.09198653946293 | epot = -12.4697549870592 | etot = -9.13334912552613 -533000 ekin = 1.18594679653286 | erot = 2.07377924595502 | epot = -12.3930751679117 | etot = -9.13334912542376 -534000 ekin = 1.1358131246152 | erot = 2.04062941960225 | epot = -12.3097916693957 | etot = -9.13334912517824 -535000 ekin = 1.09635528031573 | erot = 1.99411201499638 | epot = -12.2238164201347 | etot = -9.13334912482263 -536000 ekin = 1.06988655695763 | erot = 1.93750945181547 | epot = -12.1407451331865 | etot = -9.13334912441337 -537000 ekin = 1.05839509271428 | erot = 1.87547351818765 | epot = -12.067217734895 | etot = -9.13334912399308 -538000 ekin = 1.0632389138569 | erot = 1.81331424698671 | epot = -12.0099022845221 | etot = -9.13334912367847 -539000 ekin = 1.08487929970153 | erot = 1.75562392314899 | epot = -11.9738523463437 | etot = -9.1333491234932 -540000 ekin = 1.12268189023152 | erot = 1.70611667318676 | epot = -11.9621476868923 | etot = -9.13334912347407 -541000 ekin = 1.17481105396039 | erot = 1.66717481231005 | epot = -11.9753349899086 | etot = -9.13334912363814 -542000 ekin = 1.23824417791102 | erot = 1.63956314455323 | epot = -12.0111564464434 | etot = -9.13334912397912 -543000 ekin = 1.30892832432196 | erot = 1.62236761446703 | epot = -12.0646450632514 | etot = -9.13334912446245 -544000 ekin = 1.38208514507633 | erot = 1.61318872881496 | epot = -12.1286229989214 | etot = -9.13334912503009 -545000 ekin = 1.45263801176139 | erot = 1.60857948401433 | epot = -12.194566621382 | etot = -9.13334912560626 -546000 ekin = 1.51570974605577 | erot = 1.60467377472423 | epot = -12.2537326468904 | etot = -9.13334912611039 -547000 ekin = 1.56711452712077 | erot = 1.5978880038112 | epot = -12.2983516574063 | etot = -9.13334912647434 -548000 ekin = 1.60376221827811 | erot = 1.58554162816014 | epot = -12.3226529730938 | etot = -9.13334912665559 -549000 ekin = 1.6239104162595 | erot = 1.56625626420505 | epot = -12.3235158071101 | etot = -9.13334912664558 -550000 ekin = 1.62723358008672 | erot = 1.54012357327806 | epot = -12.30070627981 | etot = -9.13334912644519 -551000 ekin = 1.61471889891336 | erot = 1.50851459569879 | epot = -12.2565826207564 | etot = -9.13334912614428 -552000 ekin = 1.58843016682055 | erot = 1.4734893638341 | epot = -12.1952686564244 | etot = -9.13334912576979 -553000 ekin = 1.55120098109625 | erot = 1.43753302718273 | epot = -12.1220831336482 | etot = -9.1333491253692 -554000 ekin = 1.50631636212865 | erot = 1.40318755322487 | epot = -12.0428530403314 | etot = -9.1333491249779 -555000 ekin = 1.45722878986198 | erot = 1.3727969819938 | epot = -11.9633748964754 | etot = -9.13334912461958 -556000 ekin = 1.40732293284862 | erot = 1.34837590638604 | epot = -11.8890479635409 | etot = -9.13334912430622 -557000 ekin = 1.35973750772558 | erot = 1.33157707038633 | epot = -11.8246637021546 | etot = -9.1333491240427 -558000 ekin = 1.3172359073265 | erot = 1.3237162803257 | epot = -11.7743013114838 | etot = -9.13334912383159 -559000 ekin = 1.2821102830885 | erot = 1.32580526483737 | epot = -11.7412646716021 | etot = -9.13334912367621 -560000 ekin = 1.25610590404606 | erot = 1.33855626266036 | epot = -11.7280112902894 | etot = -9.133349123583 -561000 ekin = 1.24035844263076 | erot = 1.36234138770616 | epot = -11.7360489538972 | etot = -9.13334912356032 -562000 ekin = 1.23534624012456 | erot = 1.39711468447884 | epot = -11.7658100482193 | etot = -9.1333491236159 -563000 ekin = 1.24087113988293 | erot = 1.4423315029889 | epot = -11.8165517666224 | etot = -9.13334912375058 -564000 ekin = 1.25609129142967 | erot = 1.49691875868316 | epot = -11.8863591740662 | etot = -9.13334912395332 -565000 ekin = 1.27963015842585 | erot = 1.55937933471928 | epot = -11.9723586173333 | etot = -9.13334912418822 -566000 ekin = 1.30976945418509 | erot = 1.62795664726991 | epot = -12.071075225903 | etot = -9.13334912444796 -567000 ekin = 1.34469873511446 | erot = 1.70073738337955 | epot = -12.1787852431846 | etot = -9.13334912469059 -568000 ekin = 1.3827577993095 | erot = 1.77591787231153 | epot = -12.2920247965257 | etot = -9.13334912490467 -569000 ekin = 1.42260294142512 | erot = 1.85183127902824 | epot = -12.4077833455478 | etot = -9.13334912509444 -570000 ekin = 1.46311433096258 | erot = 1.92670412005392 | epot = -12.5231675763841 | etot = -9.13334912536755 -571000 ekin = 1.50327753329096 | erot = 1.99853100880983 | epot = -12.6351576677818 | etot = -9.13334912568103 -572000 ekin = 1.54192966726804 | erot = 2.0649761373004 | epot = -12.7402549304433 | etot = -9.13334912587482 -573000 ekin = 1.57823855407033 | erot = 2.12427016696493 | epot = -12.8358578469925 | etot = -9.13334912595728 -574000 ekin = 1.61207502224245 | erot = 2.17570201380688 | epot = -12.9211261619195 | etot = -9.13334912587019 -575000 ekin = 1.64402582173614 | erot = 2.22028441014118 | epot = -12.9976593575029 | etot = -9.13334912562555 -576000 ekin = 1.67538587678149 | erot = 2.26042238856294 | epot = -13.0691573906352 | etot = -9.13334912529081 -577000 ekin = 1.7078920937872 | erot = 2.29915883242306 | epot = -13.1404000511779 | etot = -9.13334912496764 -578000 ekin = 1.74326819508177 | erot = 2.33909725076169 | epot = -13.2157145705919 | etot = -9.13334912474848 -579000 ekin = 1.78272231838101 | erot = 2.38182643842008 | epot = -13.2978978814957 | etot = -9.13334912469457 -580000 ekin = 1.82652189372822 | erot = 2.42751679139619 | epot = -13.3873878099572 | etot = -9.13334912483282 -581000 ekin = 1.87370675175303 | erot = 2.47480205693856 | epot = -13.4818579338654 | etot = -9.13334912517378 -582000 ekin = 1.92197052578468 | erot = 2.5209271515326 | epot = -13.576246802977 | etot = -9.13334912565971 -583000 ekin = 1.96774925896929 | erot = 2.5622766080168 | epot = -13.6633749932262 | etot = -9.13334912624012 -584000 ekin = 2.00657374540297 | erot = 2.59498886542894 | epot = -13.7349117376518 | etot = -9.1333491268199 -585000 ekin = 2.03371871575794 | erot = 2.6156627420042 | epot = -13.7827305850441 | etot = -9.13334912728194 -586000 ekin = 2.04507827703381 | erot = 2.62214006251515 | epot = -13.8005674670651 | etot = -9.13334912751611 -587000 ekin = 2.03806243485746 | erot = 2.61411994889086 | epot = -13.7855315112076 | etot = -9.13334912745932 -588000 ekin = 2.01223115184444 | erot = 2.59335030112075 | epot = -13.7389305800901 | etot = -9.13334912712496 -589000 ekin = 1.96942837554651 | erot = 2.56324673362772 | epot = -13.6660242357781 | etot = -9.13334912660385 -590000 ekin = 1.91334419959089 | erot = 2.52801524733256 | epot = -13.574708572955 | etot = -9.13334912603151 -591000 ekin = 1.84865383330884 | erot = 2.4915831336859 | epot = -13.4735860925299 | etot = -9.13334912553512 -592000 ekin = 1.78006004419929 | erot = 2.45674050607992 | epot = -13.3701496754639 | etot = -9.13334912518467 -593000 ekin = 1.71159279762526 | erot = 2.42478693108587 | epot = -13.2697288536894 | etot = -9.13334912497825 -594000 ekin = 1.64634946405755 | erot = 2.39569805900575 | epot = -13.1753966479338 | etot = -9.13334912487046 -595000 ekin = 1.5865947994934 | erot = 2.36854432556366 | epot = -13.0884882498757 | etot = -9.13334912481863 -596000 ekin = 1.53398103551819 | erot = 2.34182175784585 | epot = -13.0091519181739 | etot = -9.13334912480987 -597000 ekin = 1.48969441622987 | erot = 2.31355286209804 | epot = -12.9365964031787 | etot = -9.13334912485079 -598000 ekin = 1.45449014890813 | erot = 2.28129539495166 | epot = -12.8691346688017 | etot = -9.13334912494188 -599000 ekin = 1.4286828360633 | erot = 2.24230571379077 | epot = -12.8043376749144 | etot = -9.13334912506028 -600000 ekin = 1.41215819513153 | erot = 2.19421771508645 | epot = -12.7397250351149 | etot = -9.13334912489694 -601000 ekin = 1.40437980063996 | erot = 2.13675092847909 | epot = -12.6744798541792 | etot = -9.13334912506017 -602000 ekin = 1.40442466853487 | erot = 2.0686359576415 | epot = -12.6064097512942 | etot = -9.13334912511782 -603000 ekin = 1.41112302449782 | erot = 1.98998056957469 | epot = -12.5344527191434 | etot = -9.13334912507092 -604000 ekin = 1.42310135152322 | erot = 1.9027452432284 | epot = -12.4591957196956 | etot = -9.13334912494394 -605000 ekin = 1.43883447822635 | erot = 1.81030632011162 | epot = -12.382489923109 | etot = -9.13334912477107 -606000 ekin = 1.45673760095324 | erot = 1.71684240504965 | epot = -12.3069291305862 | etot = -9.13334912458332 -607000 ekin = 1.47529863713266 | erot = 1.62672298753197 | epot = -12.2353707490669 | etot = -9.13334912440231 -608000 ekin = 1.49323166610448 | erot = 1.54399943869277 | epot = -12.1705802290369 | etot = -9.13334912423965 -609000 ekin = 1.50961256615827 | erot = 1.47208306434152 | epot = -12.1150447546089 | etot = -9.13334912410907 -610000 ekin = 1.52396039431393 | erot = 1.41350705715352 | epot = -12.0708165754616 | etot = -9.13334912399415 -611000 ekin = 1.53622860047132 | erot = 1.36992443741477 | epot = -12.0395021618094 | etot = -9.13334912392332 -612000 ekin = 1.54668536626219 | erot = 1.34205362873306 | epot = -12.0220881189051 | etot = -9.13334912390986 -613000 ekin = 1.55571309695651 | erot = 1.32960894336309 | epot = -12.0186711642903 | etot = -9.13334912397073 -614000 ekin = 1.56356369221671 | erot = 1.33131277562909 | epot = -12.028225591966 | etot = -9.13334912412021 -615000 ekin = 1.57013881826616 | erot = 1.34494539762102 | epot = -12.0484333402241 | etot = -9.13334912433694 -616000 ekin = 1.5748568190386 | erot = 1.36757312206584 | epot = -12.0757790657621 | etot = -9.13334912465767 -617000 ekin = 1.57672646781163 | erot = 1.39546251367079 | epot = -12.1055381065046 | etot = -9.13334912502222 -618000 ekin = 1.57456346737768 | erot = 1.42448013453851 | epot = -12.1323927272936 | etot = -9.13334912537746 -619000 ekin = 1.56732946470101 | erot = 1.45059208153023 | epot = -12.1512706718931 | etot = -9.13334912566186 -620000 ekin = 1.55451321753897 | erot = 1.47039334455765 | epot = -12.1582556879159 | etot = -9.13334912581928 -621000 ekin = 1.53644782338436 | erot = 1.48161304591079 | epot = -12.1514099951079 | etot = -9.13334912581271 -622000 ekin = 1.51447783518453 | erot = 1.48347710481977 | epot = -12.1313040656388 | etot = -9.13334912563447 -623000 ekin = 1.49092960733185 | erot = 1.47683215248873 | epot = -12.101110885129 | etot = -9.13334912530837 -624000 ekin = 1.46886130170239 | erot = 1.46422198591474 | epot = -12.0664324125275 | etot = -9.13334912491036 -625000 ekin = 1.45155188812906 | erot = 1.44918251594133 | epot = -12.034083528554 | etot = -9.13334912448364 -626000 ekin = 1.44224748158227 | erot = 1.43533399591538 | epot = -12.0109306015702 | etot = -9.13334912407255 -627000 ekin = 1.44381530880348 | erot = 1.42638005354494 | epot = -12.0035444860842 | etot = -9.13334912373574 -628000 ekin = 1.4583308162053 | erot = 1.4256082487489 | epot = -12.0172881884918 | etot = -9.13334912353762 -629000 ekin = 1.48676985537521 | erot = 1.43535417576745 | epot = -12.0554731546307 | etot = -9.13334912348804 -630000 ekin = 1.52866417049647 | erot = 1.45689184513091 | epot = -12.1189051392532 | etot = -9.13334912362577 -631000 ekin = 1.58193413339469 | erot = 1.49015054897199 | epot = -12.2054338063848 | etot = -9.13334912401817 -632000 ekin = 1.6423485105623 | erot = 1.53357750658553 | epot = -12.3092751416905 | etot = -9.13334912454265 -633000 ekin = 1.70466841197628 | erot = 1.58426390209731 | epot = -12.4222814392234 | etot = -9.13334912514981 -634000 ekin = 1.76318354699949 | erot = 1.63860587790227 | epot = -12.5351385506363 | etot = -9.13334912573451 -635000 ekin = 1.81242625035339 | erot = 1.69306627320296 | epot = -12.6388416497417 | etot = -9.13334912618538 -636000 ekin = 1.84805557838623 | erot = 1.74492785469711 | epot = -12.7263325594983 | etot = -9.13334912641493 -637000 ekin = 1.86755595285165 | erot = 1.79286465558875 | epot = -12.7937697348511 | etot = -9.13334912641071 -638000 ekin = 1.8704735746913 | erot = 1.83697965057034 | epot = -12.840802351469 | etot = -9.13334912620734 -639000 ekin = 1.85817220593526 | erot = 1.87849437006229 | epot = -12.8700157018793 | etot = -9.13334912588174 -640000 ekin = 1.83325502875059 | erot = 1.91930247136211 | epot = -12.8859066256261 | etot = -9.13334912551343 -641000 ekin = 1.79889805051579 | erot = 1.96149522931869 | epot = -12.8937424049928 | etot = -9.1333491251583 -642000 ekin = 1.75833330344831 | erot = 2.00701454516796 | epot = -12.8986969734715 | etot = -9.13334912485521 -643000 ekin = 1.71452400738503 | erot = 2.05742054584748 | epot = -12.9052936778285 | etot = -9.13334912459598 -644000 ekin = 1.67006045206469 | erot = 2.11379950766342 | epot = -12.9172090841588 | etot = -9.13334912443064 -645000 ekin = 1.62710169193507 | erot = 2.17652829047503 | epot = -12.9369791067681 | etot = -9.13334912435798 -646000 ekin = 1.58731920570871 | erot = 2.24499987972099 | epot = -12.9656682098005 | etot = -9.13334912437076 -647000 ekin = 1.5519287984978 | erot = 2.31774723145552 | epot = -13.0030251544465 | etot = -9.13334912449313 -648000 ekin = 1.52155547404241 | erot = 2.3921684940498 | epot = -13.0470730928209 | etot = -9.1333491247287 -649000 ekin = 1.49615701172334 | erot = 2.46459269466401 | epot = -13.0940988314631 | etot = -9.13334912507576 -650000 ekin = 1.4749582040793 | erot = 2.53042613107505 | epot = -13.1387334606739 | etot = -9.13334912551956 -651000 ekin = 1.45644758275727 | erot = 2.58442104122277 | epot = -13.1742177500083 | etot = -9.13334912602828 -652000 ekin = 1.43848054669938 | erot = 2.62109720355956 | epot = -13.1929268768061 | etot = -9.13334912654716 -653000 ekin = 1.418535386466 | erot = 2.63533318879061 | epot = -13.1872177022545 | etot = -9.13334912699785 -654000 ekin = 1.39414099594557 | erot = 2.62311445987521 | epot = -13.1506045831126 | etot = -9.13334912729179 -655000 ekin = 1.36342278664424 | erot = 2.58232798191531 | epot = -13.0790998958907 | etot = -9.13334912733113 -656000 ekin = 1.32754554559858 | erot = 2.51343997306615 | epot = -12.9743346448082 | etot = -9.1333491261435 -657000 ekin = 1.07738759792772 | erot = 2.44669612963399 | epot = -12.6574327807952 | etot = -9.13334905323347 -658000 ekin = 1.00652014230032 | erot = 2.49084781647026 | epot = -12.6307170433285 | etot = -9.13334908455789 -659000 ekin = 1.07240085017734 | erot = 2.42929901831529 | epot = -12.635048983779 | etot = -9.13334911528638 -660000 ekin = 1.09381648980785 | erot = 2.30102308261602 | epot = -12.5281886879193 | etot = -9.13334911549543 -661000 ekin = 1.11701334337999 | erot = 2.16959631554143 | epot = -12.4199587738156 | etot = -9.13334911489422 -662000 ekin = 1.14263894057994 | erot = 2.04231481245697 | epot = -12.3183028674859 | etot = -9.13334911444903 -663000 ekin = 1.17093665277096 | erot = 1.92510458369648 | epot = -12.2293903506437 | etot = -9.13334911417622 -664000 ekin = 1.20146324496831 | erot = 1.82207009510825 | epot = -12.1568824541654 | etot = -9.13334911408881 -665000 ekin = 1.23289032447975 | erot = 1.735648364276 | epot = -12.1018878027968 | etot = -9.13334911404106 -666000 ekin = 1.26340464455218 | erot = 1.667025926681 | epot = -12.0637796854968 | etot = -9.13334911426366 -667000 ekin = 1.29102574814593 | erot = 1.61488086820421 | epot = -12.0392557309133 | etot = -9.13334911456314 -668000 ekin = 1.31376054134927 | erot = 1.5764971277367 | epot = -12.0236067839923 | etot = -9.13334911490633 -669000 ekin = 1.32989404565464 | erot = 1.54828621181587 | epot = -12.0115293726992 | etot = -9.13334911522865 -670000 ekin = 1.33826340890754 | erot = 1.52640844797489 | epot = -11.9980209723676 | etot = -9.13334911548521 -671000 ekin = 1.33847461323346 | erot = 1.50724764864856 | epot = -11.9790713775232 | etot = -9.13334911564113 -672000 ekin = 1.33101969554678 | erot = 1.48781306139283 | epot = -11.9521818726182 | etot = -9.13334911567861 -673000 ekin = 1.31737035051176 | erot = 1.4661022805312 | epot = -11.9168217466047 | etot = -9.13334911556173 -674000 ekin = 1.29992521798198 | erot = 1.4413124176082 | epot = -11.8745867509663 | etot = -9.13334911537614 -675000 ekin = 1.28129254582524 | erot = 1.41347048294566 | epot = -11.8281121439067 | etot = -9.13334911513581 -676000 ekin = 1.26413925333757 | erot = 1.38336835396576 | epot = -11.780856722189 | etot = -9.13334911488567 -677000 ekin = 1.25080949630036 | erot = 1.35227525692409 | epot = -11.7364338679154 | etot = -9.13334911469091 -678000 ekin = 1.24240325883958 | erot = 1.3212224636356 | epot = -11.6969748370327 | etot = -9.13334911455754 -679000 ekin = 1.2393516412486 | erot = 1.29124446460956 | epot = -11.6639452203567 | etot = -9.13334911449854 -680000 ekin = 1.24151057851822 | erot = 1.26358348831142 | epot = -11.6384431811751 | etot = -9.13334911434545 -681000 ekin = 1.2481079198548 | erot = 1.23998966300245 | epot = -11.6214466973225 | etot = -9.13334911446523 -682000 ekin = 1.25738088472655 | erot = 1.22073219170507 | epot = -11.6114621910609 | etot = -9.13334911462931 -683000 ekin = 1.26715254864191 | erot = 1.2055490969485 | epot = -11.6060507604 | etot = -9.13334911480957 -684000 ekin = 1.27521936884399 | erot = 1.1939299525654 | epot = -11.6024984363875 | etot = -9.13334911497808 -685000 ekin = 1.27965818658062 | erot = 1.18525667281043 | epot = -11.5982639744944 | etot = -9.13334911510335 -686000 ekin = 1.27906445706628 | erot = 1.17887846190797 | epot = -11.5912920341647 | etot = -9.13334911519041 -687000 ekin = 1.27268261754012 | erot = 1.17407129022145 | epot = -11.5801030230213 | etot = -9.13334911525974 -688000 ekin = 1.26041914406642 | erot = 1.1700760478346 | epot = -11.5638443071288 | etot = -9.13334911522773 -689000 ekin = 1.2428793849551 | erot = 1.16656725574329 | epot = -11.5427957558554 | etot = -9.13334911515697 -690000 ekin = 1.22118240404883 | erot = 1.16336387131168 | epot = -11.5178953904198 | etot = -9.13334911505928 -691000 ekin = 1.19679867225268 | erot = 1.16037339233088 | epot = -11.4905211795297 | etot = -9.13334911494617 -692000 ekin = 1.17139142555539 | erot = 1.15758648593064 | epot = -11.4623270263136 | etot = -9.1333491148276 -693000 ekin = 1.14685376597371 | erot = 1.15519232867376 | epot = -11.4353952091881 | etot = -9.1333491145406 -694000 ekin = 1.12537035278852 | erot = 1.15368599836277 | epot = -11.412405465604 | etot = -9.13334911445274 -695000 ekin = 1.10824764597662 | erot = 1.15324052660538 | epot = -11.3948372869643 | etot = -9.1333491143823 -696000 ekin = 1.09641524899341 | erot = 1.15407441364682 | epot = -11.383838776975 | etot = -9.13334911433473 -697000 ekin = 1.09040706960007 | erot = 1.15645735234472 | epot = -11.3802135362623 | etot = -9.13334911431747 -698000 ekin = 1.09030542376481 | erot = 1.16063392710713 | epot = -11.3842884652006 | etot = -9.13334911432863 -699000 ekin = 1.0955253614223 | erot = 1.16669639941862 | epot = -11.3955708752032 | etot = -9.13334911436229 -700000 ekin = 1.10527379803485 | erot = 1.17478862115944 | epot = -11.4134115336302 | etot = -9.13334911443592 -701000 ekin = 1.11851271408444 | erot = 1.18492470948241 | epot = -11.4367865380912 | etot = -9.13334911452438 -702000 ekin = 1.1339554937307 | erot = 1.19694667251745 | epot = -11.4642512808782 | etot = -9.13334911463 -703000 ekin = 1.15018285433623 | erot = 1.2105705597141 | epot = -11.4941025287948 | etot = -9.13334911474445 -704000 ekin = 1.1657667345821 | erot = 1.22535908060157 | epot = -11.5244749300411 | etot = -9.13334911485743 -705000 ekin = 1.17938915503837 | erot = 1.24076765314074 | epot = -11.553505923137 | etot = -9.1333491149579 -706000 ekin = 1.18994261306683 | erot = 1.25622348494622 | epot = -11.5795152130485 | etot = -9.13334911503546 -707000 ekin = 1.19660107195869 | erot = 1.27122780267335 | epot = -11.6011779897132 | etot = -9.13334911508118 -708000 ekin = 1.19885615187048 | erot = 1.28546332267694 | epot = -11.6176685896373 | etot = -9.13334911508987 -709000 ekin = 1.19651981509827 | erot = 1.29888532038517 | epot = -11.6287542505434 | etot = -9.13334911506 -710000 ekin = 1.18969957497472 | erot = 1.31177606554499 | epot = -11.6348247555143 | etot = -9.13334911499455 -711000 ekin = 1.1787538760317 | erot = 1.3247479148329 | epot = -11.6368509057657 | etot = -9.13334911490108 -712000 ekin = 1.16423391784202 | erot = 1.33868945229471 | epot = -11.6362724849272 | etot = -9.13334911479043 -713000 ekin = 1.14681758773388 | erot = 1.35466305351125 | epot = -11.634829755923 | etot = -9.13334911467782 -714000 ekin = 1.12724173590936 | erot = 1.37373509014309 | epot = -11.6343259406299 | etot = -9.13334911457743 -715000 ekin = 1.10624050750221 | erot = 1.39681075798059 | epot = -11.636400379986 | etot = -9.13334911450316 -716000 ekin = 1.08449847089202 | erot = 1.42446438144908 | epot = -11.6423119668073 | etot = -9.13334911446624 -717000 ekin = 1.06262586730476 | erot = 1.45678801963507 | epot = -11.6527630014134 | etot = -9.13334911447358 -718000 ekin = 1.04116056517941 | erot = 1.49328580499488 | epot = -11.6677954846997 | etot = -9.13334911452541 -719000 ekin = 1.02059756446808 | erot = 1.53283565407152 | epot = -11.6867823331548 | etot = -9.1333491146152 -720000 ekin = 1.0014427609145 | erot = 1.57373478108394 | epot = -11.7085266567279 | etot = -9.13334911472945 -721000 ekin = 0.984282698240367 | erot = 1.61383653731675 | epot = -11.7314683504059 | etot = -9.13334911484873 -722000 ekin = 0.969856334574407 | erot = 1.65076935459341 | epot = -11.7539748041227 | etot = -9.13334911495492 -723000 ekin = 0.959109074095759 | erot = 1.68219090541347 | epot = -11.7746490945311 | etot = -9.13334911502187 -724000 ekin = 0.953206498551804 | erot = 1.70610525280783 | epot = -11.7926608663973 | etot = -9.13334911503771 -725000 ekin = 0.953487871458015 | erot = 1.72112406445722 | epot = -11.8079610509135 | etot = -9.13334911499828 -726000 ekin = 0.961348420448175 | erot = 1.7266421875677 | epot = -11.8213397229277 | etot = -9.13334911491184 -727000 ekin = 0.978055186999046 | erot = 1.72290320033124 | epot = -11.8343075021266 | etot = -9.13334911479628 -728000 ekin = 1.00452582497673 | erot = 1.71095374107487 | epot = -11.8488286807248 | etot = -9.13334911467315 -729000 ekin = 1.04110137579934 | erot = 1.69252215341149 | epot = -11.8669726437798 | etot = -9.13334911456893 -730000 ekin = 1.08735958690386 | erot = 1.66981008958264 | epot = -11.890518790993 | etot = -9.13334911450653 -731000 ekin = 1.1420041837516 | erot = 1.64524141706267 | epot = -11.920594715318 | etot = -9.1333491145037 -732000 ekin = 1.20285318014365 | erot = 1.62119095713356 | epot = -11.9573932518487 | etot = -9.13334911457145 -733000 ekin = 1.26692596391617 | erot = 1.5997652891012 | epot = -12.0000403677204 | etot = -9.13334911470305 -734000 ekin = 1.33064406418141 | erot = 1.58254289880734 | epot = -12.0465360778975 | etot = -9.13334911490875 -735000 ekin = 1.39013484388619 | erot = 1.57032898633438 | epot = -12.0938129453804 | etot = -9.13334911515982 -736000 ekin = 1.44157509139699 | erot = 1.56317476788781 | epot = -12.1380989747131 | etot = -9.13334911542835 -737000 ekin = 1.48157845589818 | erot = 1.56044545881657 | epot = -12.1753730303924 | etot = -9.13334911567769 -738000 ekin = 1.50757504378139 | erot = 1.56100911667208 | epot = -12.2019332763223 | etot = -9.13334911586887 -739000 ekin = 1.51813561812423 | erot = 1.56352092529645 | epot = -12.2150056593871 | etot = -9.13334911596644 -740000 ekin = 1.5131891484932 | erot = 1.56675183785207 | epot = -12.2132901022912 | etot = -9.13334911594598 -741000 ekin = 1.49408865830106 | erot = 1.56989906104169 | epot = -12.1973368351425 | etot = -9.13334911579973 -742000 ekin = 1.46350061535612 | erot = 1.57280025700805 | epot = -12.1696499879058 | etot = -9.13334911554164 -743000 ekin = 1.42512524133835 | erot = 1.5759331060082 | epot = -12.1344074625141 | etot = -9.13334911516755 -744000 ekin = 1.38338487585248 | erot = 1.58054361278335 | epot = -12.0972776034333 | etot = -9.13334911479746 -745000 ekin = 1.34281951273925 | erot = 1.58823582840579 | epot = -12.0644044556005 | etot = -9.13334911445543 -746000 ekin = 1.3074733476531 | erot = 1.60047096980707 | epot = -12.041293431658 | etot = -9.13334911419779 -747000 ekin = 1.28046646005374 | erot = 1.61821768665581 | epot = -12.0320332608023 | etot = -9.13334911409271 -748000 ekin = 1.26367955923549 | erot = 1.64132893143149 | epot = -12.0383576048368 | etot = -9.13334911416977 -749000 ekin = 1.25742934419916 | erot = 1.66831440024107 | epot = -12.0590928588777 | etot = -9.1333491144375 -750000 ekin = 1.26047795507714 | erot = 1.69628448614349 | epot = -12.0901115560711 | etot = -9.13334911485048 -751000 ekin = 1.27026186447005 | erot = 1.72133386885556 | epot = -12.1249448486651 | etot = -9.13334911533951 -752000 ekin = 1.28339547086213 | erot = 1.7391907550537 | epot = -12.1559353417243 | etot = -9.13334911580849 -753000 ekin = 1.29635957466465 | erot = 1.74596876191514 | epot = -12.1756774527986 | etot = -9.1333491162188 -754000 ekin = 1.30599158740738 | erot = 1.73885024062937 | epot = -12.1781909444246 | etot = -9.13334911638781 -755000 ekin = 1.31024888115925 | erot = 1.71683511467824 | epot = -12.1604331121785 | etot = -9.13334911634098 -756000 ekin = 1.30846938321297 | erot = 1.68097972249326 | epot = -12.1227982217976 | etot = -9.13334911609136 -757000 ekin = 1.30124985041155 | erot = 1.63419006476318 | epot = -12.0687890308635 | etot = -9.13334911568874 -758000 ekin = 1.29019641090291 | erot = 1.58073563388876 | epot = -12.0042811599956 | etot = -9.13334911520392 -759000 ekin = 1.27761222227388 | erot = 1.52554636406421 | epot = -11.9365077010364 | etot = -9.13334911469834 -760000 ekin = 1.26609069506515 | erot = 1.47348693038562 | epot = -11.8729267397093 | etot = -9.13334911425857 -761000 ekin = 1.25808964011373 | erot = 1.42869550462559 | epot = -11.8201342586628 | etot = -9.13334911392351 -762000 ekin = 1.2557222220027 | erot = 1.39407442311413 | epot = -11.7831457588655 | etot = -9.13334911374866 -763000 ekin = 1.26054534569423 | erot = 1.37090045944292 | epot = -11.7647949188326 | etot = -9.13334911369551 -764000 ekin = 1.27353435439597 | erot = 1.35887199086497 | epot = -11.7657554590525 | etot = -9.13334911379152 -765000 ekin = 1.29496682599499 | erot = 1.35616457698383 | epot = -11.7844805169715 | etot = -9.13334911399271 -766000 ekin = 1.32454629041756 | erot = 1.35977679503123 | epot = -11.8176721997117 | etot = -9.13334911426287 -767000 ekin = 1.36163954271379 | erot = 1.36618632224179 | epot = -11.8611749795103 | etot = -9.13334911455469 -768000 ekin = 1.40531019892094 | erot = 1.37181010083784 | epot = -11.9104694145876 | etot = -9.13334911482879 -769000 ekin = 1.45446512868536 | erot = 1.37353498051673 | epot = -11.9613492242422 | etot = -9.13334911504015 -770000 ekin = 1.50793050151783 | erot = 1.36921125650349 | epot = -12.0104908732572 | etot = -9.13334911523587 -771000 ekin = 1.56389616692798 | erot = 1.35775090661774 | epot = -12.0549961888034 | etot = -9.13334911525767 -772000 ekin = 1.62113703503969 | erot = 1.33970323505823 | epot = -12.0941893852864 | etot = -9.13334911518849 -773000 ekin = 1.67872851568979 | erot = 1.3170298298989 | epot = -12.1291074606507 | etot = -9.13334911506197 -774000 ekin = 1.73569257108243 | erot = 1.29264163251396 | epot = -12.1616833185185 | etot = -9.13334911492206 -775000 ekin = 1.79085656132941 | erot = 1.26988000053024 | epot = -12.1940856766708 | etot = -9.13334911481117 -776000 ekin = 1.84276100467541 | erot = 1.25197534039084 | epot = -12.2280854598246 | etot = -9.13334911475839 -777000 ekin = 1.88967118603039 | erot = 1.24159765892512 | epot = -12.2646179597273 | etot = -9.1333491147718 -778000 ekin = 1.9297162225995 | erot = 1.24057583215499 | epot = -12.303641169595 | etot = -9.13334911484054 -779000 ekin = 1.9611316425415 | erot = 1.24980912494295 | epot = -12.3442898824248 | etot = -9.13334911494038 -780000 ekin = 1.98254203385539 | erot = 1.26932045667715 | epot = -12.3852116055761 | etot = -9.13334911504356 -781000 ekin = 1.9932140640502 | erot = 1.29840823519191 | epot = -12.4249714143716 | etot = -9.13334911512951 -782000 ekin = 1.99321095940136 | erot = 1.33580885492537 | epot = -12.4623689295147 | etot = -9.13334911518796 -783000 ekin = 1.98342491292877 | erot = 1.37983642298654 | epot = -12.4966104511329 | etot = -9.13334911521759 -784000 ekin = 1.96551238429458 | erot = 1.42849371621366 | epot = -12.5273552156782 | etot = -9.13334911516994 -785000 ekin = 1.94195910111536 | erot = 1.4796134882178 | epot = -12.5549217044944 | etot = -9.13334911516124 -786000 ekin = 1.91549982325668 | erot = 1.53087711626571 | epot = -12.5797260546585 | etot = -9.13334911513609 -787000 ekin = 1.88902915932762 | erot = 1.57997565975501 | epot = -12.6023539341757 | etot = -9.13334911509307 -788000 ekin = 1.8655374655374 | erot = 1.62478646024939 | epot = -12.6236730408243 | etot = -9.13334911503753 -789000 ekin = 1.84793067283938 | erot = 1.66350572426187 | epot = -12.6447855120654 | etot = -9.13334911496417 -790000 ekin = 1.83884831411928 | erot = 1.69477325871393 | epot = -12.6669706877276 | etot = -9.13334911489441 -791000 ekin = 1.84038435201287 | erot = 1.717681278482 | epot = -12.6914147453501 | etot = -9.1333491148552 -792000 ekin = 1.85374621231071 | erot = 1.73169683790039 | epot = -12.7187921650887 | etot = -9.13334911487764 -793000 ekin = 1.87892178729581 | erot = 1.7365357692381 | epot = -12.7488066715196 | etot = -9.13334911498573 -794000 ekin = 1.9144051004538 | erot = 1.73204169927541 | epot = -12.7797959149079 | etot = -9.13334911517866 -795000 ekin = 1.95726697872445 | erot = 1.7181897621696 | epot = -12.8088058563145 | etot = -9.13334911542047 -796000 ekin = 2.00360851779741 | erot = 1.69525335458669 | epot = -12.8322109880317 | etot = -9.13334911564764 -797000 ekin = 2.04914358120541 | erot = 1.66405946741293 | epot = -12.8465521644082 | etot = -9.13334911578984 -798000 ekin = 2.08995546227646 | erot = 1.62623745951928 | epot = -12.8495420375983 | etot = -9.13334911580259 -799000 ekin = 2.12309292251455 | erot = 1.58427028115591 | epot = -12.8407123193571 | etot = -9.13334911568662 -800000 ekin = 2.14682990847798 | erot = 1.54126138558611 | epot = -12.8214404095459 | etot = -9.13334911548182 -801000 ekin = 2.16058282773072 | erot = 1.50048202046291 | epot = -12.7944139634394 | etot = -9.13334911524581 -802000 ekin = 2.16461511109769 | erot = 1.46486615502033 | epot = -12.7628303811484 | etot = -9.13334911503038 -803000 ekin = 2.15969104316893 | erot = 1.43661335441228 | epot = -12.7296535124497 | etot = -9.13334911486855 -804000 ekin = 2.14679128688362 | erot = 1.41698988507324 | epot = -12.697130286716 | etot = -9.13334911475917 -805000 ekin = 2.12692065944467 | erot = 1.40638520513925 | epot = -12.6666549793083 | etot = -9.13334911472434 -806000 ekin = 2.10099028264049 | erot = 1.40422932574232 | epot = -12.6385687231435 | etot = -9.13334911476072 -807000 ekin = 2.0698276384243 | erot = 1.40909451157967 | epot = -12.6122712648421 | etot = -9.1333491148381 -808000 ekin = 2.03419092298425 | erot = 1.41919422166235 | epot = -12.5867342595753 | etot = -9.13334911492871 -809000 ekin = 1.99478586656647 | erot = 1.4323885834066 | epot = -12.5605235650258 | etot = -9.13334911505277 -810000 ekin = 1.95230744547314 | erot = 1.44625258192792 | epot = -12.5319091425763 | etot = -9.13334911517529 -811000 ekin = 1.90747094189393 | erot = 1.45847148723586 | epot = -12.4992915444127 | etot = -9.13334911528296 -812000 ekin = 1.86102893103176 | erot = 1.4670396354885 | epot = -12.4614176818835 | etot = -9.13334911536329 -813000 ekin = 1.81416432243969 | erot = 1.47049868907969 | epot = -12.4180121266556 | etot = -9.13334911513622 -814000 ekin = 1.7690292616789 | erot = 1.46826739311699 | epot = -12.3706457700814 | etot = -9.13334911528547 -815000 ekin = 1.71533069952221 | erot = 1.45797598424745 | epot = -12.3066557947942 | etot = -9.13334911102453 -816000 ekin = 1.68468183703207 | erot = 1.43935942019696 | epot = -12.257390367637 | etot = -9.13334911040796 -817000 ekin = 1.67569540451596 | erot = 1.42022759193342 | epot = -12.2292721045984 | etot = -9.13334910814902 -818000 ekin = 1.65431804078292 | erot = 1.40071144600214 | epot = -12.1883785945463 | etot = -9.13334910776125 -819000 ekin = 1.63740188371185 | erot = 1.3825693171682 | epot = -12.1533203082661 | etot = -9.13334910738609 -820000 ekin = 1.62512170450201 | erot = 1.36928168852872 | epot = -12.127752500055 | etot = -9.13334910702429 -821000 ekin = 1.61915909097238 | erot = 1.36404110715767 | epot = -12.116549304838 | etot = -9.13334910670795 -822000 ekin = 1.62172343975997 | erot = 1.36925913747531 | epot = -12.1243316837534 | etot = -9.13334910651813 -823000 ekin = 1.63427494812674 | erot = 1.38616632190425 | epot = -12.1537903765404 | etot = -9.13334910650937 -824000 ekin = 1.65698382618117 | erot = 1.41459711184826 | epot = -12.2049300447226 | etot = -9.13334910669317 -825000 ekin = 1.68854753273754 | erot = 1.4530163184112 | epot = -12.2749129581874 | etot = -9.13334910703868 -826000 ekin = 1.72638863496182 | erot = 1.49875661578855 | epot = -12.3584943582387 | etot = -9.13334910748834 -827000 ekin = 1.76710423380894 | erot = 1.5483943923347 | epot = -12.4488477341201 | etot = -9.13334910797649 -828000 ekin = 1.80698482334212 | erot = 1.59818184900584 | epot = -12.5385157807928 | etot = -9.13334910844479 -829000 ekin = 1.84246939970371 | erot = 1.64447465717353 | epot = -12.6202931657229 | etot = -9.13334910884565 -830000 ekin = 1.87048980343784 | erot = 1.68412933438467 | epot = -12.6879682469633 | etot = -9.13334910914077 -831000 ekin = 1.88871335828315 | erot = 1.71486645417632 | epot = -12.7369289217598 | etot = -9.13334910930037 -832000 ekin = 1.89569916792215 | erot = 1.73558694751606 | epot = -12.7646352247433 | etot = -9.13334910930512 -833000 ekin = 1.89096344935919 | erot = 1.74659447551767 | epot = -12.7709070340313 | etot = -9.13334910915446 -834000 ekin = 1.87493429545044 | erot = 1.74964392180392 | epot = -12.7579273261441 | etot = -9.13334910888973 -835000 ekin = 1.84878280514188 | erot = 1.74762027308111 | epot = -12.7297521867477 | etot = -9.13334910852467 -836000 ekin = 1.81414476909458 | erot = 1.74421722088821 | epot = -12.6917110981233 | etot = -9.13334910814055 -837000 ekin = 1.77277875467178 | erot = 1.74335285139621 | epot = -12.6494807138721 | etot = -9.13334910780415 -838000 ekin = 1.72624445531291 | erot = 1.74841404792742 | epot = -12.6080076108072 | etot = -9.13334910756691 -839000 ekin = 1.67568816110695 | erot = 1.76165550554617 | epot = -12.5706927741087 | etot = -9.13334910745559 -840000 ekin = 1.62179135099361 | erot = 1.78387657046074 | epot = -12.5390170289109 | etot = -9.13334910745657 -841000 ekin = 1.56488441151228 | erot = 1.81456573943011 | epot = -12.5127992584808 | etot = -9.13334910753844 -842000 ekin = 1.50517399563012 | erot = 1.85205645865189 | epot = -12.4905795619798 | etot = -9.13334910769775 -843000 ekin = 1.44300548284013 | erot = 1.89358112522623 | epot = -12.4699357158733 | etot = -9.1333491078069 -844000 ekin = 1.37906620630961 | erot = 1.9363968518669 | epot = -12.4488121660479 | etot = -9.13334910787136 -845000 ekin = 1.31446352833253 | erot = 1.97812996436854 | epot = -12.4259426005726 | etot = -9.13334910787156 -846000 ekin = 1.2506869232932 | erot = 2.01700234954142 | epot = -12.4010383806382 | etot = -9.13334910780356 -847000 ekin = 1.18947724707827 | erot = 2.05204320492274 | epot = -12.3748695596767 | etot = -9.13334910767568 -848000 ekin = 1.13265732504563 | erot = 2.08314733278718 | epot = -12.3491537653375 | etot = -9.13334910750474 -849000 ekin = 1.08197657769804 | erot = 2.11099249695246 | epot = -12.3263181819604 | etot = -9.1333491073099 -850000 ekin = 1.03899924537826 | erot = 2.13684654285134 | epot = -12.3091948953427 | etot = -9.13334910711305 -851000 ekin = 1.00503792489466 | erot = 2.16230618699749 | epot = -12.3006932188269 | etot = -9.13334910693474 -852000 ekin = 0.981116857869625 | erot = 2.18901371773925 | epot = -12.3034796824018 | etot = -9.13334910679296 -853000 ekin = 0.967947652220943 | erot = 2.21839549972771 | epot = -12.3196922586521 | etot = -9.13334910670346 -854000 ekin = 0.965908910686514 | erot = 2.25145766401094 | epot = -12.3507156813713 | etot = -9.13334910667388 -855000 ekin = 0.975031148290714 | erot = 2.28866143868334 | epot = -12.3970416936804 | etot = -9.13334910670631 -856000 ekin = 0.994993726116716 | erot = 2.32988587266416 | epot = -12.4582287055777 | etot = -9.13334910679682 -857000 ekin = 1.02514000045904 | erot = 2.37447147764261 | epot = -12.5329605850375 | etot = -9.13334910693581 -858000 ekin = 1.06451194043056 | erot = 2.42132581263801 | epot = -12.619186860179 | etot = -9.13334910711044 -859000 ekin = 1.11189872921113 | erot = 2.46906217646869 | epot = -12.7143100129879 | etot = -9.13334910730811 -860000 ekin = 1.1658880043274 | erot = 2.51613734357253 | epot = -12.8153744554191 | etot = -9.13334910751921 -861000 ekin = 1.22490604809786 | erot = 2.56095681693251 | epot = -12.9192119727698 | etot = -9.13334910773946 -862000 ekin = 1.2872363258061 | erot = 2.60192847235973 | epot = -13.0225139061362 | etot = -9.1333491079704 -863000 ekin = 1.35101431938244 | erot = 2.63746581474711 | epot = -13.1218292423458 | etot = -9.13334910821624 -864000 ekin = 1.41420820518659 | erot = 2.66596355874005 | epot = -13.2135208724068 | etot = -9.13334910848016 -865000 ekin = 1.47460562928785 | erot = 2.6857819546387 | epot = -13.2937366926867 | etot = -9.13334910876018 -866000 ekin = 1.52983303720772 | erot = 2.69527584727129 | epot = -13.3584579935244 | etot = -9.13334910904542 -867000 ekin = 1.57743376516812 | erot = 2.6928893309621 | epot = -13.4036722054452 | etot = -9.13334910931502 -868000 ekin = 1.61502389037303 | erot = 2.67731200500682 | epot = -13.4256850049196 | etot = -9.13334910953978 -869000 ekin = 1.64053051308163 | erot = 2.6476662552779 | epot = -13.4215458780457 | etot = -9.13334910968619 -870000 ekin = 1.65249590024982 | erot = 2.60367561916209 | epot = -13.3895206291353 | etot = -9.13334910972337 -871000 ekin = 1.65040511753768 | erot = 2.54576053414292 | epot = -13.3295147613111 | etot = -9.1333491096305 -872000 ekin = 1.63497077370826 | erot = 2.47502461263164 | epot = -13.2433444957426 | etot = -9.13334910940269 -873000 ekin = 1.60829551086271 | erot = 2.39312864670762 | epot = -13.1347732666248 | etot = -9.1333491090545 -874000 ekin = 1.57383856497694 | erot = 2.30208675135929 | epot = -13.0092744249551 | etot = -9.13334910861885 -875000 ekin = 1.53613967512438 | erot = 2.20404109164597 | epot = -12.8735298749149 | etot = -9.1333491081445 -876000 ekin = 1.50030007471464 | erot = 2.10106901468353 | epot = -12.7347181970869 | etot = -9.13334910768869 -877000 ekin = 1.47128183650108 | erot = 1.99505592486885 | epot = -12.5996868686778 | etot = -9.13334910730782 -878000 ekin = 1.45315269235 | erot = 1.88764504253699 | epot = -12.4741468419323 | etot = -9.13334910704534 -879000 ekin = 1.4484500959266 | erot = 1.78026193724842 | epot = -12.3620611400946 | etot = -9.13334910691957 -880000 ekin = 1.45783397194386 | erot = 1.67420503622016 | epot = -12.2653881150821 | etot = -9.13334910691806 -881000 ekin = 1.48012455416753 | erot = 1.57078382964449 | epot = -12.1842574908138 | etot = -9.13334910700176 -882000 ekin = 1.51270015737059 | erot = 1.47147015192501 | epot = -12.1175194164142 | etot = -9.13334910711862 -883000 ekin = 1.55211568291773 | erot = 1.37801244883105 | epot = -12.0634772389701 | etot = -9.13334910722133 -884000 ekin = 1.59475301549695 | erot = 1.29246300163005 | epot = -12.0205651244067 | etot = -9.13334910727973 -885000 ekin = 1.63734681492245 | erot = 1.21709221485168 | epot = -11.9877881370588 | etot = -9.13334910728466 -886000 ekin = 1.6773121130015 | erot = 1.15420415260407 | epot = -11.9648653728497 | etot = -9.13334910724412 -887000 ekin = 1.71288068345535 | erot = 1.10590165063719 | epot = -11.9521314412674 | etot = -9.13334910717484 -888000 ekin = 1.74309500656915 | erot = 1.07385834530941 | epot = -11.950302458975 | etot = -9.13334910709643 -889000 ekin = 1.76770969091231 | erot = 1.05913784424334 | epot = -11.9601966421835 | etot = -9.13334910702782 -890000 ekin = 1.78703240996185 | erot = 1.06207375035186 | epot = -11.9824552673014 | etot = -9.13334910698768 -891000 ekin = 1.80172329224763 | erot = 1.08220747466305 | epot = -12.0172798739035 | etot = -9.13334910699285 -892000 ekin = 1.81257293682635 | erot = 1.11828058018264 | epot = -12.0642026240649 | etot = -9.13334910705593 -893000 ekin = 1.82028982711442 | erot = 1.16828769625092 | epot = -12.1219266305462 | etot = -9.13334910718089 -894000 ekin = 1.82533649728179 | erot = 1.22960280171653 | epot = -12.1882884063592 | etot = -9.13334910736086 -895000 ekin = 1.82785071659427 | erot = 1.2991877547128 | epot = -12.2603875788832 | etot = -9.13334910757614 -896000 ekin = 1.82766966747743 | erot = 1.37387583336524 | epot = -12.3348946086395 | etot = -9.13334910779684 -897000 ekin = 1.82444603807961 | erot = 1.45069893544394 | epot = -12.4084940815133 | etot = -9.13334910798977 -898000 ekin = 1.81781661005541 | erot = 1.52720356356609 | epot = -12.4783692817485 | etot = -9.13334910812701 -899000 ekin = 1.80756915109155 | erot = 1.60168843028858 | epot = -12.5426066895729 | etot = -9.13334910819277 -900000 ekin = 1.79375843955379 | erot = 1.67330364931526 | epot = -12.6004111970576 | etot = -9.13334910818851 -901000 ekin = 1.77674318475336 | erot = 1.74197941465947 | epot = -12.6520717075445 | etot = -9.13334910813171 -902000 ekin = 1.75714245727909 | erot = 1.80819394408805 | epot = -12.6986855094183 | etot = -9.13334910805119 -903000 ekin = 1.7357334444054 | erot = 1.87263325992122 | epot = -12.7417158123058 | etot = -9.13334910797918 -904000 ekin = 1.71332625907535 | erot = 1.93582474193924 | epot = -12.782500108957 | etot = -9.13334910794242 -905000 ekin = 1.69065428569354 | erot = 1.99783248441353 | epot = -12.8218358780628 | etot = -9.1333491079557 -906000 ekin = 1.66831072855137 | erot = 2.05808381419499 | epot = -12.8597436507661 | etot = -9.13334910801975 -907000 ekin = 1.64674588303028 | erot = 2.11535919823548 | epot = -12.8954541893857 | etot = -9.13334910811994 -908000 ekin = 1.62631907113306 | erot = 2.16793324012268 | epot = -12.9276014194903 | etot = -9.13334910823454 -909000 ekin = 1.60738004099874 | erot = 2.21381581983028 | epot = -12.9545449691698 | etot = -9.13334910834077 -910000 ekin = 1.59034402491101 | erot = 2.25102295600898 | epot = -12.9747160893416 | etot = -9.13334910842156 -911000 ekin = 1.57572782710831 | erot = 2.27781488082938 | epot = -12.9868918164058 | etot = -9.13334910846814 -912000 ekin = 1.5641305468329 | erot = 2.29287003004535 | epot = -12.9903496853576 | etot = -9.13334910847936 -913000 ekin = 1.5561639873769 | erot = 2.29539983334633 | epot = -12.9849129291808 | etot = -9.13334910845755 -914000 ekin = 1.55235379274342 | erot = 2.2852276038725 | epot = -12.970930505022 | etot = -9.13334910840612 -915000 ekin = 1.55303636075847 | erot = 2.26284508697262 | epot = -12.94923055606 | etot = -9.13334910832891 -916000 ekin = 1.5582700337321 | erot = 2.22943339360812 | epot = -12.9210525355727 | etot = -9.13334910823245 -917000 ekin = 1.567769240557 | erot = 2.18681551598724 | epot = -12.8879338646715 | etot = -9.13334910812723 -918000 ekin = 1.58086450735443 | erot = 2.13731406706596 | epot = -12.8515276824492 | etot = -9.1333491080288 -919000 ekin = 1.5964919092129 | erot = 2.08351907893934 | epot = -12.8133600961054 | etot = -9.13334910795319 -920000 ekin = 1.613218928833 | erot = 2.02800735916595 | epot = -12.7745753959116 | etot = -9.13334910791269 -921000 ekin = 1.62931395437424 | erot = 1.97307497750711 | epot = -12.7357380397945 | etot = -9.13334910791311 -922000 ekin = 1.64286104746403 | erot = 1.9205387034094 | epot = -12.6967488588242 | etot = -9.13334910795072 -923000 ekin = 1.65191234390798 | erot = 1.87163759208079 | epot = -12.6568990440028 | etot = -9.13334910801399 -924000 ekin = 1.65466206201181 | erot = 1.82703710613301 | epot = -12.6150482762312 | etot = -9.1333491080864 -925000 ekin = 1.64962158356019 | erot = 1.7869168012849 | epot = -12.5698874929949 | etot = -9.13334910814982 -926000 ekin = 1.63577435705856 | erot = 1.75111283230762 | epot = -12.5202362975531 | etot = -9.13334910818689 -927000 ekin = 1.61269412580932 | erot = 1.71928618607917 | epot = -12.4653294200718 | etot = -9.13334910818336 -928000 ekin = 1.58061327338363 | erot = 1.69109387512973 | epot = -12.4050562566428 | etot = -9.13334910812944 -929000 ekin = 1.54043465718537 | erot = 1.66634444993708 | epot = -12.3401282151431 | etot = -9.1333491080206 -930000 ekin = 1.49368612296874 | erot = 1.64511875929371 | epot = -12.272153990122 | etot = -9.13334910785959 -931000 ekin = 1.44242020035585 | erot = 1.62783092394188 | epot = -12.2036002319551 | etot = -9.13334910765736 -932000 ekin = 1.38906420477755 | erot = 1.6152004876811 | epot = -12.1376137998939 | etot = -9.13334910743527 -933000 ekin = 1.33622958395961 | erot = 1.60811568410308 | epot = -12.0776943752853 | etot = -9.13334910722259 -934000 ekin = 1.2864948698278 | erot = 1.60739378972964 | epot = -12.0272377666119 | etot = -9.13334910705443 -935000 ekin = 1.24218246525189 | erot = 1.61347919083567 | epot = -11.9890107630518 | etot = -9.13334910696425 -936000 ekin = 1.20515312897568 | erot = 1.62614770366198 | epot = -11.9646499396149 | etot = -9.13334910697722 -937000 ekin = 1.17664231216342 | erot = 1.64429583354988 | epot = -11.954287252818 | etot = -9.13334910710468 -938000 ekin = 1.15716006420355 | erot = 1.66588444175493 | epot = -11.956393613298 | etot = -9.13334910733952 -939000 ekin = 1.1464717171079 | erot = 1.68810326831979 | epot = -11.9679240930744 | etot = -9.13334910764671 -940000 ekin = 1.14367004080966 | erot = 1.70771457433986 | epot = -11.9847337231458 | etot = -9.13334910799624 -941000 ekin = 1.14733884563068 | erot = 1.72149292700232 | epot = -12.0021808809547 | etot = -9.13334910832172 -942000 ekin = 1.15580134680235 | erot = 1.72687300440463 | epot = -12.0160234597692 | etot = -9.13334910856219 -943000 ekin = 1.1674372951318 | erot = 1.72249936625656 | epot = -12.0232857700532 | etot = -9.13334910866488 -944000 ekin = 1.18103106474372 | erot = 1.70858712464011 | epot = -12.022967297985 | etot = -9.13334910860112 -945000 ekin = 1.19606804453646 | erot = 1.68696892706896 | epot = -12.0163860799882 | etot = -9.13334910838277 -946000 ekin = 1.21284058109418 | erot = 1.66075870249184 | epot = -12.006948391658 | etot = -9.13334910807199 -947000 ekin = 1.23222210572278 | erot = 1.6336701113943 | epot = -11.9992413248879 | etot = -9.13334910777082 -948000 ekin = 1.25509690715209 | erot = 1.60916358071798 | epot = -11.9976095954562 | etot = -9.13334910758614 -949000 ekin = 1.28167104220565 | erot = 1.58969080393768 | epot = -12.0047109537229 | etot = -9.13334910757956 -950000 ekin = 1.31105510038024 | erot = 1.57628415674479 | epot = -12.0206883648626 | etot = -9.13334910773754 -951000 ekin = 1.34140314928621 | erot = 1.56859135849714 | epot = -12.0433436157658 | etot = -9.13334910798244 -952000 ekin = 1.37054117668943 | erot = 1.56526000759068 | epot = -12.0691502925011 | etot = -9.13334910822102 -953000 ekin = 1.39670348101787 | erot = 1.56444621742151 | epot = -12.0944988068312 | etot = -9.13334910839178 -954000 ekin = 1.418975292381 | erot = 1.56423287014588 | epot = -12.1165572710088 | etot = -9.13334910848189 -955000 ekin = 1.43729048070642 | erot = 1.56287479952712 | epot = -12.1335143887448 | etot = -9.13334910851126 -956000 ekin = 1.4521106633277 | erot = 1.5589293854746 | epot = -12.1443891573079 | etot = -9.13334910850558 -957000 ekin = 1.46402190623311 | erot = 1.55132217595963 | epot = -12.1486931906758 | etot = -9.1333491084831 -958000 ekin = 1.47342593725724 | erot = 1.53954965711569 | epot = -12.1463247028086 | etot = -9.13334910843571 -959000 ekin = 1.48038578494991 | erot = 1.52394133601144 | epot = -12.1376762293203 | etot = -9.1333491083589 -960000 ekin = 1.48460604034119 | erot = 1.50575363436951 | epot = -12.123708782956 | etot = -9.13334910824526 -961000 ekin = 1.48549975936096 | erot = 1.48721075412105 | epot = -12.1060596215745 | etot = -9.1333491080925 -962000 ekin = 1.48229853496308 | erot = 1.47141202583098 | epot = -12.0870596687005 | etot = -9.13334910790645 -963000 ekin = 1.4741760327198 | erot = 1.46210240867199 | epot = -12.0696275490933 | etot = -9.13334910770152 -964000 ekin = 1.46036644524797 | erot = 1.46332191688881 | epot = -12.0570374696332 | etot = -9.13334910749639 -965000 ekin = 1.44026662181698 | erot = 1.47896324786388 | epot = -12.0525789769985 | etot = -9.13334910731761 -966000 ekin = 1.41351583400278 | erot = 1.51227943251815 | epot = -12.0591443737115 | etot = -9.13334910719058 -967000 ekin = 1.38005134111899 | erot = 1.56539665062779 | epot = -12.0787970988869 | etot = -9.13334910714008 -968000 ekin = 1.34025482724314 | erot = 1.6388568627753 | epot = -12.1124607971947 | etot = -9.13334910717624 -969000 ekin = 1.29476921981363 | erot = 1.73132793710989 | epot = -12.1594462642464 | etot = -9.13334910732287 -970000 ekin = 1.24442005392726 | erot = 1.83972520712881 | epot = -12.217494368596 | etot = -9.1333491075399 -971000 ekin = 1.19046696427247 | erot = 1.95943091409806 | epot = -12.2832469861666 | etot = -9.13334910779604 -972000 ekin = 1.13463097113647 | erot = 2.08475088502996 | epot = -12.3527309642158 | etot = -9.13334910804932 -973000 ekin = 1.07911059567858 | erot = 2.20953944502461 | epot = -12.4219991489609 | etot = -9.13334910825774 -974000 ekin = 1.02657367041557 | erot = 2.32774347840719 | epot = -12.4876662572468 | etot = -9.13334910842406 -975000 ekin = 0.979977932768277 | erot = 2.43392801404807 | epot = -12.5472550553029 | etot = -9.13334910848655 -976000 ekin = 0.942304887100931 | erot = 2.52399013956154 | epot = -12.5996441351357 | etot = -9.13334910847322 -977000 ekin = 0.916335295707905 | erot = 2.59517570124579 | epot = -12.6448601053641 | etot = -9.13334910841037 -978000 ekin = 0.90431642289399 | erot = 2.64601698758131 | epot = -12.6836825188069 | etot = -9.13334910833155 -979000 ekin = 0.907654941511536 | erot = 2.67612704045953 | epot = -12.7171310902397 | etot = -9.13334910826865 -980000 ekin = 0.926700183439006 | erot = 2.68592744664022 | epot = -12.7459767383234 | etot = -9.1333491082442 -981000 ekin = 0.960659745242456 | erot = 2.67638285527366 | epot = -12.7703917087825 | etot = -9.13334910826642 -982000 ekin = 1.00766017971475 | erot = 2.64879736700748 | epot = -12.7898066550524 | etot = -9.13334910833016 -983000 ekin = 1.06493892794398 | erot = 2.60470505315865 | epot = -12.8029930895196 | etot = -9.13334910841693 -984000 ekin = 1.12913508942297 | erot = 2.54586103455185 | epot = -12.8083452324744 | etot = -9.13334910849963 -985000 ekin = 1.19663599745843 | erot = 2.47431116851685 | epot = -12.804296274524 | etot = -9.13334910854871 -986000 ekin = 1.26393164267929 | erot = 2.3924915963827 | epot = -12.7897723476014 | etot = -9.13334910853942 -987000 ekin = 1.32792910236552 | erot = 2.30329384117171 | epot = -12.764572051996 | etot = -9.13334910845872 -988000 ekin = 1.38618594051916 | erot = 2.21003704541292 | epot = -12.7295720942411 | etot = -9.133349108309 -989000 ekin = 1.43703663165432 | erot = 2.1163177663603 | epot = -12.6867035061219 | etot = -9.13334910810728 -990000 ekin = 1.47960743026485 | erot = 2.02574976476465 | epot = -12.6387063029103 | etot = -9.13334910788076 -991000 ekin = 1.51373724652975 | erot = 1.94164272477107 | epot = -12.5887290789609 | etot = -9.13334910766011 -992000 ekin = 1.53983818593236 | erot = 1.86668512516266 | epot = -12.539872418568 | etot = -9.13334910747295 -993000 ekin = 1.55873490674598 | erot = 1.8026898200528 | epot = -12.4947738341376 | etot = -9.13334910733883 -994000 ekin = 1.57151651515921 | erot = 1.75043914206067 | epot = -12.4553047644873 | etot = -9.13334910726744 -995000 ekin = 1.57942173437226 | erot = 1.70964079469052 | epot = -12.4224116363224 | etot = -9.13334910725962 -996000 ekin = 1.58376261673973 | erot = 1.67898574512825 | epot = -12.3960974691761 | etot = -9.1333491073081 -997000 ekin = 1.58587878576943 | erot = 1.65629050260393 | epot = -12.3755183957746 | etot = -9.1333491074012 -998000 ekin = 1.58710748473035 | erot = 1.63870906510968 | epot = -12.3591656573628 | etot = -9.13334910752281 -999000 ekin = 1.58875603201178 | erot = 1.62299637538288 | epot = -12.3451015150516 | etot = -9.13334910765698 -1000000 ekin = 1.59207001216863 | erot = 1.60581739807408 | epot = -12.3312365180243 | etot = -9.13334910778154 - 1000000 0.11793111 -1.2674127 0.034288999 -1.0739167 -1.3883882e-05 64000 -Loop time of 14.6434 on 1 procs for 1000000 steps with 10 atoms - -Performance: 59002.538 tau/day, 68289.974 timesteps/s -99.7% CPU use with 1 MPI tasks x no OpenMP threads - -MPI task timing breakdown: -Section | min time | avg time | max time |%varavg| %total ---------------------------------------------------------------- -Pair | 12.032 | 12.032 | 12.032 | 0.0 | 82.17 -Bond | 0.59079 | 0.59079 | 0.59079 | 0.0 | 4.03 -Neigh | 0.018165 | 0.018165 | 0.018165 | 0.0 | 0.12 -Comm | 0.18074 | 0.18074 | 0.18074 | 0.0 | 1.23 -Output | 0.097602 | 0.097602 | 0.097602 | 0.0 | 0.67 -Modify | 1.47 | 1.47 | 1.47 | 0.0 | 10.04 -Other | | 0.2538 | | | 1.73 - -Nlocal: 10.0000 ave 10 max 10 min -Histogram: 1 0 0 0 0 0 0 0 0 0 -Nghost: 0.00000 ave 0 max 0 min -Histogram: 1 0 0 0 0 0 0 0 0 0 -Neighs: 37.0000 ave 37 max 37 min -Histogram: 1 0 0 0 0 0 0 0 0 0 - -Total # of neighbors = 37 -Ave neighs/atom = 3.7000000 -Ave special neighs/atom = 3.6000000 -Neighbor list builds = 1000 -Dangerous builds = 0 - -write_data last_config.${number}.* nocoeff -write_data last_config.1.* nocoeff -System init for write_data ... -Total wall time: 0:00:14 diff --git a/examples/PACKAGES/cgdna/examples/oxDNA/duplex1/log.27May21.duplex1.g++.4 b/examples/PACKAGES/cgdna/examples/oxDNA/duplex1/log.27May21.duplex1.g++.4 deleted file mode 100644 index da1a98817b..0000000000 --- a/examples/PACKAGES/cgdna/examples/oxDNA/duplex1/log.27May21.duplex1.g++.4 +++ /dev/null @@ -1,1170 +0,0 @@ -LAMMPS (27 May 2021) -variable number equal 1 -variable ofreq equal 1000 -variable efreq equal 1000 -variable T equal 0.1 - -units lj - -dimension 3 - -newton off - -boundary p p p - -atom_style hybrid bond ellipsoid oxdna -WARNING: Atom style hybrid defines both, per-type and per-atom masses; both must be set, but only per-atom masses will be used (../atom_vec_hybrid.cpp:157) -atom_modify sort 0 1.0 - -# Pair interactions require lists of neighbours to be calculated -neighbor 2.0 bin -neigh_modify every 1 delay 0 check yes - -read_data data.duplex1 -Reading data file ... - orthogonal box = (-20.000000 -20.000000 -20.000000) to (20.000000 20.000000 20.000000) - 1 by 2 by 2 MPI processor grid - reading atoms ... - 10 atoms - reading velocities ... - 10 velocities - scanning bonds ... - 2 = max bonds/atom - 10 ellipsoids - reading bonds ... - 8 bonds -Finding 1-2 1-3 1-4 neighbors ... - special bond factors lj: 0 0 0 - special bond factors coul: 0 0 0 - 2 = max # of 1-2 neighbors - 2 = max # of 1-3 neighbors - 2 = max # of 1-4 neighbors - 4 = max # of special neighbors - special bonds CPU = 0.001 seconds - read_data CPU = 0.005 seconds - -set atom * mass 3.1575 -Setting atom values ... - 10 settings made for mass - -group all type 1 4 -10 atoms in group all - -# oxDNA bond interactions - FENE backbone -bond_style oxdna/fene -bond_coeff * 2.0 0.25 0.7525 -special_bonds lj 0 1 1 -Finding 1-2 1-3 1-4 neighbors ... - special bond factors lj: 0 1 1 - special bond factors coul: 0 0 0 - 2 = max # of 1-2 neighbors - 2 = max # of 1-3 neighbors - 2 = max # of 1-4 neighbors - 4 = max # of special neighbors - special bonds CPU = 0.000 seconds - -# oxDNA pair interactions -pair_style hybrid/overlay oxdna/excv oxdna/stk oxdna/hbond oxdna/xstk oxdna/coaxstk -pair_coeff * * oxdna/excv 2.0 0.7 0.675 2.0 0.515 0.5 2.0 0.33 0.32 -pair_coeff * * oxdna/stk seqav ${T} 1.3448 2.6568 6.0 0.4 0.9 0.32 0.75 1.3 0 0.8 0.9 0 0.95 0.9 0 0.95 2.0 0.65 2.0 0.65 -pair_coeff * * oxdna/stk seqav 0.1 1.3448 2.6568 6.0 0.4 0.9 0.32 0.75 1.3 0 0.8 0.9 0 0.95 0.9 0 0.95 2.0 0.65 2.0 0.65 -pair_coeff * * oxdna/hbond seqav 0.0 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 -pair_coeff 1 4 oxdna/hbond seqav 1.077 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 -pair_coeff 2 3 oxdna/hbond seqav 1.077 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 -pair_coeff * * oxdna/xstk 47.5 0.575 0.675 0.495 0.655 2.25 0.791592653589793 0.58 1.7 1.0 0.68 1.7 1.0 0.68 1.5 0 0.65 1.7 0.875 0.68 1.7 0.875 0.68 -pair_coeff * * oxdna/coaxstk 46.0 0.4 0.6 0.22 0.58 2.0 2.541592653589793 0.65 1.3 0 0.8 0.9 0 0.95 0.9 0 0.95 2.0 -0.65 2.0 -0.65 - -# NVE ensemble -fix 1 all nve/asphere -#fix 2 all langevin ${T} ${T} 2.5 457145 angmom 10 - -timestep 1e-5 - -#comm_style tiled -fix 3 all balance 1000 1.03 shift xyz 10 1.03 -comm_modify cutoff 3.8 - -compute quat all property/atom quatw quati quatj quatk - -compute erot all erotate/asphere -compute ekin all ke -compute epot all pe -variable erot equal c_erot -variable ekin equal c_ekin -variable epot equal c_epot -variable etot equal c_erot+c_ekin+c_epot -fix 5 all print ${efreq} "$(step) ekin = ${ekin} | erot = ${erot} | epot = ${epot} | etot = ${etot}" screen yes -fix 5 all print 1000 "$(step) ekin = ${ekin} | erot = ${erot} | epot = ${epot} | etot = ${etot}" screen yes - -dump out all custom ${ofreq} out.${number}.lammpstrj id mol type x y z ix iy iz vx vy vz c_quat[1] c_quat[2] c_quat[3] c_quat[4] angmomx angmomy angmomz -dump out all custom 1000 out.${number}.lammpstrj id mol type x y z ix iy iz vx vy vz c_quat[1] c_quat[2] c_quat[3] c_quat[4] angmomx angmomy angmomz -dump out all custom 1000 out.1.lammpstrj id mol type x y z ix iy iz vx vy vz c_quat[1] c_quat[2] c_quat[3] c_quat[4] angmomx angmomy angmomz -dump_modify out sort id -dump_modify out format line "%d %d %d %22.15le %22.15le %22.15le %d %d %d %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le" - -run 1000000 -Neighbor list info ... - update every 1 steps, delay 0 steps, check yes - max neighbors/atom: 2000, page size: 100000 - master list distance cutoff = 2.9560004 - ghost atom cutoff = 3.8 - binsize = 1.4780002, bins = 28 28 28 - 4 neighbor lists, perpetual/occasional/extra = 4 0 0 - (1) pair oxdna/excv, perpetual - attributes: half, newton off - pair build: half/bin/newtoff - stencil: full/bin/3d - bin: standard - (2) pair oxdna/hbond, perpetual, copy from (1) - attributes: half, newton off - pair build: copy - stencil: none - bin: none - (3) pair oxdna/xstk, perpetual, copy from (1) - attributes: half, newton off - pair build: copy - stencil: none - bin: none - (4) pair oxdna/coaxstk, perpetual, copy from (1) - attributes: half, newton off - pair build: copy - stencil: none - bin: none -0 ekin = 1.10853632272819 | erot = 2.81573649976629 | epot = -13.057621953437 | etot = -9.13334913094248 -Per MPI rank memory allocation (min/avg/max) = 9.105 | 9.111 | 9.117 Mbytes -Step Temp E_pair E_mol TotEng Press Volume - 0 0.082113802 -1.3488546 0.043092397 -1.1949086 -4.6816211e-05 64000 -1000 ekin = 1.08024346604046 | erot = 2.90873406534668 | epot = -13.1223266626202 | etot = -9.1333491312331 -2000 ekin = 1.05028450914436 | erot = 2.98006324808558 | epot = -13.1636968886591 | etot = -9.13334913142917 -3000 ekin = 1.01964458529397 | erot = 3.02592193798632 | epot = -13.1789156547658 | etot = -9.13334913148548 -4000 ekin = 0.989515033089525 | erot = 3.04428486059471 | epot = -13.1671490250723 | etot = -9.1333491313881 -5000 ekin = 0.961283929687808 | erot = 3.03510855539557 | epot = -13.1297416162282 | etot = -9.13334913114479 -6000 ekin = 0.936412193404227 | erot = 3.00022299571976 | epot = -13.0699843199583 | etot = -9.13334913083429 -7000 ekin = 0.916233699107936 | erot = 2.94277134440162 | epot = -12.9923541739966 | etot = -9.13334913048706 -8000 ekin = 0.901760662506231 | erot = 2.86671228744167 | epot = -12.9018220800865 | etot = -9.13334913013858 -9000 ekin = 0.893571390067841 | erot = 2.77649686780609 | epot = -12.8034173876806 | etot = -9.13334912980669 -10000 ekin = 0.891805685056811 | erot = 2.67686855006738 | epot = -12.7020233645916 | etot = -9.13334912946736 -11000 ekin = 0.89624355799356 | erot = 2.57266042063124 | epot = -12.6022531078195 | etot = -9.13334912919468 -12000 ekin = 0.906416039154793 | erot = 2.46827537271561 | epot = -12.5080405408348 | etot = -9.13334912896439 -13000 ekin = 0.921704091778473 | erot = 2.36760645470838 | epot = -12.4226596752788 | etot = -9.13334912879192 -14000 ekin = 0.941405275130068 | erot = 2.2737494164118 | epot = -12.3485038202329 | etot = -9.13334912869106 -15000 ekin = 0.964770892951775 | erot = 2.18876720165115 | epot = -12.2868872232636 | etot = -9.13334912866066 -16000 ekin = 0.991029016801094 | erot = 2.11380018376644 | epot = -12.2381783292305 | etot = -9.13334912866301 -17000 ekin = 1.01940907375713 | erot = 2.04893605182115 | epot = -12.2016942543556 | etot = -9.13334912877728 -18000 ekin = 1.04917923728266 | erot = 1.99335017578094 | epot = -12.1758785419806 | etot = -9.13334912891698 -19000 ekin = 1.07969247848165 | erot = 1.9456993336296 | epot = -12.1587409411761 | etot = -9.1333491290649 -20000 ekin = 1.11043268152285 | erot = 1.90411175657071 | epot = -12.1478935672812 | etot = -9.13334912918769 -21000 ekin = 1.14104909735582 | erot = 1.86695882979236 | epot = -12.1413570564147 | etot = -9.13334912926648 -22000 ekin = 1.17136821848096 | erot = 1.83313674901888 | epot = -12.137854096792 | etot = -9.13334912929214 -23000 ekin = 1.2013763409769 | erot = 1.80222523558969 | epot = -12.1369507058331 | etot = -9.13334912926655 -24000 ekin = 1.23117249622896 | erot = 1.77451266102179 | epot = -12.1390342864515 | etot = -9.13334912920078 -25000 ekin = 1.26089526640641 | erot = 1.75088411697583 | epot = -12.1451285124969 | etot = -9.13334912911465 -26000 ekin = 1.29063712254627 | erot = 1.73259428379496 | epot = -12.1565805353675 | etot = -9.1333491290263 -27000 ekin = 1.32035987087024 | erot = 1.72114061671166 | epot = -12.174849616541 | etot = -9.1333491289591 -28000 ekin = 1.34980460658793 | erot = 1.71795709927849 | epot = -12.2011108348018 | etot = -9.13334912893538 -29000 ekin = 1.37841624051158 | erot = 1.72414013785736 | epot = -12.2359055073442 | etot = -9.13334912897524 -30000 ekin = 1.4052901572735 | erot = 1.74019656639666 | epot = -12.2788358527639 | etot = -9.13334912909376 -31000 ekin = 1.42915801743395 | erot = 1.76583252336951 | epot = -12.3283396701002 | etot = -9.13334912929672 -32000 ekin = 1.44843712560541 | erot = 1.79982181745344 | epot = -12.3816080726341 | etot = -9.13334912957528 -33000 ekin = 1.46136904668681 | erot = 1.84000474140078 | epot = -12.4347229179886 | etot = -9.13334912990105 -34000 ekin = 1.46625940785516 | erot = 1.88346459856623 | epot = -12.4830731366477 | etot = -9.13334913022626 -35000 ekin = 1.46179739484309 | erot = 1.92688889524945 | epot = -12.5220354205854 | etot = -9.13334913049288 -36000 ekin = 1.44738855724078 | erot = 1.96705754746501 | epot = -12.5477952353506 | etot = -9.13334913064481 -37000 ekin = 1.4234005446855 | erot = 2.00129614949931 | epot = -12.5580458249026 | etot = -9.13334913071783 -38000 ekin = 1.3912278154298 | erot = 2.02761655303769 | epot = -12.5521934990549 | etot = -9.13334913058744 -39000 ekin = 1.35313842096816 | erot = 2.04547852103606 | epot = -12.5319660723438 | etot = -9.1333491303396 -40000 ekin = 1.3119358769936 | erot = 2.05554364627562 | epot = -12.5008286533157 | etot = -9.13334913004646 -41000 ekin = 1.27054093924539 | erot = 2.05894429581373 | epot = -12.4628343648333 | etot = -9.13334912977422 -42000 ekin = 1.23161000992321 | erot = 2.05694893255708 | epot = -12.4219080720069 | etot = -9.13334912952666 -43000 ekin = 1.19723969759484 | erot = 2.05085758075657 | epot = -12.3814464076996 | etot = -9.13334912934817 -44000 ekin = 1.16880185863986 | erot = 2.04172238360625 | epot = -12.3438733714904 | etot = -9.13334912924427 -45000 ekin = 1.14690787175704 | erot = 2.03029950061769 | epot = -12.3105565015799 | etot = -9.13334912920516 -46000 ekin = 1.13147919636032 | erot = 2.0171225617537 | epot = -12.2819508873243 | etot = -9.13334912921024 -47000 ekin = 1.12189300492699 | erot = 2.00264798837252 | epot = -12.257890122535 | etot = -9.13334912923549 -48000 ekin = 1.11716788112702 | erot = 1.98739120721189 | epot = -12.2379082176346 | etot = -9.13334912929565 -49000 ekin = 1.11615794795221 | erot = 1.9718736810837 | epot = -12.2213807583348 | etot = -9.13334912929892 -50000 ekin = 1.1177232633637 | erot = 1.95708534394624 | epot = -12.2081577365825 | etot = -9.13334912927258 -51000 ekin = 1.12084924497845 | erot = 1.94437394210216 | epot = -12.1985723162997 | etot = -9.13334912921905 -52000 ekin = 1.12470549785223 | erot = 1.93529800314872 | epot = -12.1933526301509 | etot = -9.13334912914997 -53000 ekin = 1.12864556674947 | erot = 1.93145365271665 | epot = -12.1934483485497 | etot = -9.13334912908361 -54000 ekin = 1.1321611352306 | erot = 1.93430274875508 | epot = -12.1998130130121 | etot = -9.13334912902645 -55000 ekin = 1.13481106600208 | erot = 1.94490436967246 | epot = -12.2130645647023 | etot = -9.13334912902776 -56000 ekin = 1.13614343535792 | erot = 1.96361884590792 | epot = -12.2331114103532 | etot = -9.13334912908741 -57000 ekin = 1.1356317831126 | erot = 1.99002978527251 | epot = -12.2590106975987 | etot = -9.13334912921363 -58000 ekin = 1.13263976908227 | erot = 2.02286978616502 | epot = -12.2888586846528 | etot = -9.13334912940555 -59000 ekin = 1.1264242611342 | erot = 2.06004413441711 | epot = -12.3198175252031 | etot = -9.13334912965183 -60000 ekin = 1.11618536041525 | erot = 2.09876774945547 | epot = -12.3483022398008 | etot = -9.13334912993007 -61000 ekin = 1.10116810417863 | erot = 2.13581434618268 | epot = -12.3703315805686 | etot = -9.13334913020732 -62000 ekin = 1.08081637521804 | erot = 2.16786879318297 | epot = -12.3820342988436 | etot = -9.13334913044258 -63000 ekin = 1.05497014428154 | erot = 2.19194503254427 | epot = -12.3802643074579 | etot = -9.13334913063206 -64000 ekin = 1.02408601603167 | erot = 2.20562384873119 | epot = -12.3630589954182 | etot = -9.13334913065535 -65000 ekin = 0.989434415807826 | erot = 2.20769180278645 | epot = -12.3304753491253 | etot = -9.13334913053107 -66000 ekin = 0.953195593564014 | erot = 2.19842250482616 | epot = -12.2849672286541 | etot = -9.13334913026396 -67000 ekin = 0.918366365968406 | erot = 2.1794240088417 | epot = -12.2311395047052 | etot = -9.13334912989506 -68000 ekin = 0.888467814666429 | erot = 2.1532136435819 | epot = -12.1750305877205 | etot = -9.13334912947212 -69000 ekin = 0.867150037001785 | erot = 2.12288633704363 | epot = -12.1233855031212 | etot = -9.13334912907574 -70000 ekin = 0.85757995160489 | erot = 2.09151913845141 | epot = -12.0824482188435 | etot = -9.13334912878716 -71000 ekin = 0.861815425267566 | erot = 2.06157004239551 | epot = -12.0567345963622 | etot = -9.13334912869916 -72000 ekin = 0.880191815685505 | erot = 2.03435275439352 | epot = -12.0478936988734 | etot = -9.13334912879438 -73000 ekin = 0.91120145387665 | erot = 2.00982694750387 | epot = -12.0543775304381 | etot = -9.13334912905755 -74000 ekin = 0.951849895585045 | erot = 1.9868541827261 | epot = -12.0720532077347 | etot = -9.13334912942354 -75000 ekin = 0.998151008641101 | erot = 1.96362530027586 | epot = -12.0951254387265 | etot = -9.13334912980952 -76000 ekin = 1.04581734271574 | erot = 1.93821700241337 | epot = -12.1173834752671 | etot = -9.13334913013795 -77000 ekin = 1.09091996835682 | erot = 1.90910715282265 | epot = -12.1333762515352 | etot = -9.13334913035578 -78000 ekin = 1.13037631927892 | erot = 1.87551578135363 | epot = -12.139241231075 | etot = -9.1333491304424 -79000 ekin = 1.16219588597756 | erot = 1.83750580183238 | epot = -12.1330508182181 | etot = -9.1333491304082 -80000 ekin = 1.18548972632201 | erot = 1.79585942669966 | epot = -12.114698283306 | etot = -9.13334913028433 -81000 ekin = 1.20030605718923 | erot = 1.75181365939726 | epot = -12.0854688466954 | etot = -9.13334913010891 -82000 ekin = 1.20737786492164 | erot = 1.70676694760199 | epot = -12.0474939424388 | etot = -9.13334912991512 -83000 ekin = 1.20786051402042 | erot = 1.66205278152611 | epot = -12.0032624252715 | etot = -9.13334912972499 -84000 ekin = 1.20310991572446 | erot = 1.618829132473 | epot = -11.9552881777459 | etot = -9.13334912954841 -85000 ekin = 1.19452073297137 | erot = 1.57808043002399 | epot = -11.9059502923818 | etot = -9.13334912938643 -86000 ekin = 1.18342100682531 | erot = 1.54069268896217 | epot = -11.8574628250234 | etot = -9.13334912923592 -87000 ekin = 1.17100858957319 | erot = 1.50755090689499 | epot = -11.8119086255617 | etot = -9.13334912909349 -88000 ekin = 1.15831377551658 | erot = 1.47961680456701 | epot = -11.7712797090417 | etot = -9.13334912895806 -89000 ekin = 1.14617682817377 | erot = 1.45796378128875 | epot = -11.7374897382938 | etot = -9.13334912883123 -90000 ekin = 1.13523447969399 | erot = 1.4437643803001 | epot = -11.712347988711 | etot = -9.13334912871686 -91000 ekin = 1.12591345720529 | erot = 1.43823772500936 | epot = -11.6975003108348 | etot = -9.13334912862016 -92000 ekin = 1.11843099489266 | erot = 1.44256930748509 | epot = -11.6943494309247 | etot = -9.13334912854699 -93000 ekin = 1.11280329634796 | erot = 1.4578152481448 | epot = -11.7039676729955 | etot = -9.1333491285027 -94000 ekin = 1.10886209127321 | erot = 1.48480045701876 | epot = -11.7270116767845 | etot = -9.13334912849256 -95000 ekin = 1.10627886010321 | erot = 1.52396220647548 | epot = -11.7635901951109 | etot = -9.13334912853226 -96000 ekin = 1.10459509814404 | erot = 1.57519859223434 | epot = -11.8131428189848 | etot = -9.13334912860644 -97000 ekin = 1.10325943769886 | erot = 1.63800664193814 | epot = -11.8746152083621 | etot = -9.13334912872509 -98000 ekin = 1.10166959581627 | erot = 1.71130689804987 | epot = -11.9463256227543 | etot = -9.13334912888813 -99000 ekin = 1.09921849385146 | erot = 1.7933990563038 | epot = -12.0259666792475 | etot = -9.13334912909226 -100000 ekin = 1.09534596880091 | erot = 1.88196872528591 | epot = -12.1106638234166 | etot = -9.13334912932976 -101000 ekin = 1.08959720755104 | erot = 1.97415616931472 | epot = -12.1971025064524 | etot = -9.13334912958667 -102000 ekin = 1.08168751154804 | erot = 2.06670282185194 | epot = -12.281739463243 | etot = -9.133349129843 -103000 ekin = 1.07156932342305 | erot = 2.15618192508077 | epot = -12.3611003785777 | etot = -9.13334913007386 -104000 ekin = 1.05949237996066 | erot = 2.2393015837358 | epot = -12.4321430939489 | etot = -9.13334913025249 -105000 ekin = 1.04604342224874 | erot = 2.31323902285858 | epot = -12.4926315754935 | etot = -9.1333491303862 -106000 ekin = 1.03224316318559 | erot = 2.37579242095991 | epot = -12.5413847145648 | etot = -9.13334913041925 -107000 ekin = 1.01951120148935 | erot = 2.42585603740572 | epot = -12.5787163692807 | etot = -9.1333491303856 -108000 ekin = 1.00875017477213 | erot = 2.46348952984495 | epot = -12.6055888348739 | etot = -9.13334913025687 -109000 ekin = 1.00109573552403 | erot = 2.48980806114969 | epot = -12.6242529267284 | etot = -9.13334913005465 -110000 ekin = 0.997931591358209 | erot = 2.50673918610797 | epot = -12.6380199072781 | etot = -9.1333491298119 -111000 ekin = 1.00076792351332 | erot = 2.51665915373038 | epot = -12.6507762068081 | etot = -9.13334912956442 -112000 ekin = 1.01109610479939 | erot = 2.52200701599649 | epot = -12.6664522501395 | etot = -9.13334912934366 -113000 ekin = 1.03019016817897 | erot = 2.52496101252879 | epot = -12.6885003099866 | etot = -9.13334912927888 -114000 ekin = 1.05821017520641 | erot = 2.52722573627505 | epot = -12.718785040702 | etot = -9.13334912922054 -115000 ekin = 1.09472530400156 | erot = 2.53003930448813 | epot = -12.7581137377196 | etot = -9.13334912922996 -116000 ekin = 1.13884650903347 | erot = 2.53414832430427 | epot = -12.8063439626442 | etot = -9.13334912930642 -117000 ekin = 1.18909444999498 | erot = 2.53980839277107 | epot = -12.8622519722151 | etot = -9.13334912944908 -118000 ekin = 1.24341490970488 | erot = 2.54678348242605 | epot = -12.923547521787 | etot = -9.13334912965603 -119000 ekin = 1.29923662064205 | erot = 2.55432909400977 | epot = -12.9869148445731 | etot = -9.1333491299213 -120000 ekin = 1.3535895921566 | erot = 2.56118615921763 | epot = -13.0481248816038 | etot = -9.13334913022958 -121000 ekin = 1.40329803815465 | erot = 2.56563135861624 | epot = -13.1022785273256 | etot = -9.13334913055468 -122000 ekin = 1.44524692196627 | erot = 2.56562448409192 | epot = -13.1442205369174 | etot = -9.13334913085923 -123000 ekin = 1.47669540804843 | erot = 2.55906317998174 | epot = -13.1691077191311 | etot = -9.13334913110098 -124000 ekin = 1.49558302658173 | erot = 2.54411105943694 | epot = -13.1730432172614 | etot = -9.1333491312427 -125000 ekin = 1.50076122489751 | erot = 2.51952798471286 | epot = -13.1536383408715 | etot = -9.13334913126112 -126000 ekin = 1.49214728684725 | erot = 2.48515933103502 | epot = -13.1106557490377 | etot = -9.13334913115539 -127000 ekin = 1.47053410713968 | erot = 2.44174480075115 | epot = -13.0456280388479 | etot = -9.13334913095708 -128000 ekin = 1.43743445323518 | erot = 2.39059049317542 | epot = -12.9613740770764 | etot = -9.13334913066578 -129000 ekin = 1.39501109707066 | erot = 2.33380120125817 | epot = -12.8621614286441 | etot = -9.1333491303153 -130000 ekin = 1.34584042016766 | erot = 2.27401545397176 | epot = -12.7532050040799 | etot = -9.13334912994046 -131000 ekin = 1.29268930786602 | erot = 2.21410134111226 | epot = -12.6401397785514 | etot = -9.13334912957311 -132000 ekin = 1.23832315616835 | erot = 2.15686384200887 | epot = -12.528536127416 | etot = -9.13334912923874 -133000 ekin = 1.18535267681209 | erot = 2.10479906741759 | epot = -12.4235008731857 | etot = -9.13334912895606 -134000 ekin = 1.13612155562824 | erot = 2.05991346428628 | epot = -12.329384148651 | etot = -9.13334912873644 -135000 ekin = 1.09263262326063 | erot = 2.02360952444363 | epot = -12.2495912762909 | etot = -9.13334912858664 -136000 ekin = 1.05650575788357 | erot = 1.99662030668678 | epot = -12.1864751930785 | etot = -9.13334912850817 -137000 ekin = 1.02895878679464 | erot = 1.9789921283488 | epot = -12.1413000436437 | etot = -9.13334912850029 -138000 ekin = 1.01080388995852 | erot = 1.97013512172225 | epot = -12.1142881402336 | etot = -9.13334912855282 -139000 ekin = 1.00245459395347 | erot = 1.96888144460865 | epot = -12.1046851672407 | etot = -9.13334912867858 -140000 ekin = 1.00393780740617 | erot = 1.9733301097344 | epot = -12.1106170460032 | etot = -9.13334912886262 -141000 ekin = 1.01490973367029 | erot = 1.9810453094478 | epot = -12.129304172214 | etot = -9.13334912909595 -142000 ekin = 1.03468044934412 | erot = 1.98917872502417 | epot = -12.157208303734 | etot = -9.13334912936574 -143000 ekin = 1.06225104646169 | erot = 1.99463134790766 | epot = -12.1902315240236 | etot = -9.13334912965421 -144000 ekin = 1.09636709127244 | erot = 1.99441220318379 | epot = -12.2241284243807 | etot = -9.1333491299245 -145000 ekin = 1.13559045362115 | erot = 1.98572590465988 | epot = -12.2546654884646 | etot = -9.13334913018355 -146000 ekin = 1.17838854122085 | erot = 1.96612892354236 | epot = -12.2778665951537 | etot = -9.13334913039054 -147000 ekin = 1.22300699749175 | erot = 1.93405129394955 | epot = -12.2904074219631 | etot = -9.13334913052184 -148000 ekin = 1.26785677863015 | erot = 1.88891621350819 | epot = -12.2901221226999 | etot = -9.13334913056158 -149000 ekin = 1.31170551487297 | erot = 1.83123494690843 | epot = -12.2762895922886 | etot = -9.13334913050724 -150000 ekin = 1.35361858091197 | erot = 1.76263607509584 | epot = -12.2496037863729 | etot = -9.13334913036511 -151000 ekin = 1.39299848911427 | erot = 1.68572491420578 | epot = -12.2120725334745 | etot = -9.13334913015443 -152000 ekin = 1.42958376961909 | erot = 1.60381549112304 | epot = -12.1667483906422 | etot = -9.13334912990011 -153000 ekin = 1.46340801747592 | erot = 1.52060159601877 | epot = -12.1173587431249 | etot = -9.13334912963019 -154000 ekin = 1.49472650224559 | erot = 1.43981503875235 | epot = -12.0678906703692 | etot = -9.13334912937122 -155000 ekin = 1.52392161825077 | erot = 1.36491657683176 | epot = -12.0221873242286 | etot = -9.13334912914611 -156000 ekin = 1.55140022159552 | erot = 1.29884972381787 | epot = -11.9835990743858 | etot = -9.13334912897239 -157000 ekin = 1.57749707056582 | erot = 1.24387068637192 | epot = -11.9547168857975 | etot = -9.13334912885979 -158000 ekin = 1.60239506185775 | erot = 1.20145363967788 | epot = -11.9371978303528 | etot = -9.13334912881713 -159000 ekin = 1.62604462003778 | erot = 1.17226436760477 | epot = -11.9316581164852 | etot = -9.13334912884267 -160000 ekin = 1.64813303486537 | erot = 1.15619534708302 | epot = -11.9376775108803 | etot = -9.13334912893192 -161000 ekin = 1.6680732761297 | erot = 1.15245312716186 | epot = -11.9538755323666 | etot = -9.13334912907501 -162000 ekin = 1.68501875283048 | erot = 1.15969471512808 | epot = -11.9780625972165 | etot = -9.13334912925795 -163000 ekin = 1.69790620824667 | erot = 1.17620989126115 | epot = -12.0074652289698 | etot = -9.13334912946203 -164000 ekin = 1.70552711798388 | erot = 1.20014309389848 | epot = -12.0390193415473 | etot = -9.13334912966499 -165000 ekin = 1.70662691809342 | erot = 1.22974121417746 | epot = -12.0697172621134 | etot = -9.13334912984253 -166000 ekin = 1.70002908026843 | erot = 1.26360423252443 | epot = -12.096982442764 | etot = -9.13334912997113 -167000 ekin = 1.68477683955878 | erot = 1.30090518403802 | epot = -12.1190311536275 | etot = -9.13334913003072 -168000 ekin = 1.66027923283182 | erot = 1.34154370359116 | epot = -12.1351720664317 | etot = -9.13334913000876 -169000 ekin = 1.62644124957724 | erot = 1.38619810991441 | epot = -12.1459884893951 | etot = -9.13334912990346 -170000 ekin = 1.58375251890772 | erot = 1.43625221626238 | epot = -12.1533538648959 | etot = -9.13334912972576 -171000 ekin = 1.53331003043923 | erot = 1.49359459893455 | epot = -12.1602537588732 | etot = -9.13334912949943 -172000 ekin = 1.47676106161397 | erot = 1.56031583407089 | epot = -12.170426024941 | etot = -9.13334912925612 -173000 ekin = 1.41695754705518 | erot = 1.63848249765459 | epot = -12.1887891730454 | etot = -9.13334912833566 -174000 ekin = 1.35937684304471 | erot = 1.72968793645282 | epot = -12.2224139078261 | etot = -9.13334912832854 -175000 ekin = 1.30537540818795 | erot = 1.83369980102301 | epot = -12.2724243375761 | etot = -9.1333491283651 -176000 ekin = 1.25571357800282 | erot = 1.94952726339983 | epot = -12.3385899698495 | etot = -9.13334912844688 -177000 ekin = 1.21104692225286 | erot = 2.07558802224418 | epot = -12.4199840730645 | etot = -9.1333491285675 -178000 ekin = 1.17189512057006 | erot = 2.2097607957467 | epot = -12.5150050450644 | etot = -9.13334912874763 -179000 ekin = 1.13864315857337 | erot = 2.34949890132912 | epot = -12.6214911888117 | etot = -9.13334912890923 -180000 ekin = 1.11156621835557 | erot = 2.49234008540025 | epot = -12.7372554328249 | etot = -9.13334912906903 -181000 ekin = 1.09087167613546 | erot = 2.6356735753616 | epot = -12.8598943807501 | etot = -9.13334912925305 -182000 ekin = 1.076752265798 | erot = 2.77693577183354 | epot = -12.9870371670196 | etot = -9.13334912938803 -183000 ekin = 1.0694229423411 | erot = 2.91405263083468 | epot = -13.1168247026766 | etot = -9.13334912950083 -184000 ekin = 1.06913488705798 | erot = 3.04520163111691 | epot = -13.2476856477706 | etot = -9.13334912959569 -185000 ekin = 1.07614345922752 | erot = 3.16875772929962 | epot = -13.378250318213 | etot = -9.13334912968585 -186000 ekin = 1.09060563376715 | erot = 3.283179841549 | epot = -13.5071346051107 | etot = -9.1333491297946 -187000 ekin = 1.11239929858119 | erot = 3.38683780589135 | epot = -13.6325862344251 | etot = -9.13334912995254 -188000 ekin = 1.14088837562617 | erot = 3.47780595660562 | epot = -13.7520434624204 | etot = -9.13334913018863 -189000 ekin = 1.17469755695826 | erot = 3.55369218298297 | epot = -13.8617388704576 | etot = -9.13334913051635 -190000 ekin = 1.21158961983318 | erot = 3.61161008256116 | epot = -13.9565488333137 | etot = -9.13334913091936 -191000 ekin = 1.24837558083706 | erot = 3.64780345127586 | epot = -14.029528163489 | etot = -9.13334913137609 -192000 ekin = 1.28102311682938 | erot = 3.65810395429009 | epot = -14.0724762027878 | etot = -9.13334913166834 -193000 ekin = 1.30598320816956 | erot = 3.6413929500649 | epot = -14.0807252900253 | etot = -9.13334913179085 -194000 ekin = 1.32049648836596 | erot = 3.5984455236301 | epot = -14.0522911436923 | etot = -9.13334913169622 -195000 ekin = 1.32298604774247 | erot = 3.53212928134902 | epot = -13.9884644604291 | etot = -9.13334913133759 -196000 ekin = 1.31323645162542 | erot = 3.44751612705246 | epot = -13.894101709523 | etot = -9.13334913084515 -197000 ekin = 1.29228934698117 | erot = 3.35072340322429 | epot = -13.7763618804985 | etot = -9.13334913029301 -198000 ekin = 1.26212633786607 | erot = 3.24789114381922 | epot = -13.6433666114226 | etot = -9.13334912973732 -199000 ekin = 1.22527047461696 | erot = 3.14483705467137 | epot = -13.5034566585627 | etot = -9.13334912927433 -200000 ekin = 1.18441799207221 | erot = 3.04594245962928 | epot = -13.3637095806213 | etot = -9.13334912891985 -201000 ekin = 1.14216630511935 | erot = 2.95390025492293 | epot = -13.2294156887269 | etot = -9.13334912868461 -202000 ekin = 1.10084220211739 | erot = 2.86987712396292 | epot = -13.1040684546433 | etot = -9.13334912856296 -203000 ekin = 1.06240856569008 | erot = 2.79366067226783 | epot = -12.9894183664997 | etot = -9.13334912854175 -204000 ekin = 1.02841768821218 | erot = 2.7238914427547 | epot = -12.885658259572 | etot = -9.13334912860517 -205000 ekin = 0.999988405220756 | erot = 2.65832732458277 | epot = -12.7916648585391 | etot = -9.13334912873555 -206000 ekin = 0.977799621225127 | erot = 2.59412391514154 | epot = -12.70527266528 | etot = -9.13334912891328 -207000 ekin = 0.962105653965382 | erot = 2.52813792126081 | epot = -12.6235927043399 | etot = -9.13334912911372 -208000 ekin = 0.952783648018805 | erot = 2.4572664289227 | epot = -12.5433992062487 | etot = -9.13334912930716 -209000 ekin = 0.949416945748458 | erot = 2.37882137049673 | epot = -12.4615874457065 | etot = -9.13334912946133 -210000 ekin = 0.951402263215111 | erot = 2.29090939419168 | epot = -12.375660786954 | etot = -9.13334912954725 -211000 ekin = 0.958051952077477 | erot = 2.19275562021825 | epot = -12.2841567018434 | etot = -9.13334912954766 -212000 ekin = 0.968659667700339 | erot = 2.08489619855764 | epot = -12.1869049957193 | etot = -9.13334912946129 -213000 ekin = 0.982515908119824 | erot = 1.96918422280939 | epot = -12.0850492602319 | etot = -9.13334912930273 -214000 ekin = 0.998888701919625 | erot = 1.84860041861863 | epot = -11.980838249635 | etot = -9.13334912909677 -215000 ekin = 1.01700134912557 | erot = 1.72690897492111 | epot = -11.8772594529187 | etot = -9.13334912887207 -216000 ekin = 1.03603050122443 | erot = 1.60822693577763 | epot = -11.777606565658 | etot = -9.13334912865598 -217000 ekin = 1.05512477228462 | erot = 1.49657917533736 | epot = -11.6850530760946 | etot = -9.13334912847261 -218000 ekin = 1.07342860744178 | erot = 1.39550092670122 | epot = -11.6022786624833 | etot = -9.13334912834026 -219000 ekin = 1.09009860355571 | erot = 1.30773521951501 | epot = -11.5311829513406 | etot = -9.13334912826989 -220000 ekin = 1.10431207607347 | erot = 1.23505496062837 | epot = -11.4727161649656 | etot = -9.13334912826375 -221000 ekin = 1.11527717993044 | erot = 1.17821867809205 | epot = -11.4268449863377 | etot = -9.13334912831525 -222000 ekin = 1.12225437592971 | erot = 1.13704823944105 | epot = -11.3926517437815 | etot = -9.13334912841074 -223000 ekin = 1.1245929762141 | erot = 1.11060060825072 | epot = -11.3685427129973 | etot = -9.13334912853248 -224000 ekin = 1.12177911879615 | erot = 1.09739625543894 | epot = -11.3525245028962 | etot = -9.13334912866115 -225000 ekin = 1.11348637905752 | erot = 1.09566402531907 | epot = -11.3424995331561 | etot = -9.13334912877947 -226000 ekin = 1.09961800000704 | erot = 1.10360909760923 | epot = -11.3365762264854 | etot = -9.13334912886916 -227000 ekin = 1.08033165066218 | erot = 1.11952730043391 | epot = -11.3332080800322 | etot = -9.13334912893613 -228000 ekin = 1.05604602872783 | erot = 1.14187865421846 | epot = -11.3312738119174 | etot = -9.13334912897114 -229000 ekin = 1.02742418663512 | erot = 1.16938489301659 | epot = -11.3301582086289 | etot = -9.13334912897717 -230000 ekin = 0.995339184991671 | erot = 1.20102048198595 | epot = -11.3297087959372 | etot = -9.13334912895961 -231000 ekin = 0.960829492708811 | erot = 1.2359773576228 | epot = -11.3301559792548 | etot = -9.13334912892318 -232000 ekin = 0.92505043273539 | erot = 1.27360958612358 | epot = -11.3320091477358 | etot = -9.13334912887685 -233000 ekin = 0.889225435959919 | erot = 1.31337910210598 | epot = -11.3359536668897 | etot = -9.13334912882377 -234000 ekin = 0.854600006628912 | erot = 1.35483402381882 | epot = -11.3427831592152 | etot = -9.13334912876742 -235000 ekin = 0.822390924845405 | erot = 1.39757430015793 | epot = -11.3533143537197 | etot = -9.13334912871641 -236000 ekin = 0.793732848712064 | erot = 1.44121433399019 | epot = -11.3682963113767 | etot = -9.13334912867447 -237000 ekin = 0.769632191219681 | erot = 1.48535644446014 | epot = -11.3883377643268 | etot = -9.13334912864699 -238000 ekin = 0.750918993366291 | erot = 1.52956143549159 | epot = -11.4138295574961 | etot = -9.1333491286382 -239000 ekin = 0.738206267497456 | erot = 1.57333361162098 | epot = -11.4448890077681 | etot = -9.13334912864969 -240000 ekin = 0.731862193744267 | erot = 1.61613149974176 | epot = -11.4813428221659 | etot = -9.13334912867991 -241000 ekin = 0.731999328002306 | erot = 1.65741090456815 | epot = -11.5227593612939 | etot = -9.13334912872343 -242000 ekin = 0.738482620157578 | erot = 1.69669130986271 | epot = -11.5685230587946 | etot = -9.13334912877436 -243000 ekin = 0.75095504232563 | erot = 1.73364929482296 | epot = -11.6179534659688 | etot = -9.13334912882023 -244000 ekin = 0.76887708046684 | erot = 1.76822360275604 | epot = -11.6704498120776 | etot = -9.13334912885467 -245000 ekin = 0.791573929294853 | erot = 1.80068045121316 | epot = -11.72560350938 | etot = -9.13334912887203 -246000 ekin = 0.818282914271752 | erot = 1.8316410744519 | epot = -11.7832731175948 | etot = -9.13334912887118 -247000 ekin = 0.848193621601871 | erot = 1.86205096555267 | epot = -11.8435937160109 | etot = -9.13334912885635 -248000 ekin = 0.880474358635652 | erot = 1.89308546777831 | epot = -11.9069089552509 | etot = -9.1333491288369 -249000 ekin = 0.914280881219407 | erot = 1.92599713223939 | epot = -11.9736271422852 | etot = -9.13334912882638 -250000 ekin = 0.948746730716592 | erot = 1.96192054843792 | epot = -12.0440164079952 | etot = -9.13334912884067 -251000 ekin = 0.982959063854421 | erot = 2.00165977259976 | epot = -12.1179679653496 | etot = -9.13334912889544 -252000 ekin = 1.01592948249857 | erot = 2.04549252396446 | epot = -12.1947711354647 | etot = -9.13334912900165 -253000 ekin = 1.04657777483978 | erot = 2.09303441306042 | epot = -12.2729613170607 | etot = -9.13334912916053 -254000 ekin = 1.07373541755064 | erot = 2.14319803018524 | epot = -12.3502825770996 | etot = -9.13334912936369 -255000 ekin = 1.09620163163007 | erot = 2.1943096672061 | epot = -12.4238604284185 | etot = -9.13334912958234 -256000 ekin = 1.1128720642812 | erot = 2.24438579427484 | epot = -12.4906069883395 | etot = -9.13334912978351 -257000 ekin = 1.12287782510587 | erot = 2.29146665865438 | epot = -12.5476936136924 | etot = -9.13334912993218 -258000 ekin = 1.12572293500218 | erot = 2.33396623628282 | epot = -12.5930383012898 | etot = -9.1333491300048 -259000 ekin = 1.12139026023591 | erot = 2.37095948468545 | epot = -12.625698874911 | etot = -9.13334912998962 -260000 ekin = 1.11036122819271 | erot = 2.4022965811537 | epot = -12.6460069392473 | etot = -9.13334912990093 -261000 ekin = 1.09354805445024 | erot = 2.42847877902899 | epot = -12.6553759632423 | etot = -9.13334912976304 -262000 ekin = 1.07216031825739 | erot = 2.45046938603003 | epot = -12.6559788338922 | etot = -9.13334912960477 -263000 ekin = 1.04754368718255 | erot = 2.4694329779717 | epot = -12.6503257946119 | etot = -9.13334912945761 -264000 ekin = 1.02102495133799 | erot = 2.48647844637127 | epot = -12.6408525270504 | etot = -9.13334912934109 -265000 ekin = 0.993788783443426 | erot = 2.50247063136383 | epot = -12.629608544077 | etot = -9.13334912926975 -266000 ekin = 0.966800247929825 | erot = 2.51790683905008 | epot = -12.6180562162306 | etot = -9.1333491292507 -267000 ekin = 0.940784249459232 | erot = 2.53283827184812 | epot = -12.6069716505901 | etot = -9.13334912928275 -268000 ekin = 0.916272152394501 | erot = 2.54684612152506 | epot = -12.5964674032737 | etot = -9.13334912935417 -269000 ekin = 0.893722172477421 | erot = 2.55907244306951 | epot = -12.5861437450353 | etot = -9.13334912948841 -270000 ekin = 0.873709285129123 | erot = 2.56799722891213 | epot = -12.5750556436025 | etot = -9.1333491295613 -271000 ekin = 0.857156433251772 | erot = 2.57226369508336 | epot = -12.5627692579086 | etot = -9.13334912957348 -272000 ekin = 0.845541083724271 | erot = 2.57096110909421 | epot = -12.5498513223275 | etot = -9.13334912950897 -273000 ekin = 0.840983736970027 | erot = 2.56364270819324 | epot = -12.5379755745181 | etot = -9.13334912935485 -274000 ekin = 0.846103061110809 | erot = 2.55054497183512 | epot = -12.5299971620899 | etot = -9.13334912914396 -275000 ekin = 0.863570741245335 | erot = 2.53260377850945 | epot = -12.5295236486815 | etot = -9.13334912892668 -276000 ekin = 0.895419299415727 | erot = 2.51114645014648 | epot = -12.5399148783706 | etot = -9.13334912880838 -277000 ekin = 0.942302359419358 | erot = 2.48734970425542 | epot = -12.5630011925123 | etot = -9.13334912883751 -278000 ekin = 1.00299069941656 | erot = 2.46199112036264 | epot = -12.5983309488099 | etot = -9.13334912903073 -279000 ekin = 1.07434561589337 | erot = 2.43529774590622 | epot = -12.6429924911401 | etot = -9.13334912934047 -280000 ekin = 1.1518234098412 | erot = 2.40711596365387 | epot = -12.6922885031807 | etot = -9.13334912968566 -281000 ekin = 1.23030856581916 | erot = 2.37726964751121 | epot = -12.7409273433246 | etot = -9.13334912999419 -282000 ekin = 1.30483974879876 | erot = 2.34551973870678 | epot = -12.7837086176998 | etot = -9.13334913019425 -283000 ekin = 1.37151257999554 | erot = 2.31231452819811 | epot = -12.8171762384395 | etot = -9.13334913024583 -284000 ekin = 1.42789685319497 | erot = 2.27901843146156 | epot = -12.8402644148132 | etot = -9.13334913015666 -285000 ekin = 1.47299679574576 | erot = 2.24762833985798 | epot = -12.8539742655657 | etot = -9.13334912996199 -286000 ekin = 1.50701906587807 | erot = 2.22050056283333 | epot = -12.8608687584236 | etot = -9.1333491297122 -287000 ekin = 1.53099472144866 | erot = 2.19999584806528 | epot = -12.8643396989743 | etot = -9.13334912946032 -288000 ekin = 1.54636449768968 | erot = 2.18811490987538 | epot = -12.8678285368172 | etot = -9.13334912925209 -289000 ekin = 1.55461163491285 | erot = 2.18618804174405 | epot = -12.8741488057757 | etot = -9.1333491291188 -290000 ekin = 1.55699428674741 | erot = 2.19466879450645 | epot = -12.8850122103288 | etot = -9.13334912907495 -291000 ekin = 1.55439775255703 | erot = 2.21306131818027 | epot = -12.9008081998553 | etot = -9.13334912911797 -292000 ekin = 1.54729960240303 | erot = 2.23998314422011 | epot = -12.9206318758555 | etot = -9.13334912923236 -293000 ekin = 1.53582108608436 | erot = 2.27333490842382 | epot = -12.9425051239038 | etot = -9.1333491293956 -294000 ekin = 1.51982864506198 | erot = 2.31049721096855 | epot = -12.9636749856271 | etot = -9.13334912959652 -295000 ekin = 1.49905154213345 | erot = 2.34851873983909 | epot = -12.9809194117672 | etot = -9.13334912979465 -296000 ekin = 1.4731936480281 | erot = 2.38443281021024 | epot = -12.9909755882223 | etot = -9.13334912998395 -297000 ekin = 1.44203124545982 | erot = 2.41536854589882 | epot = -12.99074892151 | etot = -9.13334913015133 -298000 ekin = 1.40549976702096 | erot = 2.4386740904602 | epot = -12.9775229877651 | etot = -9.13334913028399 -299000 ekin = 1.36377241662811 | erot = 2.45204871800361 | epot = -12.9491702650001 | etot = -9.13334913036838 -300000 ekin = 1.31732711912166 | erot = 2.45368408092481 | epot = -12.9043603304387 | etot = -9.13334913039221 -301000 ekin = 1.26699022414728 | erot = 2.44240353914498 | epot = -12.8427428936397 | etot = -9.13334913034745 -302000 ekin = 1.21394210637167 | erot = 2.41777278592862 | epot = -12.765064022533 | etot = -9.13334913023274 -303000 ekin = 1.1596741442934 | erot = 2.38015189683557 | epot = -12.6731751711844 | etot = -9.13334913005544 -304000 ekin = 1.10589726251302 | erot = 2.33066939618069 | epot = -12.5699157885241 | etot = -9.13334912983043 -305000 ekin = 1.05441504199268 | erot = 2.27111808933615 | epot = -12.4588822609062 | etot = -9.13334912957738 -306000 ekin = 1.00698421397159 | erot = 2.20379218513968 | epot = -12.3441255284276 | etot = -9.13334912931634 -307000 ekin = 0.965188337627658 | erot = 2.13129764385332 | epot = -12.2298351105454 | etot = -9.13334912906444 -308000 ekin = 0.930345631944601 | erot = 2.056368146155 | epot = -12.1200629069337 | etot = -9.13334912883408 -309000 ekin = 0.903461768093092 | erot = 1.98167791132811 | epot = -12.0184888080548 | etot = -9.13334912863359 -310000 ekin = 0.885228515008126 | erot = 1.90967870211519 | epot = -11.9282563455893 | etot = -9.13334912846596 -311000 ekin = 0.876047647700586 | erot = 1.84263812609996 | epot = -11.852034902134 | etot = -9.13334912833348 -312000 ekin = 0.876068182199105 | erot = 1.78248869456835 | epot = -11.7919060050072 | etot = -9.13334912823976 -313000 ekin = 0.885223985970005 | erot = 1.73072892882167 | epot = -11.7493020429822 | etot = -9.13334912819049 -314000 ekin = 0.903258342515217 | erot = 1.68832066988298 | epot = -11.7249281405911 | etot = -9.13334912819286 -315000 ekin = 0.929731391718549 | erot = 1.65558558099657 | epot = -11.7186661009695 | etot = -9.13334912825433 -316000 ekin = 0.964013828970821 | erot = 1.6321197350897 | epot = -11.72948269244 | etot = -9.13334912837943 -317000 ekin = 1.00527629211697 | erot = 1.61675326466403 | epot = -11.7553786853486 | etot = -9.13334912856759 -318000 ekin = 1.05248736450164 | erot = 1.60758570940499 | epot = -11.7934222027159 | etot = -9.13334912880928 -319000 ekin = 1.10443332868175 | erot = 1.60212494474445 | epot = -11.8399074025115 | etot = -9.13334912908528 -320000 ekin = 1.15976924920879 | erot = 1.59754526105337 | epot = -11.8906636396278 | etot = -9.13334912936562 -321000 ekin = 1.21710352305735 | erot = 1.591055545181 | epot = -11.9415081978527 | etot = -9.13334912961438 -322000 ekin = 1.27510751189543 | erot = 1.58033324923022 | epot = -11.9887898909209 | etot = -9.1333491297953 -323000 ekin = 1.33263084645792 | erot = 1.56394390937281 | epot = -12.0299238857116 | etot = -9.13334912988083 -324000 ekin = 1.38879590712306 | erot = 1.5416467848519 | epot = -12.0637918218349 | etot = -9.13334912985997 -325000 ekin = 1.44304623679811 | erot = 1.51450056885231 | epot = -12.0908959353924 | etot = -9.13334912974197 -326000 ekin = 1.49513435445796 | erot = 1.48473073066039 | epot = -12.1132142146722 | etot = -9.1333491295539 -327000 ekin = 1.54505065938471 | erot = 1.45538400860359 | epot = -12.1337837973235 | etot = -9.13334912933516 -328000 ekin = 1.59290981434387 | erot = 1.42984788209389 | epot = -12.1561068255661 | etot = -9.13334912912838 -329000 ekin = 1.63881860975765 | erot = 1.41133335467872 | epot = -12.1835010934091 | etot = -9.13334912897275 -330000 ekin = 1.68274896183239 | erot = 1.4024072959145 | epot = -12.2185053866451 | etot = -9.13334912889826 -331000 ekin = 1.72443467169707 | erot = 1.4046311634215 | epot = -12.2624149640428 | etot = -9.13334912892422 -332000 ekin = 1.76330533674463 | erot = 1.41833479327589 | epot = -12.3149892590779 | etot = -9.13334912905735 -333000 ekin = 1.79846823309411 | erot = 1.44253834966357 | epot = -12.3743557120476 | etot = -9.13334912928995 -334000 ekin = 1.82874900591204 | erot = 1.47503277033971 | epot = -12.4371309058505 | etot = -9.1333491295987 -335000 ekin = 1.85279616115898 | erot = 1.5126357019759 | epot = -12.4987809930786 | etot = -9.13334912994371 -336000 ekin = 1.86927630558816 | erot = 1.55160162438203 | epot = -12.5542270602401 | etot = -9.13334913026992 -337000 ekin = 1.87711735413937 | erot = 1.5882004977332 | epot = -12.5986669823884 | etot = -9.13334913051582 -338000 ekin = 1.8757484092313 | erot = 1.61938868722871 | epot = -12.6284862270849 | etot = -9.13334913062489 -339000 ekin = 1.86534866362648 | erot = 1.64338736517746 | epot = -12.6420851593657 | etot = -9.13334913056172 -340000 ekin = 1.84695798886891 | erot = 1.66009075059628 | epot = -12.6403978697887 | etot = -9.13334913032349 -341000 ekin = 1.82243969076525 | erot = 1.67114820362438 | epot = -12.6269370243315 | etot = -9.13334912994192 -342000 ekin = 1.79428655955741 | erot = 1.67969211618746 | epot = -12.6073278052212 | etot = -9.13334912947637 -343000 ekin = 1.76531632972398 | erot = 1.68978090506725 | epot = -12.5884463637883 | etot = -9.13334912899707 -344000 ekin = 1.73833039739143 | erot = 1.70570000746884 | epot = -12.5773795334311 | etot = -9.13334912857087 -345000 ekin = 1.71580589060137 | erot = 1.73127559556237 | epot = -12.5804306144134 | etot = -9.13334912824962 -346000 ekin = 1.6996635309747 | erot = 1.76931234934698 | epot = -12.6023250083897 | etot = -9.13334912806806 -347000 ekin = 1.69112042623171 | erot = 1.82120184302266 | epot = -12.6456713972995 | etot = -9.13334912804509 -348000 ekin = 1.69061396982658 | erot = 1.88669704033649 | epot = -12.7106601383506 | etot = -9.13334912818748 -349000 ekin = 1.69777681788112 | erot = 1.96382926866272 | epot = -12.7949552150357 | etot = -9.13334912849182 -350000 ekin = 1.7114511501017 | erot = 2.04895591402652 | epot = -12.8937561930717 | etot = -9.13334912894347 -351000 ekin = 1.72974629646096 | erot = 2.13695636910622 | epot = -13.0000517950781 | etot = -9.13334912951097 -352000 ekin = 1.75015893903857 | erot = 2.22162008456721 | epot = -13.1051281537467 | etot = -9.13334913014092 -353000 ekin = 1.76978034905472 | erot = 2.29627029646064 | epot = -13.1993997762728 | etot = -9.13334913075749 -354000 ekin = 1.7856021091187 | erot = 2.35462017023462 | epot = -13.2735714106211 | etot = -9.13334913126782 -355000 ekin = 1.7948978547275 | erot = 2.39176336004161 | epot = -13.3200103463516 | etot = -9.13334913158252 -356000 ekin = 1.79561393246494 | erot = 2.4050918685946 | epot = -13.3340549326996 | etot = -9.13334913164005 -357000 ekin = 1.78667091072534 | erot = 2.39487614134816 | epot = -13.3148961835026 | etot = -9.13334913142907 -358000 ekin = 1.76810167230416 | erot = 2.3642989799402 | epot = -13.26574978317 | etot = -9.13334913092568 -359000 ekin = 1.74170569044599 | erot = 2.31907684809484 | epot = -13.1941316689269 | etot = -9.13334913038603 -360000 ekin = 1.70943632676095 | erot = 2.26611368397139 | epot = -13.1088991405402 | etot = -9.13334912980783 -361000 ekin = 1.67315005965356 | erot = 2.2123416661571 | epot = -13.0188408550981 | etot = -9.1333491292874 -362000 ekin = 1.63480994001483 | erot = 2.16376887379833 | epot = -12.931927942706 | etot = -9.13334912889285 -363000 ekin = 1.59622606057457 | erot = 2.12469986683786 | epot = -12.8542750560708 | etot = -9.13334912865833 -364000 ekin = 1.55890205833708 | erot = 2.0973463155983 | epot = -12.7895975025221 | etot = -9.13334912858677 -365000 ekin = 1.52397421076707 | erot = 2.08181308416756 | epot = -12.7391364235924 | etot = -9.13334912865774 -366000 ekin = 1.49221260733957 | erot = 2.0763900979626 | epot = -12.7019518341366 | etot = -9.13334912883443 -367000 ekin = 1.46405952364913 | erot = 2.0780551012223 | epot = -12.6754637539451 | etot = -9.13334912907368 -368000 ekin = 1.43967726932358 | erot = 2.08307216057664 | epot = -12.6560985592352 | etot = -9.13334912933493 -369000 ekin = 1.41899010811464 | erot = 2.08756917147338 | epot = -12.6399084091744 | etot = -9.13334912958638 -370000 ekin = 1.40171557356751 | erot = 2.08800173652931 | epot = -12.6230664399037 | etot = -9.13334912980689 -371000 ekin = 1.38739280854856 | erot = 2.08146226240663 | epot = -12.6022042009385 | etot = -9.13334912998331 -372000 ekin = 1.37542340308569 | erot = 2.06585193702337 | epot = -12.5746244702146 | etot = -9.13334913010555 -373000 ekin = 1.3651375235788 | erot = 2.03996886737112 | epot = -12.5384555211133 | etot = -9.13334913016337 -374000 ekin = 1.35583949105123 | erot = 2.00351975772384 | epot = -12.4927083789459 | etot = -9.13334913017084 -375000 ekin = 1.34694157711379 | erot = 1.9571603826844 | epot = -12.4374510898675 | etot = -9.13334913006932 -376000 ekin = 1.33814968105167 | erot = 1.90258032253183 | epot = -12.374079133482 | etot = -9.13334912989844 -377000 ekin = 1.32936261120695 | erot = 1.84227265725044 | epot = -12.3049843981354 | etot = -9.133349129678 -378000 ekin = 1.32063159991224 | erot = 1.77926043318832 | epot = -12.2332411625408 | etot = -9.13334912944026 -379000 ekin = 1.31208340368726 | erot = 1.71672941783422 | epot = -12.1621619507387 | etot = -9.13334912921721 -380000 ekin = 1.30384179784077 | erot = 1.65764204155578 | epot = -12.0948329684312 | etot = -9.13334912903461 -381000 ekin = 1.29657917475703 | erot = 1.60487100826496 | epot = -12.0347993118431 | etot = -9.13334912882109 -382000 ekin = 1.29092190134574 | erot = 1.5606106770692 | epot = -11.9848817072416 | etot = -9.13334912882662 -383000 ekin = 1.2862090906832 | erot = 1.52536833769879 | epot = -11.9449265572222 | etot = -9.13334912884017 -384000 ekin = 1.28205683099545 | erot = 1.49922806168738 | epot = -11.9146340215159 | etot = -9.13334912883307 -385000 ekin = 1.27850478017806 | erot = 1.48216189144778 | epot = -11.8940158004147 | etot = -9.13334912878889 -386000 ekin = 1.27603762173955 | erot = 1.47423730493012 | epot = -11.8836240553814 | etot = -9.1333491287117 -387000 ekin = 1.27548287271892 | erot = 1.47565716104777 | epot = -11.8844891623921 | etot = -9.13334912862536 -388000 ekin = 1.27780044585788 | erot = 1.48660964097499 | epot = -11.8977592154009 | etot = -9.13334912856799 -389000 ekin = 1.28381262703596 | erot = 1.50697425852508 | epot = -11.9241360141413 | etot = -9.13334912858021 -390000 ekin = 1.29393930260888 | erot = 1.53598035068365 | epot = -11.9632687819891 | etot = -9.13334912869656 -391000 ekin = 1.30800074456151 | erot = 1.57190984924569 | epot = -12.0132597227379 | etot = -9.13334912893074 -392000 ekin = 1.325130991795 | erot = 1.61197584867816 | epot = -12.0704559697468 | etot = -9.13334912927367 -393000 ekin = 1.34382543000193 | erot = 1.65241448883467 | epot = -12.1295890485281 | etot = -9.13334912969153 -394000 ekin = 1.3621210239867 | erot = 1.68881012624785 | epot = -12.1842802803652 | etot = -9.13334913013061 -395000 ekin = 1.37788072140323 | erot = 1.71661593054036 | epot = -12.2278457824695 | etot = -9.13334913052588 -396000 ekin = 1.3891315451238 | erot = 1.73181112618284 | epot = -12.2542918021058 | etot = -9.13334913079917 -397000 ekin = 1.39439357479683 | erot = 1.73153617598965 | epot = -12.2592788817207 | etot = -9.13334913093423 -398000 ekin = 1.392939046591 | erot = 1.71441550438621 | epot = -12.2407036818549 | etot = -9.13334913087766 -399000 ekin = 1.38493174777325 | erot = 1.68094766350724 | epot = -12.1992285419441 | etot = -9.13334913066366 -400000 ekin = 1.37142116073966 | erot = 1.63330764197713 | epot = -12.1380779330241 | etot = -9.13334913030734 -401000 ekin = 1.35412991252306 | erot = 1.57501044311532 | epot = -12.0624894855325 | etot = -9.13334912989417 -402000 ekin = 1.33517991856765 | erot = 1.51048364979885 | epot = -11.9790126977729 | etot = -9.13334912940637 -403000 ekin = 1.31709653187147 | erot = 1.44458891478784 | epot = -11.8950345755996 | etot = -9.13334912894028 -404000 ekin = 1.30234590493773 | erot = 1.38198365576653 | epot = -11.8176786892413 | etot = -9.13334912853706 -405000 ekin = 1.29301391716195 | erot = 1.32673455588805 | epot = -11.7530976012898 | etot = -9.13334912823978 -406000 ekin = 1.2906546746274 | erot = 1.28204116436375 | epot = -11.7060449670187 | etot = -9.13334912802758 -407000 ekin = 1.29643237294776 | erot = 1.25006436588465 | epot = -11.6798458667535 | etot = -9.13334912792104 -408000 ekin = 1.31094700615259 | erot = 1.23190986721618 | epot = -11.6762060012866 | etot = -9.13334912791786 -409000 ekin = 1.33422438303399 | erot = 1.22763489752384 | epot = -11.6952084085746 | etot = -9.13334912801675 -410000 ekin = 1.36572014155011 | erot = 1.23628017302646 | epot = -11.7353494427907 | etot = -9.1333491282141 -411000 ekin = 1.4043266876083 | erot = 1.25592548503719 | epot = -11.7936013011487 | etot = -9.13334912850318 -412000 ekin = 1.44839088645936 | erot = 1.28379672627982 | epot = -11.8655367416088 | etot = -9.13334912886961 -413000 ekin = 1.49576795241922 | erot = 1.31646032749018 | epot = -11.9455774091946 | etot = -9.13334912928523 -414000 ekin = 1.54394920889522 | erot = 1.35014055217893 | epot = -12.0274388907797 | etot = -9.13334912970551 -415000 ekin = 1.59029421705203 | erot = 1.38116660571141 | epot = -12.1048099528357 | etot = -9.13334913007226 -416000 ekin = 1.63235973909131 | erot = 1.40649922749186 | epot = -12.1722080969101 | etot = -9.13334913032698 -417000 ekin = 1.66825800489219 | erot = 1.42422016760995 | epot = -12.225827302936 | etot = -9.13334913043386 -418000 ekin = 1.69693219837218 | erot = 1.43381449957251 | epot = -12.264095828321 | etot = -9.13334913037631 -419000 ekin = 1.71824951894753 | erot = 1.43620625779358 | epot = -12.287804906927 | etot = -9.13334913018588 -420000 ekin = 1.73288337430522 | erot = 1.433508253505 | epot = -12.299740757723 | etot = -9.13334912991281 -421000 ekin = 1.7420412953233 | erot = 1.42856028674674 | epot = -12.3039507116819 | etot = -9.13334912961185 -422000 ekin = 1.7471370180767 | erot = 1.42445618730574 | epot = -12.3049423347116 | etot = -9.13334912932917 -423000 ekin = 1.74949063384677 | erot = 1.42413436044179 | epot = -12.3069741233945 | etot = -9.13334912910593 -424000 ekin = 1.75009754642981 | erot = 1.4300564192499 | epot = -12.3135030946281 | etot = -9.13334912894843 -425000 ekin = 1.74947257256704 | erot = 1.44412400802223 | epot = -12.3269457094749 | etot = -9.13334912888562 -426000 ekin = 1.69664946387257 | erot = 1.40011304962302 | epot = -12.2301116345967 | etot = -9.1333491211011 -427000 ekin = 1.76448154346295 | erot = 1.46695774970494 | epot = -12.3647884699887 | etot = -9.13334917682078 -428000 ekin = 1.77864040382729 | erot = 1.51204937412326 | epot = -12.4240389057601 | etot = -9.13334912780956 -429000 ekin = 1.77744254090634 | erot = 1.55645173379999 | epot = -12.4672434028126 | etot = -9.13334912810625 -430000 ekin = 1.76864481713877 | erot = 1.60567169371301 | epot = -12.5076656392914 | etot = -9.1333491284396 -431000 ekin = 1.75041443992984 | erot = 1.65655638514254 | epot = -12.5403199538359 | etot = -9.1333491287635 -432000 ekin = 1.72143753020827 | erot = 1.70559294341406 | epot = -12.5603796026458 | etot = -9.13334912902348 -433000 ekin = 1.68129756274064 | erot = 1.74934007551155 | epot = -12.5639867674192 | etot = -9.13334912916702 -434000 ekin = 1.63077650979783 | erot = 1.78490039303262 | epot = -12.5490260319872 | etot = -9.13334912915677 -435000 ekin = 1.57198882084277 | erot = 1.81033246556102 | epot = -12.5156704153863 | etot = -9.1333491289825 -436000 ekin = 1.50828072851243 | erot = 1.8248990896095 | epot = -12.4665289467889 | etot = -9.13334912866695 -437000 ekin = 1.44388315300992 | erot = 1.82908776307803 | epot = -12.4063200443484 | etot = -9.13334912826041 -438000 ekin = 1.38337900429486 | erot = 1.82441107452303 | epot = -12.3411392066449 | etot = -9.13334912782701 -439000 ekin = 1.33110407576011 | erot = 1.81306694503837 | epot = -12.2775201482251 | etot = -9.13334912742665 -440000 ekin = 1.29061754888814 | erot = 1.79757475508114 | epot = -12.2215414310713 | etot = -9.13334912710203 -441000 ekin = 1.26434687831999 | erot = 1.78048600607157 | epot = -12.1781820112636 | etot = -9.13334912687206 -442000 ekin = 1.25344985037798 | erot = 1.76421040799211 | epot = -12.1510093851058 | etot = -9.13334912673572 -443000 ekin = 1.25787308938312 | erot = 1.75093400476504 | epot = -12.142156220829 | etot = -9.13334912668082 -444000 ekin = 1.27654491138731 | erot = 1.74256727851856 | epot = -12.1524613166009 | etot = -9.13334912669505 -445000 ekin = 1.30762960642434 | erot = 1.74066161516909 | epot = -12.1816403483644 | etot = -9.13334912677094 -446000 ekin = 1.34878485335211 | erot = 1.74626611357013 | epot = -12.2284000938283 | etot = -9.13334912690606 -447000 ekin = 1.39739993763745 | erot = 1.75974793458045 | epot = -12.2904969993196 | etot = -9.13334912710174 -448000 ekin = 1.45076649190932 | erot = 1.78060717934147 | epot = -12.3647227986048 | etot = -9.13334912735396 -449000 ekin = 1.50623999605402 | erot = 1.80738848344743 | epot = -12.4469776071528 | etot = -9.1333491276513 -450000 ekin = 1.5613890805465 | erot = 1.83773497344407 | epot = -12.5324731819632 | etot = -9.13334912797267 -451000 ekin = 1.61412412964578 | erot = 1.86859865234491 | epot = -12.6160719102792 | etot = -9.13334912828851 -452000 ekin = 1.66280931630166 | erot = 1.89658548036437 | epot = -12.6927439252307 | etot = -9.13334912856467 -453000 ekin = 1.7063497163714 | erot = 1.9183747658684 | epot = -12.758073611013 | etot = -9.13334912877319 -454000 ekin = 1.74423056750415 | erot = 1.93111374790646 | epot = -12.8086934443075 | etot = -9.13334912889692 -455000 ekin = 1.77648988409932 | erot = 1.93270291378152 | epot = -12.8425419268151 | etot = -9.13334912893425 -456000 ekin = 1.80361911556787 | erot = 1.9219262828774 | epot = -12.8588945273431 | etot = -9.13334912889786 -457000 ekin = 1.82640016706269 | erot = 1.89842961389848 | epot = -12.858178909771 | etot = -9.1333491288098 -458000 ekin = 1.84570455025997 | erot = 1.8625929869562 | epot = -12.8416466659128 | etot = -9.13334912869665 -459000 ekin = 1.86229070171015 | erot = 1.81535342315 | epot = -12.8109932534395 | etot = -9.13334912857936 -460000 ekin = 1.87663848085941 | erot = 1.75803306182628 | epot = -12.7680206711609 | etot = -9.1333491284752 -461000 ekin = 1.88883864523272 | erot = 1.69219746384138 | epot = -12.7143852374648 | etot = -9.13334912839074 -462000 ekin = 1.89856203652394 | erot = 1.61956678027284 | epot = -12.6514779451229 | etot = -9.13334912832615 -463000 ekin = 1.90510221764579 | erot = 1.54196437877704 | epot = -12.5804157247006 | etot = -9.13334912827778 -464000 ekin = 1.90747686786769 | erot = 1.46127993198361 | epot = -12.5021059280878 | etot = -9.13334912823649 -465000 ekin = 1.90457977356283 | erot = 1.37946070091642 | epot = -12.4173896026667 | etot = -9.13334912818744 -466000 ekin = 1.89536572152456 | erot = 1.29851485172089 | epot = -12.3272297013685 | etot = -9.13334912812307 -467000 ekin = 1.87901831710111 | erot = 1.22048659414348 | epot = -12.232854039282 | etot = -9.13334912803741 -468000 ekin = 1.85509917792192 | erot = 1.1473912628404 | epot = -12.135839568692 | etot = -9.13334912792963 -469000 ekin = 1.82366605107452 | erot = 1.08110787535108 | epot = -12.0381230542294 | etot = -9.13334912780381 -470000 ekin = 1.78535216075739 | erot = 1.02324127043727 | epot = -11.9419425588602 | etot = -9.13334912766558 -471000 ekin = 1.74141051513502 | erot = 0.974982090044474 | epot = -11.8497417327 | etot = -9.13334912752053 -472000 ekin = 1.69372019706046 | erot = 0.937000644456116 | epot = -11.7640699688896 | etot = -9.13334912737304 -473000 ekin = 1.64473632771078 | erot = 0.909402534933341 | epot = -11.6874879898728 | etot = -9.13334912722864 -474000 ekin = 1.59734995177461 | erot = 0.891755018433343 | epot = -11.622454097305 | etot = -9.13334912709702 -475000 ekin = 1.55462885495348 | erot = 0.883174765262338 | epot = -11.571152747209 | etot = -9.13334912699314 -476000 ekin = 1.51944866261258 | erot = 0.882459888572011 | epot = -11.5352576781179 | etot = -9.13334912693328 -477000 ekin = 1.49408243529128 | erot = 0.888250161719579 | epot = -11.5156817239402 | etot = -9.1333491269293 -478000 ekin = 1.47985622585725 | erot = 0.899197335535745 | epot = -11.5124026883765 | etot = -9.13334912698345 -479000 ekin = 1.47695373952945 | erot = 0.914115348460641 | epot = -11.5244182150854 | etot = -9.13334912709531 -480000 ekin = 1.48439477575547 | erot = 0.932072516624243 | epot = -11.5498164196235 | etot = -9.13334912724377 -481000 ekin = 1.50022741217604 | erot = 0.952423999187706 | epot = -11.5860005387875 | etot = -9.1333491274238 -482000 ekin = 1.52172985963508 | erot = 0.974754211850123 | epot = -11.6298331991131 | etot = -9.13334912762789 -483000 ekin = 1.54567018241573 | erot = 0.998770450818459 | epot = -11.6777897610815 | etot = -9.13334912784727 -484000 ekin = 1.5685861472314 | erot = 1.02419763511229 | epot = -11.7261329104139 | etot = -9.13334912807017 -485000 ekin = 1.58707346955103 | erot = 1.05070585623507 | epot = -11.7711284540671 | etot = -9.13334912828097 -486000 ekin = 1.5980710360309 | erot = 1.07788995425036 | epot = -11.8093101187427 | etot = -9.13334912846141 -487000 ekin = 1.59911980804398 | erot = 1.10529931942497 | epot = -11.8377682560634 | etot = -9.13334912859443 -488000 ekin = 1.58856342116581 | erot = 1.13249736396505 | epot = -11.8544099137994 | etot = -9.1333491286685 -489000 ekin = 1.56566142904586 | erot = 1.15911683126035 | epot = -11.8581273889864 | etot = -9.13334912868024 -490000 ekin = 1.53060268554494 | erot = 1.1848850242751 | epot = -11.848836838455 | etot = -9.13334912863495 -491000 ekin = 1.48443427069261 | erot = 1.20959914016099 | epot = -11.8273825393277 | etot = -9.13334912847408 -492000 ekin = 1.42930345354192 | erot = 1.23291829593384 | epot = -11.7955708778614 | etot = -9.13334912838564 -493000 ekin = 1.36749564144839 | erot = 1.25438544605061 | epot = -11.7552302157762 | etot = -9.13334912827722 -494000 ekin = 1.30137262987712 | erot = 1.27348228002446 | epot = -11.7082040380584 | etot = -9.13334912815681 -495000 ekin = 1.23360970816606 | erot = 1.28954660635986 | epot = -11.656505442555 | etot = -9.13334912802907 -496000 ekin = 1.16375548639931 | erot = 1.30023195608135 | epot = -11.597336620527 | etot = -9.13334917804638 -497000 ekin = 1.02574644939749 | erot = 1.24927230425605 | epot = -11.4083678754971 | etot = -9.1333491218436 -498000 ekin = 1.13339044618068 | erot = 1.24939677704364 | epot = -11.5161363891335 | etot = -9.13334916590914 -499000 ekin = 1.16434762393443 | erot = 1.25864673154736 | epot = -11.5563434800394 | etot = -9.13334912455761 -500000 ekin = 1.16768486506973 | erot = 1.25769344443679 | epot = -11.5587274345829 | etot = -9.13334912507638 -501000 ekin = 1.17559895497739 | erot = 1.25038915442381 | epot = -11.5593372343056 | etot = -9.13334912490443 -502000 ekin = 1.18926606274124 | erot = 1.23784323632847 | epot = -11.5604584237521 | etot = -9.13334912468242 -503000 ekin = 1.20982408115136 | erot = 1.22204157664177 | epot = -11.5652147822342 | etot = -9.13334912444111 -504000 ekin = 1.2381178273724 | erot = 1.20572865378346 | epot = -11.5771956053614 | etot = -9.13334912420554 -505000 ekin = 1.27460966228983 | erot = 1.19199209322132 | epot = -11.5999508795136 | etot = -9.13334912400249 -506000 ekin = 1.31928047819791 | erot = 1.1839368767797 | epot = -11.6365664788341 | etot = -9.13334912385644 -507000 ekin = 1.37157700900694 | erot = 1.18435118386784 | epot = -11.6892773166593 | etot = -9.13334912378454 -508000 ekin = 1.43042502721723 | erot = 1.19541187481904 | epot = -11.7591860258309 | etot = -9.13334912379462 -509000 ekin = 1.49431413373027 | erot = 1.21846596296109 | epot = -11.8461292205759 | etot = -9.13334912388451 -510000 ekin = 1.56143815900149 | erot = 1.25390781315983 | epot = -11.9486950962062 | etot = -9.13334912404484 -511000 ekin = 1.6298540535969 | erot = 1.30115550674715 | epot = -12.0643586846064 | etot = -9.13334912426233 -512000 ekin = 1.69760948238587 | erot = 1.35871536005148 | epot = -12.1896739669624 | etot = -9.13334912452507 -513000 ekin = 1.76279412854926 | erot = 1.42431355747723 | epot = -12.3204568108526 | etot = -9.1333491248261 -514000 ekin = 1.82349978434352 | erot = 1.49507387318822 | epot = -12.4519227826915 | etot = -9.13334912515979 -515000 ekin = 1.87772649131863 | erot = 1.56773414237229 | epot = -12.578809759206 | etot = -9.1333491255151 -516000 ekin = 1.92332299298654 | erot = 1.63891274677026 | epot = -12.6955848656238 | etot = -9.13334912586698 -517000 ekin = 1.95805681102207 | erot = 1.70543998935156 | epot = -12.796845926548 | etot = -9.13334912617437 -518000 ekin = 1.97984991947139 | erot = 1.76473849816332 | epot = -12.8779375440238 | etot = -9.13334912638909 -519000 ekin = 1.98711819296805 | erot = 1.81518192785907 | epot = -12.9356492472993 | etot = -9.13334912647214 -520000 ekin = 1.97908911077294 | erot = 1.85632478175992 | epot = -12.9687630189464 | etot = -9.13334912641354 -521000 ekin = 1.95594858056464 | erot = 1.88892760797505 | epot = -12.9782253147673 | etot = -9.13334912622764 -522000 ekin = 1.91881161738233 | erot = 1.91475582238184 | epot = -12.9669165657166 | etot = -9.13334912595242 -523000 ekin = 1.8695404534333 | erot = 1.93620351350896 | epot = -12.9390930925794 | etot = -9.13334912563714 -524000 ekin = 1.81047332181735 | erot = 1.95582271022629 | epot = -12.8996451573767 | etot = -9.13334912533309 -525000 ekin = 1.74413482435742 | erot = 1.97582576721985 | epot = -12.8533097166652 | etot = -9.13334912508796 -526000 ekin = 1.67297434024978 | erot = 1.99761678040749 | epot = -12.8039402455968 | etot = -9.13334912493949 -527000 ekin = 1.59916865616268 | erot = 2.02141684187848 | epot = -12.7539346229491 | etot = -9.13334912490795 -528000 ekin = 1.52452149634747 | erot = 2.04605877912766 | epot = -12.703929400465 | etot = -9.13334912498985 -529000 ekin = 1.45048141638157 | erot = 2.06903286947953 | epot = -12.6528634110146 | etot = -9.13334912515348 -530000 ekin = 1.37827485203517 | erot = 2.08683821123225 | epot = -12.5984621886097 | etot = -9.13334912534224 -531000 ekin = 1.30911544825371 | erot = 2.09562136598341 | epot = -12.5380859397248 | etot = -9.13334912548764 -532000 ekin = 1.24441932207159 | erot = 2.0919865394648 | epot = -12.4697549870638 | etot = -9.13334912552745 -533000 ekin = 1.18594679653503 | erot = 2.07377924595734 | epot = -12.3930751679176 | etot = -9.1333491254252 -534000 ekin = 1.13581312461818 | erot = 2.04062941960519 | epot = -12.3097916694029 | etot = -9.13334912517958 -535000 ekin = 1.09635528031962 | erot = 1.99411201500012 | epot = -12.2238164201439 | etot = -9.13334912482411 -536000 ekin = 1.06988655696252 | erot = 1.93750945182015 | epot = -12.1407451331975 | etot = -9.13334912441483 -537000 ekin = 1.05839509272021 | erot = 1.87547351819332 | epot = -12.067217734908 | etot = -9.13334912399445 -538000 ekin = 1.06323891386383 | erot = 1.8133142469933 | epot = -12.0099022845371 | etot = -9.13334912367997 -539000 ekin = 1.08487929970935 | erot = 1.75562392315627 | epot = -11.9738523463603 | etot = -9.1333491234947 -540000 ekin = 1.12268189024 | erot = 1.70611667319426 | epot = -11.9621476869098 | etot = -9.13334912347552 -541000 ekin = 1.17481105396921 | erot = 1.66717481231705 | epot = -11.9753349899259 | etot = -9.13334912363967 -542000 ekin = 1.23824417791975 | erot = 1.63956314455877 | epot = -12.0111564464592 | etot = -9.13334912398068 -543000 ekin = 1.30892832433008 | erot = 1.62236761446997 | epot = -12.064645063264 | etot = -9.13334912446397 -544000 ekin = 1.38208514508333 | erot = 1.61318872881414 | epot = -12.1286229989291 | etot = -9.13334912503163 -545000 ekin = 1.45263801176678 | erot = 1.60857948400874 | epot = -12.1945666213833 | etot = -9.13334912560776 -546000 ekin = 1.51570974605917 | erot = 1.6046737747132 | epot = -12.2537326468843 | etot = -9.13334912611194 -547000 ekin = 1.56711452712199 | erot = 1.5978880037946 | epot = -12.2983516573924 | etot = -9.13334912647585 -548000 ekin = 1.60376221827712 | erot = 1.58554162813844 | epot = -12.3226529730727 | etot = -9.1333491266571 -549000 ekin = 1.62391041625646 | erot = 1.56625626417929 | epot = -12.3235158070828 | etot = -9.13334912664708 -550000 ekin = 1.62723358008189 | erot = 1.54012357324966 | epot = -12.3007062797783 | etot = -9.1333491264467 -551000 ekin = 1.61471889890709 | erot = 1.50851459566941 | epot = -12.2565826207224 | etot = -9.13334912614586 -552000 ekin = 1.58843016681321 | erot = 1.4734893638054 | epot = -12.1952686563899 | etot = -9.13334912577134 -553000 ekin = 1.55120098108813 | erot = 1.43753302715615 | epot = -12.1220831336151 | etot = -9.13334912537079 -554000 ekin = 1.50631636212005 | erot = 1.40318755320161 | epot = -12.0428530403011 | etot = -9.13334912497946 -555000 ekin = 1.45722878985314 | erot = 1.37279698197473 | epot = -11.963374896449 | etot = -9.13334912462112 -556000 ekin = 1.40732293283973 | erot = 1.34837590637177 | epot = -11.8890479635191 | etot = -9.13334912430758 -557000 ekin = 1.3597375077168 | erot = 1.33157707037723 | epot = -11.8246637021381 | etot = -9.13334912404409 -558000 ekin = 1.31723590731803 | erot = 1.32371628032195 | epot = -11.774301311473 | etot = -9.13334912383299 -559000 ekin = 1.28211028308052 | erot = 1.32580526483901 | epot = -11.7412646715973 | etot = -9.13334912367774 -560000 ekin = 1.25610590403879 | erot = 1.3385562626673 | epot = -11.7280112902908 | etot = -9.13334912358467 -561000 ekin = 1.2403584426244 | erot = 1.36234138771829 | epot = -11.7360489539048 | etot = -9.13334912356214 -562000 ekin = 1.23534624011934 | erot = 1.39711468449598 | epot = -11.7658100482331 | etot = -9.13334912361783 -563000 ekin = 1.24087113987902 | erot = 1.44233150301079 | epot = -11.8165517666423 | etot = -9.13334912375254 -564000 ekin = 1.25609129142723 | erot = 1.49691875870951 | epot = -11.8863591740921 | etot = -9.13334912395532 -565000 ekin = 1.27963015842495 | erot = 1.55937933474963 | epot = -11.9723586173646 | etot = -9.13334912419005 -566000 ekin = 1.30976945418571 | erot = 1.62795664730359 | epot = -12.0710752259391 | etot = -9.13334912444983 -567000 ekin = 1.34469873511645 | erot = 1.70073738341556 | epot = -12.1787852432246 | etot = -9.13334912469256 -568000 ekin = 1.3827577993125 | erot = 1.77591787234845 | epot = -12.2920247965675 | etot = -9.13334912490654 -569000 ekin = 1.42260294142859 | erot = 1.85183127906418 | epot = -12.4077833455891 | etot = -9.13334912509629 -570000 ekin = 1.46311433096579 | erot = 1.92670412008669 | epot = -12.5231675764218 | etot = -9.13334912536935 -571000 ekin = 1.50327753329307 | erot = 1.99853100883714 | epot = -12.6351576678129 | etot = -9.13334912568273 -572000 ekin = 1.54192966726832 | erot = 2.0649761373204 | epot = -12.7402549304653 | etot = -9.13334912587657 -573000 ekin = 1.57823855406821 | erot = 2.12427016697656 | epot = -12.8358578470038 | etot = -9.13334912595906 -574000 ekin = 1.61207502223778 | erot = 2.1757020138103 | epot = -12.9211261619202 | etot = -9.13334912587208 -575000 ekin = 1.64402582172922 | erot = 2.2202844101377 | epot = -12.9976593574945 | etot = -9.13334912562756 -576000 ekin = 1.67538587677304 | erot = 2.26042238855478 | epot = -13.0691573906207 | etot = -9.13334912529285 -577000 ekin = 1.70789209377811 | erot = 2.29915883241272 | epot = -13.1404000511603 | etot = -9.13334912496951 -578000 ekin = 1.74326819507297 | erot = 2.33909725075146 | epot = -13.2157145705747 | etot = -9.13334912475026 -579000 ekin = 1.78272231837321 | erot = 2.38182643841169 | epot = -13.2978978814812 | etot = -9.13334912469626 -580000 ekin = 1.82652189372187 | erot = 2.42751679139068 | epot = -13.3873878099471 | etot = -9.13334912483456 -581000 ekin = 1.87370675174828 | erot = 2.47480205693634 | epot = -13.4818579338601 | etot = -9.1333491251755 -582000 ekin = 1.92197052578147 | erot = 2.52092715153357 | epot = -13.5762468029765 | etot = -9.13334912566144 -583000 ekin = 1.96774925896735 | erot = 2.5622766080205 | epot = -13.6633749932296 | etot = -9.13334912624179 -584000 ekin = 2.00657374540193 | erot = 2.59498886543468 | epot = -13.7349117376582 | etot = -9.13334912682161 -585000 ekin = 2.03371871575739 | erot = 2.61566274201115 | epot = -13.7827305850522 | etot = -9.13334912728366 -586000 ekin = 2.04507827703348 | erot = 2.62214006252247 | epot = -13.8005674670738 | etot = -9.13334912751786 -587000 ekin = 2.03806243485725 | erot = 2.6141199488978 | epot = -13.7855315112163 | etot = -9.13334912746122 -588000 ekin = 2.01223115184455 | erot = 2.59335030112668 | epot = -13.7389305800982 | etot = -9.13334912712697 -589000 ekin = 1.96942837554738 | erot = 2.5632467336321 | epot = -13.6660242357853 | etot = -9.13334912660584 -590000 ekin = 1.91334419959305 | erot = 2.52801524733486 | epot = -13.5747085729613 | etot = -9.13334912603339 -591000 ekin = 1.84865383331265 | erot = 2.49158313368545 | epot = -13.4735860925352 | etot = -9.13334912553709 -592000 ekin = 1.7800600442048 | erot = 2.45674050607598 | epot = -13.3701496754675 | etot = -9.13334912518674 -593000 ekin = 1.71159279763216 | erot = 2.42478693107787 | epot = -13.2697288536903 | etot = -9.13334912498026 -594000 ekin = 1.64634946406535 | erot = 2.39569805899352 | epot = -13.1753966479312 | etot = -9.13334912487234 -595000 ekin = 1.58659479950168 | erot = 2.36854432554773 | epot = -13.08848824987 | etot = -9.13334912482058 -596000 ekin = 1.53398103552672 | erot = 2.3418217578273 | epot = -13.0091519181659 | etot = -9.13334912481192 -597000 ekin = 1.48969441623861 | erot = 2.31355286207825 | epot = -12.9365964031697 | etot = -9.13334912485281 -598000 ekin = 1.45449014891718 | erot = 2.28129539493194 | epot = -12.8691346687931 | etot = -9.133349124944 -599000 ekin = 1.42868283607278 | erot = 2.24230571377212 | epot = -12.8043376749072 | etot = -9.13334912506228 -600000 ekin = 1.41215819514151 | erot = 2.19421771507013 | epot = -12.7397250351106 | etot = -9.133349124899 -601000 ekin = 1.40437980065043 | erot = 2.13675092846565 | epot = -12.6744798541783 | etot = -9.13334912506218 -602000 ekin = 1.40442466854576 | erot = 2.0686359576303 | epot = -12.6064097512959 | etot = -9.13334912511984 -603000 ekin = 1.41112302450901 | erot = 1.98998056956515 | epot = -12.5344527191469 | etot = -9.13334912507278 -604000 ekin = 1.4231013515346 | erot = 1.90274524322012 | epot = -12.4591957197004 | etot = -9.13334912494573 -605000 ekin = 1.43883447823777 | erot = 1.81030632010434 | epot = -12.3824899231149 | etot = -9.13334912477274 -606000 ekin = 1.45673760096453 | erot = 1.7168424050433 | epot = -12.3069291305928 | etot = -9.133349124585 -607000 ekin = 1.4752986371436 | erot = 1.62672298752655 | epot = -12.2353707490741 | etot = -9.13334912440396 -608000 ekin = 1.49323166611483 | erot = 1.54399943868836 | epot = -12.1705802290446 | etot = -9.13334912424139 -609000 ekin = 1.50961256616777 | erot = 1.47208306433822 | epot = -12.1150447546167 | etot = -9.13334912411072 -610000 ekin = 1.52396039432232 | erot = 1.41350705715133 | epot = -12.0708165754694 | etot = -9.13334912399578 -611000 ekin = 1.53622860047837 | erot = 1.36992443741373 | epot = -12.039502161817 | etot = -9.13334912392491 -612000 ekin = 1.54668536626771 | erot = 1.3420536287331 | epot = -12.0220881189121 | etot = -9.13334912391134 -613000 ekin = 1.55571309696042 | erot = 1.32960894336408 | epot = -12.0186711642966 | etot = -9.13334912397207 -614000 ekin = 1.563563692219 | erot = 1.33131277563083 | epot = -12.0282255919713 | etot = -9.13334912412147 -615000 ekin = 1.57013881826698 | erot = 1.34494539762326 | epot = -12.0484333402285 | etot = -9.13334912433831 -616000 ekin = 1.57485681903816 | erot = 1.36757312206826 | epot = -12.0757790657655 | etot = -9.13334912465904 -617000 ekin = 1.57672646781027 | erot = 1.39546251367309 | epot = -12.105538106507 | etot = -9.13334912502361 -618000 ekin = 1.57456346737574 | erot = 1.4244801345404 | epot = -12.132392727295 | etot = -9.13334912537887 -619000 ekin = 1.5673294646989 | erot = 1.45059208153146 | epot = -12.1512706718936 | etot = -9.13334912566327 -620000 ekin = 1.55451321753706 | erot = 1.47039334455802 | epot = -12.1582556879157 | etot = -9.13334912582065 -621000 ekin = 1.53644782338304 | erot = 1.48161304591016 | epot = -12.1514099951074 | etot = -9.13334912581417 -622000 ekin = 1.51447783518414 | erot = 1.48347710481805 | epot = -12.1313040656382 | etot = -9.13334912563599 -623000 ekin = 1.49092960733273 | erot = 1.47683215248592 | epot = -12.1011108851286 | etot = -9.13334912530997 -624000 ekin = 1.4688613017048 | erot = 1.46422198591098 | epot = -12.0664324125277 | etot = -9.13334912491195 -625000 ekin = 1.45155188813316 | erot = 1.44918251593658 | epot = -12.034083528555 | etot = -9.13334912448521 -626000 ekin = 1.44224748158819 | erot = 1.43533399590959 | epot = -12.0109306015719 | etot = -9.13334912407414 -627000 ekin = 1.44381530881133 | erot = 1.42638005353812 | epot = -12.0035444860869 | etot = -9.13334912373746 -628000 ekin = 1.45833081621508 | erot = 1.42560824874111 | epot = -12.0172881884954 | etot = -9.13334912353925 -629000 ekin = 1.48676985538685 | erot = 1.43535417575888 | epot = -12.0554731546353 | etot = -9.13334912348959 -630000 ekin = 1.52866417050986 | erot = 1.45689184512165 | epot = -12.1189051392586 | etot = -9.13334912362712 -631000 ekin = 1.58193413340953 | erot = 1.49015054896213 | epot = -12.2054338063912 | etot = -9.13334912401955 -632000 ekin = 1.64234851057805 | erot = 1.53357750657515 | epot = -12.3092751416974 | etot = -9.13334912454419 -633000 ekin = 1.70466841199232 | erot = 1.58426390208643 | epot = -12.4222814392301 | etot = -9.13334912515131 -634000 ekin = 1.76318354701509 | erot = 1.6386058778909 | epot = -12.535138550642 | etot = -9.13334912573606 -635000 ekin = 1.8124262503678 | erot = 1.69306627319109 | epot = -12.6388416497458 | etot = -9.13334912618693 -636000 ekin = 1.84805557839874 | erot = 1.74492785468478 | epot = -12.7263325594999 | etot = -9.13334912641637 -637000 ekin = 1.86755595286166 | erot = 1.7928646555761 | epot = -12.7937697348498 | etot = -9.13334912641204 -638000 ekin = 1.87047357469836 | erot = 1.83697965055749 | epot = -12.8408023514645 | etot = -9.13334912620865 -639000 ekin = 1.85817220593915 | erot = 1.87849437004942 | epot = -12.8700157018716 | etot = -9.13334912588304 -640000 ekin = 1.83325502875125 | erot = 1.91930247134942 | epot = -12.8859066256153 | etot = -9.13334912551468 -641000 ekin = 1.79889805051336 | erot = 1.96149522930644 | epot = -12.8937424049792 | etot = -9.13334912515942 -642000 ekin = 1.75833330344306 | erot = 2.0070145451564 | epot = -12.8986969734556 | etot = -9.13334912485619 -643000 ekin = 1.71452400737735 | erot = 2.05742054583686 | epot = -12.9052936778113 | etot = -9.13334912459706 -644000 ekin = 1.67006045205506 | erot = 2.11379950765405 | epot = -12.9172090841409 | etot = -9.13334912443175 -645000 ekin = 1.62710169192397 | erot = 2.17652829046706 | epot = -12.9369791067501 | etot = -9.1333491243591 -646000 ekin = 1.58731920569661 | erot = 2.24499987971455 | epot = -12.9656682097832 | etot = -9.13334912437201 -647000 ekin = 1.55192879848518 | erot = 2.31774723145065 | epot = -13.0030251544301 | etot = -9.13334912449424 -648000 ekin = 1.52155547402964 | erot = 2.39216849404641 | epot = -13.0470730928058 | etot = -9.13334912472975 -649000 ekin = 1.49615701171073 | erot = 2.46459269466187 | epot = -13.0940988314493 | etot = -9.13334912507674 -650000 ekin = 1.47495820406704 | erot = 2.53042613107379 | epot = -13.1387334606614 | etot = -9.13334912552054 -651000 ekin = 1.45644758274541 | erot = 2.58442104122196 | epot = -13.1742177499967 | etot = -9.13334912602929 -652000 ekin = 1.4384805466879 | erot = 2.62109720355865 | epot = -13.1929268767948 | etot = -9.13334912654824 -653000 ekin = 1.4185353864548 | erot = 2.63533318878906 | epot = -13.1872177022428 | etot = -9.13334912699892 -654000 ekin = 1.39414099593459 | erot = 2.6231144598725 | epot = -13.1506045830999 | etot = -9.13334912729284 -655000 ekin = 1.36342278663345 | erot = 2.58232798191103 | epot = -13.0790998958767 | etot = -9.13334912733224 -656000 ekin = 1.32754554558812 | erot = 2.51343997306009 | epot = -12.9743346447928 | etot = -9.13334912614456 -657000 ekin = 1.07738759791824 | erot = 2.44669612962647 | epot = -12.6574327807795 | etot = -9.1333490532348 -658000 ekin = 1.00652014229351 | erot = 2.49084781646048 | epot = -12.6307170433127 | etot = -9.13334908455866 -659000 ekin = 1.07240085017135 | erot = 2.4292990183042 | epot = -12.6350489837628 | etot = -9.13334911528726 -660000 ekin = 1.09381648980313 | erot = 2.3010230826046 | epot = -12.528188687904 | etot = -9.13334911549627 -661000 ekin = 1.11701334337659 | erot = 2.16959631553002 | epot = -12.4199587738017 | etot = -9.13334911489508 -662000 ekin = 1.14263894057787 | erot = 2.04231481244588 | epot = -12.3183028674738 | etot = -9.13334911445 -663000 ekin = 1.17093665277018 | erot = 1.92510458368601 | epot = -12.2293903506333 | etot = -9.13334911417715 -664000 ekin = 1.20146324496878 | erot = 1.82207009509857 | epot = -12.156882454157 | etot = -9.13334911408967 -665000 ekin = 1.2328903244818 | erot = 1.73564836426701 | epot = -12.1018878027908 | etot = -9.13334911404196 -666000 ekin = 1.26340464455561 | erot = 1.66702592667295 | epot = -12.0637796854931 | etot = -9.13334911426453 -667000 ekin = 1.29102574815048 | erot = 1.61488086819728 | epot = -12.0392557309118 | etot = -9.13334911456403 -668000 ekin = 1.31376054135466 | erot = 1.57649712773101 | epot = -12.0236067839929 | etot = -9.1333491149072 -669000 ekin = 1.32989404566059 | erot = 1.54828621181143 | epot = -12.0115293727016 | etot = -9.13334911522957 -670000 ekin = 1.33826340891376 | erot = 1.52640844797163 | epot = -11.9980209723715 | etot = -9.13334911548607 -671000 ekin = 1.33847461323971 | erot = 1.50724764864628 | epot = -11.979071377528 | etot = -9.13334911564201 -672000 ekin = 1.3310196955529 | erot = 1.48781306139119 | epot = -11.9521818726236 | etot = -9.13334911567955 -673000 ekin = 1.31737035051771 | erot = 1.46610228052978 | epot = -11.9168217466101 | etot = -9.13334911556266 -674000 ekin = 1.2999252179878 | erot = 1.44131241760654 | epot = -11.8745867509713 | etot = -9.13334911537699 -675000 ekin = 1.28129254583113 | erot = 1.41347048294326 | epot = -11.8281121439111 | etot = -9.13334911513667 -676000 ekin = 1.26413925334382 | erot = 1.38336835396219 | epot = -11.7808567221925 | etot = -9.13334911488653 -677000 ekin = 1.25080949630729 | erot = 1.35227525691902 | epot = -11.7364338679181 | etot = -9.13334911469175 -678000 ekin = 1.24240325884752 | erot = 1.32122246362882 | epot = -11.6969748370346 | etot = -9.13334911455831 -679000 ekin = 1.23935164125775 | erot = 1.29124446460097 | epot = -11.663945220358 | etot = -9.13334911449931 -680000 ekin = 1.24151057852865 | erot = 1.2635834883011 | epot = -11.638443181176 | etot = -9.13334911434626 -681000 ekin = 1.2481079198664 | erot = 1.23998966299057 | epot = -11.6214466973231 | etot = -9.13334911446618 -682000 ekin = 1.257380884739 | erot = 1.22073219169185 | epot = -11.6114621910611 | etot = -9.13334911463027 -683000 ekin = 1.26715254865479 | erot = 1.20554909693427 | epot = -11.6060507603996 | etot = -9.13334911481052 -684000 ekin = 1.27521936885684 | erot = 1.19392995255055 | epot = -11.6024984363864 | etot = -9.13334911497898 -685000 ekin = 1.27965818659302 | erot = 1.18525667279546 | epot = -11.5982639744928 | etot = -9.13334911510429 -686000 ekin = 1.27906445707785 | erot = 1.17887846189336 | epot = -11.5912920341624 | etot = -9.1333491151912 -687000 ekin = 1.27268261755062 | erot = 1.17407129020767 | epot = -11.5801030230189 | etot = -9.13334911526056 -688000 ekin = 1.2604191440757 | erot = 1.17007604782204 | epot = -11.5638443071263 | etot = -9.1333491152286 -689000 ekin = 1.24287938496311 | erot = 1.16656725573226 | epot = -11.5427957558532 | etot = -9.13334911515785 -690000 ekin = 1.2211824040556 | erot = 1.16336387130235 | epot = -11.5178953904181 | etot = -9.13334911506011 -691000 ekin = 1.19679867225831 | erot = 1.16037339232328 | epot = -11.4905211795286 | etot = -9.13334911494703 -692000 ekin = 1.17139142556005 | erot = 1.15758648592469 | epot = -11.4623270263132 | etot = -9.13334911482849 -693000 ekin = 1.14685376597763 | erot = 1.15519232866932 | epot = -11.4353952091884 | etot = -9.13334911454142 -694000 ekin = 1.12537035279197 | erot = 1.15368599835963 | epot = -11.4124054656052 | etot = -9.13334911445361 -695000 ekin = 1.10824764597993 | erot = 1.15324052660334 | epot = -11.3948372869664 | etot = -9.13334911438314 -696000 ekin = 1.0964152489969 | erot = 1.15407441364564 | epot = -11.3838387769781 | etot = -9.13334911433559 -697000 ekin = 1.09040706960405 | erot = 1.15645735234421 | epot = -11.3802135362665 | etot = -9.13334911431825 -698000 ekin = 1.09030542376955 | erot = 1.16063392710707 | epot = -11.384288465206 | etot = -9.13334911432937 -699000 ekin = 1.09552536142799 | erot = 1.16669639941878 | epot = -11.3955708752099 | etot = -9.13334911436315 -700000 ekin = 1.10527379804157 | erot = 1.17478862115957 | epot = -11.4134115336379 | etot = -9.13334911443675 -701000 ekin = 1.11851271409214 | erot = 1.18492470948231 | epot = -11.4367865380995 | etot = -9.13334911452505 -702000 ekin = 1.13395549373925 | erot = 1.19694667251692 | epot = -11.4642512808869 | etot = -9.13334911463076 -703000 ekin = 1.15018285434544 | erot = 1.21057055971299 | epot = -11.4941025288036 | etot = -9.1333491147452 -704000 ekin = 1.16576673459169 | erot = 1.22535908059982 | epot = -11.5244749300498 | etot = -9.1333491148583 -705000 ekin = 1.17938915504808 | erot = 1.24076765313842 | epot = -11.5535059231453 | etot = -9.13334911495876 -706000 ekin = 1.18994261307642 | erot = 1.25622348494356 | epot = -11.5795152130563 | etot = -9.1333491150363 -707000 ekin = 1.19660107196796 | erot = 1.27122780267074 | epot = -11.6011779897208 | etot = -9.13334911508208 -708000 ekin = 1.19885615187931 | erot = 1.2854633226749 | epot = -11.6176685896449 | etot = -9.13334911509071 -709000 ekin = 1.19651981510658 | erot = 1.29888532038428 | epot = -11.6287542505517 | etot = -9.13334911506088 -710000 ekin = 1.1896995749825 | erot = 1.31177606554588 | epot = -11.6348247555237 | etot = -9.13334911499534 -711000 ekin = 1.17875387603898 | erot = 1.32474791483616 | epot = -11.636850905777 | etot = -9.13334911490182 -712000 ekin = 1.16423391784884 | erot = 1.33868945230085 | epot = -11.6362724849409 | etot = -9.13334911479125 -713000 ekin = 1.14681758774029 | erot = 1.3546630535206 | epot = -11.6348297559395 | etot = -9.13334911467859 -714000 ekin = 1.12724173591538 | erot = 1.37373509015582 | epot = -11.6343259406492 | etot = -9.13334911457805 -715000 ekin = 1.10624050750783 | erot = 1.39681075799666 | epot = -11.6364003800083 | etot = -9.13334911450384 -716000 ekin = 1.08449847089723 | erot = 1.42446438146828 | epot = -11.6423119668325 | etot = -9.13334911446702 -717000 ekin = 1.0626258673095 | erot = 1.45678801965701 | epot = -11.6527630014408 | etot = -9.13334911447428 -718000 ekin = 1.0411605651836 | erot = 1.493285805019 | epot = -11.6677954847286 | etot = -9.13334911452601 -719000 ekin = 1.02059756447165 | erot = 1.5328356540972 | epot = -11.6867823331847 | etot = -9.13334911461582 -720000 ekin = 1.00144276091742 | erot = 1.5737347811105 | epot = -11.708526656758 | etot = -9.13334911473003 -721000 ekin = 0.984282698242622 | erot = 1.61383653734357 | epot = -11.7314683504355 | etot = -9.13334911484931 -722000 ekin = 0.969856334576067 | erot = 1.65076935461989 | epot = -11.7539748041515 | etot = -9.1333491149555 -723000 ekin = 0.959109074096986 | erot = 1.68219090543913 | epot = -11.7746490945585 | etot = -9.13334911502237 -724000 ekin = 0.953206498552839 | erot = 1.70610525283234 | epot = -11.7926608664234 | etot = -9.13334911503819 -725000 ekin = 0.953487871459188 | erot = 1.72112406448039 | epot = -11.8079610509383 | etot = -9.13334911499874 -726000 ekin = 0.96134842044988 | erot = 1.72664218758949 | epot = -11.8213397229517 | etot = -9.13334911491229 -727000 ekin = 0.978055187001709 | erot = 1.72290320035172 | epot = -11.8343075021501 | etot = -9.13334911479668 -728000 ekin = 1.00452582498075 | erot = 1.71095374109418 | epot = -11.8488286807485 | etot = -9.13334911467359 -729000 ekin = 1.041101375805 | erot = 1.6925221534298 | epot = -11.8669726438041 | etot = -9.13334911456933 -730000 ekin = 1.08735958691132 | erot = 1.66981008960002 | epot = -11.8905187910182 | etot = -9.13334911450692 -731000 ekin = 1.14200418376082 | erot = 1.64524141707914 | epot = -11.9205947153442 | etot = -9.13334911450421 -732000 ekin = 1.2028531801544 | erot = 1.6211909571491 | epot = -11.9573932518755 | etot = -9.13334911457201 -733000 ekin = 1.26692596392809 | erot = 1.59976528911575 | epot = -12.0000403677474 | etot = -9.13334911470354 -734000 ekin = 1.33064406419401 | erot = 1.58254289882086 | epot = -12.0465360779241 | etot = -9.13334911490923 -735000 ekin = 1.39013484389891 | erot = 1.57032898634687 | epot = -12.093812945406 | etot = -9.13334911516024 -736000 ekin = 1.44157509140931 | erot = 1.56317476789936 | epot = -12.1380989747374 | etot = -9.13334911542874 -737000 ekin = 1.48157845590956 | erot = 1.56044545882736 | epot = -12.175373030415 | etot = -9.13334911567811 -738000 ekin = 1.50757504379143 | erot = 1.56100911668234 | epot = -12.201933276343 | etot = -9.13334911586924 -739000 ekin = 1.51813561813258 | erot = 1.5635209253064 | epot = -12.2150056594058 | etot = -9.13334911596682 -740000 ekin = 1.51318914849964 | erot = 1.56675183786185 | epot = -12.213290102308 | etot = -9.1333491159465 -741000 ekin = 1.49408865830542 | erot = 1.56989906105133 | epot = -12.197336835157 | etot = -9.1333491158003 -742000 ekin = 1.46350061535832 | erot = 1.57280025701738 | epot = -12.1696499879178 | etot = -9.13334911554208 -743000 ekin = 1.42512524133836 | erot = 1.57593310601688 | epot = -12.1344074625233 | etot = -9.13334911516808 -744000 ekin = 1.38338487585034 | erot = 1.58054361279092 | epot = -12.0972776034393 | etot = -9.13334911479806 -745000 ekin = 1.34281951273504 | erot = 1.58823582841167 | epot = -12.0644044556028 | etot = -9.13334911445607 -746000 ekin = 1.30747334764684 | erot = 1.60047096981066 | epot = -12.0412934316558 | etot = -9.13334911419833 -747000 ekin = 1.28046646004539 | erot = 1.6182176866567 | epot = -12.0320332607954 | etot = -9.13334911409333 -748000 ekin = 1.26367955922522 | erot = 1.6413289314295 | epot = -12.0383576048251 | etot = -9.1333491141704 -749000 ekin = 1.25742934418728 | erot = 1.6683144002363 | epot = -12.0590928588618 | etot = -9.13334911443821 -750000 ekin = 1.26047795506412 | erot = 1.69628448613638 | epot = -12.0901115560516 | etot = -9.13334911485111 -751000 ekin = 1.27026186445649 | erot = 1.7213338688469 | epot = -12.1249448486435 | etot = -9.13334911534013 -752000 ekin = 1.28339547084868 | erot = 1.73919075504447 | epot = -12.1559353417022 | etot = -9.13334911580908 -753000 ekin = 1.29635957465195 | erot = 1.74596876190635 | epot = -12.1756774527778 | etot = -9.13334911621948 -754000 ekin = 1.30599158739589 | erot = 1.73885024062191 | epot = -12.1781909444063 | etot = -9.13334911638853 -755000 ekin = 1.31024888114924 | erot = 1.71683511467272 | epot = -12.1604331121636 | etot = -9.13334911634163 -756000 ekin = 1.30846938320446 | erot = 1.68097972248998 | epot = -12.1227982217864 | etot = -9.13334911609197 -757000 ekin = 1.30124985040436 | erot = 1.63419006476215 | epot = -12.0687890308559 | etot = -9.13334911568938 -758000 ekin = 1.2901964108967 | erot = 1.58073563388977 | epot = -12.0042811599911 | etot = -9.13334911520461 -759000 ekin = 1.27761222226823 | erot = 1.52554636406693 | epot = -11.9365077010342 | etot = -9.13334911469902 -760000 ekin = 1.26609069505968 | erot = 1.47348693038979 | epot = -11.8729267397086 | etot = -9.13334911425916 -761000 ekin = 1.25808964010813 | erot = 1.42869550463111 | epot = -11.8201342586633 | etot = -9.13334911392401 -762000 ekin = 1.25572222199678 | erot = 1.39407442312114 | epot = -11.7831457588671 | etot = -9.13334911374923 -763000 ekin = 1.26054534568777 | erot = 1.37090045945164 | epot = -11.7647949188355 | etot = -9.13334911369611 -764000 ekin = 1.27353435438893 | erot = 1.35887199087599 | epot = -11.765755459057 | etot = -9.13334911379209 -765000 ekin = 1.29496682598708 | erot = 1.35616457699752 | epot = -11.784480516978 | etot = -9.13334911399342 -766000 ekin = 1.32454629040877 | erot = 1.35977679504827 | epot = -11.8176721997206 | etot = -9.13334911426354 -767000 ekin = 1.36163954270418 | erot = 1.36618632226284 | epot = -11.8611749795223 | etot = -9.13334911455532 -768000 ekin = 1.40531019891056 | erot = 1.37181010086345 | epot = -11.9104694146033 | etot = -9.1333491148293 -769000 ekin = 1.45446512867426 | erot = 1.3735349805472 | epot = -11.9613492242621 | etot = -9.13334911504064 -770000 ekin = 1.50793050150594 | erot = 1.36921125653879 | epot = -12.0104908732812 | etot = -9.13334911523644 -771000 ekin = 1.56389616691507 | erot = 1.35775090665738 | epot = -12.0549961888307 | etot = -9.13334911525823 -772000 ekin = 1.62113703502565 | erot = 1.3397032351014 | epot = -12.0941893853161 | etot = -9.13334911518905 -773000 ekin = 1.67872851567452 | erot = 1.31702982994443 | epot = -12.1291074606815 | etot = -9.13334911506253 -774000 ekin = 1.73569257106584 | erot = 1.29264163256045 | epot = -12.161683318549 | etot = -9.13334911492273 -775000 ekin = 1.79085656131151 | erot = 1.26988000057613 | epot = -12.1940856766996 | etot = -9.13334911481191 -776000 ekin = 1.84276100465629 | erot = 1.25197534043462 | epot = -12.22808545985 | etot = -9.1333491147591 -777000 ekin = 1.88967118601021 | erot = 1.24159765896537 | epot = -12.2646179597479 | etot = -9.13334911477235 -778000 ekin = 1.92971622257856 | erot = 1.24057583219052 | epot = -12.3036411696102 | etot = -9.13334911484109 -779000 ekin = 1.9611316425201 | erot = 1.24980912497287 | epot = -12.3442898824337 | etot = -9.13334911494076 -780000 ekin = 1.98254203383388 | erot = 1.26932045670087 | epot = -12.3852116055787 | etot = -9.13334911504397 -781000 ekin = 1.99321406402893 | erot = 1.29840823520918 | epot = -12.424971414368 | etot = -9.13334911512989 -782000 ekin = 1.99321095938066 | erot = 1.33580885493627 | epot = -12.4623689295052 | etot = -9.13334911518827 -783000 ekin = 1.98342491290893 | erot = 1.37983642299143 | epot = -12.4966104511182 | etot = -9.13334911521788 -784000 ekin = 1.9655123842759 | erot = 1.42849371621316 | epot = -12.5273552156592 | etot = -9.13334911517014 -785000 ekin = 1.94195910109809 | erot = 1.4796134882127 | epot = -12.5549217044722 | etot = -9.13334911516144 -786000 ekin = 1.91549982324098 | erot = 1.53087711625688 | epot = -12.5797260546341 | etot = -9.13334911513619 -787000 ekin = 1.88902915931362 | erot = 1.57997565974334 | epot = -12.6023539341502 | etot = -9.13334911509327 -788000 ekin = 1.86553746552517 | erot = 1.62478646023569 | epot = -12.6236730407985 | etot = -9.13334911503765 -789000 ekin = 1.84793067282888 | erot = 1.66350572424678 | epot = -12.64478551204 | etot = -9.13334911496435 -790000 ekin = 1.83884831411046 | erot = 1.69477325869788 | epot = -12.666970687703 | etot = -9.13334911489468 -791000 ekin = 1.84038435200563 | erot = 1.7176812784652 | epot = -12.6914147453263 | etot = -9.13334911485547 -792000 ekin = 1.85374621230498 | erot = 1.73169683788286 | epot = -12.7187921650658 | etot = -9.13334911487796 -793000 ekin = 1.8789217872916 | erot = 1.73653576921967 | epot = -12.7488066714975 | etot = -9.13334911498622 -794000 ekin = 1.91440510045115 | erot = 1.73204169925583 | epot = -12.7797959148858 | etot = -9.13334911517881 -795000 ekin = 1.95726697872348 | erot = 1.71818976214858 | epot = -12.8088058562927 | etot = -9.13334911542061 -796000 ekin = 2.00360851779832 | erot = 1.69525335456394 | epot = -12.83221098801 | etot = -9.13334911564777 -797000 ekin = 2.04914358120832 | erot = 1.6640594673882 | epot = -12.8465521643865 | etot = -9.13334911578995 -798000 ekin = 2.08995546228143 | erot = 1.62623745949242 | epot = -12.8495420375764 | etot = -9.13334911580254 -799000 ekin = 2.12309292252157 | erot = 1.58427028112694 | epot = -12.8407123193349 | etot = -9.13334911568641 -800000 ekin = 2.14682990848697 | erot = 1.54126138555531 | epot = -12.8214404095241 | etot = -9.1333491154818 -801000 ekin = 2.16058282774156 | erot = 1.50048202043082 | epot = -12.7944139634182 | etot = -9.13334911524585 -802000 ekin = 2.16461511111025 | erot = 1.46486615498777 | epot = -12.7628303811285 | etot = -9.13334911503043 -803000 ekin = 2.15969104318309 | erot = 1.43661335438027 | epot = -12.7296535124319 | etot = -9.13334911486852 -804000 ekin = 2.14679128689927 | erot = 1.41698988504299 | epot = -12.6971302867013 | etot = -9.133349114759 -805000 ekin = 2.12692065946171 | erot = 1.40638520511209 | epot = -12.6666549792979 | etot = -9.13334911472415 -806000 ekin = 2.10099028265881 | erot = 1.40422932571964 | epot = -12.638568723139 | etot = -9.13334911476051 -807000 ekin = 2.06982763844373 | erot = 1.40909451156273 | epot = -12.6122712648444 | etot = -9.13334911483793 -808000 ekin = 2.03419092300448 | erot = 1.4191942216523 | epot = -12.5867342595854 | etot = -9.13334911492858 -809000 ekin = 1.99478586658702 | erot = 1.43238858340406 | epot = -12.5605235650437 | etot = -9.13334911505266 -810000 ekin = 1.95230744549328 | erot = 1.44625258193298 | epot = -12.5319091426013 | etot = -9.13334911517508 -811000 ekin = 1.90747094191263 | erot = 1.45847148724801 | epot = -12.4992915444435 | etot = -9.13334911528283 -812000 ekin = 1.86102893104771 | erot = 1.4670396355065 | epot = -12.4614176819174 | etot = -9.1333491153632 -813000 ekin = 1.81416432245149 | erot = 1.47049868910168 | epot = -12.4180121266893 | etot = -9.13334911513612 -814000 ekin = 1.76902926168515 | erot = 1.46826739314062 | epot = -12.3706457701111 | etot = -9.13334911528532 -815000 ekin = 1.71533069951599 | erot = 1.45797598426857 | epot = -12.3066557948091 | etot = -9.13334911102451 -816000 ekin = 1.68468183703012 | erot = 1.43935942021377 | epot = -12.2573903676517 | etot = -9.13334911040781 -817000 ekin = 1.67569540451046 | erot = 1.42022759194491 | epot = -12.2292721046041 | etot = -9.13334910814875 -818000 ekin = 1.6543180407743 | erot = 1.40071144600671 | epot = -12.1883785945421 | etot = -9.1333491077611 -819000 ekin = 1.63740188370202 | erot = 1.3825693171654 | epot = -12.1533203082532 | etot = -9.13334910738577 -820000 ekin = 1.62512170449269 | erot = 1.36928168851892 | epot = -12.1277525000358 | etot = -9.13334910702415 -821000 ekin = 1.61915909096608 | erot = 1.36404110714174 | epot = -12.1165493048155 | etot = -9.13334910670769 -822000 ekin = 1.62172343975879 | erot = 1.36925913745439 | epot = -12.1243316837311 | etot = -9.1333491065179 -823000 ekin = 1.63427494813185 | erot = 1.38616632187947 | epot = -12.1537903765206 | etot = -9.13334910650931 -824000 ekin = 1.65698382619249 | erot = 1.41459711182067 | epot = -12.2049300447062 | etot = -9.13334910669302 -825000 ekin = 1.68854753275391 | erot = 1.45301631838177 | epot = -12.2749129581741 | etot = -9.13334910703845 -826000 ekin = 1.72638863498139 | erot = 1.49875661575832 | epot = -12.3584943582278 | etot = -9.13334910748809 -827000 ekin = 1.7671042338297 | erot = 1.54839439230476 | epot = -12.4488477341105 | etot = -9.13334910797603 -828000 ekin = 1.8069848233623 | erot = 1.59818184897738 | epot = -12.5385157807839 | etot = -9.13334910844426 -829000 ekin = 1.84246939972193 | erot = 1.64447465714772 | epot = -12.6202931657147 | etot = -9.13334910884503 -830000 ekin = 1.87048980345312 | erot = 1.68412933436257 | epot = -12.6879682469559 | etot = -9.13334910914018 -831000 ekin = 1.88871335829486 | erot = 1.71486645415863 | epot = -12.7369289217531 | etot = -9.13334910929959 -832000 ekin = 1.8956991679299 | erot = 1.73558694750314 | epot = -12.7646352247374 | etot = -9.13334910930432 -833000 ekin = 1.89096344936275 | erot = 1.74659447550954 | epot = -12.7709070340259 | etot = -9.13334910915363 -834000 ekin = 1.87493429544978 | erot = 1.74964392180032 | epot = -12.757927326139 | etot = -9.13334910888886 -835000 ekin = 1.84878280513717 | erot = 1.7476202730817 | epot = -12.7297521867426 | etot = -9.13334910852377 -836000 ekin = 1.81414476908622 | erot = 1.74421722089262 | epot = -12.6917110981184 | etot = -9.13334910813955 -837000 ekin = 1.77277875466035 | erot = 1.74335285140424 | epot = -12.649480713868 | etot = -9.13334910780345 -838000 ekin = 1.72624445529917 | erot = 1.74841404793899 | epot = -12.6080076108044 | etot = -9.1333491075663 -839000 ekin = 1.67568816109172 | erot = 1.76165550556133 | epot = -12.5706927741081 | etot = -9.13334910745503 -840000 ekin = 1.62179135097772 | erot = 1.78387657047957 | epot = -12.5390170289133 | etot = -9.13334910745602 -841000 ekin = 1.56488441149642 | erot = 1.81456573945265 | epot = -12.5127992584871 | etot = -9.13334910753799 -842000 ekin = 1.50517399561483 | erot = 1.85205645867799 | epot = -12.4905795619901 | etot = -9.1333491076973 -843000 ekin = 1.44300548282572 | erot = 1.89358112525555 | epot = -12.4699357158877 | etot = -9.13334910780638 -844000 ekin = 1.37906620629623 | erot = 1.93639685189906 | epot = -12.4488121660662 | etot = -9.1333491078709 -845000 ekin = 1.31446352832021 | erot = 1.97812996440304 | epot = -12.4259426005943 | etot = -9.13334910787105 -846000 ekin = 1.25068692328186 | erot = 2.0170023495777 | epot = -12.4010383806625 | etot = -9.13334910780295 -847000 ekin = 1.18947724706781 | erot = 2.05204320496021 | epot = -12.3748695597031 | etot = -9.13334910767511 -848000 ekin = 1.13265732503597 | erot = 2.08314733282525 | epot = -12.3491537653654 | etot = -9.13334910750421 -849000 ekin = 1.08197657768912 | erot = 2.11099249699057 | epot = -12.3263181819891 | etot = -9.13334910730939 -850000 ekin = 1.03899924536999 | erot = 2.13684654288889 | epot = -12.3091948953714 | etot = -9.13334910711252 -851000 ekin = 1.00503792488698 | erot = 2.16230618703386 | epot = -12.3006932188552 | etot = -9.13334910693433 -852000 ekin = 0.981116857862461 | erot = 2.18901371777386 | epot = -12.3034796824288 | etot = -9.13334910679252 -853000 ekin = 0.967947652214265 | erot = 2.21839549976 | epot = -12.3196922586772 | etot = -9.13334910670291 -854000 ekin = 0.965908910680345 | erot = 2.25145766404042 | epot = -12.350715681394 | etot = -9.13334910667321 -855000 ekin = 0.975031148285144 | erot = 2.28866143870958 | epot = -12.3970416937005 | etot = -9.13334910670573 -856000 ekin = 0.994993726111922 | erot = 2.32988587268686 | epot = -12.458228705595 | etot = -9.13334910679624 -857000 ekin = 1.02514000045526 | erot = 2.37447147766155 | epot = -12.5329605850519 | etot = -9.1333491069351 -858000 ekin = 1.06451194042811 | erot = 2.42132581265304 | epot = -12.6191868601907 | etot = -9.13334910710959 -859000 ekin = 1.11189872921032 | erot = 2.4690621764797 | epot = -12.7143100129972 | etot = -9.13334910730715 -860000 ekin = 1.16588800432851 | erot = 2.51613734357938 | epot = -12.8153744554262 | etot = -9.1333491075183 -861000 ekin = 1.22490604810107 | erot = 2.56095681693497 | epot = -12.9192119727746 | etot = -9.13334910773851 -862000 ekin = 1.28723632581143 | erot = 2.60192847235753 | epot = -13.0225139061385 | etot = -9.13334910796952 -863000 ekin = 1.3510143193897 | erot = 2.63746581473987 | epot = -13.1218292423449 | etot = -9.13334910821536 -864000 ekin = 1.41420820519538 | erot = 2.66596355872735 | epot = -13.213520872402 | etot = -9.13334910847929 -865000 ekin = 1.47460562929754 | erot = 2.68578195462017 | epot = -13.2937366926771 | etot = -9.13334910875935 -866000 ekin = 1.52983303721746 | erot = 2.69527584724675 | epot = -13.3584579935089 | etot = -9.13334910904468 -867000 ekin = 1.57743376517692 | erot = 2.69288933093158 | epot = -13.4036722054228 | etot = -9.1333491093143 -868000 ekin = 1.61502389037981 | erot = 2.67731200497068 | epot = -13.4256850048896 | etot = -9.13334910953911 -869000 ekin = 1.64053051308534 | erot = 2.64766625523692 | epot = -13.4215458780077 | etot = -9.13334910968546 -870000 ekin = 1.65249590024961 | erot = 2.60367561911745 | epot = -13.3895206290897 | etot = -9.13334910972266 -871000 ekin = 1.65040511753298 | erot = 2.54576053409616 | epot = -13.3295147612589 | etot = -9.13334910962978 -872000 ekin = 1.63497077369899 | erot = 2.47502461258462 | epot = -13.2433444956856 | etot = -9.133349109402 -873000 ekin = 1.60829551084935 | erot = 2.39312864666234 | epot = -13.1347732665654 | etot = -9.13334910905374 -874000 ekin = 1.57383856496055 | erot = 2.30208675131772 | epot = -13.0092744248964 | etot = -9.13334910861812 -875000 ekin = 1.53613967510654 | erot = 2.20404109160993 | epot = -12.8735298748602 | etot = -9.13334910814374 -876000 ekin = 1.50030007469727 | erot = 2.10106901465442 | epot = -12.7347181970396 | etot = -9.13334910768791 -877000 ekin = 1.47128183648615 | erot = 1.9950559248475 | epot = -12.5996868686408 | etot = -9.13334910730713 -878000 ekin = 1.45315269233919 | erot = 1.88764504252361 | epot = -12.4741468419076 | etot = -9.13334910704481 -879000 ekin = 1.44845009592096 | erot = 1.78026193724247 | epot = -12.3620611400824 | etot = -9.13334910691899 -880000 ekin = 1.45783397194371 | erot = 1.67420503622043 | epot = -12.2653881150816 | etot = -9.13334910691747 -881000 ekin = 1.48012455417244 | erot = 1.57078382964924 | epot = -12.184257490823 | etot = -9.13334910700136 -882000 ekin = 1.51270015737959 | erot = 1.47147015193218 | epot = -12.1175194164301 | etot = -9.13334910711833 -883000 ekin = 1.55211568292956 | erot = 1.3780124488386 | epot = -12.0634772389891 | etot = -9.13334910722097 -884000 ekin = 1.59475301551035 | erot = 1.29246300163619 | epot = -12.0205651244261 | etot = -9.13334910727952 -885000 ekin = 1.63734681493634 | erot = 1.21709221485511 | epot = -11.9877881370758 | etot = -9.13334910728433 -886000 ekin = 1.67731211301505 | erot = 1.15420415260406 | epot = -11.964865372863 | etot = -9.13334910724389 -887000 ekin = 1.71288068346796 | erot = 1.10590165063358 | epot = -11.9521314412762 | etot = -9.13334910717465 -888000 ekin = 1.74309500658037 | erot = 1.0738583453026 | epot = -11.950302458979 | etot = -9.13334910709607 -889000 ekin = 1.76770969092178 | erot = 1.05913784423415 | epot = -11.9601966421833 | etot = -9.13334910702742 -890000 ekin = 1.78703240996917 | erot = 1.06207375034143 | epot = -11.9824552672978 | etot = -9.1333491069872 -891000 ekin = 1.80172329225239 | erot = 1.0822074746527 | epot = -12.0172798738974 | etot = -9.13334910699232 -892000 ekin = 1.81257293682803 | erot = 1.11828058017375 | epot = -12.0642026240573 | etot = -9.13334910705554 -893000 ekin = 1.82028982711245 | erot = 1.16828769624483 | epot = -12.1219266305377 | etot = -9.13334910718043 -894000 ekin = 1.82533649727562 | erot = 1.22960280171444 | epot = -12.1882884063505 | etot = -9.13334910736046 -895000 ekin = 1.82785071658345 | erot = 1.29918775471572 | epot = -12.2603875788748 | etot = -9.13334910757561 -896000 ekin = 1.82766966746167 | erot = 1.37387583337395 | epot = -12.3348946086319 | etot = -9.13334910779625 -897000 ekin = 1.82444603805884 | erot = 1.450698935459 | epot = -12.4084940815071 | etot = -9.1333491079893 -898000 ekin = 1.81781661002986 | erot = 1.52720356358779 | epot = -12.4783692817442 | etot = -9.13334910812654 -899000 ekin = 1.80756915106169 | erot = 1.60168843031701 | epot = -12.542606689571 | etot = -9.13334910819232 -900000 ekin = 1.79375843952035 | erot = 1.67330364935026 | epot = -12.6004111970587 | etot = -9.13334910818809 -901000 ekin = 1.77674318471729 | erot = 1.74197941470073 | epot = -12.6520717075493 | etot = -9.13334910813131 -902000 ekin = 1.75714245724149 | erot = 1.80819394413506 | epot = -12.6986855094274 | etot = -9.13334910805086 -903000 ekin = 1.73573344436742 | erot = 1.87263325997332 | epot = -12.7417158123196 | etot = -9.13334910797882 -904000 ekin = 1.71332625903819 | erot = 1.93582474199559 | epot = -12.7825001089758 | etot = -9.13334910794204 -905000 ekin = 1.69065428565829 | erot = 1.99783248447312 | epot = -12.8218358780868 | etot = -9.13334910795542 -906000 ekin = 1.66831072851898 | erot = 2.0580838142567 | epot = -12.8597436507951 | etot = -9.1333491080194 -907000 ekin = 1.64674588300155 | erot = 2.11535919829805 | epot = -12.8954541894192 | etot = -9.13334910811959 -908000 ekin = 1.62631907110854 | erot = 2.16793324018485 | epot = -12.9276014195275 | etot = -9.1333491082341 -909000 ekin = 1.60738004097872 | erot = 2.21381581989075 | epot = -12.9545449692098 | etot = -9.13334910834033 -910000 ekin = 1.59034402489554 | erot = 2.25102295606656 | epot = -12.9747160893832 | etot = -9.13334910842113 -911000 ekin = 1.5757278270972 | erot = 2.27781488088298 | epot = -12.9868918164479 | etot = -9.1333491084677 -912000 ekin = 1.56413054682574 | erot = 2.29287003009408 | epot = -12.9903496853987 | etot = -9.1333491084789 -913000 ekin = 1.55616398737313 | erot = 2.29539983338945 | epot = -12.9849129292197 | etot = -9.13334910845709 -914000 ekin = 1.55235379274234 | erot = 2.28522760390945 | epot = -12.9709305050575 | etot = -9.13334910840569 -915000 ekin = 1.55303636075931 | erot = 2.26284508700303 | epot = -12.9492305560909 | etot = -9.13334910832854 -916000 ekin = 1.55827003373402 | erot = 2.22943339363176 | epot = -12.9210525355978 | etot = -9.13334910823199 -917000 ekin = 1.56776924055919 | erot = 2.18681551600403 | epot = -12.8879338646899 | etot = -9.13334910812669 -918000 ekin = 1.58086450735616 | erot = 2.13731406707604 | epot = -12.8515276824606 | etot = -9.13334910802844 -919000 ekin = 1.59649190921356 | erot = 2.08351907894305 | epot = -12.8133600961094 | etot = -9.13334910795276 -920000 ekin = 1.61321892883215 | erot = 2.02800735916391 | epot = -12.7745753959083 | etot = -9.13334910791224 -921000 ekin = 1.62931395437166 | erot = 1.97307497750016 | epot = -12.7357380397844 | etot = -9.1333491079126 -922000 ekin = 1.64286104745973 | erot = 1.92053870339868 | epot = -12.6967488588085 | etot = -9.1333491079501 -923000 ekin = 1.6519123439022 | erot = 1.87163759206758 | epot = -12.6568990439832 | etot = -9.13334910801338 -924000 ekin = 1.65466206200493 | erot = 1.82703710611869 | epot = -12.6150482762095 | etot = -9.13334910808586 -925000 ekin = 1.64962158355265 | erot = 1.78691680127086 | epot = -12.5698874929728 | etot = -9.13334910814926 -926000 ekin = 1.63577435705081 | erot = 1.75111283229508 | epot = -12.5202362975322 | etot = -9.13334910818633 -927000 ekin = 1.61269412580165 | erot = 1.71928618606909 | epot = -12.4653294200535 | etot = -9.13334910818274 -928000 ekin = 1.58061327337614 | erot = 1.69109387512271 | epot = -12.4050562566278 | etot = -9.1333491081289 -929000 ekin = 1.54043465717785 | erot = 1.66634444993334 | epot = -12.3401282151314 | etot = -9.13334910802019 -930000 ekin = 1.49368612296071 | erot = 1.64511875929312 | epot = -12.272153990113 | etot = -9.13334910785914 -931000 ekin = 1.44242020034653 | erot = 1.62783092394405 | epot = -12.2036002319477 | etot = -9.13334910765707 -932000 ekin = 1.38906420476601 | erot = 1.61520048768548 | epot = -12.1376137998864 | etot = -9.13334910743492 -933000 ekin = 1.33622958394485 | erot = 1.6081156841091 | epot = -12.0776943752761 | etot = -9.13334910722217 -934000 ekin = 1.28649486980888 | erot = 1.60739378973688 | epot = -12.0272377665998 | etot = -9.13334910705402 -935000 ekin = 1.24218246522804 | erot = 1.6134791908439 | epot = -11.9890107630357 | etot = -9.13334910696378 -936000 ekin = 1.20515312894639 | erot = 1.62614770367122 | epot = -11.9646499395944 | etot = -9.13334910697676 -937000 ekin = 1.17664231212851 | erot = 1.6442958335604 | epot = -11.9542872527933 | etot = -9.13334910710437 -938000 ekin = 1.15716006416317 | erot = 1.66588444176712 | epot = -11.9563936132696 | etot = -9.13334910733934 -939000 ekin = 1.14647171706266 | erot = 1.6881032683341 | epot = -11.9679240930434 | etot = -9.13334910764666 -940000 ekin = 1.14367004076054 | erot = 1.70771457435669 | epot = -11.9847337231134 | etot = -9.13334910799618 -941000 ekin = 1.1473388455791 | erot = 1.72149292702196 | epot = -12.0021808809227 | etot = -9.13334910832164 -942000 ekin = 1.15580134675009 | erot = 1.72687300442719 | epot = -12.0160234597396 | etot = -9.13334910856235 -943000 ekin = 1.16743729508088 | erot = 1.72249936628187 | epot = -12.0232857700279 | etot = -9.13334910866513 -944000 ekin = 1.18103106469623 | erot = 1.7085871246677 | epot = -12.0229672979652 | etot = -9.13334910860128 -945000 ekin = 1.1960680444943 | erot = 1.68696892709797 | epot = -12.0163860799751 | etot = -9.13334910838281 -946000 ekin = 1.21284058105875 | erot = 1.66075870252106 | epot = -12.0069483916519 | etot = -9.13334910807212 -947000 ekin = 1.23222210569487 | erot = 1.63367011142218 | epot = -11.9992413248878 | etot = -9.13334910777077 -948000 ekin = 1.25509690713185 | erot = 1.60916358074283 | epot = -11.9976095954608 | etot = -9.13334910758613 -949000 ekin = 1.28167104219273 | erot = 1.5896908039578 | epot = -12.0047109537303 | etot = -9.13334910757972 -950000 ekin = 1.31105510037397 | erot = 1.57628415675868 | epot = -12.0206883648703 | etot = -9.13334910773768 -951000 ekin = 1.34140314928571 | erot = 1.56859135850371 | epot = -12.0433436157719 | etot = -9.13334910798252 -952000 ekin = 1.37054117669372 | erot = 1.56526000758929 | epot = -12.069150292504 | etot = -9.13334910822102 -953000 ekin = 1.39670348102587 | erot = 1.56444621741211 | epot = -12.0944988068298 | etot = -9.13334910839183 -954000 ekin = 1.41897529239146 | erot = 1.56423287012898 | epot = -12.1165572710023 | etot = -9.13334910848183 -955000 ekin = 1.43729048071804 | erot = 1.5628747995038 | epot = -12.1335143887331 | etot = -9.13334910851122 -956000 ekin = 1.45211066333914 | erot = 1.55892938544642 | epot = -12.1443891572912 | etot = -9.13334910850569 -957000 ekin = 1.46402190624319 | erot = 1.55132217592857 | epot = -12.1486931906549 | etot = -9.13334910848318 -958000 ekin = 1.47342593726502 | erot = 1.53954965708395 | epot = -12.1463247027848 | etot = -9.13334910843584 -959000 ekin = 1.48038578495474 | erot = 1.52394133598125 | epot = -12.137676229295 | etot = -9.13334910835898 -960000 ekin = 1.4846060403427 | erot = 1.50575363434298 | epot = -12.1237087829308 | etot = -9.13334910824516 -961000 ekin = 1.48549975935911 | erot = 1.48721075409997 | epot = -12.1060596215514 | etot = -9.13334910809229 -962000 ekin = 1.48229853495805 | erot = 1.47141202581677 | epot = -12.0870596686812 | etot = -9.1333491079064 -963000 ekin = 1.47417603271195 | erot = 1.46210240866553 | epot = -12.069627549079 | etot = -9.13334910770149 -964000 ekin = 1.46036644523782 | erot = 1.46332191689043 | epot = -12.0570374696247 | etot = -9.13334910749646 -965000 ekin = 1.44026662180513 | erot = 1.4789632478734 | epot = -12.052578976996 | etot = -9.13334910731744 -966000 ekin = 1.41351583398992 | erot = 1.51227943253497 | epot = -12.0591443737153 | etot = -9.13334910719041 -967000 ekin = 1.38005134110581 | erot = 1.56539665065099 | epot = -12.0787970988967 | etot = -9.13334910713991 -968000 ekin = 1.34025482723033 | erot = 1.63885686280376 | epot = -12.1124607972101 | etot = -9.13334910717598 -969000 ekin = 1.2947692198018 | erot = 1.73132793714239 | epot = -12.1594462642669 | etot = -9.13334910732274 -970000 ekin = 1.24442005391699 | erot = 1.83972520716413 | epot = -12.2174943686209 | etot = -9.13334910753978 -971000 ekin = 1.19046696426425 | erot = 1.95943091413493 | epot = -12.2832469861951 | etot = -9.13334910779591 -972000 ekin = 1.13463097113061 | erot = 2.08475088506706 | epot = -12.3527309642468 | etot = -9.13334910804911 -973000 ekin = 1.07911059567514 | erot = 2.20953944506054 | epot = -12.4219991489933 | etot = -9.13334910825765 -974000 ekin = 1.02657367041436 | erot = 2.32774347844032 | epot = -12.4876662572788 | etot = -9.13334910842407 -975000 ekin = 0.979977932768793 | erot = 2.43392801407682 | epot = -12.5472550553323 | etot = -9.13334910848667 -976000 ekin = 0.942304887102471 | erot = 2.52399013958441 | epot = -12.5996441351603 | etot = -9.13334910847343 -977000 ekin = 0.916335295709716 | erot = 2.59517570126148 | epot = -12.6448601053816 | etot = -9.13334910841042 -978000 ekin = 0.904316422895417 | erot = 2.64601698758899 | epot = -12.6836825188159 | etot = -9.13334910833152 -979000 ekin = 0.907654941512151 | erot = 2.67612704045885 | epot = -12.7171310902396 | etot = -9.13334910826861 -980000 ekin = 0.926700183438725 | erot = 2.68592744663146 | epot = -12.7459767383145 | etot = -9.13334910824436 -981000 ekin = 0.960659745241547 | erot = 2.67638285525772 | epot = -12.770391708766 | etot = -9.13334910826674 -982000 ekin = 1.00766017971382 | erot = 2.64879736698571 | epot = -12.7898066550302 | etot = -9.13334910833062 -983000 ekin = 1.06493892794389 | erot = 2.60470505313269 | epot = -12.8029930894938 | etot = -9.13334910841725 -984000 ekin = 1.12913508942468 | erot = 2.54586103452334 | epot = -12.808345232448 | etot = -9.13334910849994 -985000 ekin = 1.19663599746289 | erot = 2.47431116848726 | epot = -12.8042962744991 | etot = -9.13334910854893 -986000 ekin = 1.2639316426873 | erot = 2.39249159635318 | epot = -12.7897723475801 | etot = -9.13334910853965 -987000 ekin = 1.32792910237771 | erot = 2.30329384114304 | epot = -12.7645720519798 | etot = -9.13334910845902 -988000 ekin = 1.38618594053593 | erot = 2.2100370453855 | epot = -12.7295720942306 | etot = -9.13334910830914 -989000 ekin = 1.43703663167589 | erot = 2.11631776633422 | epot = -12.6867035061176 | etot = -9.13334910810747 -990000 ekin = 1.47960743029125 | erot = 2.02574976473974 | epot = -12.6387063029119 | etot = -9.13334910788087 -991000 ekin = 1.51373724656088 | erot = 1.94164272474697 | epot = -12.5887290789682 | etot = -9.13334910766035 -992000 ekin = 1.53983818596799 | erot = 1.86668512513884 | epot = -12.5398724185799 | etot = -9.1333491074731 -993000 ekin = 1.55873490678584 | erot = 1.80268982002861 | epot = -12.4947738341534 | etot = -9.13334910733891 -994000 ekin = 1.57151651520304 | erot = 1.7504391420354 | epot = -12.4553047645059 | etot = -9.13334910726744 -995000 ekin = 1.57942173441972 | erot = 1.70964079466343 | epot = -12.4224116363426 | etot = -9.13334910725948 -996000 ekin = 1.58376261679052 | erot = 1.67898574509867 | epot = -12.3960974691973 | etot = -9.13334910730809 -997000 ekin = 1.58587878582325 | erot = 1.65629050257133 | epot = -12.3755183957957 | etot = -9.13334910740111 -998000 ekin = 1.58710748478689 | erot = 1.63870906507373 | epot = -12.3591656573833 | etot = -9.13334910752265 -999000 ekin = 1.58875603207076 | erot = 1.62299637534363 | epot = -12.3451015150712 | etot = -9.13334910765678 -1000000 ekin = 1.59207001222984 | erot = 1.60581739803193 | epot = -12.3312365180429 | etot = -9.13334910778118 - 1000000 0.11793111 -1.2674127 0.034288999 -1.0739167 -1.3883882e-05 64000 -Loop time of 12.2549 on 4 procs for 1000000 steps with 10 atoms - -Performance: 70502.380 tau/day, 81599.976 timesteps/s -99.6% CPU use with 4 MPI tasks x no OpenMP threads - -MPI task timing breakdown: -Section | min time | avg time | max time |%varavg| %total ---------------------------------------------------------------- -Pair | 4.621 | 6.1682 | 7.6888 | 57.8 | 50.33 -Bond | 0.23368 | 0.29564 | 0.38327 | 11.2 | 2.41 -Neigh | 0.01308 | 0.013114 | 0.013149 | 0.0 | 0.11 -Comm | 1.714 | 1.885 | 2.078 | 9.8 | 15.38 -Output | 0.080169 | 0.082844 | 0.086603 | 0.8 | 0.68 -Modify | 0.53188 | 0.62981 | 0.73082 | 12.3 | 5.14 -Other | | 3.18 | | | 25.95 - -Nlocal: 2.50000 ave 4 max 1 min -Histogram: 2 0 0 0 0 0 0 0 0 2 -Nghost: 7.50000 ave 9 max 6 min -Histogram: 2 0 0 0 0 0 0 0 0 2 -Neighs: 16.7500 ave 26 max 8 min -Histogram: 2 0 0 0 0 0 0 0 0 2 - -Total # of neighbors = 67 -Ave neighs/atom = 6.7000000 -Ave special neighs/atom = 3.6000000 -Neighbor list builds = 1000 -Dangerous builds = 0 - -write_data last_config.${number}.* nocoeff -write_data last_config.1.* nocoeff -System init for write_data ... -Total wall time: 0:00:12 diff --git a/examples/PACKAGES/cgdna/examples/oxDNA/duplex1/log.2Jul21.duplex1.g++.1 b/examples/PACKAGES/cgdna/examples/oxDNA/duplex1/log.2Jul21.duplex1.g++.1 new file mode 100644 index 0000000000..f1b7eb56eb --- /dev/null +++ b/examples/PACKAGES/cgdna/examples/oxDNA/duplex1/log.2Jul21.duplex1.g++.1 @@ -0,0 +1,1171 @@ +LAMMPS (2 Jul 2021) +variable number equal 1 +variable ofreq equal 1000 +variable efreq equal 1000 +variable T equal 0.1 + +units lj + +dimension 3 + +newton on + +boundary p p p + +atom_style hybrid bond ellipsoid oxdna +WARNING: Atom style hybrid defines both, per-type and per-atom masses; both must be set, but only per-atom masses will be used (../atom_vec_hybrid.cpp:157) +atom_modify sort 0 1.0 + +# Pair interactions require lists of neighbours to be calculated +neighbor 2.0 bin +neigh_modify every 1 delay 0 check yes + +read_data data.duplex1 +Reading data file ... + orthogonal box = (-20.000000 -20.000000 -20.000000) to (20.000000 20.000000 20.000000) + 1 by 1 by 1 MPI processor grid + reading atoms ... + 10 atoms + reading velocities ... + 10 velocities + scanning bonds ... + 1 = max bonds/atom + 10 ellipsoids + reading bonds ... + 8 bonds +Finding 1-2 1-3 1-4 neighbors ... + special bond factors lj: 0 0 0 + special bond factors coul: 0 0 0 + 2 = max # of 1-2 neighbors + 2 = max # of 1-3 neighbors + 2 = max # of 1-4 neighbors + 4 = max # of special neighbors + special bonds CPU = 0.000 seconds + read_data CPU = 0.003 seconds + +set atom * mass 3.1575 +Setting atom values ... + 10 settings made for mass + +group all type 1 4 +10 atoms in group all + +# oxDNA bond interactions - FENE backbone +bond_style oxdna/fene +bond_coeff * 2.0 0.25 0.7525 +special_bonds lj 0 1 1 +Finding 1-2 1-3 1-4 neighbors ... + special bond factors lj: 0 1 1 + special bond factors coul: 0 0 0 + 2 = max # of 1-2 neighbors + 2 = max # of 1-3 neighbors + 2 = max # of 1-4 neighbors + 4 = max # of special neighbors + special bonds CPU = 0.000 seconds + +# oxDNA pair interactions +pair_style hybrid/overlay oxdna/excv oxdna/stk oxdna/hbond oxdna/xstk oxdna/coaxstk +pair_coeff * * oxdna/excv 2.0 0.7 0.675 2.0 0.515 0.5 2.0 0.33 0.32 +pair_coeff * * oxdna/stk seqav ${T} 1.3448 2.6568 6.0 0.4 0.9 0.32 0.75 1.3 0 0.8 0.9 0 0.95 0.9 0 0.95 2.0 0.65 2.0 0.65 +pair_coeff * * oxdna/stk seqav 0.1 1.3448 2.6568 6.0 0.4 0.9 0.32 0.75 1.3 0 0.8 0.9 0 0.95 0.9 0 0.95 2.0 0.65 2.0 0.65 +pair_coeff * * oxdna/hbond seqav 0.0 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 +pair_coeff 1 4 oxdna/hbond seqav 1.077 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 +pair_coeff 2 3 oxdna/hbond seqav 1.077 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 +pair_coeff * * oxdna/xstk 47.5 0.575 0.675 0.495 0.655 2.25 0.791592653589793 0.58 1.7 1.0 0.68 1.7 1.0 0.68 1.5 0 0.65 1.7 0.875 0.68 1.7 0.875 0.68 +pair_coeff * * oxdna/coaxstk 46.0 0.4 0.6 0.22 0.58 2.0 2.541592653589793 0.65 1.3 0 0.8 0.9 0 0.95 0.9 0 0.95 2.0 -0.65 2.0 -0.65 + +# NVE ensemble +fix 1 all nve/asphere +#fix 2 all langevin ${T} ${T} 2.5 457145 angmom 10 + +timestep 1e-5 + +#comm_style tiled +fix 3 all balance 1000 1.03 shift xyz 10 1.03 +comm_modify cutoff 3.8 + +compute quat all property/atom quatw quati quatj quatk + +compute erot all erotate/asphere +compute ekin all ke +compute epot all pe +variable erot equal c_erot +variable ekin equal c_ekin +variable epot equal c_epot +variable etot equal c_erot+c_ekin+c_epot +fix 5 all print ${efreq} "$(step) ekin = ${ekin} | erot = ${erot} | epot = ${epot} | etot = ${etot}" screen yes +fix 5 all print 1000 "$(step) ekin = ${ekin} | erot = ${erot} | epot = ${epot} | etot = ${etot}" screen yes + +dump out all custom ${ofreq} out.${number}.lammpstrj id mol type x y z ix iy iz vx vy vz c_quat[1] c_quat[2] c_quat[3] c_quat[4] angmomx angmomy angmomz +dump out all custom 1000 out.${number}.lammpstrj id mol type x y z ix iy iz vx vy vz c_quat[1] c_quat[2] c_quat[3] c_quat[4] angmomx angmomy angmomz +dump out all custom 1000 out.1.lammpstrj id mol type x y z ix iy iz vx vy vz c_quat[1] c_quat[2] c_quat[3] c_quat[4] angmomx angmomy angmomz +dump_modify out sort id +dump_modify out format line "%d %d %d %22.15le %22.15le %22.15le %d %d %d %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le" + +run 1000000 +Neighbor list info ... + update every 1 steps, delay 0 steps, check yes + max neighbors/atom: 2000, page size: 100000 + master list distance cutoff = 2.9560004 + ghost atom cutoff = 3.8 + binsize = 1.4780002, bins = 28 28 28 + 4 neighbor lists, perpetual/occasional/extra = 4 0 0 + (1) pair oxdna/excv, perpetual + attributes: half, newton on + pair build: half/bin/newton + stencil: half/bin/3d + bin: standard + (2) pair oxdna/hbond, perpetual, copy from (1) + attributes: half, newton on + pair build: copy + stencil: none + bin: none + (3) pair oxdna/xstk, perpetual, copy from (1) + attributes: half, newton on + pair build: copy + stencil: none + bin: none + (4) pair oxdna/coaxstk, perpetual, copy from (1) + attributes: half, newton on + pair build: copy + stencil: none + bin: none +0 ekin = 1.10853632272819 | erot = 2.81573649976629 | epot = -13.0576219534369 | etot = -9.13334913094246 +Per MPI rank memory allocation (min/avg/max) = 8.949 | 8.949 | 8.949 Mbytes +Step Temp E_pair E_mol TotEng Press Volume + 0 0.082113802 -1.3488546 0.043092397 -1.1949086 -4.6816211e-05 64000 +1000 ekin = 1.08024346604046 | erot = 2.90873406534668 | epot = -13.1223266626202 | etot = -9.13334913123308 +2000 ekin = 1.05028450914437 | erot = 2.98006324808558 | epot = -13.1636968886591 | etot = -9.13334913142915 +3000 ekin = 1.01964458529397 | erot = 3.02592193798632 | epot = -13.1789156547658 | etot = -9.13334913148547 +4000 ekin = 0.989515033089539 | erot = 3.04428486059471 | epot = -13.1671490250724 | etot = -9.13334913138813 +5000 ekin = 0.961283929687833 | erot = 3.03510855539557 | epot = -13.1297416162282 | etot = -9.13334913114481 +6000 ekin = 0.936412193404256 | erot = 3.00022299571975 | epot = -13.0699843199583 | etot = -9.13334913083425 +7000 ekin = 0.916233699107968 | erot = 2.9427713444016 | epot = -12.9923541739966 | etot = -9.13334913048708 +8000 ekin = 0.901760662506268 | erot = 2.86671228744165 | epot = -12.9018220800865 | etot = -9.13334913013859 +9000 ekin = 0.893571390067879 | erot = 2.77649686780605 | epot = -12.8034173876806 | etot = -9.13334912980667 +10000 ekin = 0.891805685056847 | erot = 2.67686855006734 | epot = -12.7020233645916 | etot = -9.13334912946739 +11000 ekin = 0.896243557993589 | erot = 2.57266042063119 | epot = -12.6022531078194 | etot = -9.13334912919467 +12000 ekin = 0.906416039154817 | erot = 2.46827537271556 | epot = -12.5080405408347 | etot = -9.13334912896436 +13000 ekin = 0.921704091778492 | erot = 2.36760645470833 | epot = -12.4226596752787 | etot = -9.1333491287919 +14000 ekin = 0.941405275130078 | erot = 2.27374941641176 | epot = -12.3485038202328 | etot = -9.13334912869101 +15000 ekin = 0.964770892951776 | erot = 2.18876720165113 | epot = -12.2868872232635 | etot = -9.13334912866063 +16000 ekin = 0.991029016801088 | erot = 2.11380018376645 | epot = -12.2381783292305 | etot = -9.13334912866292 +17000 ekin = 1.01940907375712 | erot = 2.04893605182118 | epot = -12.2016942543555 | etot = -9.13334912877719 +18000 ekin = 1.04917923728265 | erot = 1.993350175781 | epot = -12.1758785419805 | etot = -9.13334912891683 +19000 ekin = 1.07969247848165 | erot = 1.94569933362969 | epot = -12.1587409411761 | etot = -9.13334912906478 +20000 ekin = 1.11043268152286 | erot = 1.90411175657082 | epot = -12.1478935672813 | etot = -9.13334912918758 +21000 ekin = 1.14104909735583 | erot = 1.86695882979249 | epot = -12.1413570564147 | etot = -9.13334912926637 +22000 ekin = 1.17136821848099 | erot = 1.83313674901903 | epot = -12.1378540967921 | etot = -9.13334912929204 +23000 ekin = 1.20137634097693 | erot = 1.80222523558983 | epot = -12.1369507058332 | etot = -9.13334912926643 +24000 ekin = 1.231172496229 | erot = 1.77451266102193 | epot = -12.1390342864516 | etot = -9.13334912920062 +25000 ekin = 1.26089526640645 | erot = 1.75088411697597 | epot = -12.1451285124969 | etot = -9.13334912911452 +26000 ekin = 1.29063712254632 | erot = 1.73259428379508 | epot = -12.1565805353676 | etot = -9.1333491290262 +27000 ekin = 1.32035987087029 | erot = 1.72114061671176 | epot = -12.1748496165411 | etot = -9.133349128959 +28000 ekin = 1.34980460658797 | erot = 1.71795709927856 | epot = -12.2011108348018 | etot = -9.1333491289353 +29000 ekin = 1.37841624051162 | erot = 1.7241401378574 | epot = -12.2359055073442 | etot = -9.13334912897517 +30000 ekin = 1.40529015727354 | erot = 1.74019656639668 | epot = -12.2788358527639 | etot = -9.13334912909368 +31000 ekin = 1.42915801743398 | erot = 1.76583252336949 | epot = -12.3283396701001 | etot = -9.13334912929662 +32000 ekin = 1.44843712560543 | erot = 1.7998218174534 | epot = -12.381608072634 | etot = -9.13334912957516 +33000 ekin = 1.46136904668682 | erot = 1.84000474140072 | epot = -12.4347229179884 | etot = -9.13334912990089 +34000 ekin = 1.46625940785516 | erot = 1.88346459856615 | epot = -12.4830731366474 | etot = -9.13334913022613 +35000 ekin = 1.46179739484308 | erot = 1.92688889524936 | epot = -12.5220354205852 | etot = -9.13334913049271 +36000 ekin = 1.44738855724077 | erot = 1.96705754746493 | epot = -12.5477952353503 | etot = -9.13334913064463 +37000 ekin = 1.4234005446855 | erot = 2.00129614949924 | epot = -12.5580458249024 | etot = -9.13334913071767 +38000 ekin = 1.39122781542981 | erot = 2.02761655303763 | epot = -12.5521934990546 | etot = -9.13334913058721 +39000 ekin = 1.35313842096817 | erot = 2.04547852103601 | epot = -12.5319660723436 | etot = -9.13334913033938 +40000 ekin = 1.31193587699363 | erot = 2.05554364627558 | epot = -12.5008286533155 | etot = -9.13334913004627 +41000 ekin = 1.27054093924544 | erot = 2.05894429581371 | epot = -12.4628343648332 | etot = -9.13334912977403 +42000 ekin = 1.23161000992328 | erot = 2.05694893255707 | epot = -12.4219080720069 | etot = -9.1333491295265 +43000 ekin = 1.19723969759494 | erot = 2.05085758075658 | epot = -12.3814464076995 | etot = -9.13334912934802 +44000 ekin = 1.16880185863999 | erot = 2.04172238360627 | epot = -12.3438733714904 | etot = -9.13334912924412 +45000 ekin = 1.1469078717572 | erot = 2.03029950061773 | epot = -12.3105565015799 | etot = -9.13334912920493 +46000 ekin = 1.13147919636052 | erot = 2.01712256175374 | epot = -12.2819508873243 | etot = -9.13334912921 +47000 ekin = 1.12189300492722 | erot = 2.00264798837256 | epot = -12.2578901225351 | etot = -9.13334912923528 +48000 ekin = 1.11716788112728 | erot = 1.98739120721192 | epot = -12.2379082176346 | etot = -9.13334912929539 +49000 ekin = 1.1161579479525 | erot = 1.97187368108372 | epot = -12.2213807583349 | etot = -9.13334912929866 +50000 ekin = 1.11772326336401 | erot = 1.95708534394624 | epot = -12.2081577365825 | etot = -9.13334912927229 +51000 ekin = 1.12084924497878 | erot = 1.94437394210215 | epot = -12.1985723162997 | etot = -9.13334912921873 +52000 ekin = 1.12470549785255 | erot = 1.93529800314867 | epot = -12.1933526301509 | etot = -9.13334912914966 +53000 ekin = 1.12864556674979 | erot = 1.93145365271657 | epot = -12.1934483485496 | etot = -9.13334912908328 +54000 ekin = 1.1321611352309 | erot = 1.93430274875498 | epot = -12.199813013012 | etot = -9.13334912902616 +55000 ekin = 1.13481106600236 | erot = 1.94490436967234 | epot = -12.2130645647021 | etot = -9.13334912902736 +56000 ekin = 1.13614343535817 | erot = 1.96361884590778 | epot = -12.233111410353 | etot = -9.13334912908703 +57000 ekin = 1.13563178311283 | erot = 1.99002978527236 | epot = -12.2590106975984 | etot = -9.13334912921322 +58000 ekin = 1.13263976908247 | erot = 2.02286978616487 | epot = -12.2888586846524 | etot = -9.1333491294051 +59000 ekin = 1.12642426113435 | erot = 2.06004413441698 | epot = -12.3198175252027 | etot = -9.13334912965138 +60000 ekin = 1.11618536041537 | erot = 2.09876774945535 | epot = -12.3483022398003 | etot = -9.13334912992962 +61000 ekin = 1.10116810417871 | erot = 2.13581434618259 | epot = -12.3703315805682 | etot = -9.1333491302069 +62000 ekin = 1.08081637521808 | erot = 2.16786879318293 | epot = -12.3820342988431 | etot = -9.13334913044213 +63000 ekin = 1.05497014428156 | erot = 2.19194503254429 | epot = -12.3802643074575 | etot = -9.13334913063163 +64000 ekin = 1.02408601603164 | erot = 2.20562384873125 | epot = -12.3630589954179 | etot = -9.13334913065498 +65000 ekin = 0.98943441580777 | erot = 2.20769180278656 | epot = -12.330475349125 | etot = -9.13334913053072 +66000 ekin = 0.953195593563924 | erot = 2.19842250482629 | epot = -12.2849672286538 | etot = -9.13334913026361 +67000 ekin = 0.918366365968288 | erot = 2.17942400884185 | epot = -12.2311395047048 | etot = -9.13334912989465 +68000 ekin = 0.888467814666294 | erot = 2.15321364358206 | epot = -12.1750305877201 | etot = -9.13334912947173 +69000 ekin = 0.867150037001647 | erot = 2.1228863370438 | epot = -12.1233855031208 | etot = -9.13334912907536 +70000 ekin = 0.857579951604761 | erot = 2.09151913845159 | epot = -12.0824482188431 | etot = -9.13334912878671 +71000 ekin = 0.861815425267466 | erot = 2.06157004239568 | epot = -12.0567345963619 | etot = -9.13334912869875 +72000 ekin = 0.88019181568545 | erot = 2.03435275439371 | epot = -12.0478936988732 | etot = -9.13334912879399 +73000 ekin = 0.911201453876652 | erot = 2.00982694750408 | epot = -12.0543775304379 | etot = -9.13334912905718 +74000 ekin = 0.951849895585105 | erot = 1.98685418272633 | epot = -12.0720532077345 | etot = -9.1333491294231 +75000 ekin = 0.998151008641228 | erot = 1.96362530027612 | epot = -12.0951254387264 | etot = -9.13334912980904 +76000 ekin = 1.04581734271593 | erot = 1.93821700241365 | epot = -12.117383475267 | etot = -9.13334913013739 +77000 ekin = 1.09091996835707 | erot = 1.90910715282296 | epot = -12.1333762515352 | etot = -9.13334913035515 +78000 ekin = 1.13037631927924 | erot = 1.87551578135396 | epot = -12.139241231075 | etot = -9.13334913044181 +79000 ekin = 1.16219588597792 | erot = 1.83750580183272 | epot = -12.1330508182183 | etot = -9.13334913040767 +80000 ekin = 1.1854897263224 | erot = 1.79585942670001 | epot = -12.1146982833062 | etot = -9.13334913028383 +81000 ekin = 1.20030605718963 | erot = 1.75181365939761 | epot = -12.0854688466956 | etot = -9.13334913010839 +82000 ekin = 1.20737786492204 | erot = 1.70676694760234 | epot = -12.047493942439 | etot = -9.13334912991461 +83000 ekin = 1.2078605140208 | erot = 1.66205278152646 | epot = -12.0032624252717 | etot = -9.13334912972448 +84000 ekin = 1.20310991572484 | erot = 1.61882913247335 | epot = -11.9552881777461 | etot = -9.13334912954791 +85000 ekin = 1.19452073297172 | erot = 1.57808043002433 | epot = -11.9059502923819 | etot = -9.13334912938589 +86000 ekin = 1.18342100682564 | erot = 1.5406926889625 | epot = -11.8574628250235 | etot = -9.13334912923537 +87000 ekin = 1.1710085895735 | erot = 1.50755090689531 | epot = -11.8119086255617 | etot = -9.13334912909291 +88000 ekin = 1.15831377551687 | erot = 1.47961680456731 | epot = -11.7712797090417 | etot = -9.13334912895749 +89000 ekin = 1.14617682817404 | erot = 1.45796378128901 | epot = -11.7374897382937 | etot = -9.13334912883065 +90000 ekin = 1.13523447969425 | erot = 1.44376438030032 | epot = -11.7123479887108 | etot = -9.13334912871622 +91000 ekin = 1.12591345720554 | erot = 1.43823772500951 | epot = -11.6975003108346 | etot = -9.13334912861951 +92000 ekin = 1.1184309948929 | erot = 1.44256930748519 | epot = -11.6943494309244 | etot = -9.13334912854634 +93000 ekin = 1.1128032963482 | erot = 1.45781524814484 | epot = -11.7039676729951 | etot = -9.13334912850205 +94000 ekin = 1.10886209127345 | erot = 1.48480045701872 | epot = -11.7270116767841 | etot = -9.13334912849191 +95000 ekin = 1.10627886010346 | erot = 1.52396220647538 | epot = -11.7635901951104 | etot = -9.13334912853156 +96000 ekin = 1.10459509814429 | erot = 1.57519859223418 | epot = -11.8131428189842 | etot = -9.13334912860576 +97000 ekin = 1.10325943769911 | erot = 1.63800664193794 | epot = -11.8746152083615 | etot = -9.13334912872444 +98000 ekin = 1.10166959581651 | erot = 1.71130689804963 | epot = -11.9463256227536 | etot = -9.13334912888747 +99000 ekin = 1.09921849385167 | erot = 1.79339905630353 | epot = -12.0259666792468 | etot = -9.13334912909161 +100000 ekin = 1.0953459688011 | erot = 1.88196872528563 | epot = -12.1106638234158 | etot = -9.1333491293291 +101000 ekin = 1.08959720755121 | erot = 1.97415616931445 | epot = -12.1971025064517 | etot = -9.13334912958605 +102000 ekin = 1.08168751154818 | erot = 2.0667028218517 | epot = -12.2817394632422 | etot = -9.13334912984234 +103000 ekin = 1.07156932342316 | erot = 2.15618192508056 | epot = -12.3611003785769 | etot = -9.13334913007318 +104000 ekin = 1.05949237996073 | erot = 2.23930158373562 | epot = -12.4321430939482 | etot = -9.13334913025183 +105000 ekin = 1.04604342224878 | erot = 2.31323902285843 | epot = -12.4926315754928 | etot = -9.13334913038555 +106000 ekin = 1.0322431631856 | erot = 2.37579242095981 | epot = -12.541384714564 | etot = -9.13334913041858 +107000 ekin = 1.01951120148932 | erot = 2.42585603740565 | epot = -12.57871636928 | etot = -9.133349130385 +108000 ekin = 1.00875017477207 | erot = 2.46348952984492 | epot = -12.6055888348732 | etot = -9.13334913025623 +109000 ekin = 1.00109573552394 | erot = 2.48980806114969 | epot = -12.6242529267276 | etot = -9.13334913005395 +110000 ekin = 0.997931591358091 | erot = 2.50673918610801 | epot = -12.6380199072772 | etot = -9.13334912981112 +111000 ekin = 1.00076792351317 | erot = 2.51665915373046 | epot = -12.6507762068073 | etot = -9.13334912956366 +112000 ekin = 1.01109610479922 | erot = 2.5220070159966 | epot = -12.6664522501388 | etot = -9.13334912934299 +113000 ekin = 1.03019016817879 | erot = 2.52496101252896 | epot = -12.688500309986 | etot = -9.13334912927824 +114000 ekin = 1.05821017520623 | erot = 2.52722573627529 | epot = -12.7187850407015 | etot = -9.13334912921997 +115000 ekin = 1.0947253040014 | erot = 2.53003930448843 | epot = -12.7581137377192 | etot = -9.13334912922939 +116000 ekin = 1.13884650903332 | erot = 2.53414832430464 | epot = -12.8063439626439 | etot = -9.1333491293059 +117000 ekin = 1.18909444999485 | erot = 2.5398083927715 | epot = -12.862251972215 | etot = -9.13334912944861 +118000 ekin = 1.24341490970477 | erot = 2.54678348242654 | epot = -12.9235475217869 | etot = -9.13334912965561 +119000 ekin = 1.29923662064195 | erot = 2.55432909401028 | epot = -12.9869148445731 | etot = -9.13334912992089 +120000 ekin = 1.35358959215651 | erot = 2.56118615921813 | epot = -13.0481248816038 | etot = -9.13334913022921 +121000 ekin = 1.40329803815456 | erot = 2.56563135861672 | epot = -13.1022785273256 | etot = -9.13334913055428 +122000 ekin = 1.44524692196618 | erot = 2.56562448409235 | epot = -13.1442205369174 | etot = -9.13334913085884 +123000 ekin = 1.47669540804833 | erot = 2.55906317998209 | epot = -13.169107719131 | etot = -9.1333491311006 +124000 ekin = 1.49558302658162 | erot = 2.54411105943722 | epot = -13.1730432172611 | etot = -9.13334913124229 +125000 ekin = 1.50076122489739 | erot = 2.51952798471306 | epot = -13.1536383408712 | etot = -9.13334913126069 +126000 ekin = 1.49214728684713 | erot = 2.48515933103515 | epot = -13.1106557490372 | etot = -9.13334913115489 +127000 ekin = 1.47053410713955 | erot = 2.44174480075122 | epot = -13.0456280388473 | etot = -9.13334913095656 +128000 ekin = 1.43743445323503 | erot = 2.39059049317544 | epot = -12.9613740770757 | etot = -9.1333491306652 +129000 ekin = 1.39501109707052 | erot = 2.33380120125816 | epot = -12.8621614286433 | etot = -9.13334913031463 +130000 ekin = 1.34584042016751 | erot = 2.27401545397174 | epot = -12.7532050040791 | etot = -9.13334912993981 +131000 ekin = 1.2926893078659 | erot = 2.21410134111222 | epot = -12.6401397785506 | etot = -9.13334912957246 +132000 ekin = 1.23832315616825 | erot = 2.15686384200884 | epot = -12.5285361274152 | etot = -9.13334912923814 +133000 ekin = 1.18535267681203 | erot = 2.10479906741759 | epot = -12.4235008731851 | etot = -9.13334912895549 +134000 ekin = 1.13612155562822 | erot = 2.05991346428629 | epot = -12.3293841486504 | etot = -9.13334912873585 +135000 ekin = 1.09263262326065 | erot = 2.02360952444368 | epot = -12.2495912762904 | etot = -9.13334912858607 +136000 ekin = 1.05650575788363 | erot = 1.99662030668686 | epot = -12.186475193078 | etot = -9.13334912850755 +137000 ekin = 1.02895878679475 | erot = 1.9789921283489 | epot = -12.1413000436433 | etot = -9.13334912849969 +138000 ekin = 1.01080388995867 | erot = 1.97013512172238 | epot = -12.1142881402333 | etot = -9.13334912855223 +139000 ekin = 1.00245459395367 | erot = 1.96888144460881 | epot = -12.1046851672403 | etot = -9.13334912867788 +140000 ekin = 1.0039378074064 | erot = 1.97333010973459 | epot = -12.1106170460028 | etot = -9.13334912886182 +141000 ekin = 1.01490973367055 | erot = 1.98104530944802 | epot = -12.1293041722137 | etot = -9.13334912909515 +142000 ekin = 1.03468044934439 | erot = 1.98917872502442 | epot = -12.1572083037337 | etot = -9.13334912936491 +143000 ekin = 1.06225104646196 | erot = 1.99463134790795 | epot = -12.1902315240232 | etot = -9.13334912965333 +144000 ekin = 1.09636709127271 | erot = 1.99441220318412 | epot = -12.2241284243805 | etot = -9.13334912992366 +145000 ekin = 1.13559045362142 | erot = 1.98572590466024 | epot = -12.2546654884644 | etot = -9.13334913018269 +146000 ekin = 1.17838854122111 | erot = 1.96612892354277 | epot = -12.2778665951536 | etot = -9.13334913038972 +147000 ekin = 1.22300699749199 | erot = 1.93405129395 | epot = -12.290407421963 | etot = -9.13334913052099 +148000 ekin = 1.26785677863037 | erot = 1.88891621350868 | epot = -12.2901221226998 | etot = -9.13334913056074 +149000 ekin = 1.31170551487317 | erot = 1.83123494690896 | epot = -12.2762895922885 | etot = -9.13334913050637 +150000 ekin = 1.35361858091215 | erot = 1.76263607509638 | epot = -12.2496037863728 | etot = -9.13334913036431 +151000 ekin = 1.39299848911443 | erot = 1.68572491420634 | epot = -12.2120725334744 | etot = -9.13334913015361 +152000 ekin = 1.42958376961924 | erot = 1.6038154911236 | epot = -12.1667483906421 | etot = -9.13334912989928 +153000 ekin = 1.46340801747604 | erot = 1.52060159601932 | epot = -12.1173587431247 | etot = -9.1333491296293 +154000 ekin = 1.4947265022457 | erot = 1.43981503875287 | epot = -12.0678906703689 | etot = -9.13334912937036 +155000 ekin = 1.52392161825086 | erot = 1.36491657683224 | epot = -12.0221873242285 | etot = -9.13334912914535 +156000 ekin = 1.55140022159559 | erot = 1.29884972381829 | epot = -11.9835990743856 | etot = -9.13334912897169 +157000 ekin = 1.57749707056588 | erot = 1.24387068637228 | epot = -11.9547168857973 | etot = -9.13334912885916 +158000 ekin = 1.60239506185781 | erot = 1.20145363967816 | epot = -11.9371978303524 | etot = -9.13334912881648 +159000 ekin = 1.62604462003781 | erot = 1.17226436760497 | epot = -11.9316581164848 | etot = -9.13334912884202 +160000 ekin = 1.64813303486538 | erot = 1.15619534708312 | epot = -11.9376775108798 | etot = -9.13334912893126 +161000 ekin = 1.66807327612968 | erot = 1.15245312716186 | epot = -11.9538755323659 | etot = -9.13334912907436 +162000 ekin = 1.68501875283042 | erot = 1.15969471512798 | epot = -11.9780625972157 | etot = -9.13334912925727 +163000 ekin = 1.69790620824657 | erot = 1.17620989126095 | epot = -12.0074652289689 | etot = -9.13334912946134 +164000 ekin = 1.70552711798374 | erot = 1.20014309389817 | epot = -12.0390193415462 | etot = -9.13334912966433 +165000 ekin = 1.70662691809323 | erot = 1.22974121417707 | epot = -12.0697172621122 | etot = -9.13334912984189 +166000 ekin = 1.7000290802682 | erot = 1.26360423252395 | epot = -12.0969824427627 | etot = -9.13334912997052 +167000 ekin = 1.68477683955852 | erot = 1.30090518403747 | epot = -12.1190311536261 | etot = -9.13334913003012 +168000 ekin = 1.66027923283154 | erot = 1.34154370359055 | epot = -12.1351720664303 | etot = -9.1333491300082 +169000 ekin = 1.62644124957696 | erot = 1.38619810991375 | epot = -12.1459884893935 | etot = -9.13334912990279 +170000 ekin = 1.58375251890744 | erot = 1.43625221626168 | epot = -12.1533538648942 | etot = -9.1333491297251 +171000 ekin = 1.53331003043897 | erot = 1.49359459893384 | epot = -12.1602537588716 | etot = -9.13334912949884 +172000 ekin = 1.47676106161375 | erot = 1.56031583407018 | epot = -12.1704260249395 | etot = -9.13334912925553 +173000 ekin = 1.41695754705502 | erot = 1.63848249765388 | epot = -12.188789173044 | etot = -9.13334912833507 +174000 ekin = 1.3593768430446 | erot = 1.72968793645215 | epot = -12.2224139078247 | etot = -9.13334912832798 +175000 ekin = 1.30537540818791 | erot = 1.83369980102237 | epot = -12.2724243375748 | etot = -9.13334912836452 +176000 ekin = 1.25571357800286 | erot = 1.94952726339924 | epot = -12.3385899698484 | etot = -9.1333491284463 +177000 ekin = 1.21104692225297 | erot = 2.07558802224364 | epot = -12.4199840730635 | etot = -9.13334912856687 +178000 ekin = 1.17189512057024 | erot = 2.20976079574621 | epot = -12.5150050450635 | etot = -9.13334912874708 +179000 ekin = 1.13864315857362 | erot = 2.34949890132868 | epot = -12.621491188811 | etot = -9.13334912890871 +180000 ekin = 1.11156621835588 | erot = 2.49234008539985 | epot = -12.7372554328242 | etot = -9.13334912906844 +181000 ekin = 1.09087167613582 | erot = 2.6356735753612 | epot = -12.8598943807494 | etot = -9.13334912925239 +182000 ekin = 1.07675226579839 | erot = 2.77693577183312 | epot = -12.9870371670189 | etot = -9.13334912938736 +183000 ekin = 1.06942294234152 | erot = 2.91405263083421 | epot = -13.1168247026758 | etot = -9.13334912950012 +184000 ekin = 1.0691348870584 | erot = 3.04520163111638 | epot = -13.2476856477697 | etot = -9.13334912959496 +185000 ekin = 1.07614345922793 | erot = 3.16875772929902 | epot = -13.3782503182121 | etot = -9.13334912968517 +186000 ekin = 1.09060563376754 | erot = 3.28317984154833 | epot = -13.5071346051098 | etot = -9.13334912979394 +187000 ekin = 1.11239929858154 | erot = 3.38683780589066 | epot = -13.632586234424 | etot = -9.13334912995184 +188000 ekin = 1.14088837562648 | erot = 3.47780595660491 | epot = -13.7520434624193 | etot = -9.1333491301879 +189000 ekin = 1.17469755695855 | erot = 3.55369218298227 | epot = -13.8617388704565 | etot = -9.13334913051572 +190000 ekin = 1.21158961983346 | erot = 3.61161008256054 | epot = -13.9565488333127 | etot = -9.13334913091872 +191000 ekin = 1.24837558083735 | erot = 3.6478034512754 | epot = -14.0295281634881 | etot = -9.13334913137538 +192000 ekin = 1.2810231168297 | erot = 3.65810395428983 | epot = -14.0724762027871 | etot = -9.13334913166757 +193000 ekin = 1.30598320816993 | erot = 3.64139295006491 | epot = -14.0807252900249 | etot = -9.13334913179008 +194000 ekin = 1.32049648836639 | erot = 3.59844552363037 | epot = -14.0522911436922 | etot = -9.13334913169541 +195000 ekin = 1.32298604774295 | erot = 3.53212928134953 | epot = -13.9884644604292 | etot = -9.13334913133677 +196000 ekin = 1.31323645162593 | erot = 3.44751612705315 | epot = -13.8941017095234 | etot = -9.13334913084434 +197000 ekin = 1.2922893469817 | erot = 3.35072340322508 | epot = -13.776361880499 | etot = -9.13334913029222 +198000 ekin = 1.26212633786657 | erot = 3.24789114382005 | epot = -13.6433666114232 | etot = -9.13334912973654 +199000 ekin = 1.22527047461741 | erot = 3.14483705467218 | epot = -13.5034566585632 | etot = -9.13334912927362 +200000 ekin = 1.1844179920726 | erot = 3.04594245963003 | epot = -13.3637095806218 | etot = -9.13334912891917 +201000 ekin = 1.14216630511967 | erot = 2.95390025492359 | epot = -13.2294156887272 | etot = -9.13334912868389 +202000 ekin = 1.10084220211764 | erot = 2.86987712396347 | epot = -13.1040684546434 | etot = -9.13334912856225 +203000 ekin = 1.06240856569029 | erot = 2.7936606722683 | epot = -12.9894183664997 | etot = -9.13334912854108 +204000 ekin = 1.02841768821234 | erot = 2.72389144275509 | epot = -12.8856582595718 | etot = -9.13334912860439 +205000 ekin = 0.999988405220884 | erot = 2.65832732458315 | epot = -12.7916648585388 | etot = -9.13334912873479 +206000 ekin = 0.977799621225236 | erot = 2.59412391514193 | epot = -12.7052726652797 | etot = -9.13334912891252 +207000 ekin = 0.962105653965488 | erot = 2.52813792126126 | epot = -12.6235927043397 | etot = -9.13334912911293 +208000 ekin = 0.952783648018927 | erot = 2.45726642892325 | epot = -12.5433992062486 | etot = -9.13334912930642 +209000 ekin = 0.949416945748607 | erot = 2.37882137049742 | epot = -12.4615874457066 | etot = -9.1333491294606 +210000 ekin = 0.95140226321529 | erot = 2.29090939419253 | epot = -12.3756607869544 | etot = -9.13334912954655 +211000 ekin = 0.958051952077684 | erot = 2.19275562021927 | epot = -12.2841567018439 | etot = -9.13334912954696 +212000 ekin = 0.968659667700569 | erot = 2.08489619855882 | epot = -12.18690499572 | etot = -9.1333491294606 +213000 ekin = 0.982515908120069 | erot = 1.96918422281071 | epot = -12.0850492602328 | etot = -9.133349129302 +214000 ekin = 0.998888701919883 | erot = 1.84860041862004 | epot = -11.9808382496359 | etot = -9.13334912909602 +215000 ekin = 1.01700134912583 | erot = 1.72690897492257 | epot = -11.8772594529197 | etot = -9.13334912887129 +216000 ekin = 1.03603050122469 | erot = 1.60822693577908 | epot = -11.777606565659 | etot = -9.13334912865519 +217000 ekin = 1.05512477228488 | erot = 1.49657917533874 | epot = -11.6850530760954 | etot = -9.1333491284718 +218000 ekin = 1.07342860744204 | erot = 1.3955009267025 | epot = -11.602278662484 | etot = -9.13334912833946 +219000 ekin = 1.09009860355596 | erot = 1.30773521951615 | epot = -11.5311829513412 | etot = -9.1333491282691 +220000 ekin = 1.10431207607371 | erot = 1.23505496062935 | epot = -11.472716164966 | etot = -9.13334912826293 +221000 ekin = 1.11527717993067 | erot = 1.17821867809287 | epot = -11.426844986338 | etot = -9.13334912831448 +222000 ekin = 1.12225437592992 | erot = 1.1370482394417 | epot = -11.3926517437816 | etot = -9.13334912841001 +223000 ekin = 1.12459297621428 | erot = 1.11060060825122 | epot = -11.3685427129972 | etot = -9.13334912853172 +224000 ekin = 1.12177911879631 | erot = 1.09739625543932 | epot = -11.3525245028961 | etot = -9.13334912866044 +225000 ekin = 1.11348637905767 | erot = 1.09566402531935 | epot = -11.3424995331558 | etot = -9.13334912877875 +226000 ekin = 1.09961800000716 | erot = 1.10360909760944 | epot = -11.336576226485 | etot = -9.13334912886841 +227000 ekin = 1.08033165066228 | erot = 1.11952730043406 | epot = -11.3332080800317 | etot = -9.13334912893538 +228000 ekin = 1.0560460287279 | erot = 1.1418786542186 | epot = -11.3312738119169 | etot = -9.13334912897037 +229000 ekin = 1.02742418663516 | erot = 1.16938489301675 | epot = -11.3301582086283 | etot = -9.1333491289764 +230000 ekin = 0.995339184991672 | erot = 1.20102048198615 | epot = -11.3297087959367 | etot = -9.13334912895884 +231000 ekin = 0.960829492708774 | erot = 1.23597735762306 | epot = -11.3301559792542 | etot = -9.13334912892236 +232000 ekin = 0.925050432735309 | erot = 1.27360958612391 | epot = -11.3320091477352 | etot = -9.133349128876 +233000 ekin = 0.889225435959791 | erot = 1.3133791021064 | epot = -11.3359536668891 | etot = -9.13334912882295 +234000 ekin = 0.854600006628736 | erot = 1.35483402381932 | epot = -11.3427831592147 | etot = -9.1333491287666 +235000 ekin = 0.822390924845177 | erot = 1.3975743001585 | epot = -11.3533143537192 | etot = -9.13334912871557 +236000 ekin = 0.79373284871178 | erot = 1.44121433399083 | epot = -11.3682963113762 | etot = -9.13334912867361 +237000 ekin = 0.769632191219341 | erot = 1.48535644446082 | epot = -11.3883377643263 | etot = -9.13334912864614 +238000 ekin = 0.750918993365902 | erot = 1.52956143549227 | epot = -11.4138295574956 | etot = -9.1333491286374 +239000 ekin = 0.738206267497023 | erot = 1.57333361162164 | epot = -11.4448890077676 | etot = -9.13334912864891 +240000 ekin = 0.731862193743802 | erot = 1.61613149974237 | epot = -11.4813428221653 | etot = -9.13334912867911 +241000 ekin = 0.731999328001815 | erot = 1.65741090456868 | epot = -11.5227593612932 | etot = -9.1333491287227 +242000 ekin = 0.738482620157072 | erot = 1.69669130986314 | epot = -11.5685230587939 | etot = -9.13334912877369 +243000 ekin = 0.75095504232512 | erot = 1.73364929482327 | epot = -11.617953465968 | etot = -9.1333491288196 +244000 ekin = 0.768877080466331 | erot = 1.76822360275621 | epot = -11.6704498120767 | etot = -9.13334912885412 +245000 ekin = 0.791573929294351 | erot = 1.80068045121317 | epot = -11.7256035093789 | etot = -9.13334912887142 +246000 ekin = 0.818282914271264 | erot = 1.83164107445174 | epot = -11.7832731175936 | etot = -9.13334912887061 +247000 ekin = 0.848193621601397 | erot = 1.86205096555236 | epot = -11.8435937160096 | etot = -9.13334912885583 +248000 ekin = 0.880474358635198 | erot = 1.89308546777783 | epot = -11.9069089552495 | etot = -9.13334912883646 +249000 ekin = 0.914280881218976 | erot = 1.92599713223874 | epot = -11.9736271422836 | etot = -9.13334912882589 +250000 ekin = 0.948746730716201 | erot = 1.96192054843714 | epot = -12.0440164079935 | etot = -9.13334912884016 +251000 ekin = 0.982959063854084 | erot = 2.00165977259887 | epot = -12.1179679653479 | etot = -9.13334912889495 +252000 ekin = 1.01592948249831 | erot = 2.0454925239635 | epot = -12.1947711354629 | etot = -9.13334912900106 +253000 ekin = 1.04657777483961 | erot = 2.09303441305945 | epot = -12.2729613170589 | etot = -9.13334912915988 +254000 ekin = 1.07373541755056 | erot = 2.14319803018433 | epot = -12.350282577098 | etot = -9.13334912936307 +255000 ekin = 1.0962016316301 | erot = 2.19430966720531 | epot = -12.4238604284171 | etot = -9.13334912958168 +256000 ekin = 1.11287206428135 | erot = 2.24438579427423 | epot = -12.4906069883384 | etot = -9.13334912978286 +257000 ekin = 1.12287782510614 | erot = 2.29146665865398 | epot = -12.5476936136917 | etot = -9.13334912993153 +258000 ekin = 1.12572293500256 | erot = 2.33396623628263 | epot = -12.5930383012893 | etot = -9.13334913000415 +259000 ekin = 1.12139026023636 | erot = 2.37095948468546 | epot = -12.6256988749107 | etot = -9.1333491299889 +260000 ekin = 1.11036122819321 | erot = 2.40229658115387 | epot = -12.6460069392473 | etot = -9.13334912990019 +261000 ekin = 1.09354805445073 | erot = 2.42847877902924 | epot = -12.6553759632423 | etot = -9.13334912976234 +262000 ekin = 1.07216031825785 | erot = 2.45046938603033 | epot = -12.6559788338922 | etot = -9.13334912960407 +263000 ekin = 1.04754368718294 | erot = 2.46943297797202 | epot = -12.6503257946118 | etot = -9.13334912945686 +264000 ekin = 1.02102495133829 | erot = 2.48647844637155 | epot = -12.6408525270502 | etot = -9.13334912934033 +265000 ekin = 0.993788783443617 | erot = 2.50247063136407 | epot = -12.6296085440767 | etot = -9.13334912926897 +266000 ekin = 0.966800247929904 | erot = 2.51790683905028 | epot = -12.6180562162301 | etot = -9.1333491292499 +267000 ekin = 0.940784249459205 | erot = 2.53283827184828 | epot = -12.6069716505894 | etot = -9.13334912928191 +268000 ekin = 0.916272152394379 | erot = 2.54684612152521 | epot = -12.5964674032729 | etot = -9.13334912935328 +269000 ekin = 0.893722172477211 | erot = 2.55907244306967 | epot = -12.5861437450344 | etot = -9.13334912948749 +270000 ekin = 0.873709285128844 | erot = 2.56799722891236 | epot = -12.5750556436016 | etot = -9.13334912956044 +271000 ekin = 0.857156433251437 | erot = 2.57226369508371 | epot = -12.5627692579078 | etot = -9.13334912957266 +272000 ekin = 0.845541083723894 | erot = 2.57096110909472 | epot = -12.5498513223268 | etot = -9.13334912950816 +273000 ekin = 0.840983736969615 | erot = 2.56364270819397 | epot = -12.5379755745176 | etot = -9.13334912935404 +274000 ekin = 0.846103061110367 | erot = 2.5505449718361 | epot = -12.5299971620896 | etot = -9.13334912914317 +275000 ekin = 0.863570741244853 | erot = 2.53260377851069 | epot = -12.5295236486814 | etot = -9.13334912892586 +276000 ekin = 0.895419299415193 | erot = 2.51114645014795 | epot = -12.5399148783707 | etot = -9.13334912880754 +277000 ekin = 0.942302359418757 | erot = 2.48734970425704 | epot = -12.5630011925124 | etot = -9.13334912883659 +278000 ekin = 1.00299069941587 | erot = 2.46199112036433 | epot = -12.59833094881 | etot = -9.13334912902983 +279000 ekin = 1.0743456158926 | erot = 2.43529774590789 | epot = -12.64299249114 | etot = -9.13334912933949 +280000 ekin = 1.15182340984036 | erot = 2.40711596365541 | epot = -12.6922885031804 | etot = -9.1333491296846 +281000 ekin = 1.23030856581827 | erot = 2.37726964751254 | epot = -12.7409273433239 | etot = -9.13334912999313 +282000 ekin = 1.30483974879784 | erot = 2.34551973870787 | epot = -12.7837086176988 | etot = -9.13334913019314 +283000 ekin = 1.37151257999461 | erot = 2.3123145281989 | epot = -12.8171762384382 | etot = -9.13334913024467 +284000 ekin = 1.42789685319406 | erot = 2.27901843146204 | epot = -12.8402644148116 | etot = -9.13334913015548 +285000 ekin = 1.47299679574489 | erot = 2.24762833985815 | epot = -12.8539742655639 | etot = -9.13334912996081 +286000 ekin = 1.50701906587725 | erot = 2.22050056283323 | epot = -12.8608687584215 | etot = -9.13334912971103 +287000 ekin = 1.53099472144792 | erot = 2.19999584806494 | epot = -12.8643396989721 | etot = -9.13334912945926 +288000 ekin = 1.54636449768904 | erot = 2.18811490987488 | epot = -12.8678285368149 | etot = -9.13334912925098 +289000 ekin = 1.55461163491235 | erot = 2.18618804174345 | epot = -12.8741488057735 | etot = -9.1333491291177 +290000 ekin = 1.55699428674705 | erot = 2.19466879450583 | epot = -12.8850122103268 | etot = -9.1333491290739 +291000 ekin = 1.55439775255683 | erot = 2.21306131817971 | epot = -12.9008081998535 | etot = -9.13334912911697 +292000 ekin = 1.54729960240299 | erot = 2.23998314421967 | epot = -12.920631875854 | etot = -9.13334912923138 +293000 ekin = 1.53582108608446 | erot = 2.27333490842355 | epot = -12.9425051239026 | etot = -9.13334912939456 +294000 ekin = 1.51982864506222 | erot = 2.31049721096849 | epot = -12.9636749856262 | etot = -9.13334912959544 +295000 ekin = 1.4990515421338 | erot = 2.34851873983922 | epot = -12.9809194117666 | etot = -9.13334912979358 +296000 ekin = 1.47319364802853 | erot = 2.38443281021056 | epot = -12.990975588222 | etot = -9.13334912998291 +297000 ekin = 1.44203124546029 | erot = 2.4153685458993 | epot = -12.9907489215098 | etot = -9.13334913015026 +298000 ekin = 1.40549976702145 | erot = 2.43867409046083 | epot = -12.9775229877652 | etot = -9.1333491302829 +299000 ekin = 1.36377241662857 | erot = 2.45204871800437 | epot = -12.9491702650002 | etot = -9.13334913036728 +300000 ekin = 1.31732711912207 | erot = 2.45368408092568 | epot = -12.9043603304389 | etot = -9.13334913039114 +301000 ekin = 1.26699022414763 | erot = 2.44240353914598 | epot = -12.84274289364 | etot = -9.13334913034639 +302000 ekin = 1.21394210637195 | erot = 2.41777278592971 | epot = -12.7650640225334 | etot = -9.13334913023172 +303000 ekin = 1.15967414429362 | erot = 2.38015189683675 | epot = -12.6731751711848 | etot = -9.13334913005445 +304000 ekin = 1.10589726251318 | erot = 2.33066939618194 | epot = -12.5699157885246 | etot = -9.13334912982947 +305000 ekin = 1.05441504199278 | erot = 2.27111808933748 | epot = -12.4588822609066 | etot = -9.13334912957634 +306000 ekin = 1.00698421397165 | erot = 2.20379218514104 | epot = -12.3441255284279 | etot = -9.13334912931524 +307000 ekin = 0.965188337627694 | erot = 2.1312976438547 | epot = -12.2298351105458 | etot = -9.13334912906342 +308000 ekin = 0.930345631944623 | erot = 2.05636814615639 | epot = -12.120062906934 | etot = -9.13334912883299 +309000 ekin = 0.903461768093111 | erot = 1.98167791132949 | epot = -12.0184888080552 | etot = -9.13334912863261 +310000 ekin = 0.885228515008148 | erot = 1.90967870211655 | epot = -11.9282563455897 | etot = -9.13334912846497 +311000 ekin = 0.876047647700613 | erot = 1.84263812610127 | epot = -11.8520349021344 | etot = -9.1333491283325 +312000 ekin = 0.876068182199134 | erot = 1.78248869456961 | epot = -11.7919060050075 | etot = -9.13334912823871 +313000 ekin = 0.885223985970026 | erot = 1.73072892882286 | epot = -11.7493020429823 | etot = -9.1333491281894 +314000 ekin = 0.90325834251522 | erot = 1.6883206698841 | epot = -11.7249281405912 | etot = -9.13334912819187 +315000 ekin = 0.929731391718518 | erot = 1.65558558099762 | epot = -11.7186661009695 | etot = -9.13334912825333 +316000 ekin = 0.964013828970734 | erot = 1.63211973509068 | epot = -11.72948269244 | etot = -9.13334912837856 +317000 ekin = 1.0052762921168 | erot = 1.61675326466496 | epot = -11.7553786853484 | etot = -9.13334912856667 +318000 ekin = 1.05248736450138 | erot = 1.60758570940588 | epot = -11.7934222027157 | etot = -9.13334912880845 +319000 ekin = 1.10443332868138 | erot = 1.60212494474532 | epot = -11.8399074025111 | etot = -9.13334912908443 +320000 ekin = 1.15976924920831 | erot = 1.59754526105424 | epot = -11.8906636396273 | etot = -9.13334912936474 +321000 ekin = 1.21710352305675 | erot = 1.59105554518188 | epot = -11.9415081978521 | etot = -9.1333491296135 +322000 ekin = 1.2751075118947 | erot = 1.58033324923108 | epot = -11.9887898909202 | etot = -9.13334912979443 +323000 ekin = 1.33263084645705 | erot = 1.56394390937361 | epot = -12.0299238857106 | etot = -9.13334912987991 +324000 ekin = 1.38879590712203 | erot = 1.54164678485257 | epot = -12.0637918218337 | etot = -9.1333491298591 +325000 ekin = 1.44304623679693 | erot = 1.51450056885279 | epot = -12.0908959353908 | etot = -9.13334912974113 +326000 ekin = 1.49513435445661 | erot = 1.4847307306606 | epot = -12.1132142146703 | etot = -9.13334912955313 +327000 ekin = 1.5450506593832 | erot = 1.4553840086035 | epot = -12.1337837973211 | etot = -9.13334912933442 +328000 ekin = 1.59290981434222 | erot = 1.42984788209345 | epot = -12.1561068255634 | etot = -9.13334912912769 +329000 ekin = 1.6388186097559 | erot = 1.41133335467792 | epot = -12.1835010934059 | etot = -9.13334912897204 +330000 ekin = 1.68274896183058 | erot = 1.40240729591338 | epot = -12.2185053866415 | etot = -9.1333491288975 +331000 ekin = 1.72443467169528 | erot = 1.40463116342013 | epot = -12.2624149640389 | etot = -9.13334912892348 +332000 ekin = 1.76330533674292 | erot = 1.41833479327437 | epot = -12.3149892590739 | etot = -9.13334912905662 +333000 ekin = 1.79846823309258 | erot = 1.44253834966203 | epot = -12.3743557120439 | etot = -9.13334912928929 +334000 ekin = 1.82874900591076 | erot = 1.47503277033831 | epot = -12.4371309058471 | etot = -9.13334912959799 +335000 ekin = 1.85279616115802 | erot = 1.5126357019748 | epot = -12.4987809930758 | etot = -9.133349129943 +336000 ekin = 1.8692763055876 | erot = 1.55160162438138 | epot = -12.5542270602382 | etot = -9.13334913026923 +337000 ekin = 1.87711735413924 | erot = 1.58820049773308 | epot = -12.5986669823874 | etot = -9.13334913051506 +338000 ekin = 1.87574840923161 | erot = 1.61938868722915 | epot = -12.6284862270849 | etot = -9.13334913062411 +339000 ekin = 1.8653486636272 | erot = 1.64338736517843 | epot = -12.6420851593666 | etot = -9.13334913056097 +340000 ekin = 1.84695798886999 | erot = 1.66009075059765 | epot = -12.6403978697903 | etot = -9.13334913032267 +341000 ekin = 1.8224396907666 | erot = 1.67114820362601 | epot = -12.6269370243337 | etot = -9.13334912994108 +342000 ekin = 1.79428655955893 | erot = 1.67969211618916 | epot = -12.6073278052237 | etot = -9.13334912947557 +343000 ekin = 1.76531632972558 | erot = 1.68978090506883 | epot = -12.5884463637907 | etot = -9.13334912899625 +344000 ekin = 1.73833039739302 | erot = 1.70570000747012 | epot = -12.577379533433 | etot = -9.1333491285699 +345000 ekin = 1.71580589060289 | erot = 1.73127559556322 | epot = -12.5804306144148 | etot = -9.13334912824874 +346000 ekin = 1.6996635309761 | erot = 1.76931234934734 | epot = -12.6023250083906 | etot = -9.13334912806714 +347000 ekin = 1.69112042623298 | erot = 1.82120184302248 | epot = -12.6456713972995 | etot = -9.13334912804407 +348000 ekin = 1.69061396982769 | erot = 1.88669704033581 | epot = -12.71066013835 | etot = -9.13334912818651 +349000 ekin = 1.6977768178821 | erot = 1.96382926866158 | epot = -12.7949552150345 | etot = -9.13334912849085 +350000 ekin = 1.71145115010259 | erot = 2.04895591402506 | epot = -12.8937561930702 | etot = -9.13334912894252 +351000 ekin = 1.72974629646179 | erot = 2.13695636910459 | epot = -13.0000517950764 | etot = -9.13334912951007 +352000 ekin = 1.75015893903938 | erot = 2.22162008456559 | epot = -13.105128153745 | etot = -9.13334913014002 +353000 ekin = 1.76978034905558 | erot = 2.2962702964592 | epot = -13.1993997762713 | etot = -9.13334913075652 +354000 ekin = 1.78560210911966 | erot = 2.35462017023351 | epot = -13.27357141062 | etot = -9.13334913126686 +355000 ekin = 1.79489785472858 | erot = 2.39176336004096 | epot = -13.3200103463511 | etot = -9.13334913158154 +356000 ekin = 1.79561393246616 | erot = 2.40509186859444 | epot = -13.3340549326997 | etot = -9.13334913163909 +357000 ekin = 1.78667091072668 | erot = 2.39487614134844 | epot = -13.3148961835033 | etot = -9.13334913142816 +358000 ekin = 1.76810167230557 | erot = 2.36429897994081 | epot = -13.2657497831712 | etot = -9.13334913092478 +359000 ekin = 1.7417056904474 | erot = 2.31907684809561 | epot = -13.1941316689282 | etot = -9.13334913038514 +360000 ekin = 1.70943632676234 | erot = 2.26611368397217 | epot = -13.1088991405414 | etot = -9.13334912980693 +361000 ekin = 1.67315005965486 | erot = 2.21234166615777 | epot = -13.0188408550991 | etot = -9.13334912928651 +362000 ekin = 1.63480994001601 | erot = 2.16376887379877 | epot = -12.9319279427067 | etot = -9.13334912889189 +363000 ekin = 1.59622606057561 | erot = 2.12469986683801 | epot = -12.8542750560709 | etot = -9.13334912865731 +364000 ekin = 1.55890205833797 | erot = 2.09734631559815 | epot = -12.7895975025219 | etot = -9.13334912858577 +365000 ekin = 1.52397421076781 | erot = 2.08181308416714 | epot = -12.7391364235917 | etot = -9.13334912865673 +366000 ekin = 1.49221260734017 | erot = 2.07639009796196 | epot = -12.7019518341355 | etot = -9.13334912883336 +367000 ekin = 1.46405952364962 | erot = 2.07805510122151 | epot = -12.6754637539438 | etot = -9.13334912907266 +368000 ekin = 1.43967726932399 | erot = 2.08307216057582 | epot = -12.6560985592337 | etot = -9.13334912933388 +369000 ekin = 1.41899010811501 | erot = 2.08756917147262 | epot = -12.639908409173 | etot = -9.13334912958535 +370000 ekin = 1.4017155735679 | erot = 2.08800173652872 | epot = -12.6230664399024 | etot = -9.13334912980582 +371000 ekin = 1.38739280854902 | erot = 2.08146226240632 | epot = -12.6022042009375 | etot = -9.1333491299822 +372000 ekin = 1.37542340308629 | erot = 2.06585193702345 | epot = -12.5746244702142 | etot = -9.1333491301045 +373000 ekin = 1.36513752357954 | erot = 2.03996886737167 | epot = -12.5384555211136 | etot = -9.13334913016239 +374000 ekin = 1.35583949105216 | erot = 2.0035197577249 | epot = -12.4927083789469 | etot = -9.13334913016985 +375000 ekin = 1.34694157711492 | erot = 1.95716038268595 | epot = -12.4374510898692 | etot = -9.13334913006829 +376000 ekin = 1.33814968105299 | erot = 1.90258032253382 | epot = -12.3740791334842 | etot = -9.13334912989743 +377000 ekin = 1.3293626112084 | erot = 1.84227265725276 | epot = -12.3049843981381 | etot = -9.13334912967697 +378000 ekin = 1.32063159991378 | erot = 1.77926043319083 | epot = -12.2332411625438 | etot = -9.13334912943922 +379000 ekin = 1.31208340368883 | erot = 1.71672941783678 | epot = -12.1621619507418 | etot = -9.13334912921615 +380000 ekin = 1.30384179784231 | erot = 1.65764204155824 | epot = -12.0948329684342 | etot = -9.13334912903366 +381000 ekin = 1.29657917475847 | erot = 1.60487100826719 | epot = -12.0347993118457 | etot = -9.13334912882004 +382000 ekin = 1.29092190134704 | erot = 1.5606106770711 | epot = -11.9848817072436 | etot = -9.13334912882546 +383000 ekin = 1.28620909068432 | erot = 1.52536833770028 | epot = -11.9449265572235 | etot = -9.13334912883891 +384000 ekin = 1.28205683099636 | erot = 1.49922806168843 | epot = -11.9146340215165 | etot = -9.1333491288317 +385000 ekin = 1.27850478017873 | erot = 1.48216189144837 | epot = -11.8940158004146 | etot = -9.1333491287875 +386000 ekin = 1.27603762173997 | erot = 1.47423730493026 | epot = -11.8836240553805 | etot = -9.13334912871028 +387000 ekin = 1.27548287271909 | erot = 1.47565716104746 | epot = -11.8844891623904 | etot = -9.13334912862385 +388000 ekin = 1.27780044585781 | erot = 1.48660964097428 | epot = -11.8977592153986 | etot = -9.13334912856648 +389000 ekin = 1.28381262703568 | erot = 1.50697425852404 | epot = -11.9241360141384 | etot = -9.13334912857867 +390000 ekin = 1.29393930260845 | erot = 1.53598035068237 | epot = -11.9632687819857 | etot = -9.13334912869492 +391000 ekin = 1.30800074456098 | erot = 1.5719098492443 | epot = -12.0132597227343 | etot = -9.13334912892906 +392000 ekin = 1.32513099179446 | erot = 1.61197584867681 | epot = -12.0704559697433 | etot = -9.13334912927198 +393000 ekin = 1.34382543000145 | erot = 1.6524144888335 | epot = -12.1295890485248 | etot = -9.13334912968983 +394000 ekin = 1.36212102398639 | erot = 1.68881012624701 | epot = -12.1842802803622 | etot = -9.13334913012882 +395000 ekin = 1.37788072140316 | erot = 1.71661593053998 | epot = -12.2278457824672 | etot = -9.13334913052405 +396000 ekin = 1.38913154512402 | erot = 1.731811126183 | epot = -12.2542918021043 | etot = -9.13334913079732 +397000 ekin = 1.39439357479737 | erot = 1.73153617599033 | epot = -12.2592788817201 | etot = -9.13334913093241 +398000 ekin = 1.39293904659182 | erot = 1.71441550438733 | epot = -12.240703681855 | etot = -9.13334913087585 +399000 ekin = 1.3849317477743 | erot = 1.68094766350868 | epot = -12.1992285419448 | etot = -9.13334913066178 +400000 ekin = 1.37142116074087 | erot = 1.6333076419787 | epot = -12.138077933025 | etot = -9.13334913030545 +401000 ekin = 1.35412991252433 | erot = 1.57501044311684 | epot = -12.0624894855334 | etot = -9.13334912989227 +402000 ekin = 1.33517991856889 | erot = 1.51048364980015 | epot = -11.9790126977735 | etot = -9.13334912940443 +403000 ekin = 1.31709653187258 | erot = 1.44458891478878 | epot = -11.8950345755997 | etot = -9.13334912893839 +404000 ekin = 1.30234590493863 | erot = 1.38198365576701 | epot = -11.8176786892407 | etot = -9.13334912853503 +405000 ekin = 1.29301391716261 | erot = 1.32673455588803 | epot = -11.7530976012884 | etot = -9.13334912823777 +406000 ekin = 1.2906546746278 | erot = 1.28204116436322 | epot = -11.7060449670165 | etot = -9.13334912802551 +407000 ekin = 1.29643237294787 | erot = 1.25006436588367 | epot = -11.6798458667504 | etot = -9.13334912791888 +408000 ekin = 1.31094700615241 | erot = 1.23190986721484 | epot = -11.6762060012831 | etot = -9.13334912791581 +409000 ekin = 1.33422438303354 | erot = 1.22763489752227 | epot = -11.6952084085704 | etot = -9.13334912801461 +410000 ekin = 1.36572014154941 | erot = 1.23628017302481 | epot = -11.7353494427861 | etot = -9.1333491282119 +411000 ekin = 1.40432668760742 | erot = 1.25592548503564 | epot = -11.793601301144 | etot = -9.13334912850095 +412000 ekin = 1.44839088645837 | erot = 1.28379672627856 | epot = -11.8655367416044 | etot = -9.13334912886744 +413000 ekin = 1.4957679524182 | erot = 1.31646032748941 | epot = -11.9455774091906 | etot = -9.13334912928304 +414000 ekin = 1.54394920889428 | erot = 1.35014055217881 | epot = -12.0274388907764 | etot = -9.13334912970329 +415000 ekin = 1.59029421705125 | erot = 1.38116660571204 | epot = -12.1048099528333 | etot = -9.13334913007006 +416000 ekin = 1.63235973909076 | erot = 1.40649922749326 | epot = -12.1722080969088 | etot = -9.13334913032477 +417000 ekin = 1.66825800489191 | erot = 1.42422016761206 | epot = -12.2258273029356 | etot = -9.13334913043163 +418000 ekin = 1.69693219837215 | erot = 1.43381449957517 | epot = -12.2640958283214 | etot = -9.13334913037409 +419000 ekin = 1.71824951894772 | erot = 1.43620625779659 | epot = -12.287804906928 | etot = -9.13334913018368 +420000 ekin = 1.73288337430554 | erot = 1.43350825350812 | epot = -12.2997407577243 | etot = -9.13334912991064 +421000 ekin = 1.74204129532368 | erot = 1.42856028674974 | epot = -12.3039507116831 | etot = -9.1333491296097 +422000 ekin = 1.74713701807706 | erot = 1.42445618730841 | epot = -12.3049423347125 | etot = -9.13334912932706 +423000 ekin = 1.74949063384707 | erot = 1.42413436044398 | epot = -12.3069741233949 | etot = -9.13334912910383 +424000 ekin = 1.75009754643003 | erot = 1.4300564192515 | epot = -12.3135030946278 | etot = -9.1333491289463 +425000 ekin = 1.74947257256719 | erot = 1.44412400802322 | epot = -12.3269457094739 | etot = -9.13334912888348 +426000 ekin = 1.69664946387423 | erot = 1.40011304962606 | epot = -12.2301116345993 | etot = -9.13334912109897 +427000 ekin = 1.76448154345998 | erot = 1.46695774970195 | epot = -12.3647884699807 | etot = -9.1333491768188 +428000 ekin = 1.7786404038274 | erot = 1.51204937412237 | epot = -12.4240389057573 | etot = -9.13334912780751 +429000 ekin = 1.7774425409066 | erot = 1.55645173379887 | epot = -12.4672434028096 | etot = -9.13334912810414 +430000 ekin = 1.76864481713924 | erot = 1.60567169371185 | epot = -12.5076656392886 | etot = -9.13334912843749 +431000 ekin = 1.7504144399306 | erot = 1.65655638514155 | epot = -12.5403199538335 | etot = -9.13334912876136 +432000 ekin = 1.72143753020936 | erot = 1.70559294341342 | epot = -12.5603796026441 | etot = -9.13334912902131 +433000 ekin = 1.68129756274209 | erot = 1.74934007551142 | epot = -12.5639867674184 | etot = -9.13334912916485 +434000 ekin = 1.6307765097996 | erot = 1.78490039303309 | epot = -12.5490260319873 | etot = -9.13334912915464 +435000 ekin = 1.5719888208448 | erot = 1.81033246556215 | epot = -12.5156704153874 | etot = -9.13334912898044 +436000 ekin = 1.50828072851463 | erot = 1.82489908961126 | epot = -12.4665289467908 | etot = -9.13334912866491 +437000 ekin = 1.44388315301219 | erot = 1.82908776308031 | epot = -12.4063200443508 | etot = -9.13334912825832 +438000 ekin = 1.38337900429708 | erot = 1.82441107452572 | epot = -12.3411392066477 | etot = -9.13334912782489 +439000 ekin = 1.33110407576217 | erot = 1.81306694504129 | epot = -12.277520148228 | etot = -9.13334912742457 +440000 ekin = 1.29061754888996 | erot = 1.79757475508412 | epot = -12.2215414310741 | etot = -9.13334912710001 +441000 ekin = 1.26434687832154 | erot = 1.78048600607446 | epot = -12.178182011266 | etot = -9.13334912687002 +442000 ekin = 1.25344985037922 | erot = 1.76421040799477 | epot = -12.1510093851077 | etot = -9.13334912673374 +443000 ekin = 1.25787308938405 | erot = 1.75093400476739 | epot = -12.1421562208303 | etot = -9.13334912667884 +444000 ekin = 1.27654491138795 | erot = 1.7425672785205 | epot = -12.1524613166016 | etot = -9.13334912669317 +445000 ekin = 1.30762960642471 | erot = 1.74066161517058 | epot = -12.1816403483643 | etot = -9.13334912676902 +446000 ekin = 1.34878485335224 | erot = 1.74626611357115 | epot = -12.2284000938275 | etot = -9.13334912690411 +447000 ekin = 1.39739993763739 | erot = 1.75974793458101 | epot = -12.2904969993182 | etot = -9.13334912709981 +448000 ekin = 1.4507664919091 | erot = 1.78060717934162 | epot = -12.3647227986027 | etot = -9.13334912735198 +449000 ekin = 1.50623999605369 | erot = 1.80738848344727 | epot = -12.4469776071503 | etot = -9.13334912764936 +450000 ekin = 1.56138908054611 | erot = 1.83773497344371 | epot = -12.5324731819606 | etot = -9.13334912797076 +451000 ekin = 1.61412412964536 | erot = 1.86859865234449 | epot = -12.6160719102764 | etot = -9.13334912828658 +452000 ekin = 1.66280931630125 | erot = 1.89658548036403 | epot = -12.692743925228 | etot = -9.13334912856274 +453000 ekin = 1.70634971637102 | erot = 1.91837476586826 | epot = -12.7580736110106 | etot = -9.1333491287713 +454000 ekin = 1.74423056750382 | erot = 1.93111374790662 | epot = -12.8086934443055 | etot = -9.13334912889508 +455000 ekin = 1.77648988409904 | erot = 1.93270291378203 | epot = -12.8425419268135 | etot = -9.13334912893246 +456000 ekin = 1.80361911556763 | erot = 1.92192628287829 | epot = -12.858894527342 | etot = -9.13334912889608 +457000 ekin = 1.82640016706247 | erot = 1.89842961389972 | epot = -12.8581789097703 | etot = -9.13334912880812 +458000 ekin = 1.84570455025974 | erot = 1.86259298695773 | epot = -12.8416466659124 | etot = -9.13334912869491 +459000 ekin = 1.86229070170989 | erot = 1.81535342315173 | epot = -12.8109932534393 | etot = -9.13334912857765 +460000 ekin = 1.87663848085908 | erot = 1.75803306182813 | epot = -12.7680206711607 | etot = -9.1333491284735 +461000 ekin = 1.88883864523231 | erot = 1.69219746384324 | epot = -12.7143852374646 | etot = -9.13334912838905 +462000 ekin = 1.89856203652343 | erot = 1.61956678027461 | epot = -12.6514779451225 | etot = -9.1333491283245 +463000 ekin = 1.90510221764518 | erot = 1.54196437877865 | epot = -12.5804157247 | etot = -9.13334912827615 +464000 ekin = 1.90747686786698 | erot = 1.46127993198498 | epot = -12.5021059280868 | etot = -9.1333491282348 +465000 ekin = 1.90457977356204 | erot = 1.37946070091751 | epot = -12.4173896026653 | etot = -9.13334912818579 +466000 ekin = 1.89536572152371 | erot = 1.29851485172167 | epot = -12.3272297013669 | etot = -9.13334912812149 +467000 ekin = 1.87901831710021 | erot = 1.22048659414392 | epot = -12.23285403928 | etot = -9.13334912803591 +468000 ekin = 1.85509917792101 | erot = 1.1473912628405 | epot = -12.1358395686897 | etot = -9.13334912792815 +469000 ekin = 1.82366605107361 | erot = 1.08110787535082 | epot = -12.0381230542268 | etot = -9.13334912780238 +470000 ekin = 1.7853521607565 | erot = 1.02324127043668 | epot = -11.9419425588574 | etot = -9.13334912766426 +471000 ekin = 1.74141051513418 | erot = 0.974982090043544 | epot = -11.8497417326969 | etot = -9.13334912751917 +472000 ekin = 1.69372019705967 | erot = 0.937000644454867 | epot = -11.7640699688862 | etot = -9.13334912737167 +473000 ekin = 1.64473632771003 | erot = 0.909402534931779 | epot = -11.687487989869 | etot = -9.1333491272272 +474000 ekin = 1.59734995177387 | erot = 0.891755018431486 | epot = -11.6224540973009 | etot = -9.13334912709558 +475000 ekin = 1.55462885495273 | erot = 0.883174765260199 | epot = -11.5711527472045 | etot = -9.13334912699156 +476000 ekin = 1.51944866261178 | erot = 0.882459888569591 | epot = -11.5352576781131 | etot = -9.13334912693173 +477000 ekin = 1.49408243529042 | erot = 0.888250161716877 | epot = -11.5156817239351 | etot = -9.13334912692782 +478000 ekin = 1.47985622585632 | erot = 0.899197335532762 | epot = -11.5124026883711 | etot = -9.13334912698202 +479000 ekin = 1.47695373952845 | erot = 0.914115348457381 | epot = -11.5244182150797 | etot = -9.13334912709389 +480000 ekin = 1.48439477575444 | erot = 0.93207251662073 | epot = -11.5498164196176 | etot = -9.13334912724239 +481000 ekin = 1.50022741217502 | erot = 0.952423999183962 | epot = -11.5860005387814 | etot = -9.13334912742239 +482000 ekin = 1.52172985963414 | erot = 0.9747542118462 | epot = -11.6298331991069 | etot = -9.13334912762657 +483000 ekin = 1.54567018241497 | erot = 0.998770450814422 | epot = -11.6777897610753 | etot = -9.13334912784592 +484000 ekin = 1.56858614723089 | erot = 1.02419763510822 | epot = -11.7261329104079 | etot = -9.13334912806883 +485000 ekin = 1.58707346955084 | erot = 1.05070585623108 | epot = -11.7711284540615 | etot = -9.13334912827962 +486000 ekin = 1.59807103603109 | erot = 1.07788995424654 | epot = -11.8093101187376 | etot = -9.13334912845999 +487000 ekin = 1.59911980804461 | erot = 1.10529931942145 | epot = -11.837768256059 | etot = -9.13334912859298 +488000 ekin = 1.58856342116693 | erot = 1.13249736396193 | epot = -11.854409913796 | etot = -9.13334912866709 +489000 ekin = 1.5656614290475 | erot = 1.15911683125774 | epot = -11.858127388984 | etot = -9.13334912867874 +490000 ekin = 1.53060268554712 | erot = 1.1848850242731 | epot = -11.8488368384537 | etot = -9.13334912863345 +491000 ekin = 1.48443427069534 | erot = 1.20959914015965 | epot = -11.8273825393275 | etot = -9.13334912847252 +492000 ekin = 1.42930345354516 | erot = 1.2329182959332 | epot = -11.7955708778624 | etot = -9.13334912838407 +493000 ekin = 1.36749564145212 | erot = 1.25438544605068 | epot = -11.7552302157785 | etot = -9.13334912827565 +494000 ekin = 1.3013726298813 | erot = 1.27348228002522 | epot = -11.7082040380617 | etot = -9.13334912815521 +495000 ekin = 1.23360970817059 | erot = 1.28954660636125 | epot = -11.6565054425593 | etot = -9.1333491280275 +496000 ekin = 1.16375548641053 | erot = 1.30023195608647 | epot = -11.5973366205417 | etot = -9.1333491780447 +497000 ekin = 1.02574644939826 | erot = 1.24927230426371 | epot = -11.4083678755036 | etot = -9.13334912184166 +498000 ekin = 1.13339044616106 | erot = 1.24939677704367 | epot = -11.516136389112 | etot = -9.13334916590723 +499000 ekin = 1.1643476239324 | erot = 1.25864673154955 | epot = -11.5563434800377 | etot = -9.13334912455579 +500000 ekin = 1.16768486506763 | erot = 1.25769344443904 | epot = -11.5587274345812 | etot = -9.13334912507452 +501000 ekin = 1.17559895497533 | erot = 1.25038915442595 | epot = -11.5593372343039 | etot = -9.13334912490261 +502000 ekin = 1.18926606273922 | erot = 1.23784323633033 | epot = -11.5604584237502 | etot = -9.13334912468066 +503000 ekin = 1.20982408114937 | erot = 1.22204157664317 | epot = -11.565214782232 | etot = -9.13334912443942 +504000 ekin = 1.23811782737044 | erot = 1.2057286537842 | epot = -11.5771956053585 | etot = -9.13334912420385 +505000 ekin = 1.2746096622879 | erot = 1.19199209322121 | epot = -11.5999508795099 | etot = -9.13334912400081 +506000 ekin = 1.31928047819602 | erot = 1.18393687677856 | epot = -11.6365664788293 | etot = -9.13334912385472 +507000 ekin = 1.3715770090051 | erot = 1.1843511838655 | epot = -11.6892773166535 | etot = -9.13334912378287 +508000 ekin = 1.43042502721544 | erot = 1.19541187481536 | epot = -11.7591860258238 | etot = -9.13334912379299 +509000 ekin = 1.49431413372851 | erot = 1.21846596295601 | epot = -11.8461292205675 | etot = -9.13334912388301 +510000 ekin = 1.56143815899976 | erot = 1.25390781315331 | epot = -11.9486950961964 | etot = -9.13334912404328 +511000 ekin = 1.62985405359518 | erot = 1.30115550673923 | epot = -12.0643586845951 | etot = -9.13334912426069 +512000 ekin = 1.69760948238416 | erot = 1.35871536004227 | epot = -12.18967396695 | etot = -9.13334912452357 +513000 ekin = 1.76279412854755 | erot = 1.42431355746689 | epot = -12.3204568108389 | etot = -9.13334912482451 +514000 ekin = 1.82349978434179 | erot = 1.49507387317699 | epot = -12.4519227826769 | etot = -9.13334912515816 +515000 ekin = 1.87772649131692 | erot = 1.56773414236046 | epot = -12.5788097591909 | etot = -9.13334912551357 +516000 ekin = 1.92332299298487 | erot = 1.63891274675816 | epot = -12.6955848656085 | etot = -9.13334912586549 +517000 ekin = 1.9580568110205 | erot = 1.70543998933956 | epot = -12.796845926533 | etot = -9.13334912617288 +518000 ekin = 1.97984991947 | erot = 1.76473849815176 | epot = -12.8779375440093 | etot = -9.13334912638759 +519000 ekin = 1.98711819296686 | erot = 1.81518192784827 | epot = -12.9356492472857 | etot = -9.1333491264706 +520000 ekin = 1.979089110772 | erot = 1.85632478175013 | epot = -12.9687630189341 | etot = -9.13334912641202 +521000 ekin = 1.95594858056397 | erot = 1.88892760796643 | epot = -12.9782253147566 | etot = -9.13334912622617 +522000 ekin = 1.91881161738192 | erot = 1.91475582237447 | epot = -12.9669165657073 | etot = -9.13334912595088 +523000 ekin = 1.8695404534331 | erot = 1.93620351350285 | epot = -12.9390930925716 | etot = -9.1333491256356 +524000 ekin = 1.81047332181729 | erot = 1.95582271022136 | epot = -12.8996451573702 | etot = -9.13334912533158 +525000 ekin = 1.74413482435741 | erot = 1.97582576721596 | epot = -12.8533097166598 | etot = -9.13334912508643 +526000 ekin = 1.67297434024971 | erot = 1.99761678040444 | epot = -12.8039402455921 | etot = -9.13334912493798 +527000 ekin = 1.59916865616246 | erot = 2.02141684187606 | epot = -12.753934622945 | etot = -9.1333491249065 +528000 ekin = 1.52452149634699 | erot = 2.04605877912568 | epot = -12.7039294004611 | etot = -9.13334912498842 +529000 ekin = 1.45048141638071 | erot = 2.06903286947777 | epot = -12.6528634110106 | etot = -9.13334912515212 +530000 ekin = 1.37827485203383 | erot = 2.08683821123052 | epot = -12.5984621886053 | etot = -9.133349125341 +531000 ekin = 1.30911544825177 | erot = 2.09562136598152 | epot = -12.5380859397197 | etot = -9.13334912548638 +532000 ekin = 1.24441932206891 | erot = 2.09198653946257 | epot = -12.4697549870577 | etot = -9.13334912552618 +533000 ekin = 1.18594679653149 | erot = 2.07377924595455 | epot = -12.3930751679099 | etot = -9.13334912542387 +534000 ekin = 1.13581312461362 | erot = 2.0406294196016 | epot = -12.3097916693935 | etot = -9.13334912517829 +535000 ekin = 1.09635528031391 | erot = 1.99411201499553 | epot = -12.2238164201321 | etot = -9.13334912482269 +536000 ekin = 1.06988655695557 | erot = 1.93750945181437 | epot = -12.1407451331833 | etot = -9.1333491244134 +537000 ekin = 1.05839509271197 | erot = 1.87547351818625 | epot = -12.0672177348914 | etot = -9.13334912399314 +538000 ekin = 1.06323891385436 | erot = 1.81331424698503 | epot = -12.0099022845181 | etot = -9.13334912367869 +539000 ekin = 1.08487929969881 | erot = 1.7556239231471 | epot = -11.9738523463394 | etot = -9.13334912349346 +540000 ekin = 1.12268189022869 | erot = 1.70611667318478 | epot = -11.9621476868877 | etot = -9.13334912347426 +541000 ekin = 1.17481105395755 | erot = 1.6671748123082 | epot = -11.9753349899041 | etot = -9.13334912363839 +542000 ekin = 1.23824417790831 | erot = 1.63956314455178 | epot = -12.0111564464395 | etot = -9.13334912397937 +543000 ekin = 1.30892832431953 | erot = 1.62236761446633 | epot = -12.0646450632485 | etot = -9.13334912446267 +544000 ekin = 1.38208514507435 | erot = 1.61318872881536 | epot = -12.1286229989201 | etot = -9.13334912503035 +545000 ekin = 1.45263801176001 | erot = 1.60857948401617 | epot = -12.1945666213826 | etot = -9.13334912560646 +546000 ekin = 1.51570974605509 | erot = 1.6046737747277 | epot = -12.2537326468934 | etot = -9.13334912611061 +547000 ekin = 1.56711452712088 | erot = 1.59788800381636 | epot = -12.2983516574118 | etot = -9.13334912647456 +548000 ekin = 1.60376221827898 | erot = 1.58554162816685 | epot = -12.3226529731016 | etot = -9.13334912665578 +549000 ekin = 1.6239104162611 | erot = 1.566256264213 | epot = -12.3235158071199 | etot = -9.13334912664576 +550000 ekin = 1.62723358008893 | erot = 1.54012357328677 | epot = -12.3007062798211 | etot = -9.13334912644538 +551000 ekin = 1.61471889891605 | erot = 1.50851459570777 | epot = -12.2565826207683 | etot = -9.13334912614448 +552000 ekin = 1.58843016682361 | erot = 1.47348936384284 | epot = -12.1952686564364 | etot = -9.13334912576998 +553000 ekin = 1.55120098109954 | erot = 1.43753302719075 | epot = -12.1220831336597 | etot = -9.13334912536936 +554000 ekin = 1.50631636213207 | erot = 1.40318755323182 | epot = -12.042853040342 | etot = -9.13334912497809 +555000 ekin = 1.45722878986545 | erot = 1.37279698199939 | epot = -11.9633748964846 | etot = -9.13334912461971 +556000 ekin = 1.40732293285206 | erot = 1.3483759063901 | epot = -11.8890479635485 | etot = -9.13334912430635 +557000 ekin = 1.35973750772892 | erot = 1.33157707038875 | epot = -11.8246637021606 | etot = -9.13334912404289 +558000 ekin = 1.31723590732968 | erot = 1.32371628032645 | epot = -11.7743013114878 | etot = -9.1333491238317 +559000 ekin = 1.28211028309144 | erot = 1.32580526483645 | epot = -11.7412646716043 | etot = -9.13334912367643 +560000 ekin = 1.2561059040487 | erot = 1.33855626265777 | epot = -11.7280112902897 | etot = -9.13334912358324 +561000 ekin = 1.24035844263301 | erot = 1.36234138770193 | epot = -11.7360489538955 | etot = -9.13334912356059 +562000 ekin = 1.23534624012637 | erot = 1.39711468447301 | epot = -11.7658100482156 | etot = -9.13334912361619 +563000 ekin = 1.24087113988421 | erot = 1.4423315029815 | epot = -11.8165517666166 | etot = -9.13334912375085 +564000 ekin = 1.25609129143038 | erot = 1.49691875867427 | epot = -11.8863591740582 | etot = -9.13334912395359 +565000 ekin = 1.27963015842595 | erot = 1.55937933470899 | epot = -11.9723586173234 | etot = -9.13334912418842 +566000 ekin = 1.30976945418457 | erot = 1.6279566472584 | epot = -12.0710752258912 | etot = -9.13334912444824 +567000 ekin = 1.34469873511337 | erot = 1.70073738336711 | epot = -12.1787852431714 | etot = -9.13334912469093 +568000 ekin = 1.38275779930792 | erot = 1.77591787229856 | epot = -12.2920247965114 | etot = -9.13334912490494 +569000 ekin = 1.42260294142322 | erot = 1.8518312790153 | epot = -12.4077833455332 | etot = -9.13334912509465 +570000 ekin = 1.4631143309606 | erot = 1.92670412004171 | epot = -12.5231675763701 | etot = -9.13334912536776 +571000 ekin = 1.50327753328919 | erot = 1.99853100879909 | epot = -12.6351576677695 | etot = -9.13334912568126 +572000 ekin = 1.54192966726675 | erot = 2.06497613729181 | epot = -12.7402549304336 | etot = -9.133349125875 +573000 ekin = 1.57823855406974 | erot = 2.12427016695888 | epot = -12.8358578469861 | etot = -9.13334912595745 +574000 ekin = 1.61207502224264 | erot = 2.17570201380341 | epot = -12.9211261619163 | etot = -9.1333491258703 +575000 ekin = 1.64402582173703 | erot = 2.22028441013991 | epot = -12.9976593575026 | etot = -9.13334912562569 +576000 ekin = 1.67538587678288 | erot = 2.26042238856323 | epot = -13.0691573906371 | etot = -9.13334912529099 +577000 ekin = 1.7078920937888 | erot = 2.29915883242413 | epot = -13.1404000511807 | etot = -9.13334912496776 +578000 ekin = 1.74326819508329 | erot = 2.33909725076283 | epot = -13.2157145705948 | etot = -9.13334912474865 +579000 ekin = 1.78272231838223 | erot = 2.38182643842076 | epot = -13.2978978814978 | etot = -9.13334912469481 +580000 ekin = 1.82652189372901 | erot = 2.42751679139609 | epot = -13.3873878099583 | etot = -9.13334912483316 +581000 ekin = 1.87370675175335 | erot = 2.47480205693756 | epot = -13.4818579338651 | etot = -9.13334912517415 +582000 ekin = 1.92197052578458 | erot = 2.52092715153073 | epot = -13.5762468029754 | etot = -9.13334912566012 +583000 ekin = 1.96774925896891 | erot = 2.56227660801421 | epot = -13.6633749932237 | etot = -9.13334912624054 +584000 ekin = 2.00657374540248 | erot = 2.59498886542586 | epot = -13.7349117376487 | etot = -9.13334912682033 +585000 ekin = 2.03371871575753 | erot = 2.6156627420009 | epot = -13.7827305850408 | etot = -9.13334912728238 +586000 ekin = 2.04507827703364 | erot = 2.62214006251189 | epot = -13.8005674670621 | etot = -9.13334912751658 +587000 ekin = 2.03806243485761 | erot = 2.6141199488879 | epot = -13.7855315112053 | etot = -9.13334912745983 +588000 ekin = 2.0122311518449 | erot = 2.5933503011183 | epot = -13.7389305800887 | etot = -9.13334912712549 +589000 ekin = 1.96942837554717 | erot = 2.56324673362595 | epot = -13.6660242357775 | etot = -9.13334912660437 +590000 ekin = 1.91334419959158 | erot = 2.52801524733165 | epot = -13.5747085729552 | etot = -9.13334912603198 +591000 ekin = 1.84865383330942 | erot = 2.49158313368603 | epot = -13.4735860925311 | etot = -9.13334912553562 +592000 ekin = 1.78006004419971 | erot = 2.45674050608129 | epot = -13.3701496754662 | etot = -9.1333491251852 +593000 ekin = 1.71159279762554 | erot = 2.42478693108865 | epot = -13.269728853693 | etot = -9.13334912497882 +594000 ekin = 1.64634946405776 | erot = 2.39569805900991 | epot = -13.1753966479387 | etot = -9.13334912487102 +595000 ekin = 1.58659479949359 | erot = 2.36854432556902 | epot = -13.0884882498818 | etot = -9.13334912481919 +596000 ekin = 1.53398103551836 | erot = 2.34182175785199 | epot = -13.0091519181808 | etot = -9.13334912481048 +597000 ekin = 1.48969441622996 | erot = 2.31355286210448 | epot = -12.9365964031859 | etot = -9.13334912485146 +598000 ekin = 1.45449014890807 | erot = 2.28129539495794 | epot = -12.8691346688086 | etot = -9.1333491249426 +599000 ekin = 1.42868283606302 | erot = 2.24230571379656 | epot = -12.8043376749205 | etot = -9.13334912506095 +600000 ekin = 1.41215819513097 | erot = 2.19421771509131 | epot = -12.7397250351199 | etot = -9.13334912489764 +601000 ekin = 1.40437980063911 | erot = 2.13675092848281 | epot = -12.6744798541827 | etot = -9.13334912506081 +602000 ekin = 1.40442466853377 | erot = 2.06863595764429 | epot = -12.6064097512965 | etot = -9.13334912511842 +603000 ekin = 1.4111230244965 | erot = 1.98998056957671 | epot = -12.5344527191447 | etot = -9.13334912507154 +604000 ekin = 1.42310135152174 | erot = 1.9027452432298 | epot = -12.4591957196962 | etot = -9.13334912494464 +605000 ekin = 1.43883447822476 | erot = 1.81030632011248 | epot = -12.382489923109 | etot = -9.13334912477176 +606000 ekin = 1.45673760095162 | erot = 1.71684240505004 | epot = -12.3069291305857 | etot = -9.13334912458401 +607000 ekin = 1.47529863713107 | erot = 1.6267229875319 | epot = -12.235370749066 | etot = -9.13334912440305 +608000 ekin = 1.49323166610301 | erot = 1.54399943869226 | epot = -12.1705802290357 | etot = -9.13334912424047 +609000 ekin = 1.50961256615701 | erot = 1.47208306434056 | epot = -12.1150447546074 | etot = -9.13334912410979 +610000 ekin = 1.52396039431294 | erot = 1.41350705715211 | epot = -12.07081657546 | etot = -9.13334912399491 +611000 ekin = 1.53622860047066 | erot = 1.36992443741294 | epot = -12.0395021618076 | etot = -9.13334912392405 +612000 ekin = 1.5466853662619 | erot = 1.34205362873082 | epot = -12.0220881189033 | etot = -9.13334912391059 +613000 ekin = 1.5557130969566 | erot = 1.32960894336052 | epot = -12.0186711642886 | etot = -9.13334912397147 +614000 ekin = 1.56356369221714 | erot = 1.33131277562629 | epot = -12.0282255919643 | etot = -9.13334912412092 +615000 ekin = 1.57013881826686 | erot = 1.3449453976181 | epot = -12.0484333402226 | etot = -9.13334912433764 +616000 ekin = 1.57485681903945 | erot = 1.36757312206294 | epot = -12.0757790657607 | etot = -9.13334912465831 +617000 ekin = 1.57672646781253 | erot = 1.39546251366803 | epot = -12.1055381065034 | etot = -9.13334912502289 +618000 ekin = 1.57456346737848 | erot = 1.42448013453603 | epot = -12.1323927272926 | etot = -9.13334912537807 +619000 ekin = 1.56732946470158 | erot = 1.45059208152816 | epot = -12.1512706718922 | etot = -9.13334912566249 +620000 ekin = 1.55451321753919 | erot = 1.47039334455609 | epot = -12.1582556879152 | etot = -9.13334912581989 +621000 ekin = 1.53644782338414 | erot = 1.48161304590982 | epot = -12.1514099951073 | etot = -9.13334912581332 +622000 ekin = 1.51447783518378 | erot = 1.48347710481945 | epot = -12.1313040656382 | etot = -9.13334912563501 +623000 ekin = 1.49092960733049 | erot = 1.47683215248909 | epot = -12.1011108851285 | etot = -9.13334912530896 +624000 ekin = 1.46886130170039 | erot = 1.4642219859157 | epot = -12.0664324125271 | etot = -9.13334912491099 +625000 ekin = 1.45155188812642 | erot = 1.44918251594291 | epot = -12.0340835285536 | etot = -9.13334912448426 +626000 ekin = 1.44224748157898 | erot = 1.4353339959176 | epot = -12.0109306015698 | etot = -9.13334912407321 +627000 ekin = 1.44381530879958 | erot = 1.42638005354778 | epot = -12.0035444860837 | etot = -9.13334912373637 +628000 ekin = 1.45833081620082 | erot = 1.42560824875229 | epot = -12.0172881884915 | etot = -9.13334912353836 +629000 ekin = 1.4867698553702 | erot = 1.43535417577129 | epot = -12.0554731546303 | etot = -9.13334912348884 +630000 ekin = 1.52866417049099 | erot = 1.45689184513512 | epot = -12.1189051392527 | etot = -9.1333491236266 +631000 ekin = 1.58193413338882 | erot = 1.49015054897646 | epot = -12.2054338063841 | etot = -9.13334912401885 +632000 ekin = 1.64234851055621 | erot = 1.53357750659019 | epot = -12.3092751416898 | etot = -9.13334912454337 +633000 ekin = 1.70466841197014 | erot = 1.58426390210209 | epot = -12.4222814392228 | etot = -9.13334912515061 +634000 ekin = 1.7631835469935 | erot = 1.63860587790712 | epot = -12.5351385506359 | etot = -9.13334912573525 +635000 ekin = 1.8124262503478 | erot = 1.69306627320784 | epot = -12.6388416497418 | etot = -9.13334912618614 +636000 ekin = 1.84805557838125 | erot = 1.74492785470201 | epot = -12.7263325594989 | etot = -9.13334912641569 +637000 ekin = 1.86755595284743 | erot = 1.79286465559366 | epot = -12.7937697348525 | etot = -9.13334912641142 +638000 ekin = 1.87047357468798 | erot = 1.83697965057525 | epot = -12.8408023514712 | etot = -9.13334912620798 +639000 ekin = 1.85817220593296 | erot = 1.87849437006716 | epot = -12.8700157018825 | etot = -9.13334912588239 +640000 ekin = 1.83325502874934 | erot = 1.91930247136692 | epot = -12.8859066256304 | etot = -9.13334912551417 +641000 ekin = 1.79889805051557 | erot = 1.96149522932338 | epot = -12.893742404998 | etot = -9.13334912515906 +642000 ekin = 1.75833330344904 | erot = 2.00701454517244 | epot = -12.8986969734775 | etot = -9.133349124856 +643000 ekin = 1.71452400738663 | erot = 2.05742054585165 | epot = -12.9052936778351 | etot = -9.13334912459681 +644000 ekin = 1.67006045206701 | erot = 2.11379950766718 | epot = -12.9172090841657 | etot = -9.1333491244315 +645000 ekin = 1.62710169193798 | erot = 2.17652829047829 | epot = -12.936979106775 | etot = -9.13334912435878 +646000 ekin = 1.58731920571204 | erot = 2.24499987972367 | epot = -12.9656682098073 | etot = -9.13334912437156 +647000 ekin = 1.5519287985014 | erot = 2.31774723145759 | epot = -13.0030251544529 | etot = -9.13334912449392 +648000 ekin = 1.52155547404613 | erot = 2.39216849405126 | epot = -13.0470730928269 | etot = -9.13334912472954 +649000 ekin = 1.49615701172709 | erot = 2.46459269466492 | epot = -13.0940988314686 | etot = -9.13334912507659 +650000 ekin = 1.474958204083 | erot = 2.53042613107551 | epot = -13.1387334606789 | etot = -9.13334912552037 +651000 ekin = 1.45644758276087 | erot = 2.58442104122293 | epot = -13.1742177500129 | etot = -9.1333491260291 +652000 ekin = 1.43848054670287 | erot = 2.62109720355956 | epot = -13.1929268768105 | etot = -9.13334912654803 +653000 ekin = 1.41853538646939 | erot = 2.63533318879064 | epot = -13.1872177022588 | etot = -9.13334912699876 +654000 ekin = 1.39414099594885 | erot = 2.62311445987543 | epot = -13.1506045831169 | etot = -9.13334912729267 +655000 ekin = 1.36342278664737 | erot = 2.58232798191585 | epot = -13.0790998958952 | etot = -9.13334912733202 +656000 ekin = 1.32754554560149 | erot = 2.51343997306709 | epot = -12.974334644813 | etot = -9.1333491261444 +657000 ekin = 1.0773875979315 | erot = 2.44669612963509 | epot = -12.6574327808011 | etot = -9.13334905323452 +658000 ekin = 1.0065201423019 | erot = 2.49084781647133 | epot = -12.6307170433323 | etot = -9.13334908455911 +659000 ekin = 1.07240085017882 | erot = 2.42929901831716 | epot = -12.6350489837836 | etot = -9.13334911528764 +660000 ekin = 1.09381648980894 | erot = 2.30102308261805 | epot = -12.5281886879237 | etot = -9.13334911549675 +661000 ekin = 1.11701334338068 | erot = 2.16959631554352 | epot = -12.4199587738197 | etot = -9.13334911489549 +662000 ekin = 1.14263894058022 | erot = 2.04231481245904 | epot = -12.3183028674896 | etot = -9.1333491144503 +663000 ekin = 1.17093665277086 | erot = 1.92510458369842 | epot = -12.2293903506468 | etot = -9.13334911417751 +664000 ekin = 1.20146324496785 | erot = 1.82207009510998 | epot = -12.1568824541679 | etot = -9.13334911409009 +665000 ekin = 1.23289032447881 | erot = 1.73564836427755 | epot = -12.1018878027987 | etot = -9.13334911404235 +666000 ekin = 1.26340464455085 | erot = 1.66702592668226 | epot = -12.063779685498 | etot = -9.13334911426491 +667000 ekin = 1.2910257481443 | erot = 1.61488086820513 | epot = -12.0392557309138 | etot = -9.13334911456438 +668000 ekin = 1.31376054134743 | erot = 1.57649712773723 | epot = -12.0236067839922 | etot = -9.13334911490756 +669000 ekin = 1.32989404565269 | erot = 1.54828621181597 | epot = -12.0115293726986 | etot = -9.1333491152299 +670000 ekin = 1.33826340890556 | erot = 1.5264084479746 | epot = -11.9980209723666 | etot = -9.13334911548643 +671000 ekin = 1.33847461323153 | erot = 1.50724764864793 | epot = -11.9790713775219 | etot = -9.1333491156424 +672000 ekin = 1.33101969554493 | erot = 1.48781306139196 | epot = -11.9521818726168 | etot = -9.13334911567988 +673000 ekin = 1.31737035051004 | erot = 1.46610228053022 | epot = -11.9168217466032 | etot = -9.13334911556297 +674000 ekin = 1.29992521798033 | erot = 1.44131241760729 | epot = -11.8745867509649 | etot = -9.13334911537732 +675000 ekin = 1.28129254582364 | erot = 1.41347048294498 | epot = -11.8281121439057 | etot = -9.13334911513707 +676000 ekin = 1.26413925333592 | erot = 1.38336835396545 | epot = -11.7808567221882 | etot = -9.13334911488686 +677000 ekin = 1.25080949629856 | erot = 1.35227525692428 | epot = -11.7364338679149 | etot = -9.1333491146921 +678000 ekin = 1.24240325883756 | erot = 1.32122246363638 | epot = -11.6969748370326 | etot = -9.13334911455865 +679000 ekin = 1.23935164124627 | erot = 1.29124446461099 | epot = -11.663945220357 | etot = -9.1333491144997 +680000 ekin = 1.24151057851555 | erot = 1.26358348831348 | epot = -11.6384431811757 | etot = -9.13334911434665 +681000 ekin = 1.24810791985181 | erot = 1.2399896630051 | epot = -11.6214466973234 | etot = -9.1333491144665 +682000 ekin = 1.2573808847233 | erot = 1.22073219170823 | epot = -11.6114621910621 | etot = -9.13334911463059 +683000 ekin = 1.2671525486385 | erot = 1.20554909695207 | epot = -11.6060507604014 | etot = -9.13334911481088 +684000 ekin = 1.27521936884053 | erot = 1.19392995256927 | epot = -11.6024984363892 | etot = -9.13334911497939 +685000 ekin = 1.27965818657722 | erot = 1.18525667281445 | epot = -11.5982639744963 | etot = -9.13334911510462 +686000 ekin = 1.27906445706303 | erot = 1.17887846191199 | epot = -11.5912920341667 | etot = -9.13334911519169 +687000 ekin = 1.2726826175371 | erot = 1.17407129022534 | epot = -11.5801030230234 | etot = -9.13334911526098 +688000 ekin = 1.26041914406367 | erot = 1.17007604783822 | epot = -11.5638443071308 | etot = -9.13334911522896 +689000 ekin = 1.24287938495264 | erot = 1.16656725574657 | epot = -11.5427957558574 | etot = -9.1333491151582 +690000 ekin = 1.22118240404667 | erot = 1.16336387131456 | epot = -11.5178953904217 | etot = -9.13334911506044 +691000 ekin = 1.1967986722508 | erot = 1.16037339233334 | epot = -11.4905211795314 | etot = -9.1333491149473 +692000 ekin = 1.17139142555375 | erot = 1.15758648593269 | epot = -11.4623270263152 | etot = -9.13334911482871 +693000 ekin = 1.14685376597224 | erot = 1.15519232867544 | epot = -11.4353952091894 | etot = -9.13334911454167 +694000 ekin = 1.12537035278714 | erot = 1.15368599836412 | epot = -11.4124054656051 | etot = -9.13334911445381 +695000 ekin = 1.10824764597523 | erot = 1.15324052660646 | epot = -11.394837286965 | etot = -9.13334911438336 +696000 ekin = 1.09641524899192 | erot = 1.15407441364768 | epot = -11.3838387769754 | etot = -9.13334911433576 +697000 ekin = 1.09040706959839 | erot = 1.15645735234543 | epot = -11.3802135362623 | etot = -9.13334911431848 +698000 ekin = 1.09030542376286 | erot = 1.16063392710773 | epot = -11.3842884652002 | etot = -9.1333491143296 +699000 ekin = 1.09552536142002 | erot = 1.1666963994192 | epot = -11.3955708752025 | etot = -9.13334911436329 +700000 ekin = 1.1052737980322 | erot = 1.17478862116005 | epot = -11.4134115336292 | etot = -9.13334911443695 +701000 ekin = 1.11851271408142 | erot = 1.1849247094831 | epot = -11.4367865380899 | etot = -9.13334911452537 +702000 ekin = 1.13395549372733 | erot = 1.1969466725183 | epot = -11.4642512808767 | etot = -9.13334911463104 +703000 ekin = 1.15018285433259 | erot = 1.21057055971515 | epot = -11.4941025287932 | etot = -9.1333491147455 +704000 ekin = 1.16576673457825 | erot = 1.22535908060284 | epot = -11.5244749300396 | etot = -9.13334911485848 +705000 ekin = 1.17938915503441 | erot = 1.24076765314222 | epot = -11.5535059231357 | etot = -9.13334911495904 +706000 ekin = 1.18994261306284 | erot = 1.25622348494784 | epot = -11.5795152130472 | etot = -9.13334911503652 +707000 ekin = 1.19660107195477 | erot = 1.271227802675 | epot = -11.601177989712 | etot = -9.13334911508227 +708000 ekin = 1.19885615186669 | erot = 1.28546332267847 | epot = -11.617668589636 | etot = -9.13334911509088 +709000 ekin = 1.19651981509465 | erot = 1.29888532038639 | epot = -11.628754250542 | etot = -9.13334911506097 +710000 ekin = 1.1896995749713 | erot = 1.31177606554571 | epot = -11.6348247555125 | etot = -9.13334911499551 +711000 ekin = 1.1787538760285 | erot = 1.32474791483293 | epot = -11.6368509057635 | etot = -9.13334911490209 +712000 ekin = 1.16423391783903 | erot = 1.3386894522939 | epot = -11.6362724849244 | etot = -9.13334911479145 +713000 ekin = 1.14681758773111 | erot = 1.35466305350948 | epot = -11.6348297559194 | etot = -9.13334911467886 +714000 ekin = 1.1272417359068 | erot = 1.37373509014029 | epot = -11.6343259406256 | etot = -9.13334911457847 +715000 ekin = 1.10624050749987 | erot = 1.39681075797674 | epot = -11.6364003799808 | etot = -9.13334911450423 +716000 ekin = 1.08449847088991 | erot = 1.42446438144424 | epot = -11.6423119668015 | etot = -9.13334911446732 +717000 ekin = 1.06262586730289 | erot = 1.45678801962933 | epot = -11.6527630014069 | etot = -9.13334911447464 +718000 ekin = 1.04116056517779 | erot = 1.49328580498838 | epot = -11.6677954846927 | etot = -9.13334911452649 +719000 ekin = 1.02059756446672 | erot = 1.53283565406445 | epot = -11.6867823331474 | etot = -9.13334911461623 +720000 ekin = 1.00144276091342 | erot = 1.57373478107647 | epot = -11.7085266567203 | etot = -9.13334911473045 +721000 ekin = 0.984282698239534 | erot = 1.61383653730909 | epot = -11.7314683503984 | etot = -9.13334911484977 +722000 ekin = 0.969856334573777 | erot = 1.65076935458572 | epot = -11.7539748041154 | etot = -9.1333491149559 +723000 ekin = 0.959109074095258 | erot = 1.6821909054059 | epot = -11.774649094524 | etot = -9.13334911502286 +724000 ekin = 0.953206498551327 | erot = 1.70610525280051 | epot = -11.7926608663905 | etot = -9.13334911503871 +725000 ekin = 0.953487871457424 | erot = 1.72112406445021 | epot = -11.8079610509069 | etot = -9.13334911499926 +726000 ekin = 0.961348420447325 | erot = 1.72664218756103 | epot = -11.8213397229212 | etot = -9.13334911491282 +727000 ekin = 0.978055186997788 | erot = 1.7229032003249 | epot = -11.8343075021199 | etot = -9.13334911479722 +728000 ekin = 1.00452582497494 | erot = 1.71095374106883 | epot = -11.8488286807179 | etot = -9.13334911467413 +729000 ekin = 1.04110137579694 | erot = 1.69252215340574 | epot = -11.8669726437725 | etot = -9.13334911456981 +730000 ekin = 1.08735958690082 | erot = 1.66981008957716 | epot = -11.8905187909853 | etot = -9.13334911450737 +731000 ekin = 1.14200418374795 | erot = 1.64524141705747 | epot = -11.92059471531 | etot = -9.13334911450463 +732000 ekin = 1.20285318013947 | erot = 1.6211909571287 | epot = -11.9573932518406 | etot = -9.13334911457241 +733000 ekin = 1.26692596391162 | erot = 1.5997652890967 | epot = -12.0000403677124 | etot = -9.13334911470405 +734000 ekin = 1.33064406417666 | erot = 1.58254289880322 | epot = -12.0465360778896 | etot = -9.13334911490977 +735000 ekin = 1.39013484388142 | erot = 1.57032898633065 | epot = -12.0938129453729 | etot = -9.13334911516086 +736000 ekin = 1.4415750913924 | erot = 1.56317476788441 | epot = -12.1380989747062 | etot = -9.13334911542938 +737000 ekin = 1.4815784558939 | erot = 1.56044545881345 | epot = -12.1753730303861 | etot = -9.13334911567875 +738000 ekin = 1.50757504377756 | erot = 1.56100911666917 | epot = -12.2019332763167 | etot = -9.13334911586997 +739000 ekin = 1.51813561812094 | erot = 1.56352092529369 | epot = -12.2150056593822 | etot = -9.13334911596754 +740000 ekin = 1.51318914849053 | erot = 1.56675183784939 | epot = -12.213290102287 | etot = -9.13334911594711 +741000 ekin = 1.49408865829905 | erot = 1.56989906103909 | epot = -12.1973368351391 | etot = -9.13334911580091 +742000 ekin = 1.46350061535481 | erot = 1.57280025700558 | epot = -12.1696499879032 | etot = -9.13334911554281 +743000 ekin = 1.42512524133773 | erot = 1.57593310600599 | epot = -12.1344074625124 | etot = -9.13334911516871 +744000 ekin = 1.38338487585256 | erot = 1.58054361278157 | epot = -12.0972776034327 | etot = -9.13334911479862 +745000 ekin = 1.34281951274 | erot = 1.58823582840464 | epot = -12.0644044556012 | etot = -9.13334911445656 +746000 ekin = 1.30747334765452 | erot = 1.60047096980675 | epot = -12.0412934316601 | etot = -9.13334911419886 +747000 ekin = 1.28046646005585 | erot = 1.61821768665649 | epot = -12.0320332608062 | etot = -9.1333491140939 +748000 ekin = 1.26367955923824 | erot = 1.64132893143325 | epot = -12.0383576048425 | etot = -9.13334911417101 +749000 ekin = 1.25742934420247 | erot = 1.66831440024385 | epot = -12.0590928588851 | etot = -9.1333491144388 +750000 ekin = 1.26047795508088 | erot = 1.69628448614714 | epot = -12.0901115560798 | etot = -9.1333491148518 +751000 ekin = 1.27026186447405 | erot = 1.72133386885978 | epot = -12.1249448486747 | etot = -9.13334911534087 +752000 ekin = 1.28339547086619 | erot = 1.73919075505813 | epot = -12.1559353417341 | etot = -9.13334911580981 +753000 ekin = 1.29635957466858 | erot = 1.74596876191937 | epot = -12.1756774528081 | etot = -9.13334911622012 +754000 ekin = 1.305991587411 | erot = 1.73885024063304 | epot = -12.1781909444331 | etot = -9.13334911638902 +755000 ekin = 1.31024888116247 | erot = 1.71683511468109 | epot = -12.1604331121857 | etot = -9.13334911634218 +756000 ekin = 1.30846938321578 | erot = 1.68097972249515 | epot = -12.1227982218035 | etot = -9.13334911609258 +757000 ekin = 1.30124985041401 | erot = 1.63419006476408 | epot = -12.0687890308681 | etot = -9.13334911569 +758000 ekin = 1.29019641090511 | erot = 1.58073563388873 | epot = -12.004281159999 | etot = -9.13334911520514 +759000 ekin = 1.27761222227597 | erot = 1.52554636406335 | epot = -11.9365077010389 | etot = -9.13334911469955 +760000 ekin = 1.26609069506725 | erot = 1.47348693038405 | epot = -11.872926739711 | etot = -9.13334911425972 +761000 ekin = 1.25808964011594 | erot = 1.42869550462338 | epot = -11.8201342586639 | etot = -9.13334911392455 +762000 ekin = 1.25572222200511 | erot = 1.39407442311129 | epot = -11.783145758866 | etot = -9.13334911374965 +763000 ekin = 1.26054534569688 | erot = 1.37090045943945 | epot = -11.7647949188328 | etot = -9.1333491136965 +764000 ekin = 1.27353435439888 | erot = 1.35887199086076 | epot = -11.7657554590522 | etot = -9.13334911379256 +765000 ekin = 1.29496682599825 | erot = 1.35616457697877 | epot = -11.7844805169708 | etot = -9.13334911399382 +766000 ekin = 1.32454629042115 | erot = 1.35977679502513 | epot = -11.8176721997104 | etot = -9.13334911426407 +767000 ekin = 1.36163954271771 | erot = 1.36618632223442 | epot = -11.861174979508 | etot = -9.13334911455588 +768000 ekin = 1.40531019892517 | erot = 1.37181010082903 | epot = -11.9104694145842 | etot = -9.13334911482995 +769000 ekin = 1.4544651286899 | erot = 1.37353498050634 | epot = -11.9613492242376 | etot = -9.1333491150414 +770000 ekin = 1.50793050152265 | erot = 1.36921125649153 | epot = -12.0104908732514 | etot = -9.1333491152372 +771000 ekin = 1.56389616693309 | erot = 1.35775090660432 | epot = -12.0549961887964 | etot = -9.13334911525901 +772000 ekin = 1.62113703504511 | erot = 1.3397032350436 | epot = -12.0941893852785 | etot = -9.13334911518981 +773000 ekin = 1.67872851569553 | erot = 1.31702982988342 | epot = -12.1291074606422 | etot = -9.13334911506325 +774000 ekin = 1.7356925710885 | erot = 1.29264163249809 | epot = -12.1616833185099 | etot = -9.13334911492332 +775000 ekin = 1.79085656133578 | erot = 1.26988000051448 | epot = -12.1940856766627 | etot = -9.13334911481246 +776000 ekin = 1.84276100468205 | erot = 1.25197534037568 | epot = -12.2280854598173 | etot = -9.13334911475961 +777000 ekin = 1.88967118603722 | erot = 1.24159765891101 | epot = -12.2646179597212 | etot = -9.13334911477299 +778000 ekin = 1.92971622260643 | erot = 1.24057583214232 | epot = -12.3036411695905 | etot = -9.1333491148417 +779000 ekin = 1.96113164254841 | erot = 1.24980912493202 | epot = -12.3442898824219 | etot = -9.13334911494147 +780000 ekin = 1.98254203386216 | erot = 1.26932045666817 | epot = -12.385211605575 | etot = -9.13334911504462 +781000 ekin = 1.99321406405672 | erot = 1.29840823518498 | epot = -12.4249714143722 | etot = -9.13334911513049 +782000 ekin = 1.99321095940753 | erot = 1.33580885492049 | epot = -12.4623689295169 | etot = -9.13334911518889 +783000 ekin = 1.98342491293452 | erot = 1.37983642298362 | epot = -12.4966104511367 | etot = -9.13334911521853 +784000 ekin = 1.96551238429987 | erot = 1.42849371621254 | epot = -12.5273552156832 | etot = -9.1333491151708 +785000 ekin = 1.94195910112018 | erot = 1.47961348821827 | epot = -12.5549217045005 | etot = -9.1333491151621 +786000 ekin = 1.91549982326101 | erot = 1.53087711626749 | epot = -12.5797260546654 | etot = -9.13334911513693 +787000 ekin = 1.88902915933146 | erot = 1.57997565975786 | epot = -12.6023539341832 | etot = -9.13334911509392 +788000 ekin = 1.86553746554079 | erot = 1.62478646025308 | epot = -12.6236730408322 | etot = -9.13334911503829 +789000 ekin = 1.84793067284234 | erot = 1.66350572426619 | epot = -12.6447855120735 | etot = -9.13334911496502 +790000 ekin = 1.83884831412187 | erot = 1.69477325871876 | epot = -12.6669706877359 | etot = -9.13334911489531 +791000 ekin = 1.84038435201513 | erot = 1.71768127848726 | epot = -12.6914147453586 | etot = -9.13334911485621 +792000 ekin = 1.85374621231265 | erot = 1.73169683790606 | epot = -12.7187921650974 | etot = -9.13334911487869 +793000 ekin = 1.87892178729741 | erot = 1.73653576924417 | epot = -12.7488066715284 | etot = -9.13334911498679 +794000 ekin = 1.91440510045496 | erot = 1.73204169928189 | epot = -12.7797959149166 | etot = -9.13334911517973 +795000 ekin = 1.95726697872503 | erot = 1.71818976217653 | epot = -12.8088058563231 | etot = -9.13334911542157 +796000 ekin = 2.0036085177973 | erot = 1.6952533545941 | epot = -12.8322109880401 | etot = -9.13334911564871 +797000 ekin = 2.04914358120449 | erot = 1.66405946742086 | epot = -12.8465521644162 | etot = -9.13334911579087 +798000 ekin = 2.08995546227467 | erot = 1.62623745952773 | epot = -12.849542037606 | etot = -9.13334911580362 +799000 ekin = 2.12309292251187 | erot = 1.58427028116486 | epot = -12.8407123193644 | etot = -9.13334911568768 +800000 ekin = 2.14682990847441 | erot = 1.5412613855955 | epot = -12.8214404095528 | etot = -9.13334911548289 +801000 ekin = 2.16058282772631 | erot = 1.50048202047263 | epot = -12.7944139634459 | etot = -9.13334911524694 +802000 ekin = 2.16461511109248 | erot = 1.46486615503018 | epot = -12.7628303811541 | etot = -9.13334911503146 +803000 ekin = 2.15969104316299 | erot = 1.436613354422 | epot = -12.7296535124545 | etot = -9.13334911486954 +804000 ekin = 2.14679128687703 | erot = 1.41698988508254 | epot = -12.6971302867198 | etot = -9.1333491147602 +805000 ekin = 2.12692065943749 | erot = 1.40638520514779 | epot = -12.6666549793107 | etot = -9.1333491147254 +806000 ekin = 2.10099028263278 | erot = 1.40422932574972 | epot = -12.6385687231443 | etot = -9.1333491147618 +807000 ekin = 2.06982763841615 | erot = 1.40909451158558 | epot = -12.612271264841 | etot = -9.13334911483923 +808000 ekin = 2.03419092297578 | erot = 1.41919422166642 | epot = -12.5867342595721 | etot = -9.13334911492987 +809000 ekin = 1.99478586655788 | erot = 1.43238858340864 | epot = -12.5605235650204 | etot = -9.13334911505391 +810000 ekin = 1.95230744546468 | erot = 1.44625258192789 | epot = -12.531909142569 | etot = -9.13334911517639 +811000 ekin = 1.90747094188594 | erot = 1.45847148723389 | epot = -12.4992915444039 | etot = -9.13334911528412 +812000 ekin = 1.86102893102468 | erot = 1.46703963548491 | epot = -12.461417681874 | etot = -9.13334911536441 +813000 ekin = 1.81416432243396 | erot = 1.47049868907499 | epot = -12.4180121266462 | etot = -9.13334911513727 +814000 ekin = 1.76902926167497 | erot = 1.46826739311181 | epot = -12.3706457700733 | etot = -9.13334911528648 +815000 ekin = 1.71533069952261 | erot = 1.45797598424312 | epot = -12.3066557947912 | etot = -9.13334911102542 +816000 ekin = 1.68468183703031 | erot = 1.4393594201938 | epot = -12.2573903676328 | etot = -9.13334911040871 +817000 ekin = 1.67569540451555 | erot = 1.4202275919316 | epot = -12.2292721045969 | etot = -9.1333491081497 +818000 ekin = 1.65431804078353 | erot = 1.40071144600215 | epot = -12.1883785945476 | etot = -9.13334910776196 +819000 ekin = 1.63740188371294 | erot = 1.38256931717014 | epot = -12.1533203082699 | etot = -9.13334910738683 +820000 ekin = 1.62512170450313 | erot = 1.36928168853244 | epot = -12.1277525000606 | etot = -9.13334910702506 +821000 ekin = 1.61915909097285 | erot = 1.36404110716291 | epot = -12.1165493048444 | etot = -9.13334910670864 +822000 ekin = 1.6217234397592 | erot = 1.36925913748176 | epot = -12.1243316837597 | etot = -9.13334910651875 +823000 ekin = 1.63427494812447 | erot = 1.38616632191162 | epot = -12.1537903765462 | etot = -9.13334910651009 +824000 ekin = 1.6569838261775 | erot = 1.41459711185629 | epot = -12.2049300447278 | etot = -9.13334910669403 +825000 ekin = 1.68854753273286 | erot = 1.45301631841967 | epot = -12.274912958192 | etot = -9.13334910703944 +826000 ekin = 1.72638863495672 | erot = 1.49875661579725 | epot = -12.3584943582431 | etot = -9.13334910748916 +827000 ekin = 1.76710423380397 | erot = 1.54839439234335 | epot = -12.4488477341246 | etot = -9.13334910797724 +828000 ekin = 1.80698482333775 | erot = 1.59818184901415 | epot = -12.5385157807975 | etot = -9.13334910844559 +829000 ekin = 1.84246939970021 | erot = 1.64447465718115 | epot = -12.6202931657278 | etot = -9.13334910884642 +830000 ekin = 1.87048980343534 | erot = 1.6841293343913 | epot = -12.6879682469682 | etot = -9.1333491091416 +831000 ekin = 1.88871335828166 | erot = 1.71486645418171 | epot = -12.7369289217645 | etot = -9.13334910930117 +832000 ekin = 1.89569916792162 | erot = 1.73558694752007 | epot = -12.7646352247477 | etot = -9.13334910930601 +833000 ekin = 1.89096344935954 | erot = 1.74659447552026 | epot = -12.7709070340352 | etot = -9.13334910915537 +834000 ekin = 1.87493429545157 | erot = 1.74964392180517 | epot = -12.7579273261474 | etot = -9.13334910889062 +835000 ekin = 1.84878280514366 | erot = 1.74762027308112 | epot = -12.7297521867504 | etot = -9.13334910852562 +836000 ekin = 1.81414476909689 | erot = 1.74421722088709 | epot = -12.6917110981255 | etot = -9.13334910814155 +837000 ekin = 1.77277875467446 | erot = 1.74335285139409 | epot = -12.6494807138737 | etot = -9.13334910780514 +838000 ekin = 1.72624445531579 | erot = 1.74841404792436 | epot = -12.608007610808 | etot = -9.13334910756784 +839000 ekin = 1.67568816110983 | erot = 1.76165550554219 | epot = -12.5706927741085 | etot = -9.13334910745645 +840000 ekin = 1.62179135099634 | erot = 1.78387657045585 | epot = -12.5390170289096 | etot = -9.13334910745744 +841000 ekin = 1.56488441151472 | erot = 1.81456573942431 | epot = -12.5127992584783 | etot = -9.13334910753923 +842000 ekin = 1.50517399563221 | erot = 1.8520564586452 | epot = -12.490579561976 | etot = -9.13334910769857 +843000 ekin = 1.44300548284182 | erot = 1.89358112521869 | epot = -12.4699357158682 | etot = -9.1333491078077 +844000 ekin = 1.37906620631093 | erot = 1.93639685185858 | epot = -12.4488121660417 | etot = -9.13334910787217 +845000 ekin = 1.31446352833354 | erot = 1.97812996435952 | epot = -12.4259426005654 | etot = -9.13334910787236 +846000 ekin = 1.25068692329396 | erot = 2.01700234953182 | epot = -12.4010383806301 | etot = -9.13334910780431 +847000 ekin = 1.18947724707884 | erot = 2.05204320491269 | epot = -12.374869559668 | etot = -9.13334910767643 +848000 ekin = 1.13265732504607 | erot = 2.0831473327768 | epot = -12.3491537653283 | etot = -9.13334910750544 +849000 ekin = 1.0819765776984 | erot = 2.11099249694196 | epot = -12.326318181951 | etot = -9.13334910731063 +850000 ekin = 1.03899924537856 | erot = 2.13684654284089 | epot = -12.3091948953332 | etot = -9.13334910711374 +851000 ekin = 1.00503792489494 | erot = 2.16230618698725 | epot = -12.3006932188177 | etot = -9.13334910693551 +852000 ekin = 0.981116857869898 | erot = 2.18901371772944 | epot = -12.303479682393 | etot = -9.13334910679369 +853000 ekin = 0.967947652221222 | erot = 2.21839549971848 | epot = -12.3196922586439 | etot = -9.13334910670417 +854000 ekin = 0.965908910686802 | erot = 2.25145766400248 | epot = -12.3507156813638 | etot = -9.13334910667455 +855000 ekin = 0.975031148290994 | erot = 2.28866143867577 | epot = -12.3970416936738 | etot = -9.13334910670709 +856000 ekin = 0.994993726116945 | erot = 2.32988587265759 | epot = -12.4582287055722 | etot = -9.13334910679762 +857000 ekin = 1.02514000045915 | erot = 2.37447147763714 | epot = -12.5329605850328 | etot = -9.13334910693653 +858000 ekin = 1.06451194043047 | erot = 2.42132581263365 | epot = -12.6191868601752 | etot = -9.13334910711109 +859000 ekin = 1.11189872921075 | erot = 2.46906217646551 | epot = -12.714310012985 | etot = -9.1333491073087 +860000 ekin = 1.16588800432665 | erot = 2.51613734357055 | epot = -12.8153744554171 | etot = -9.13334910751989 +861000 ekin = 1.22490604809667 | erot = 2.56095681693176 | epot = -12.9192119727686 | etot = -9.13334910774017 +862000 ekin = 1.28723632580447 | erot = 2.60192847236029 | epot = -13.022513906136 | etot = -9.13334910797121 +863000 ekin = 1.35101431938041 | erot = 2.63746581474908 | epot = -13.1218292423466 | etot = -9.13334910821708 +864000 ekin = 1.41420820518429 | erot = 2.66596355874352 | epot = -13.2135208724088 | etot = -9.13334910848103 +865000 ekin = 1.47460562928546 | erot = 2.68578195464374 | epot = -13.2937366926903 | etot = -9.13334910876114 +866000 ekin = 1.5298330372055 | erot = 2.69527584727798 | epot = -13.3584579935299 | etot = -9.13334910904638 +867000 ekin = 1.57743376516636 | erot = 2.69288933097043 | epot = -13.4036722054528 | etot = -9.13334910931604 +868000 ekin = 1.61502389037206 | erot = 2.67731200501669 | epot = -13.4256850049295 | etot = -9.13334910954074 +869000 ekin = 1.64053051308178 | erot = 2.64766625528912 | epot = -13.421545878058 | etot = -9.13334910968713 +870000 ekin = 1.65249590025136 | erot = 2.60367561917437 | epot = -13.38952062915 | etot = -9.13334910972428 +871000 ekin = 1.65040511754078 | erot = 2.54576053415582 | epot = -13.329514761328 | etot = -9.1333491096314 +872000 ekin = 1.63497077371293 | erot = 2.47502461264468 | epot = -13.2433444957612 | etot = -9.13334910940362 +873000 ekin = 1.6082955108688 | erot = 2.39312864672026 | epot = -13.1347732666444 | etot = -9.13334910905533 +874000 ekin = 1.57383856498408 | erot = 2.30208675137097 | epot = -13.0092744249747 | etot = -9.13334910861963 +875000 ekin = 1.53613967513203 | erot = 2.20404109165622 | epot = -12.8735298749335 | etot = -9.13334910814528 +876000 ekin = 1.50030007472214 | erot = 2.10106901469196 | epot = -12.7347181971036 | etot = -9.13334910768948 +877000 ekin = 1.47128183650777 | erot = 1.99505592487523 | epot = -12.5996868686917 | etot = -9.13334910730873 +878000 ekin = 1.45315269235532 | erot = 1.88764504254126 | epot = -12.4741468419429 | etot = -9.13334910704632 +879000 ekin = 1.44845009593015 | erot = 1.78026193725074 | epot = -12.3620611401013 | etot = -9.13334910692044 +880000 ekin = 1.4578339719455 | erot = 1.67420503622086 | epot = -12.2653881150852 | etot = -9.13334910691887 +881000 ekin = 1.48012455416734 | erot = 1.57078382964406 | epot = -12.184257490814 | etot = -9.13334910700256 +882000 ekin = 1.51270015736882 | erot = 1.47147015192399 | epot = -12.1175194164123 | etot = -9.13334910711945 +883000 ekin = 1.5521156829147 | erot = 1.37801244882999 | epot = -12.0634772389667 | etot = -9.13334910722205 +884000 ekin = 1.59475301549298 | erot = 1.29246300162939 | epot = -12.0205651244028 | etot = -9.13334910728044 +885000 ekin = 1.63734681491783 | erot = 1.21709221485172 | epot = -11.9877881370549 | etot = -9.13334910728538 +886000 ekin = 1.67731211299644 | erot = 1.15420415260496 | epot = -11.9648653728463 | etot = -9.13334910724494 +887000 ekin = 1.71288068345002 | erot = 1.10590165063891 | epot = -11.9521314412646 | etot = -9.13334910717564 +888000 ekin = 1.74309500656368 | erot = 1.07385834531183 | epot = -11.9503024589727 | etot = -9.13334910709715 +889000 ekin = 1.76770969090686 | erot = 1.05913784424623 | epot = -11.9601966421816 | etot = -9.13334910702852 +890000 ekin = 1.7870324099566 | erot = 1.06207375035493 | epot = -11.9824552673 | etot = -9.13334910698845 +891000 ekin = 1.80172329224281 | erot = 1.08220747466598 | epot = -12.0172798739023 | etot = -9.13334910699346 +892000 ekin = 1.81257293682221 | erot = 1.1182805801851 | epot = -12.064202624064 | etot = -9.13334910705668 +893000 ekin = 1.82028982711125 | erot = 1.1682876962526 | epot = -12.1219266305453 | etot = -9.13334910718146 +894000 ekin = 1.82533649727985 | erot = 1.22960280171713 | epot = -12.1882884063585 | etot = -9.13334910736153 +895000 ekin = 1.82785071659378 | erot = 1.29918775471206 | epot = -12.2603875788826 | etot = -9.13334910757676 +896000 ekin = 1.82766966747854 | erot = 1.37387583336296 | epot = -12.334894608639 | etot = -9.13334910779752 +897000 ekin = 1.82444603808238 | erot = 1.45069893543995 | epot = -12.4084940815129 | etot = -9.13334910799056 +898000 ekin = 1.81781661005979 | erot = 1.52720356356028 | epot = -12.4783692817479 | etot = -9.1333491081278 +899000 ekin = 1.80756915109739 | erot = 1.60168843028089 | epot = -12.5426066895719 | etot = -9.1333491081936 +900000 ekin = 1.79375843956086 | erot = 1.67330364930568 | epot = -12.6004111970559 | etot = -9.13334910818937 +901000 ekin = 1.77674318476137 | erot = 1.74197941464808 | epot = -12.652071707542 | etot = -9.13334910813253 +902000 ekin = 1.75714245728773 | erot = 1.80819394407498 | epot = -12.6986855094148 | etot = -9.13334910805206 +903000 ekin = 1.73573344441431 | erot = 1.87263325990667 | epot = -12.741715812301 | etot = -9.13334910798001 +904000 ekin = 1.7133262590842 | erot = 1.93582474192346 | epot = -12.7825001089509 | etot = -9.13334910794324 +905000 ekin = 1.69065428570201 | erot = 1.9978324843968 | epot = -12.8218358780553 | etot = -9.13334910795651 +906000 ekin = 1.66831072855916 | erot = 2.05808381417767 | epot = -12.8597436507574 | etot = -9.13334910802061 +907000 ekin = 1.64674588303716 | erot = 2.11535919821792 | epot = -12.8954541893759 | etot = -9.13334910812081 +908000 ekin = 1.62631907113886 | erot = 2.16793324010528 | epot = -12.9276014194796 | etot = -9.13334910823546 +909000 ekin = 1.60738004100335 | erot = 2.2138158198134 | epot = -12.9545449691584 | etot = -9.13334910834161 +910000 ekin = 1.5903440249144 | erot = 2.25102295599297 | epot = -12.9747160893297 | etot = -9.13334910842234 +911000 ekin = 1.57572782711049 | erot = 2.27781488081455 | epot = -12.9868918163941 | etot = -9.13334910846902 +912000 ekin = 1.56413054683393 | erot = 2.29287003003197 | epot = -12.990349685346 | etot = -9.13334910848011 +913000 ekin = 1.55616398737689 | erot = 2.2953998333346 | epot = -12.9849129291698 | etot = -9.13334910845829 +914000 ekin = 1.55235379274254 | erot = 2.28522760386261 | epot = -12.970930505012 | etot = -9.13334910840683 +915000 ekin = 1.5530363607569 | erot = 2.2628450869647 | epot = -12.9492305560514 | etot = -9.13334910832976 +916000 ekin = 1.55827003373003 | erot = 2.22943339360228 | epot = -12.9210525355656 | etot = -9.13334910823328 +917000 ekin = 1.56776924055464 | erot = 2.18681551598354 | epot = -12.8879338646662 | etot = -9.13334910812807 +918000 ekin = 1.58086450735197 | erot = 2.13731406706442 | epot = -12.851527682446 | etot = -9.13334910802957 +919000 ekin = 1.59649190921053 | erot = 2.0835190789399 | epot = -12.8133600961043 | etot = -9.13334910795384 +920000 ekin = 1.61321892883084 | erot = 2.02800735916847 | epot = -12.7745753959125 | etot = -9.1333491079132 +921000 ekin = 1.62931395437238 | erot = 1.97307497751136 | epot = -12.7357380397975 | etot = -9.13334910791373 +922000 ekin = 1.6428610474625 | erot = 1.92053870341511 | epot = -12.6967488588289 | etot = -9.1333491079513 +923000 ekin = 1.65191234390675 | erot = 1.87163759208757 | epot = -12.6568990440089 | etot = -9.13334910801458 +924000 ekin = 1.65466206201082 | erot = 1.82703710614041 | epot = -12.6150482762383 | etot = -9.1333491080871 +925000 ekin = 1.64962158355934 | erot = 1.78691680129246 | epot = -12.5698874930024 | etot = -9.13334910815058 +926000 ekin = 1.63577435705778 | erot = 1.75111283231488 | epot = -12.5202362975603 | etot = -9.13334910818759 +927000 ekin = 1.61269412580857 | erot = 1.71928618608573 | epot = -12.4653294200782 | etot = -9.13334910818394 +928000 ekin = 1.58061327338292 | erot = 1.69109387513529 | epot = -12.4050562566482 | etot = -9.13334910813002 +929000 ekin = 1.54043465718479 | erot = 1.66634444994143 | epot = -12.3401282151476 | etot = -9.13334910802139 +930000 ekin = 1.49368612296849 | erot = 1.64511875929677 | epot = -12.2721539901256 | etot = -9.13334910786036 +931000 ekin = 1.44242020035617 | erot = 1.62783092394369 | epot = -12.2036002319582 | etot = -9.13334910765832 +932000 ekin = 1.38906420477875 | erot = 1.61520048768176 | epot = -12.1376137998968 | etot = -9.13334910743626 +933000 ekin = 1.33622958396202 | erot = 1.60811568410273 | epot = -12.0776943752882 | etot = -9.1333491072235 +934000 ekin = 1.28649486983171 | erot = 1.60739378972841 | epot = -12.0272377666154 | etot = -9.13334910705533 +935000 ekin = 1.24218246525754 | erot = 1.61347919083366 | epot = -11.9890107630562 | etot = -9.13334910696505 +936000 ekin = 1.20515312898325 | erot = 1.62614770365923 | epot = -11.9646499396204 | etot = -9.1333491069779 +937000 ekin = 1.17664231217296 | erot = 1.64429583354639 | epot = -11.9542872528248 | etot = -9.13334910710542 +938000 ekin = 1.15716006421498 | erot = 1.66588444175068 | epot = -11.956393613306 | etot = -9.13334910734034 +939000 ekin = 1.14647171712104 | erot = 1.68810326831473 | epot = -11.9679240930833 | etot = -9.13334910764757 +940000 ekin = 1.14367004082417 | erot = 1.70771457433394 | epot = -11.984733723155 | etot = -9.13334910799694 +941000 ekin = 1.14733884564608 | erot = 1.72149292699552 | epot = -12.0021808809642 | etot = -9.13334910832257 +942000 ekin = 1.15580134681802 | erot = 1.72687300439696 | epot = -12.016023459778 | etot = -9.133349108563 +943000 ekin = 1.16743729514705 | erot = 1.7224993662481 | epot = -12.0232857700608 | etot = -9.13334910866566 +944000 ekin = 1.18103106475781 | erot = 1.70858712463103 | epot = -12.0229672979907 | etot = -9.13334910860188 +945000 ekin = 1.19606804454874 | erot = 1.68696892705953 | epot = -12.0163860799918 | etot = -9.13334910838354 +946000 ekin = 1.21284058110413 | erot = 1.66075870248247 | epot = -12.0069483916594 | etot = -9.13334910807277 +947000 ekin = 1.23222210573009 | erot = 1.63367011138546 | epot = -11.9992413248872 | etot = -9.13334910777163 +948000 ekin = 1.25509690715666 | erot = 1.60916358071022 | epot = -11.9976095954539 | etot = -9.13334910758698 +949000 ekin = 1.28167104220759 | erot = 1.58969080393156 | epot = -12.0047109537196 | etot = -9.13334910758041 +950000 ekin = 1.31105510037976 | erot = 1.57628415674081 | epot = -12.0206883648589 | etot = -9.13334910773835 +951000 ekin = 1.34140314928361 | erot = 1.56859135849568 | epot = -12.0433436157626 | etot = -9.13334910798332 +952000 ekin = 1.37054117668508 | erot = 1.56526000759192 | epot = -12.069150292499 | etot = -9.13334910822196 +953000 ekin = 1.39670348101218 | erot = 1.56444621742546 | epot = -12.0944988068303 | etot = -9.1333491083927 +954000 ekin = 1.41897529237445 | erot = 1.56423287015234 | epot = -12.1165572710095 | etot = -9.13334910848276 +955000 ekin = 1.43729048069951 | erot = 1.56287479953571 | epot = -12.1335143887474 | etot = -9.13334910851214 +956000 ekin = 1.45211066332091 | erot = 1.55892938548475 | epot = -12.1443891573122 | etot = -9.13334910850651 +957000 ekin = 1.4640219062269 | erot = 1.55132217597068 | epot = -12.1486931906817 | etot = -9.13334910848408 +958000 ekin = 1.47342593725198 | erot = 1.53954965712689 | epot = -12.1463247028157 | etot = -9.13334910843678 +959000 ekin = 1.48038578494589 | erot = 1.52394133602205 | epot = -12.1376762293279 | etot = -9.13334910835997 +960000 ekin = 1.48460604033859 | erot = 1.50575363437883 | epot = -12.1237087829637 | etot = -9.13334910824631 +961000 ekin = 1.4854997593599 | erot = 1.48721075412849 | epot = -12.1060596215818 | etot = -9.13334910809345 +962000 ekin = 1.48229853496357 | erot = 1.47141202583616 | epot = -12.0870596687072 | etot = -9.13334910790745 +963000 ekin = 1.47417603272179 | erot = 1.46210240867471 | epot = -12.0696275490992 | etot = -9.13334910770273 +964000 ekin = 1.46036644525135 | erot = 1.46332191688904 | epot = -12.057037469638 | etot = -9.13334910749761 +965000 ekin = 1.4402666218216 | erot = 1.47896324786175 | epot = -12.0525789770021 | etot = -9.13334910731876 +966000 ekin = 1.41351583400846 | erot = 1.51227943251394 | epot = -12.0591443737143 | etot = -9.13334910719188 +967000 ekin = 1.38005134112547 | erot = 1.56539665062183 | epot = -12.0787970988885 | etot = -9.13334910714117 +968000 ekin = 1.34025482725015 | erot = 1.63885686276797 | epot = -12.1124607971955 | etot = -9.13334910717734 +969000 ekin = 1.29476921982091 | erot = 1.73132793710158 | epot = -12.1594462642466 | etot = -9.13334910732407 +970000 ekin = 1.24442005393454 | erot = 1.8397252071199 | epot = -12.2174943685955 | etot = -9.13334910754106 +971000 ekin = 1.19046696427949 | erot = 1.9594309140889 | epot = -12.2832469861657 | etot = -9.13334910779734 +972000 ekin = 1.13463097114298 | erot = 2.08475088502088 | epot = -12.3527309642144 | etot = -9.13334910805052 +973000 ekin = 1.07911059568441 | erot = 2.20953944501593 | epot = -12.4219991489594 | etot = -9.13334910825907 +974000 ekin = 1.02657367042055 | erot = 2.32774347839927 | epot = -12.4876662572453 | etot = -9.13334910842543 +975000 ekin = 0.979977932772385 | erot = 2.43392801404127 | epot = -12.5472550553015 | etot = -9.13334910848787 +976000 ekin = 0.942304887104193 | erot = 2.52399013955623 | epot = -12.5996441351349 | etot = -9.13334910847449 +977000 ekin = 0.916335295710406 | erot = 2.59517570124227 | epot = -12.6448601053644 | etot = -9.13334910841174 +978000 ekin = 0.90431642289583 | erot = 2.64601698757986 | epot = -12.6836825188087 | etot = -9.13334910833299 +979000 ekin = 0.907654941512796 | erot = 2.67612704046034 | epot = -12.7171310902433 | etot = -9.13334910827012 +980000 ekin = 0.926700183439719 | erot = 2.68592744664337 | epot = -12.7459767383288 | etot = -9.1333491082457 +981000 ekin = 0.960659745242588 | erot = 2.67638285527906 | epot = -12.7703917087896 | etot = -9.13334910826798 +982000 ekin = 1.00766017971421 | erot = 2.64879736701492 | epot = -12.7898066550609 | etot = -9.13334910833177 +983000 ekin = 1.06493892794264 | erot = 2.60470505316782 | epot = -12.802993089529 | etot = -9.13334910841856 +984000 ekin = 1.12913508942066 | erot = 2.54586103456236 | epot = -12.8083452324842 | etot = -9.13334910850118 +985000 ekin = 1.19663599745497 | erot = 2.47431116852831 | epot = -12.8042962745336 | etot = -9.13334910855034 +986000 ekin = 1.26393164267455 | erot = 2.39249159639475 | epot = -12.7897723476103 | etot = -9.13334910854103 +987000 ekin = 1.32792910235941 | erot = 2.30329384118403 | epot = -12.7645720520038 | etot = -9.13334910846032 +988000 ekin = 1.38618594051163 | erot = 2.21003704542525 | epot = -12.7295720942475 | etot = -9.13334910831058 +989000 ekin = 1.43703663164537 | erot = 2.11631776637245 | epot = -12.6867035061266 | etot = -9.13334910810878 +990000 ekin = 1.47960743025451 | erot = 2.02574976477645 | epot = -12.6387063029132 | etot = -9.1333491078822 +991000 ekin = 1.51373724651808 | erot = 1.94164272478242 | epot = -12.5887290789621 | etot = -9.13334910766159 +992000 ekin = 1.53983818591944 | erot = 1.86668512517351 | epot = -12.5398724185674 | etot = -9.13334910747449 +993000 ekin = 1.5587349067319 | erot = 1.80268982006318 | epot = -12.4947738341354 | etot = -9.13334910734036 +994000 ekin = 1.5715165151441 | erot = 1.75043914207065 | epot = -12.4553047644837 | etot = -9.13334910726898 +995000 ekin = 1.5794217343562 | erot = 1.7096407947002 | epot = -12.4224116363175 | etot = -9.13334910726107 +996000 ekin = 1.58376261672286 | erot = 1.67898574513777 | epot = -12.3960974691702 | etot = -9.13334910730955 +997000 ekin = 1.58587878575187 | erot = 1.65629050261344 | epot = -12.375518395768 | etot = -9.13334910740269 +998000 ekin = 1.58710748471221 | erot = 1.63870906511927 | epot = -12.3591656573558 | etot = -9.13334910752431 +999000 ekin = 1.58875603199319 | erot = 1.62299637539262 | epot = -12.3451015150442 | etot = -9.13334910765843 +1000000 ekin = 1.59207001214972 | erot = 1.60581739808396 | epot = -12.3312365180166 | etot = -9.13334910778296 + 1000000 0.11793111 -1.2674127 0.034288999 -1.0739167 -1.3883882e-05 64000 +Loop time of 15.7069 on 1 procs for 1000000 steps with 10 atoms + +Performance: 55007.553 tau/day, 63666.149 timesteps/s +99.7% CPU use with 1 MPI tasks x no OpenMP threads + +MPI task timing breakdown: +Section | min time | avg time | max time |%varavg| %total +--------------------------------------------------------------- +Pair | 12.948 | 12.948 | 12.948 | 0.0 | 82.43 +Bond | 0.58409 | 0.58409 | 0.58409 | 0.0 | 3.72 +Neigh | 0.016199 | 0.016199 | 0.016199 | 0.0 | 0.10 +Comm | 0.32752 | 0.32752 | 0.32752 | 0.0 | 2.09 +Output | 0.096494 | 0.096494 | 0.096494 | 0.0 | 0.61 +Modify | 1.4762 | 1.4762 | 1.4762 | 0.0 | 9.40 +Other | | 0.2584 | | | 1.65 + +Nlocal: 10.0000 ave 10 max 10 min +Histogram: 1 0 0 0 0 0 0 0 0 0 +Nghost: 0.00000 ave 0 max 0 min +Histogram: 1 0 0 0 0 0 0 0 0 0 +Neighs: 37.0000 ave 37 max 37 min +Histogram: 1 0 0 0 0 0 0 0 0 0 + +Total # of neighbors = 37 +Ave neighs/atom = 3.7000000 +Ave special neighs/atom = 3.6000000 +Neighbor list builds = 1000 +Dangerous builds = 0 + +write_data last_config.${number}.* nocoeff +write_data last_config.1.* nocoeff +System init for write_data ... +#write_restart last_config.${number}.* +Total wall time: 0:00:15 diff --git a/examples/PACKAGES/cgdna/examples/oxDNA/duplex1/log.2Jul21.duplex1.g++.4 b/examples/PACKAGES/cgdna/examples/oxDNA/duplex1/log.2Jul21.duplex1.g++.4 new file mode 100644 index 0000000000..3a44cb7943 --- /dev/null +++ b/examples/PACKAGES/cgdna/examples/oxDNA/duplex1/log.2Jul21.duplex1.g++.4 @@ -0,0 +1,1171 @@ +LAMMPS (2 Jul 2021) +variable number equal 1 +variable ofreq equal 1000 +variable efreq equal 1000 +variable T equal 0.1 + +units lj + +dimension 3 + +newton on + +boundary p p p + +atom_style hybrid bond ellipsoid oxdna +WARNING: Atom style hybrid defines both, per-type and per-atom masses; both must be set, but only per-atom masses will be used (../atom_vec_hybrid.cpp:157) +atom_modify sort 0 1.0 + +# Pair interactions require lists of neighbours to be calculated +neighbor 2.0 bin +neigh_modify every 1 delay 0 check yes + +read_data data.duplex1 +Reading data file ... + orthogonal box = (-20.000000 -20.000000 -20.000000) to (20.000000 20.000000 20.000000) + 1 by 2 by 2 MPI processor grid + reading atoms ... + 10 atoms + reading velocities ... + 10 velocities + scanning bonds ... + 1 = max bonds/atom + 10 ellipsoids + reading bonds ... + 8 bonds +Finding 1-2 1-3 1-4 neighbors ... + special bond factors lj: 0 0 0 + special bond factors coul: 0 0 0 + 2 = max # of 1-2 neighbors + 2 = max # of 1-3 neighbors + 2 = max # of 1-4 neighbors + 4 = max # of special neighbors + special bonds CPU = 0.001 seconds + read_data CPU = 0.005 seconds + +set atom * mass 3.1575 +Setting atom values ... + 10 settings made for mass + +group all type 1 4 +10 atoms in group all + +# oxDNA bond interactions - FENE backbone +bond_style oxdna/fene +bond_coeff * 2.0 0.25 0.7525 +special_bonds lj 0 1 1 +Finding 1-2 1-3 1-4 neighbors ... + special bond factors lj: 0 1 1 + special bond factors coul: 0 0 0 + 2 = max # of 1-2 neighbors + 2 = max # of 1-3 neighbors + 2 = max # of 1-4 neighbors + 4 = max # of special neighbors + special bonds CPU = 0.000 seconds + +# oxDNA pair interactions +pair_style hybrid/overlay oxdna/excv oxdna/stk oxdna/hbond oxdna/xstk oxdna/coaxstk +pair_coeff * * oxdna/excv 2.0 0.7 0.675 2.0 0.515 0.5 2.0 0.33 0.32 +pair_coeff * * oxdna/stk seqav ${T} 1.3448 2.6568 6.0 0.4 0.9 0.32 0.75 1.3 0 0.8 0.9 0 0.95 0.9 0 0.95 2.0 0.65 2.0 0.65 +pair_coeff * * oxdna/stk seqav 0.1 1.3448 2.6568 6.0 0.4 0.9 0.32 0.75 1.3 0 0.8 0.9 0 0.95 0.9 0 0.95 2.0 0.65 2.0 0.65 +pair_coeff * * oxdna/hbond seqav 0.0 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 +pair_coeff 1 4 oxdna/hbond seqav 1.077 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 +pair_coeff 2 3 oxdna/hbond seqav 1.077 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 +pair_coeff * * oxdna/xstk 47.5 0.575 0.675 0.495 0.655 2.25 0.791592653589793 0.58 1.7 1.0 0.68 1.7 1.0 0.68 1.5 0 0.65 1.7 0.875 0.68 1.7 0.875 0.68 +pair_coeff * * oxdna/coaxstk 46.0 0.4 0.6 0.22 0.58 2.0 2.541592653589793 0.65 1.3 0 0.8 0.9 0 0.95 0.9 0 0.95 2.0 -0.65 2.0 -0.65 + +# NVE ensemble +fix 1 all nve/asphere +#fix 2 all langevin ${T} ${T} 2.5 457145 angmom 10 + +timestep 1e-5 + +#comm_style tiled +fix 3 all balance 1000 1.03 shift xyz 10 1.03 +comm_modify cutoff 3.8 + +compute quat all property/atom quatw quati quatj quatk + +compute erot all erotate/asphere +compute ekin all ke +compute epot all pe +variable erot equal c_erot +variable ekin equal c_ekin +variable epot equal c_epot +variable etot equal c_erot+c_ekin+c_epot +fix 5 all print ${efreq} "$(step) ekin = ${ekin} | erot = ${erot} | epot = ${epot} | etot = ${etot}" screen yes +fix 5 all print 1000 "$(step) ekin = ${ekin} | erot = ${erot} | epot = ${epot} | etot = ${etot}" screen yes + +dump out all custom ${ofreq} out.${number}.lammpstrj id mol type x y z ix iy iz vx vy vz c_quat[1] c_quat[2] c_quat[3] c_quat[4] angmomx angmomy angmomz +dump out all custom 1000 out.${number}.lammpstrj id mol type x y z ix iy iz vx vy vz c_quat[1] c_quat[2] c_quat[3] c_quat[4] angmomx angmomy angmomz +dump out all custom 1000 out.1.lammpstrj id mol type x y z ix iy iz vx vy vz c_quat[1] c_quat[2] c_quat[3] c_quat[4] angmomx angmomy angmomz +dump_modify out sort id +dump_modify out format line "%d %d %d %22.15le %22.15le %22.15le %d %d %d %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le" + +run 1000000 +Neighbor list info ... + update every 1 steps, delay 0 steps, check yes + max neighbors/atom: 2000, page size: 100000 + master list distance cutoff = 2.9560004 + ghost atom cutoff = 3.8 + binsize = 1.4780002, bins = 28 28 28 + 4 neighbor lists, perpetual/occasional/extra = 4 0 0 + (1) pair oxdna/excv, perpetual + attributes: half, newton on + pair build: half/bin/newton + stencil: half/bin/3d + bin: standard + (2) pair oxdna/hbond, perpetual, copy from (1) + attributes: half, newton on + pair build: copy + stencil: none + bin: none + (3) pair oxdna/xstk, perpetual, copy from (1) + attributes: half, newton on + pair build: copy + stencil: none + bin: none + (4) pair oxdna/coaxstk, perpetual, copy from (1) + attributes: half, newton on + pair build: copy + stencil: none + bin: none +0 ekin = 1.10853632272819 | erot = 2.81573649976629 | epot = -13.057621953437 | etot = -9.13334913094248 +Per MPI rank memory allocation (min/avg/max) = 8.855 | 8.861 | 8.867 Mbytes +Step Temp E_pair E_mol TotEng Press Volume + 0 0.082113802 -1.3488546 0.043092397 -1.1949086 -4.6816211e-05 64000 +1000 ekin = 1.08024346604046 | erot = 2.90873406534668 | epot = -13.1223266626202 | etot = -9.13334913123309 +2000 ekin = 1.05028450914436 | erot = 2.98006324808558 | epot = -13.1636968886591 | etot = -9.13334913142917 +3000 ekin = 1.01964458529397 | erot = 3.02592193798631 | epot = -13.1789156547658 | etot = -9.13334913148549 +4000 ekin = 0.989515033089522 | erot = 3.04428486059471 | epot = -13.1671490250723 | etot = -9.13334913138808 +5000 ekin = 0.961283929687805 | erot = 3.03510855539557 | epot = -13.1297416162282 | etot = -9.13334913114478 +6000 ekin = 0.936412193404224 | erot = 3.00022299571977 | epot = -13.0699843199583 | etot = -9.13334913083427 +7000 ekin = 0.916233699107934 | erot = 2.94277134440163 | epot = -12.9923541739966 | etot = -9.13334913048703 +8000 ekin = 0.901760662506231 | erot = 2.86671228744168 | epot = -12.9018220800865 | etot = -9.13334913013854 +9000 ekin = 0.893571390067841 | erot = 2.77649686780611 | epot = -12.8034173876806 | etot = -9.13334912980665 +10000 ekin = 0.89180568505681 | erot = 2.6768685500674 | epot = -12.7020233645916 | etot = -9.13334912946735 +11000 ekin = 0.896243557993558 | erot = 2.57266042063126 | epot = -12.6022531078195 | etot = -9.13334912919466 +12000 ekin = 0.906416039154792 | erot = 2.46827537271563 | epot = -12.5080405408348 | etot = -9.13334912896439 +13000 ekin = 0.921704091778471 | erot = 2.3676064547084 | epot = -12.4226596752788 | etot = -9.13334912879193 +14000 ekin = 0.941405275130066 | erot = 2.27374941641182 | epot = -12.3485038202329 | etot = -9.13334912869102 +15000 ekin = 0.964770892951772 | erot = 2.18876720165118 | epot = -12.2868872232636 | etot = -9.13334912866064 +16000 ekin = 0.991029016801091 | erot = 2.11380018376647 | epot = -12.2381783292305 | etot = -9.13334912866296 +17000 ekin = 1.01940907375713 | erot = 2.04893605182118 | epot = -12.2016942543555 | etot = -9.13334912877723 +18000 ekin = 1.04917923728266 | erot = 1.99335017578097 | epot = -12.1758785419805 | etot = -9.13334912891687 +19000 ekin = 1.07969247848164 | erot = 1.94569933362964 | epot = -12.1587409411761 | etot = -9.13334912906482 +20000 ekin = 1.11043268152285 | erot = 1.90411175657075 | epot = -12.1478935672812 | etot = -9.13334912918763 +21000 ekin = 1.14104909735581 | erot = 1.8669588297924 | epot = -12.1413570564147 | etot = -9.13334912926644 +22000 ekin = 1.17136821848097 | erot = 1.83313674901893 | epot = -12.137854096792 | etot = -9.13334912929212 +23000 ekin = 1.2013763409769 | erot = 1.80222523558974 | epot = -12.1369507058332 | etot = -9.13334912926651 +24000 ekin = 1.23117249622896 | erot = 1.77451266102185 | epot = -12.1390342864516 | etot = -9.13334912920075 +25000 ekin = 1.2608952664064 | erot = 1.75088411697588 | epot = -12.1451285124969 | etot = -9.13334912911462 +26000 ekin = 1.29063712254627 | erot = 1.732594283795 | epot = -12.1565805353676 | etot = -9.13334912902628 +27000 ekin = 1.32035987087023 | erot = 1.7211406167117 | epot = -12.174849616541 | etot = -9.13334912895908 +28000 ekin = 1.34980460658792 | erot = 1.71795709927852 | epot = -12.2011108348018 | etot = -9.13334912893532 +29000 ekin = 1.37841624051157 | erot = 1.72414013785738 | epot = -12.2359055073442 | etot = -9.13334912897525 +30000 ekin = 1.40529015727349 | erot = 1.74019656639667 | epot = -12.2788358527639 | etot = -9.13334912909375 +31000 ekin = 1.42915801743393 | erot = 1.7658325233695 | epot = -12.3283396701001 | etot = -9.1333491292967 +32000 ekin = 1.44843712560538 | erot = 1.79982181745342 | epot = -12.3816080726341 | etot = -9.13334912957529 +33000 ekin = 1.46136904668678 | erot = 1.84000474140074 | epot = -12.4347229179886 | etot = -9.13334912990108 +34000 ekin = 1.46625940785512 | erot = 1.88346459856618 | epot = -12.4830731366476 | etot = -9.1333491302263 +35000 ekin = 1.46179739484304 | erot = 1.92688889524938 | epot = -12.5220354205853 | etot = -9.1333491304929 +36000 ekin = 1.44738855724073 | erot = 1.96705754746494 | epot = -12.5477952353505 | etot = -9.13334913064482 +37000 ekin = 1.42340054468545 | erot = 2.00129614949923 | epot = -12.5580458249025 | etot = -9.13334913071784 +38000 ekin = 1.39122781542975 | erot = 2.02761655303761 | epot = -12.5521934990548 | etot = -9.13334913058741 +39000 ekin = 1.35313842096811 | erot = 2.04547852103599 | epot = -12.5319660723437 | etot = -9.1333491303396 +40000 ekin = 1.31193587699355 | erot = 2.05554364627555 | epot = -12.5008286533156 | etot = -9.13334913004651 +41000 ekin = 1.27054093924535 | erot = 2.05894429581367 | epot = -12.4628343648332 | etot = -9.13334912977421 +42000 ekin = 1.23161000992317 | erot = 2.05694893255704 | epot = -12.4219080720069 | etot = -9.13334912952669 +43000 ekin = 1.19723969759481 | erot = 2.05085758075655 | epot = -12.3814464076996 | etot = -9.13334912934824 +44000 ekin = 1.16880185863983 | erot = 2.04172238360625 | epot = -12.3438733714904 | etot = -9.13334912924435 +45000 ekin = 1.14690787175701 | erot = 2.03029950061771 | epot = -12.3105565015799 | etot = -9.13334912920518 +46000 ekin = 1.13147919636031 | erot = 2.01712256175374 | epot = -12.2819508873243 | etot = -9.13334912921025 +47000 ekin = 1.12189300492699 | erot = 2.00264798837259 | epot = -12.2578901225351 | etot = -9.13334912923553 +48000 ekin = 1.11716788112702 | erot = 1.98739120721197 | epot = -12.2379082176347 | etot = -9.13334912929566 +49000 ekin = 1.11615794795222 | erot = 1.9718736810838 | epot = -12.221380758335 | etot = -9.13334912929896 +50000 ekin = 1.11772326336371 | erot = 1.95708534394635 | epot = -12.2081577365827 | etot = -9.13334912927264 +51000 ekin = 1.12084924497847 | erot = 1.94437394210229 | epot = -12.1985723162998 | etot = -9.13334912921909 +52000 ekin = 1.12470549785224 | erot = 1.93529800314884 | epot = -12.1933526301511 | etot = -9.13334912915001 +53000 ekin = 1.12864556674948 | erot = 1.93145365271676 | epot = -12.1934483485499 | etot = -9.13334912908363 +54000 ekin = 1.1321611352306 | erot = 1.93430274875519 | epot = -12.1998130130122 | etot = -9.13334912902645 +55000 ekin = 1.13481106600207 | erot = 1.94490436967255 | epot = -12.2130645647024 | etot = -9.13334912902774 +56000 ekin = 1.1361434353579 | erot = 1.963618845908 | epot = -12.2331114103533 | etot = -9.13334912908738 +57000 ekin = 1.13563178311257 | erot = 1.99002978527258 | epot = -12.2590106975988 | etot = -9.13334912921363 +58000 ekin = 1.13263976908222 | erot = 2.02286978616508 | epot = -12.2888586846529 | etot = -9.13334912940556 +59000 ekin = 1.12642426113412 | erot = 2.06004413441716 | epot = -12.3198175252031 | etot = -9.13334912965185 +60000 ekin = 1.11618536041516 | erot = 2.09876774945551 | epot = -12.3483022398007 | etot = -9.13334912993006 +61000 ekin = 1.10116810417853 | erot = 2.13581434618271 | epot = -12.3703315805686 | etot = -9.13334913020733 +62000 ekin = 1.08081637521793 | erot = 2.16786879318301 | epot = -12.3820342988436 | etot = -9.13334913044262 +63000 ekin = 1.05497014428143 | erot = 2.19194503254432 | epot = -12.3802643074578 | etot = -9.13334913063208 +64000 ekin = 1.02408601603155 | erot = 2.20562384873124 | epot = -12.3630589954182 | etot = -9.13334913065538 +65000 ekin = 0.989434415807706 | erot = 2.20769180278651 | epot = -12.3304753491253 | etot = -9.13334913053111 +66000 ekin = 0.95319559356389 | erot = 2.19842250482622 | epot = -12.2849672286541 | etot = -9.13334913026396 +67000 ekin = 0.918366365968281 | erot = 2.17942400884176 | epot = -12.2311395047051 | etot = -9.13334912989503 +68000 ekin = 0.888467814666307 | erot = 2.15321364358195 | epot = -12.1750305877204 | etot = -9.13334912947213 +69000 ekin = 0.867150037001672 | erot = 2.12288633704368 | epot = -12.1233855031211 | etot = -9.13334912907575 +70000 ekin = 0.857579951604792 | erot = 2.09151913845146 | epot = -12.0824482188433 | etot = -9.13334912878707 +71000 ekin = 0.861815425267495 | erot = 2.06157004239555 | epot = -12.0567345963621 | etot = -9.13334912869911 +72000 ekin = 0.880191815685466 | erot = 2.03435275439356 | epot = -12.0478936988734 | etot = -9.13334912879439 +73000 ekin = 0.911201453876645 | erot = 2.00982694750392 | epot = -12.0543775304381 | etot = -9.13334912905759 +74000 ekin = 0.951849895585073 | erot = 1.98685418272615 | epot = -12.0720532077348 | etot = -9.13334912942353 +75000 ekin = 0.998151008641159 | erot = 1.96362530027592 | epot = -12.0951254387265 | etot = -9.13334912980946 +76000 ekin = 1.04581734271582 | erot = 1.93821700241342 | epot = -12.1173834752671 | etot = -9.13334913013786 +77000 ekin = 1.09091996835692 | erot = 1.90910715282271 | epot = -12.1333762515352 | etot = -9.1333491303556 +78000 ekin = 1.13037631927904 | erot = 1.87551578135369 | epot = -12.139241231075 | etot = -9.1333491304423 +79000 ekin = 1.16219588597769 | erot = 1.83750580183243 | epot = -12.1330508182182 | etot = -9.1333491304081 +80000 ekin = 1.18548972632214 | erot = 1.79585942669971 | epot = -12.1146982833061 | etot = -9.13334913028424 +81000 ekin = 1.20030605718935 | erot = 1.7518136593973 | epot = -12.0854688466955 | etot = -9.13334913010885 +82000 ekin = 1.20737786492175 | erot = 1.70676694760203 | epot = -12.0474939424388 | etot = -9.13334912991501 +83000 ekin = 1.2078605140205 | erot = 1.66205278152614 | epot = -12.0032624252715 | etot = -9.13334912972487 +84000 ekin = 1.20310991572453 | erot = 1.61882913247303 | epot = -11.9552881777459 | etot = -9.13334912954831 +85000 ekin = 1.19452073297141 | erot = 1.57808043002402 | epot = -11.9059502923817 | etot = -9.13334912938628 +86000 ekin = 1.18342100682534 | erot = 1.54069268896221 | epot = -11.8574628250233 | etot = -9.13334912923578 +87000 ekin = 1.17100858957321 | erot = 1.50755090689503 | epot = -11.8119086255615 | etot = -9.13334912909331 +88000 ekin = 1.1583137755166 | erot = 1.47961680456705 | epot = -11.7712797090415 | etot = -9.13334912895786 +89000 ekin = 1.1461768281738 | erot = 1.45796378128877 | epot = -11.7374897382936 | etot = -9.13334912883104 +90000 ekin = 1.13523447969403 | erot = 1.44376438030011 | epot = -11.7123479887108 | etot = -9.13334912871663 +91000 ekin = 1.12591345720535 | erot = 1.43823772500934 | epot = -11.6975003108346 | etot = -9.13334912861991 +92000 ekin = 1.11843099489273 | erot = 1.44256930748506 | epot = -11.6943494309245 | etot = -9.1333491285467 +93000 ekin = 1.11280329634805 | erot = 1.45781524814475 | epot = -11.7039676729953 | etot = -9.13334912850246 +94000 ekin = 1.10886209127331 | erot = 1.48480045701869 | epot = -11.7270116767843 | etot = -9.13334912849234 +95000 ekin = 1.10627886010333 | erot = 1.5239622064754 | epot = -11.7635901951108 | etot = -9.13334912853206 +96000 ekin = 1.10459509814417 | erot = 1.57519859223426 | epot = -11.8131428189846 | etot = -9.13334912860619 +97000 ekin = 1.10325943769899 | erot = 1.63800664193805 | epot = -11.8746152083619 | etot = -9.13334912872485 +98000 ekin = 1.1016695958164 | erot = 1.71130689804978 | epot = -11.9463256227541 | etot = -9.13334912888788 +99000 ekin = 1.09921849385157 | erot = 1.79339905630371 | epot = -12.0259666792473 | etot = -9.13334912909204 +100000 ekin = 1.09534596880101 | erot = 1.88196872528582 | epot = -12.1106638234163 | etot = -9.13334912932951 +101000 ekin = 1.08959720755113 | erot = 1.97415616931464 | epot = -12.1971025064522 | etot = -9.13334912958639 +102000 ekin = 1.08168751154811 | erot = 2.06670282185186 | epot = -12.2817394632427 | etot = -9.13334912984268 +103000 ekin = 1.0715693234231 | erot = 2.1561819250807 | epot = -12.3611003785773 | etot = -9.13334913007349 +104000 ekin = 1.0594923799607 | erot = 2.23930158373573 | epot = -12.4321430939486 | etot = -9.13334913025215 +105000 ekin = 1.04604342224877 | erot = 2.3132390228585 | epot = -12.4926315754931 | etot = -9.13334913038584 +106000 ekin = 1.03224316318561 | erot = 2.37579242095983 | epot = -12.5413847145642 | etot = -9.1333491304188 +107000 ekin = 1.01951120148936 | erot = 2.42585603740561 | epot = -12.5787163692802 | etot = -9.13334913038522 +108000 ekin = 1.00875017477215 | erot = 2.46348952984483 | epot = -12.6055888348734 | etot = -9.13334913025643 +109000 ekin = 1.00109573552405 | erot = 2.48980806114955 | epot = -12.6242529267278 | etot = -9.13334913005421 +110000 ekin = 0.997931591358236 | erot = 2.50673918610783 | epot = -12.6380199072775 | etot = -9.13334912981144 +111000 ekin = 1.00076792351335 | erot = 2.51665915373024 | epot = -12.6507762068076 | etot = -9.13334912956397 +112000 ekin = 1.01109610479944 | erot = 2.52200701599634 | epot = -12.6664522501391 | etot = -9.13334912934334 +113000 ekin = 1.03019016817903 | erot = 2.52496101252866 | epot = -12.6885003099863 | etot = -9.13334912927859 +114000 ekin = 1.05821017520648 | erot = 2.52722573627497 | epot = -12.7187850407017 | etot = -9.13334912922025 +115000 ekin = 1.09472530400165 | erot = 2.53003930448809 | epot = -12.7581137377194 | etot = -9.13334912922962 +116000 ekin = 1.13884650903356 | erot = 2.5341483243043 | epot = -12.8063439626439 | etot = -9.13334912930608 +117000 ekin = 1.18909444999508 | erot = 2.53980839277117 | epot = -12.8622519722151 | etot = -9.13334912944883 +118000 ekin = 1.24341490970497 | erot = 2.54678348242622 | epot = -12.9235475217871 | etot = -9.13334912965586 +119000 ekin = 1.29923662064213 | erot = 2.55432909400999 | epot = -12.9869148445733 | etot = -9.13334912992119 +120000 ekin = 1.35358959215664 | erot = 2.56118615921788 | epot = -13.048124881604 | etot = -9.13334913022946 +121000 ekin = 1.40329803815465 | erot = 2.56563135861651 | epot = -13.1022785273257 | etot = -9.13334913055449 +122000 ekin = 1.44524692196623 | erot = 2.5656244840922 | epot = -13.1442205369175 | etot = -9.13334913085908 +123000 ekin = 1.47669540804833 | erot = 2.559063179982 | epot = -13.1691077191312 | etot = -9.13334913110085 +124000 ekin = 1.49558302658158 | erot = 2.54411105943717 | epot = -13.1730432172613 | etot = -9.13334913124258 +125000 ekin = 1.5007612248973 | erot = 2.51952798471307 | epot = -13.1536383408714 | etot = -9.13334913126099 +126000 ekin = 1.49214728684699 | erot = 2.48515933103519 | epot = -13.1106557490374 | etot = -9.1333491311552 +127000 ekin = 1.47053410713936 | erot = 2.4417448007513 | epot = -13.0456280388476 | etot = -9.13334913095689 +128000 ekin = 1.43743445323482 | erot = 2.39059049317554 | epot = -12.9613740770759 | etot = -9.13334913066556 +129000 ekin = 1.39501109707029 | erot = 2.33380120125828 | epot = -12.8621614286436 | etot = -9.13334913031504 +130000 ekin = 1.34584042016727 | erot = 2.27401545397185 | epot = -12.7532050040794 | etot = -9.13334912994024 +131000 ekin = 1.29268930786566 | erot = 2.21410134111234 | epot = -12.6401397785509 | etot = -9.13334912957287 +132000 ekin = 1.23832315616802 | erot = 2.15686384200895 | epot = -12.5285361274155 | etot = -9.13334912923854 +133000 ekin = 1.1853526768118 | erot = 2.10479906741768 | epot = -12.4235008731854 | etot = -9.13334912895591 +134000 ekin = 1.136121555628 | erot = 2.05991346428637 | epot = -12.3293841486506 | etot = -9.13334912873626 +135000 ekin = 1.09263262326044 | erot = 2.02360952444374 | epot = -12.2495912762907 | etot = -9.13334912858652 +136000 ekin = 1.05650575788342 | erot = 1.9966203066869 | epot = -12.1864751930783 | etot = -9.13334912850799 +137000 ekin = 1.02895878679454 | erot = 1.97899212834894 | epot = -12.1413000436437 | etot = -9.13334912850018 +138000 ekin = 1.01080388995847 | erot = 1.97013512172241 | epot = -12.1142881402336 | etot = -9.13334912855268 +139000 ekin = 1.00245459395346 | erot = 1.96888144460882 | epot = -12.1046851672406 | etot = -9.13334912867834 +140000 ekin = 1.00393780740619 | erot = 1.97333010973458 | epot = -12.1106170460031 | etot = -9.13334912886233 +141000 ekin = 1.01490973367033 | erot = 1.98104530944798 | epot = -12.129304172214 | etot = -9.13334912909566 +142000 ekin = 1.03468044934417 | erot = 1.98917872502435 | epot = -12.1572083037339 | etot = -9.13334912936537 +143000 ekin = 1.06225104646174 | erot = 1.99463134790784 | epot = -12.1902315240234 | etot = -9.13334912965385 +144000 ekin = 1.09636709127249 | erot = 1.99441220318397 | epot = -12.2241284243807 | etot = -9.13334912992419 +145000 ekin = 1.13559045362119 | erot = 1.98572590466005 | epot = -12.2546654884645 | etot = -9.13334913018322 +146000 ekin = 1.17838854122087 | erot = 1.96612892354251 | epot = -12.2778665951536 | etot = -9.13334913039023 +147000 ekin = 1.22300699749175 | erot = 1.93405129394969 | epot = -12.290407421963 | etot = -9.13334913052156 +148000 ekin = 1.26785677863012 | erot = 1.88891621350833 | epot = -12.2901221226998 | etot = -9.13334913056131 +149000 ekin = 1.31170551487292 | erot = 1.83123494690858 | epot = -12.2762895922885 | etot = -9.13334913050698 +150000 ekin = 1.3536185809119 | erot = 1.762636075096 | epot = -12.2496037863728 | etot = -9.13334913036486 +151000 ekin = 1.39299848911419 | erot = 1.68572491420596 | epot = -12.2120725334743 | etot = -9.13334913015418 +152000 ekin = 1.42958376961901 | erot = 1.60381549112324 | epot = -12.1667483906421 | etot = -9.13334912989989 +153000 ekin = 1.46340801747584 | erot = 1.52060159601899 | epot = -12.1173587431247 | etot = -9.1333491296299 +154000 ekin = 1.49472650224552 | erot = 1.43981503875257 | epot = -12.067890670369 | etot = -9.13334912937093 +155000 ekin = 1.52392161825071 | erot = 1.364916576832 | epot = -12.0221873242286 | etot = -9.13334912914587 +156000 ekin = 1.55140022159549 | erot = 1.2988497238181 | epot = -11.9835990743858 | etot = -9.13334912897225 +157000 ekin = 1.57749707056582 | erot = 1.24387068637214 | epot = -11.9547168857976 | etot = -9.13334912885968 +158000 ekin = 1.60239506185778 | erot = 1.20145363967807 | epot = -11.9371978303529 | etot = -9.13334912881703 +159000 ekin = 1.62604462003782 | erot = 1.17226436760493 | epot = -11.9316581164853 | etot = -9.13334912884255 +160000 ekin = 1.64813303486544 | erot = 1.15619534708312 | epot = -11.9376775108803 | etot = -9.13334912893177 +161000 ekin = 1.66807327612978 | erot = 1.15245312716188 | epot = -11.9538755323666 | etot = -9.13334912907489 +162000 ekin = 1.68501875283056 | erot = 1.15969471512802 | epot = -11.9780625972164 | etot = -9.13334912925781 +163000 ekin = 1.69790620824675 | erot = 1.176209891261 | epot = -12.0074652289697 | etot = -9.13334912946192 +164000 ekin = 1.70552711798396 | erot = 1.20014309389824 | epot = -12.0390193415471 | etot = -9.13334912966488 +165000 ekin = 1.70662691809348 | erot = 1.22974121417714 | epot = -12.069717262113 | etot = -9.1333491298424 +166000 ekin = 1.70002908026848 | erot = 1.26360423252402 | epot = -12.0969824427635 | etot = -9.13334912997104 +167000 ekin = 1.68477683955882 | erot = 1.30090518403754 | epot = -12.119031153627 | etot = -9.13334913003062 +168000 ekin = 1.66027923283184 | erot = 1.34154370359062 | epot = -12.1351720664311 | etot = -9.13334913000864 +169000 ekin = 1.62644124957725 | erot = 1.38619810991383 | epot = -12.1459884893943 | etot = -9.13334912990326 +170000 ekin = 1.58375251890772 | erot = 1.43625221626178 | epot = -12.153353864895 | etot = -9.13334912972554 +171000 ekin = 1.53331003043924 | erot = 1.49359459893396 | epot = -12.1602537588724 | etot = -9.13334912949918 +172000 ekin = 1.476761061614 | erot = 1.56031583407033 | epot = -12.1704260249402 | etot = -9.13334912925584 +173000 ekin = 1.41695754705525 | erot = 1.63848249765407 | epot = -12.1887891730447 | etot = -9.13334912833541 +174000 ekin = 1.35937684304481 | erot = 1.72968793645238 | epot = -12.2224139078255 | etot = -9.13334912832827 +175000 ekin = 1.3053754081881 | erot = 1.83369980102265 | epot = -12.2724243375756 | etot = -9.13334912836484 +176000 ekin = 1.25571357800303 | erot = 1.94952726339955 | epot = -12.3385899698493 | etot = -9.13334912844669 +177000 ekin = 1.21104692225311 | erot = 2.07558802224398 | epot = -12.4199840730644 | etot = -9.13334912856735 +178000 ekin = 1.17189512057037 | erot = 2.20976079574657 | epot = -12.5150050450644 | etot = -9.13334912874749 +179000 ekin = 1.13864315857372 | erot = 2.34949890132906 | epot = -12.6214911888119 | etot = -9.13334912890909 +180000 ekin = 1.11156621835596 | erot = 2.49234008540024 | epot = -12.737255432825 | etot = -9.1333491290688 +181000 ekin = 1.09087167613587 | erot = 2.63567357536161 | epot = -12.8598943807503 | etot = -9.13334912925281 +182000 ekin = 1.07675226579842 | erot = 2.77693577183354 | epot = -12.9870371670197 | etot = -9.13334912938778 +183000 ekin = 1.06942294234152 | erot = 2.91405263083466 | epot = -13.1168247026767 | etot = -9.13334912950054 +184000 ekin = 1.06913488705838 | erot = 3.04520163111684 | epot = -13.2476856477707 | etot = -9.13334912959545 +185000 ekin = 1.07614345922789 | erot = 3.16875772929948 | epot = -13.378250318213 | etot = -9.13334912968562 +186000 ekin = 1.09060563376747 | erot = 3.28317984154881 | epot = -13.5071346051107 | etot = -9.13334912979441 +187000 ekin = 1.11239929858146 | erot = 3.38683780589114 | epot = -13.6325862344249 | etot = -9.13334912995233 +188000 ekin = 1.14088837562638 | erot = 3.47780595660538 | epot = -13.7520434624201 | etot = -9.13334913018836 +189000 ekin = 1.17469755695842 | erot = 3.55369218298273 | epot = -13.8617388704573 | etot = -9.13334913051617 +190000 ekin = 1.2115896198333 | erot = 3.61161008256096 | epot = -13.9565488333134 | etot = -9.13334913091917 +191000 ekin = 1.24837558083714 | erot = 3.64780345127574 | epot = -14.0295281634887 | etot = -9.13334913137586 +192000 ekin = 1.28102311682943 | erot = 3.65810395429009 | epot = -14.0724762027876 | etot = -9.13334913166806 +193000 ekin = 1.30598320816959 | erot = 3.64139295006505 | epot = -14.0807252900252 | etot = -9.13334913179052 +194000 ekin = 1.32049648836597 | erot = 3.59844552363042 | epot = -14.0522911436923 | etot = -9.13334913169586 +195000 ekin = 1.32298604774247 | erot = 3.5321292813495 | epot = -13.9884644604292 | etot = -9.1333491313372 +196000 ekin = 1.31323645162539 | erot = 3.44751612705309 | epot = -13.8941017095232 | etot = -9.13334913084476 +197000 ekin = 1.29228934698113 | erot = 3.350723403225 | epot = -13.7763618804987 | etot = -9.13334913029261 +198000 ekin = 1.26212633786599 | erot = 3.24789114381998 | epot = -13.643366611423 | etot = -9.13334912973699 +199000 ekin = 1.22527047461683 | erot = 3.14483705467214 | epot = -13.5034566585631 | etot = -9.13334912927412 +200000 ekin = 1.18441799207204 | erot = 3.04594245963003 | epot = -13.3637095806218 | etot = -9.13334912891969 +201000 ekin = 1.14216630511914 | erot = 2.95390025492363 | epot = -13.2294156887272 | etot = -9.1333491286844 +202000 ekin = 1.10084220211718 | erot = 2.86987712396353 | epot = -13.1040684546434 | etot = -9.13334912856272 +203000 ekin = 1.06240856568988 | erot = 2.79366067226835 | epot = -12.9894183664997 | etot = -9.13334912854149 +204000 ekin = 1.02841768821199 | erot = 2.72389144275511 | epot = -12.885658259572 | etot = -9.13334912860488 +205000 ekin = 0.999988405220592 | erot = 2.65832732458309 | epot = -12.7916648585389 | etot = -9.13334912873525 +206000 ekin = 0.977799621225001 | erot = 2.59412391514179 | epot = -12.7052726652798 | etot = -9.13334912891299 +207000 ekin = 0.962105653965304 | erot = 2.528137921261 | epot = -12.6235927043398 | etot = -9.1333491291135 +208000 ekin = 0.952783648018777 | erot = 2.45726642892286 | epot = -12.5433992062486 | etot = -9.133349129307 +209000 ekin = 0.949416945748481 | erot = 2.37882137049687 | epot = -12.4615874457066 | etot = -9.13334912946124 +210000 ekin = 0.951402263215182 | erot = 2.29090939419182 | epot = -12.3756607869542 | etot = -9.13334912954718 +211000 ekin = 0.958051952077585 | erot = 2.19275562021841 | epot = -12.2841567018437 | etot = -9.13334912954766 +212000 ekin = 0.968659667700472 | erot = 2.08489619855782 | epot = -12.1869049957197 | etot = -9.13334912946136 +213000 ekin = 0.982515908119962 | erot = 1.9691842228096 | epot = -12.0850492602323 | etot = -9.13334912930278 +214000 ekin = 0.998888701919759 | erot = 1.84860041861888 | epot = -11.9808382496354 | etot = -9.13334912909675 +215000 ekin = 1.01700134912568 | erot = 1.72690897492139 | epot = -11.877259452919 | etot = -9.13334912887197 +216000 ekin = 1.03603050122452 | erot = 1.60822693577792 | epot = -11.7776065656583 | etot = -9.13334912865589 +217000 ekin = 1.05512477228468 | erot = 1.49657917533765 | epot = -11.6850530760948 | etot = -9.13334912847249 +218000 ekin = 1.07342860744181 | erot = 1.39550092670151 | epot = -11.6022786624835 | etot = -9.13334912834018 +219000 ekin = 1.09009860355571 | erot = 1.30773521951529 | epot = -11.5311829513408 | etot = -9.13334912826979 +220000 ekin = 1.10431207607343 | erot = 1.23505496062862 | epot = -11.4727161649657 | etot = -9.13334912826362 +221000 ekin = 1.11527717993037 | erot = 1.17821867809227 | epot = -11.4268449863377 | etot = -9.13334912831507 +222000 ekin = 1.12225437592962 | erot = 1.13704823944124 | epot = -11.3926517437815 | etot = -9.1333491284106 +223000 ekin = 1.12459297621399 | erot = 1.11060060825087 | epot = -11.3685427129972 | etot = -9.13334912853233 +224000 ekin = 1.12177911879604 | erot = 1.09739625543906 | epot = -11.3525245028961 | etot = -9.133349128661 +225000 ekin = 1.11348637905741 | erot = 1.09566402531915 | epot = -11.3424995331559 | etot = -9.13334912877937 +226000 ekin = 1.09961800000693 | erot = 1.10360909760929 | epot = -11.3365762264852 | etot = -9.13334912886903 +227000 ekin = 1.08033165066208 | erot = 1.11952730043394 | epot = -11.333208080032 | etot = -9.13334912893602 +228000 ekin = 1.05604602872772 | erot = 1.14187865421848 | epot = -11.3312738119171 | etot = -9.13334912897095 +229000 ekin = 1.027424186635 | erot = 1.16938489301662 | epot = -11.3301582086286 | etot = -9.13334912897701 +230000 ekin = 0.995339184991533 | erot = 1.201020481986 | epot = -11.3297087959369 | etot = -9.13334912895939 +231000 ekin = 0.960829492708657 | erot = 1.23597735762286 | epot = -11.3301559792544 | etot = -9.13334912892285 +232000 ekin = 0.92505043273521 | erot = 1.27360958612367 | epot = -11.3320091477353 | etot = -9.13334912887644 +233000 ekin = 0.889225435959709 | erot = 1.31337910210612 | epot = -11.3359536668892 | etot = -9.13334912882337 +234000 ekin = 0.854600006628674 | erot = 1.35483402381901 | epot = -11.3427831592147 | etot = -9.133349128767 +235000 ekin = 0.822390924845149 | erot = 1.39757430015815 | epot = -11.3533143537193 | etot = -9.13334912871597 +236000 ekin = 0.793732848711787 | erot = 1.44121433399046 | epot = -11.3682963113762 | etot = -9.13334912867398 +237000 ekin = 0.769632191219387 | erot = 1.48535644446045 | epot = -11.3883377643264 | etot = -9.13334912864658 +238000 ekin = 0.750918993365987 | erot = 1.52956143549191 | epot = -11.4138295574957 | etot = -9.13334912863784 +239000 ekin = 0.738206267497149 | erot = 1.5733336116213 | epot = -11.4448890077678 | etot = -9.13334912864934 +240000 ekin = 0.731862193743969 | erot = 1.61613149974206 | epot = -11.4813428221655 | etot = -9.13334912867947 +241000 ekin = 0.73199932800202 | erot = 1.65741090456841 | epot = -11.5227593612935 | etot = -9.13334912872305 +242000 ekin = 0.738482620157313 | erot = 1.69669130986291 | epot = -11.5685230587942 | etot = -9.13334912877397 +243000 ekin = 0.750955042325396 | erot = 1.7336492948231 | epot = -11.6179534659684 | etot = -9.13334912881989 +244000 ekin = 0.768877080466636 | erot = 1.7682236027561 | epot = -11.6704498120772 | etot = -9.13334912885446 +245000 ekin = 0.791573929294678 | erot = 1.80068045121315 | epot = -11.7256035093796 | etot = -9.13334912887177 +246000 ekin = 0.81828291427161 | erot = 1.8316410744518 | epot = -11.7832731175944 | etot = -9.13334912887095 +247000 ekin = 0.848193621601761 | erot = 1.8620509655525 | epot = -11.8435937160104 | etot = -9.13334912885613 +248000 ekin = 0.880474358635575 | erot = 1.89308546777806 | epot = -11.9069089552504 | etot = -9.13334912883675 +249000 ekin = 0.914280881219353 | erot = 1.92599713223906 | epot = -11.9736271422846 | etot = -9.13334912882621 +250000 ekin = 0.948746730716563 | erot = 1.96192054843754 | epot = -12.0440164079946 | etot = -9.13334912884045 +251000 ekin = 0.982959063854421 | erot = 2.00165977259934 | epot = -12.117967965349 | etot = -9.13334912889524 +252000 ekin = 1.01592948249861 | erot = 2.04549252396402 | epot = -12.1947711354641 | etot = -9.13334912900142 +253000 ekin = 1.04657777483986 | erot = 2.09303441305998 | epot = -12.2729613170601 | etot = -9.13334912916028 +254000 ekin = 1.07373541755075 | erot = 2.14319803018483 | epot = -12.350282577099 | etot = -9.1333491293634 +255000 ekin = 1.09620163163022 | erot = 2.19430966720576 | epot = -12.423860428418 | etot = -9.13334912958205 +256000 ekin = 1.1128720642814 | erot = 2.24438579427459 | epot = -12.4906069883393 | etot = -9.13334912978327 +257000 ekin = 1.12287782510611 | erot = 2.29146665865421 | epot = -12.5476936136922 | etot = -9.13334912993191 +258000 ekin = 1.12572293500246 | erot = 2.33396623628273 | epot = -12.5930383012897 | etot = -9.13334913000448 +259000 ekin = 1.12139026023621 | erot = 2.37095948468543 | epot = -12.6256988749109 | etot = -9.13334912998925 +260000 ekin = 1.11036122819302 | erot = 2.40229658115372 | epot = -12.6460069392473 | etot = -9.13334912990051 +261000 ekin = 1.09354805445053 | erot = 2.42847877902901 | epot = -12.6553759632422 | etot = -9.13334912976261 +262000 ekin = 1.07216031825766 | erot = 2.45046938603004 | epot = -12.655978833892 | etot = -9.13334912960435 +263000 ekin = 1.04754368718277 | erot = 2.46943297797168 | epot = -12.6503257946116 | etot = -9.13334912945713 +264000 ekin = 1.02102495133818 | erot = 2.4864784463712 | epot = -12.64085252705 | etot = -9.1333491293406 +265000 ekin = 0.99378878344356 | erot = 2.5024706313637 | epot = -12.6296085440765 | etot = -9.13334912926926 +266000 ekin = 0.966800247929908 | erot = 2.51790683904988 | epot = -12.61805621623 | etot = -9.13334912925017 +267000 ekin = 0.940784249459268 | erot = 2.53283827184786 | epot = -12.6069716505894 | etot = -9.13334912928228 +268000 ekin = 0.916272152394494 | erot = 2.54684612152474 | epot = -12.5964674032729 | etot = -9.13334912935369 +269000 ekin = 0.89372217247737 | erot = 2.55907244306913 | epot = -12.5861437450345 | etot = -9.13334912948799 +270000 ekin = 0.87370928512903 | erot = 2.56799722891172 | epot = -12.5750556436016 | etot = -9.13334912956089 +271000 ekin = 0.857156433251639 | erot = 2.57226369508294 | epot = -12.5627692579077 | etot = -9.13334912957308 +272000 ekin = 0.845541083724111 | erot = 2.5709611090938 | epot = -12.5498513223264 | etot = -9.13334912950853 +273000 ekin = 0.840983736969857 | erot = 2.56364270819288 | epot = -12.5379755745172 | etot = -9.13334912935446 +274000 ekin = 0.846103061110646 | erot = 2.55054497183486 | epot = -12.5299971620892 | etot = -9.13334912914368 +275000 ekin = 0.863570741245198 | erot = 2.53260377850931 | epot = -12.5295236486809 | etot = -9.13334912892642 +276000 ekin = 0.895419299415623 | erot = 2.51114645014646 | epot = -12.5399148783702 | etot = -9.13334912880815 +277000 ekin = 0.942302359419293 | erot = 2.48734970425548 | epot = -12.563001192512 | etot = -9.13334912883719 +278000 ekin = 1.00299069941652 | erot = 2.46199112036275 | epot = -12.5983309488097 | etot = -9.13334912903046 +279000 ekin = 1.07434561589334 | erot = 2.43529774590631 | epot = -12.6429924911399 | etot = -9.13334912934022 +280000 ekin = 1.15182340984115 | erot = 2.40711596365384 | epot = -12.6922885031804 | etot = -9.13334912968536 +281000 ekin = 1.23030856581906 | erot = 2.37726964751099 | epot = -12.7409273433239 | etot = -9.13334912999385 +282000 ekin = 1.30483974879861 | erot = 2.34551973870636 | epot = -12.7837086176988 | etot = -9.13334913019381 +283000 ekin = 1.37151257999533 | erot = 2.31231452819746 | epot = -12.8171762384381 | etot = -9.13334913024529 +284000 ekin = 1.42789685319471 | erot = 2.27901843146069 | epot = -12.8402644148115 | etot = -9.13334913015614 +285000 ekin = 1.47299679574546 | erot = 2.24762833985691 | epot = -12.8539742655639 | etot = -9.13334912996152 +286000 ekin = 1.50701906587772 | erot = 2.22050056283213 | epot = -12.8608687584216 | etot = -9.13334912971172 +287000 ekin = 1.53099472144828 | erot = 2.19999584806399 | epot = -12.8643396989721 | etot = -9.13334912945983 +288000 ekin = 1.54636449768928 | erot = 2.18811490987408 | epot = -12.867828536815 | etot = -9.13334912925162 +289000 ekin = 1.55461163491245 | erot = 2.18618804174281 | epot = -12.8741488057737 | etot = -9.13334912911842 +290000 ekin = 1.55699428674702 | erot = 2.19466879450533 | epot = -12.885012210327 | etot = -9.13334912907464 +291000 ekin = 1.55439775255665 | erot = 2.21306131817934 | epot = -12.9008081998537 | etot = -9.13334912911775 +292000 ekin = 1.54729960240266 | erot = 2.2399831442194 | epot = -12.9206318758542 | etot = -9.13334912923217 +293000 ekin = 1.53582108608398 | erot = 2.27333490842332 | epot = -12.9425051239027 | etot = -9.13334912939539 +294000 ekin = 1.51982864506158 | erot = 2.31049721096826 | epot = -12.9636749856261 | etot = -9.1333491295963 +295000 ekin = 1.49905154213301 | erot = 2.34851873983899 | epot = -12.9809194117664 | etot = -9.13334912979436 +296000 ekin = 1.47319364802762 | erot = 2.38443281021029 | epot = -12.9909755882216 | etot = -9.1333491299837 +297000 ekin = 1.44203124545927 | erot = 2.41536854589898 | epot = -12.9907489215093 | etot = -9.13334913015106 +298000 ekin = 1.40549976702035 | erot = 2.43867409046045 | epot = -12.9775229877645 | etot = -9.1333491302837 +299000 ekin = 1.36377241662742 | erot = 2.45204871800392 | epot = -12.9491702649994 | etot = -9.13334913036807 +300000 ekin = 1.3173271191209 | erot = 2.45368408092518 | epot = -12.904360330438 | etot = -9.13334913039193 +301000 ekin = 1.26699022414646 | erot = 2.44240353914543 | epot = -12.8427428936391 | etot = -9.13334913034725 +302000 ekin = 1.21394210637081 | erot = 2.41777278592915 | epot = -12.7650640225325 | etot = -9.13334913023257 +303000 ekin = 1.15967414429252 | erot = 2.38015189683622 | epot = -12.673175171184 | etot = -9.13334913005528 +304000 ekin = 1.10589726251214 | erot = 2.33066939618148 | epot = -12.5699157885239 | etot = -9.13334912983026 +305000 ekin = 1.05441504199182 | erot = 2.27111808933713 | epot = -12.4588822609061 | etot = -9.13334912957715 +306000 ekin = 1.00698421397077 | erot = 2.20379218514084 | epot = -12.3441255284277 | etot = -9.13334912931605 +307000 ekin = 0.965188337626888 | erot = 2.13129764385469 | epot = -12.2298351105458 | etot = -9.1333491290642 +308000 ekin = 0.930345631943897 | erot = 2.05636814615661 | epot = -12.1200629069343 | etot = -9.13334912883379 +309000 ekin = 0.903461768092468 | erot = 1.98167791132994 | epot = -12.0184888080557 | etot = -9.13334912863331 +310000 ekin = 0.885228515007583 | erot = 1.90967870211724 | epot = -11.9282563455905 | etot = -9.13334912846572 +311000 ekin = 0.876047647700123 | erot = 1.84263812610218 | epot = -11.8520349021355 | etot = -9.1333491283332 +312000 ekin = 0.876068182198715 | erot = 1.78248869457073 | epot = -11.7919060050089 | etot = -9.1333491282394 +313000 ekin = 0.885223985969676 | erot = 1.73072892882416 | epot = -11.749302042984 | etot = -9.13334912819014 +314000 ekin = 0.903258342514934 | erot = 1.68832066988553 | epot = -11.724928140593 | etot = -9.13334912819258 +315000 ekin = 0.929731391718292 | erot = 1.65558558099914 | epot = -11.7186661009715 | etot = -9.13334912825407 +316000 ekin = 0.964013828970557 | erot = 1.63211973509223 | epot = -11.7294826924421 | etot = -9.13334912837931 +317000 ekin = 1.00527629211667 | erot = 1.61675326466648 | epot = -11.7553786853505 | etot = -9.13334912856736 +318000 ekin = 1.05248736450128 | erot = 1.6075857094073 | epot = -11.7934222027177 | etot = -9.13334912880913 +319000 ekin = 1.10443332868131 | erot = 1.60212494474658 | epot = -11.8399074025131 | etot = -9.13334912908516 +320000 ekin = 1.15976924920824 | erot = 1.59754526105528 | epot = -11.8906636396291 | etot = -9.13334912936554 +321000 ekin = 1.21710352305667 | erot = 1.59105554518265 | epot = -11.9415081978536 | etot = -9.1333491296143 +322000 ekin = 1.2751075118946 | erot = 1.58033324923157 | epot = -11.9887898909214 | etot = -9.13334912979523 +323000 ekin = 1.33263084645693 | erot = 1.56394390937382 | epot = -12.0299238857114 | etot = -9.13334912988067 +324000 ekin = 1.3887959071219 | erot = 1.54164678485252 | epot = -12.0637918218343 | etot = -9.13334912985991 +325000 ekin = 1.4430462367968 | erot = 1.51450056885254 | epot = -12.0908959353913 | etot = -9.13334912974193 +326000 ekin = 1.49513435445647 | erot = 1.48473073066021 | epot = -12.1132142146706 | etot = -9.13334912955392 +327000 ekin = 1.54505065938307 | erot = 1.45538400860302 | epot = -12.1337837973213 | etot = -9.13334912933518 +328000 ekin = 1.59290981434211 | erot = 1.42984788209296 | epot = -12.1561068255636 | etot = -9.13334912912848 +329000 ekin = 1.6388186097558 | erot = 1.41133335467746 | epot = -12.1835010934061 | etot = -9.1333491289728 +330000 ekin = 1.6827489618305 | erot = 1.40240729591298 | epot = -12.2185053866417 | etot = -9.13334912889822 +331000 ekin = 1.72443467169521 | erot = 1.40463116341981 | epot = -12.2624149640393 | etot = -9.13334912892428 +332000 ekin = 1.76330533674286 | erot = 1.41833479327414 | epot = -12.3149892590744 | etot = -9.13334912905745 +333000 ekin = 1.79846823309252 | erot = 1.44253834966185 | epot = -12.3743557120445 | etot = -9.13334912929011 +334000 ekin = 1.8287490059107 | erot = 1.47503277033816 | epot = -12.4371309058477 | etot = -9.13334912959887 +335000 ekin = 1.85279616115795 | erot = 1.51263570197463 | epot = -12.4987809930765 | etot = -9.13334912994388 +336000 ekin = 1.8692763055875 | erot = 1.55160162438115 | epot = -12.5542270602387 | etot = -9.13334913027 +337000 ekin = 1.87711735413911 | erot = 1.58820049773275 | epot = -12.5986669823878 | etot = -9.1333491305159 +338000 ekin = 1.87574840923148 | erot = 1.61938868722871 | epot = -12.6284862270852 | etot = -9.13334913062505 +339000 ekin = 1.86534866362706 | erot = 1.64338736517787 | epot = -12.6420851593668 | etot = -9.13334913056187 +340000 ekin = 1.84695798886985 | erot = 1.66009075059703 | epot = -12.6403978697904 | etot = -9.13334913032354 +341000 ekin = 1.82243969076648 | erot = 1.67114820362537 | epot = -12.6269370243338 | etot = -9.13334912994199 +342000 ekin = 1.79428655955884 | erot = 1.67969211618856 | epot = -12.6073278052239 | etot = -9.13334912947647 +343000 ekin = 1.76531632972554 | erot = 1.68978090506835 | epot = -12.588446363791 | etot = -9.13334912899712 +344000 ekin = 1.73833039739303 | erot = 1.70570000746982 | epot = -12.5773795334337 | etot = -9.13334912857081 +345000 ekin = 1.71580589060296 | erot = 1.73127559556315 | epot = -12.5804306144157 | etot = -9.13334912824961 +346000 ekin = 1.69966353097621 | erot = 1.76931234934753 | epot = -12.6023250083918 | etot = -9.13334912806805 +347000 ekin = 1.69112042623312 | erot = 1.82120184302293 | epot = -12.6456713973011 | etot = -9.13334912804505 +348000 ekin = 1.69061396982785 | erot = 1.88669704033651 | epot = -12.7106601383518 | etot = -9.13334912818742 +349000 ekin = 1.69777681788225 | erot = 1.9638292686625 | epot = -12.7949552150365 | etot = -9.13334912849176 +350000 ekin = 1.7114511501027 | erot = 2.04895591402613 | epot = -12.8937561930722 | etot = -9.1333491289434 +351000 ekin = 1.72974629646184 | erot = 2.13695636910572 | epot = -13.0000517950785 | etot = -9.13334912951095 +352000 ekin = 1.75015893903934 | erot = 2.2216200845667 | epot = -13.1051281537469 | etot = -9.13334913014089 +353000 ekin = 1.7697803490554 | erot = 2.29627029646019 | epot = -13.199399776273 | etot = -9.1333491307574 +354000 ekin = 1.78560210911933 | erot = 2.35462017023432 | epot = -13.2735714106214 | etot = -9.13334913126776 +355000 ekin = 1.79489785472807 | erot = 2.39176336004151 | epot = -13.320010346352 | etot = -9.13334913158243 +356000 ekin = 1.79561393246548 | erot = 2.40509186859473 | epot = -13.3340549327002 | etot = -9.13334913163996 +357000 ekin = 1.78667091072583 | erot = 2.3948761413485 | epot = -13.3148961835033 | etot = -9.13334913142896 +358000 ekin = 1.76810167230458 | erot = 2.36429897994071 | epot = -13.2657497831709 | etot = -9.13334913092556 +359000 ekin = 1.74170569044632 | erot = 2.31907684809542 | epot = -13.1941316689276 | etot = -9.13334913038585 +360000 ekin = 1.70943632676121 | erot = 2.26611368397199 | epot = -13.1088991405408 | etot = -9.13334912980763 +361000 ekin = 1.67315005965374 | erot = 2.21234166615766 | epot = -13.0188408550985 | etot = -9.13334912928712 +362000 ekin = 1.63480994001495 | erot = 2.1637688737988 | epot = -12.9319279427063 | etot = -9.13334912889251 +363000 ekin = 1.59622606057464 | erot = 2.12469986683822 | epot = -12.8542750560708 | etot = -9.13334912865792 +364000 ekin = 1.55890205833711 | erot = 2.09734631559854 | epot = -12.789597502522 | etot = -9.13334912858635 +365000 ekin = 1.52397421076708 | erot = 2.08181308416768 | epot = -12.7391364235921 | etot = -9.13334912865734 +366000 ekin = 1.49221260733957 | erot = 2.07639009796262 | epot = -12.7019518341362 | etot = -9.13334912883398 +367000 ekin = 1.46405952364913 | erot = 2.07805510122222 | epot = -12.6754637539446 | etot = -9.13334912907327 +368000 ekin = 1.4396772693236 | erot = 2.08307216057651 | epot = -12.6560985592346 | etot = -9.13334912933452 +369000 ekin = 1.4189901081147 | erot = 2.08756917147321 | epot = -12.6399084091739 | etot = -9.13334912958597 +370000 ekin = 1.40171557356763 | erot = 2.08800173652916 | epot = -12.6230664399032 | etot = -9.1333491298064 +371000 ekin = 1.38739280854876 | erot = 2.08146226240655 | epot = -12.6022042009382 | etot = -9.13334912998285 +372000 ekin = 1.37542340308599 | erot = 2.06585193702345 | epot = -12.5746244702146 | etot = -9.13334913010515 +373000 ekin = 1.36513752357922 | erot = 2.03996886737141 | epot = -12.5384555211136 | etot = -9.13334913016301 +374000 ekin = 1.35583949105178 | erot = 2.00351975772439 | epot = -12.4927083789467 | etot = -9.1333491301705 +375000 ekin = 1.34694157711448 | erot = 1.95716038268523 | epot = -12.4374510898687 | etot = -9.133349130069 +376000 ekin = 1.33814968105251 | erot = 1.90258032253295 | epot = -12.3740791334836 | etot = -9.13334912989819 +377000 ekin = 1.32936261120791 | erot = 1.8422726572518 | epot = -12.3049843981374 | etot = -9.13334912967769 +378000 ekin = 1.3206315999133 | erot = 1.77926043318984 | epot = -12.2332411625432 | etot = -9.13334912944002 +379000 ekin = 1.31208340368839 | erot = 1.71672941783581 | epot = -12.1621619507412 | etot = -9.13334912921698 +380000 ekin = 1.30384179784195 | erot = 1.65764204155733 | epot = -12.0948329684337 | etot = -9.13334912903439 +381000 ekin = 1.2965791747582 | erot = 1.60487100826636 | epot = -12.0347993118453 | etot = -9.13334912882077 +382000 ekin = 1.29092190134689 | erot = 1.56061067707034 | epot = -11.9848817072435 | etot = -9.1333491288263 +383000 ekin = 1.28620909068431 | erot = 1.52536833769959 | epot = -11.9449265572238 | etot = -9.13334912883987 +384000 ekin = 1.28205683099651 | erot = 1.4992280616878 | epot = -11.914634021517 | etot = -9.13334912883267 +385000 ekin = 1.27850478017905 | erot = 1.4821618914478 | epot = -11.8940158004154 | etot = -9.13334912878854 +386000 ekin = 1.27603762174048 | erot = 1.47423730492973 | epot = -11.8836240553815 | etot = -9.13334912871131 +387000 ekin = 1.27548287271979 | erot = 1.47565716104701 | epot = -11.8844891623916 | etot = -9.13334912862484 +388000 ekin = 1.2778004458587 | erot = 1.4866096409739 | epot = -11.8977592154001 | etot = -9.1333491285675 +389000 ekin = 1.28381262703675 | erot = 1.50697425852375 | epot = -11.9241360141402 | etot = -9.13334912857974 +390000 ekin = 1.29393930260966 | erot = 1.53598035068215 | epot = -11.9632687819878 | etot = -9.13334912869599 +391000 ekin = 1.3080007445623 | erot = 1.57190984924413 | epot = -12.0132597227366 | etot = -9.13334912893016 +392000 ekin = 1.32513099179581 | erot = 1.61197584867668 | epot = -12.0704559697456 | etot = -9.13334912927313 +393000 ekin = 1.3438254300028 | erot = 1.65241448883335 | epot = -12.1295890485272 | etot = -9.13334912969108 +394000 ekin = 1.36212102398765 | erot = 1.68881012624681 | epot = -12.1842802803645 | etot = -9.13334913013003 +395000 ekin = 1.37788072140428 | erot = 1.71661593053968 | epot = -12.2278457824692 | etot = -9.13334913052525 +396000 ekin = 1.38913154512495 | erot = 1.73181112618257 | epot = -12.2542918021061 | etot = -9.1333491307986 +397000 ekin = 1.39439357479808 | erot = 1.73153617598979 | epot = -12.2592788817216 | etot = -9.13334913093374 +398000 ekin = 1.39293904659231 | erot = 1.71441550438671 | epot = -12.2407036818562 | etot = -9.13334913087719 +399000 ekin = 1.38493174777457 | erot = 1.680947663508 | epot = -12.1992285419457 | etot = -9.1333491306631 +400000 ekin = 1.37142116074094 | erot = 1.63330764197803 | epot = -12.1380779330257 | etot = -9.13334913030669 +401000 ekin = 1.35412991252425 | erot = 1.57501044311623 | epot = -12.062489485534 | etot = -9.13334912989352 +402000 ekin = 1.3351799185687 | erot = 1.51048364979967 | epot = -11.979012697774 | etot = -9.13334912940564 +403000 ekin = 1.31709653187235 | erot = 1.44458891478846 | epot = -11.8950345756004 | etot = -9.13334912893958 +404000 ekin = 1.30234590493842 | erot = 1.38198365576689 | epot = -11.8176786892416 | etot = -9.13334912853627 +405000 ekin = 1.29301391716245 | erot = 1.32673455588811 | epot = -11.7530976012896 | etot = -9.13334912823905 +406000 ekin = 1.29065467462772 | erot = 1.2820411643635 | epot = -11.7060449670181 | etot = -9.13334912802684 +407000 ekin = 1.2964323729479 | erot = 1.25006436588412 | epot = -11.6798458667523 | etot = -9.13334912792027 +408000 ekin = 1.31094700615256 | erot = 1.2319098672154 | epot = -11.6762060012851 | etot = -9.13334912791717 +409000 ekin = 1.33422438303383 | erot = 1.22763489752287 | epot = -11.6952084085727 | etot = -9.13334912801602 +410000 ekin = 1.36572014154981 | erot = 1.23628017302536 | epot = -11.7353494427884 | etot = -9.13334912821327 +411000 ekin = 1.40432668760791 | erot = 1.25592548503606 | epot = -11.7936013011463 | etot = -9.13334912850236 +412000 ekin = 1.44839088645893 | erot = 1.28379672627876 | epot = -11.8655367416066 | etot = -9.13334912886888 +413000 ekin = 1.49576795241879 | erot = 1.3164603274893 | epot = -11.9455774091926 | etot = -9.13334912928451 +414000 ekin = 1.54394920889486 | erot = 1.35014055217834 | epot = -12.027438890778 | etot = -9.13334912970475 +415000 ekin = 1.59029421705179 | erot = 1.38116660571118 | epot = -12.1048099528345 | etot = -9.13334913007151 +416000 ekin = 1.63235973909122 | erot = 1.40649922749203 | epot = -12.1722080969095 | etot = -9.13334913032622 +417000 ekin = 1.66825800489225 | erot = 1.42422016761049 | epot = -12.2258273029358 | etot = -9.13334913043303 +418000 ekin = 1.69693219837238 | erot = 1.43381449957335 | epot = -12.2640958283212 | etot = -9.13334913037547 +419000 ekin = 1.71824951894782 | erot = 1.43620625779461 | epot = -12.2878049069275 | etot = -9.13334913018508 +420000 ekin = 1.73288337430553 | erot = 1.4335082535061 | epot = -12.2997407577237 | etot = -9.13334912991204 +421000 ekin = 1.74204129532355 | erot = 1.42856028674781 | epot = -12.3039507116824 | etot = -9.13334912961099 +422000 ekin = 1.74713701807683 | erot = 1.42445618730668 | epot = -12.3049423347118 | etot = -9.13334912932833 +423000 ekin = 1.74949063384674 | erot = 1.42413436044253 | epot = -12.3069741233944 | etot = -9.13334912910517 +424000 ekin = 1.7500975464296 | erot = 1.43005641925039 | epot = -12.3135030946277 | etot = -9.13334912894769 +425000 ekin = 1.74947257256668 | erot = 1.44412400802246 | epot = -12.3269457094741 | etot = -9.13334912888491 +426000 ekin = 1.69664946387263 | erot = 1.40011304962393 | epot = -12.230111634597 | etot = -9.13334912110046 +427000 ekin = 1.76448154346123 | erot = 1.46695774970364 | epot = -12.3647884699851 | etot = -9.13334917682027 +428000 ekin = 1.77864040382666 | erot = 1.51204937412276 | epot = -12.4240389057584 | etot = -9.13334912780898 +429000 ekin = 1.77744254090577 | erot = 1.55645173379945 | epot = -12.4672434028109 | etot = -9.13334912810564 +430000 ekin = 1.76864481713832 | erot = 1.60567169371254 | epot = -12.5076656392898 | etot = -9.13334912843893 +431000 ekin = 1.7504144399296 | erot = 1.65655638514225 | epot = -12.5403199538346 | etot = -9.13334912876274 +432000 ekin = 1.72143753020831 | erot = 1.70559294341405 | epot = -12.5603796026451 | etot = -9.13334912902271 +433000 ekin = 1.68129756274101 | erot = 1.74934007551191 | epot = -12.5639867674192 | etot = -9.13334912916631 +434000 ekin = 1.63077650979853 | erot = 1.78490039303337 | epot = -12.549026031988 | etot = -9.13334912915609 +435000 ekin = 1.57198882084381 | erot = 1.81033246556218 | epot = -12.5156704153879 | etot = -9.13334912898188 +436000 ekin = 1.50828072851379 | erot = 1.82489908961103 | epot = -12.4665289467912 | etot = -9.13334912866637 +437000 ekin = 1.44388315301155 | erot = 1.82908776307981 | epot = -12.4063200443511 | etot = -9.13334912825977 +438000 ekin = 1.38337900429669 | erot = 1.82441107452496 | epot = -12.341139206648 | etot = -9.13334912782634 +439000 ekin = 1.33110407576205 | erot = 1.8130669450403 | epot = -12.2775201482284 | etot = -9.13334912742604 +440000 ekin = 1.29061754889013 | erot = 1.79757475508295 | epot = -12.2215414310745 | etot = -9.13334912710145 +441000 ekin = 1.26434687832198 | erot = 1.78048600607314 | epot = -12.1781820112667 | etot = -9.13334912687157 +442000 ekin = 1.2534498503799 | erot = 1.76421040799336 | epot = -12.1510093851086 | etot = -9.13334912673532 +443000 ekin = 1.25787308938493 | erot = 1.75093400476591 | epot = -12.1421562208312 | etot = -9.13334912668041 +444000 ekin = 1.27654491138898 | erot = 1.74256727851903 | epot = -12.1524613166026 | etot = -9.13334912669464 +445000 ekin = 1.30762960642584 | erot = 1.74066161516913 | epot = -12.1816403483655 | etot = -9.1333491267705 +446000 ekin = 1.34878485335343 | erot = 1.74626611356976 | epot = -12.2284000938288 | etot = -9.13334912690563 +447000 ekin = 1.39739993763858 | erot = 1.7597479345797 | epot = -12.2904969993197 | etot = -9.13334912710141 +448000 ekin = 1.45076649191025 | erot = 1.78060717934041 | epot = -12.3647227986042 | etot = -9.13334912735352 +449000 ekin = 1.50623999605478 | erot = 1.80738848344613 | epot = -12.4469776071518 | etot = -9.13334912765089 +450000 ekin = 1.56138908054711 | erot = 1.83773497344263 | epot = -12.532473181962 | etot = -9.13334912797229 +451000 ekin = 1.61412412964626 | erot = 1.86859865234344 | epot = -12.6160719102778 | etot = -9.13334912828812 +452000 ekin = 1.66280931630206 | erot = 1.89658548036298 | epot = -12.6927439252293 | etot = -9.13334912856426 +453000 ekin = 1.70634971637175 | erot = 1.91837476586721 | epot = -12.7580736110117 | etot = -9.13334912877277 +454000 ekin = 1.74423056750446 | erot = 1.93111374790554 | epot = -12.8086934443065 | etot = -9.13334912889654 +455000 ekin = 1.77648988409962 | erot = 1.93270291378094 | epot = -12.8425419268145 | etot = -9.13334912893392 +456000 ekin = 1.80361911556815 | erot = 1.92192628287717 | epot = -12.8588945273429 | etot = -9.13334912889758 +457000 ekin = 1.82640016706293 | erot = 1.89842961389858 | epot = -12.8581789097711 | etot = -9.13334912880958 +458000 ekin = 1.84570455026014 | erot = 1.86259298695662 | epot = -12.8416466659131 | etot = -9.13334912869634 +459000 ekin = 1.86229070171023 | erot = 1.81535342315067 | epot = -12.81099325344 | etot = -9.13334912857905 +460000 ekin = 1.87663848085934 | erot = 1.75803306182718 | epot = -12.7680206711614 | etot = -9.1333491284749 +461000 ekin = 1.88883864523247 | erot = 1.69219746384243 | epot = -12.7143852374653 | etot = -9.13334912839042 +462000 ekin = 1.89856203652347 | erot = 1.61956678027398 | epot = -12.6514779451233 | etot = -9.13334912832583 +463000 ekin = 1.90510221764509 | erot = 1.54196437877821 | epot = -12.5804157247008 | etot = -9.13334912827746 +464000 ekin = 1.90747686786675 | erot = 1.46127993198476 | epot = -12.5021059280876 | etot = -9.13334912823606 +465000 ekin = 1.90457977356165 | erot = 1.3794607009175 | epot = -12.4173896026663 | etot = -9.13334912818713 +466000 ekin = 1.89536572152317 | erot = 1.29851485172186 | epot = -12.3272297013678 | etot = -9.13334912812279 +467000 ekin = 1.8790183170995 | erot = 1.22048659414428 | epot = -12.232854039281 | etot = -9.13334912803722 +468000 ekin = 1.85509917792015 | erot = 1.147391262841 | epot = -12.1358395686905 | etot = -9.1333491279294 +469000 ekin = 1.82366605107261 | erot = 1.08110787535143 | epot = -12.0381230542277 | etot = -9.13334912780364 +470000 ekin = 1.78535216075537 | erot = 1.02324127043735 | epot = -11.9419425588581 | etot = -9.13334912766542 +471000 ekin = 1.74141051513297 | erot = 0.974982090044234 | epot = -11.8497417326976 | etot = -9.13334912752035 +472000 ekin = 1.69372019705842 | erot = 0.937000644455532 | epot = -11.7640699688868 | etot = -9.13334912737288 +473000 ekin = 1.6447363277088 | erot = 0.909402534932388 | epot = -11.6874879898697 | etot = -9.13334912722851 +474000 ekin = 1.59734995177274 | erot = 0.89175501843202 | epot = -11.6224540973017 | etot = -9.13334912709692 +475000 ekin = 1.55462885495176 | erot = 0.883174765260651 | epot = -11.5711527472053 | etot = -9.13334912699285 +476000 ekin = 1.51944866261102 | erot = 0.88245988856996 | epot = -11.5352576781141 | etot = -9.13334912693313 +477000 ekin = 1.4940824352899 | erot = 0.888250161717166 | epot = -11.5156817239363 | etot = -9.13334912692924 +478000 ekin = 1.47985622585605 | erot = 0.899197335532983 | epot = -11.5124026883723 | etot = -9.13334912698329 +479000 ekin = 1.4769537395284 | erot = 0.914115348457546 | epot = -11.5244182150811 | etot = -9.13334912709511 +480000 ekin = 1.48439477575458 | erot = 0.932072516620843 | epot = -11.5498164196191 | etot = -9.13334912724368 +481000 ekin = 1.50022741217527 | erot = 0.952423999184045 | epot = -11.586000538783 | etot = -9.13334912742371 +482000 ekin = 1.52172985963443 | erot = 0.974754211846249 | epot = -11.6298331991085 | etot = -9.13334912762786 +483000 ekin = 1.54567018241522 | erot = 0.998770450814447 | epot = -11.6777897610768 | etot = -9.13334912784716 +484000 ekin = 1.56858614723106 | erot = 1.02419763510823 | epot = -11.7261329104093 | etot = -9.13334912807003 +485000 ekin = 1.58707346955088 | erot = 1.05070585623107 | epot = -11.7711284540628 | etot = -9.1333491282808 +486000 ekin = 1.598071036031 | erot = 1.07788995424652 | epot = -11.8093101187388 | etot = -9.13334912846124 +487000 ekin = 1.59911980804437 | erot = 1.10529931942143 | epot = -11.83776825606 | etot = -9.13334912859421 +488000 ekin = 1.58856342116656 | erot = 1.13249736396192 | epot = -11.8544099137967 | etot = -9.13334912866827 +489000 ekin = 1.56566142904702 | erot = 1.15911683125775 | epot = -11.8581273889848 | etot = -9.13334912867998 +490000 ekin = 1.53060268554657 | erot = 1.18488502427314 | epot = -11.8488368384544 | etot = -9.13334912863472 +491000 ekin = 1.48443427069478 | erot = 1.20959914015972 | epot = -11.8273825393283 | etot = -9.13334912847376 +492000 ekin = 1.4293034535446 | erot = 1.23291829593332 | epot = -11.7955708778633 | etot = -9.13334912838534 +493000 ekin = 1.36749564145159 | erot = 1.25438544605084 | epot = -11.7552302157792 | etot = -9.1333491282768 +494000 ekin = 1.30137262988081 | erot = 1.27348228002541 | epot = -11.7082040380626 | etot = -9.13334912815639 +495000 ekin = 1.23360970817014 | erot = 1.28954660636146 | epot = -11.6565054425603 | etot = -9.13334912802866 +496000 ekin = 1.1637554864094 | erot = 1.3002319560863 | epot = -11.5973366205416 | etot = -9.13334917804587 +497000 ekin = 1.02574644939812 | erot = 1.24927230426314 | epot = -11.4083678755048 | etot = -9.13334912184354 +498000 ekin = 1.13339044616265 | erot = 1.24939677704399 | epot = -11.5161363891156 | etot = -9.13334916590892 +499000 ekin = 1.16434762393176 | erot = 1.25864673154956 | epot = -11.5563434800389 | etot = -9.13334912455754 +500000 ekin = 1.16768486506669 | erot = 1.25769344443893 | epot = -11.5587274345819 | etot = -9.13334912507627 +501000 ekin = 1.1755989549741 | erot = 1.25038915442576 | epot = -11.5593372343042 | etot = -9.13334912490429 +502000 ekin = 1.18926606273772 | erot = 1.23784323633009 | epot = -11.5604584237502 | etot = -9.13334912468237 +503000 ekin = 1.20982408114765 | erot = 1.22204157664294 | epot = -11.5652147822317 | etot = -9.1333491244411 +504000 ekin = 1.23811782736855 | erot = 1.20572865378404 | epot = -11.5771956053581 | etot = -9.1333491242055 +505000 ekin = 1.27460966228592 | erot = 1.19199209322116 | epot = -11.5999508795095 | etot = -9.13334912400242 +506000 ekin = 1.319280478194 | erot = 1.18393687677866 | epot = -11.636566478829 | etot = -9.13334912385632 +507000 ekin = 1.37157700900311 | erot = 1.18435118386577 | epot = -11.6892773166534 | etot = -9.13334912378454 +508000 ekin = 1.43042502721353 | erot = 1.19541187481578 | epot = -11.7591860258239 | etot = -9.13334912379463 +509000 ekin = 1.49431413372674 | erot = 1.21846596295653 | epot = -11.846129220568 | etot = -9.13334912388472 +510000 ekin = 1.56143815899816 | erot = 1.25390781315388 | epot = -11.948695096197 | etot = -9.133349124045 +511000 ekin = 1.6298540535938 | erot = 1.30115550673976 | epot = -12.064358684596 | etot = -9.13334912426245 +512000 ekin = 1.69760948238301 | erot = 1.35871536004267 | epot = -12.189673966951 | etot = -9.13334912452536 +513000 ekin = 1.76279412854663 | erot = 1.42431355746706 | epot = -12.32045681084 | etot = -9.13334912482629 +514000 ekin = 1.8234997843411 | erot = 1.49507387317685 | epot = -12.4519227826779 | etot = -9.13334912515993 +515000 ekin = 1.87772649131639 | erot = 1.56773414235994 | epot = -12.5788097591916 | etot = -9.13334912551528 +516000 ekin = 1.92332299298445 | erot = 1.63891274675724 | epot = -12.6955848656088 | etot = -9.13334912586715 +517000 ekin = 1.95805681102012 | erot = 1.70543998933825 | epot = -12.7968459265329 | etot = -9.13334912617454 +518000 ekin = 1.9798499194696 | erot = 1.76473849815008 | epot = -12.877937544009 | etot = -9.13334912638928 +519000 ekin = 1.98711819296642 | erot = 1.81518192784633 | epot = -12.935649247285 | etot = -9.13334912647229 +520000 ekin = 1.97908911077148 | erot = 1.85632478174803 | epot = -12.9687630189332 | etot = -9.13334912641371 +521000 ekin = 1.95594858056338 | erot = 1.88892760796433 | epot = -12.9782253147555 | etot = -9.13334912622781 +522000 ekin = 1.91881161738128 | erot = 1.91475582237251 | epot = -12.9669165657063 | etot = -9.13334912595252 +523000 ekin = 1.86954045343242 | erot = 1.93620351350113 | epot = -12.9390930925708 | etot = -9.13334912563722 +524000 ekin = 1.81047332181658 | erot = 1.95582271021995 | epot = -12.8996451573697 | etot = -9.13334912533321 +525000 ekin = 1.74413482435669 | erot = 1.97582576721489 | epot = -12.8533097166597 | etot = -9.1333491250881 +526000 ekin = 1.67297434024897 | erot = 1.99761678040369 | epot = -12.8039402455923 | etot = -9.13334912493961 +527000 ekin = 1.59916865616169 | erot = 2.02141684187556 | epot = -12.7539346229454 | etot = -9.13334912490811 +528000 ekin = 1.52452149634617 | erot = 2.04605877912529 | epot = -12.7039294004615 | etot = -9.13334912499007 +529000 ekin = 1.45048141637983 | erot = 2.06903286947734 | epot = -12.6528634110109 | etot = -9.13334912515376 +530000 ekin = 1.37827485203287 | erot = 2.08683821122988 | epot = -12.5984621886054 | etot = -9.13334912534265 +531000 ekin = 1.30911544825075 | erot = 2.09562136598055 | epot = -12.5380859397193 | etot = -9.13334912548803 +532000 ekin = 1.24441932206786 | erot = 2.09198653946119 | epot = -12.4697549870569 | etot = -9.13334912552781 +533000 ekin = 1.18594679653044 | erot = 2.07377924595274 | epot = -12.3930751679086 | etot = -9.13334912542548 +534000 ekin = 1.13581312461263 | erot = 2.0406294195994 | epot = -12.3097916693919 | etot = -9.1333491251799 +535000 ekin = 1.09635528031307 | erot = 1.99411201499304 | epot = -12.2238164201304 | etot = -9.13334912482426 +536000 ekin = 1.06988655695491 | erot = 1.93750945181173 | epot = -12.1407451331816 | etot = -9.13334912441493 +537000 ekin = 1.05839509271157 | erot = 1.87547351818365 | epot = -12.0672177348899 | etot = -9.13334912399464 +538000 ekin = 1.06323891385424 | erot = 1.81331424698259 | epot = -12.0099022845169 | etot = -9.13334912368006 +539000 ekin = 1.08487929969898 | erot = 1.75562392314494 | epot = -11.9738523463387 | etot = -9.13334912349475 +540000 ekin = 1.12268189022913 | erot = 1.70611667318299 | epot = -11.9621476868877 | etot = -9.13334912347558 +541000 ekin = 1.17481105395823 | erot = 1.66717481230683 | epot = -11.9753349899048 | etot = -9.13334912363973 +542000 ekin = 1.23824417790918 | erot = 1.63956314455086 | epot = -12.0111564464407 | etot = -9.13334912398066 +543000 ekin = 1.30892832432052 | erot = 1.62236761446585 | epot = -12.0646450632503 | etot = -9.13334912446392 +544000 ekin = 1.3820851450754 | erot = 1.61318872881531 | epot = -12.1286229989223 | etot = -9.13334912503159 +545000 ekin = 1.45263801176102 | erot = 1.60857948401649 | epot = -12.1945666213852 | etot = -9.13334912560772 +546000 ekin = 1.51570974605596 | erot = 1.60467377472834 | epot = -12.2537326468962 | etot = -9.13334912611191 +547000 ekin = 1.56711452712151 | erot = 1.59788800381725 | epot = -12.2983516574146 | etot = -9.13334912647585 +548000 ekin = 1.6037622182793 | erot = 1.58554162816792 | epot = -12.3226529731044 | etot = -9.13334912665713 +549000 ekin = 1.62391041626105 | erot = 1.56625626421421 | epot = -12.3235158071224 | etot = -9.13334912664713 +550000 ekin = 1.62723358008848 | erot = 1.54012357328806 | epot = -12.3007062798233 | etot = -9.13334912644672 +551000 ekin = 1.61471889891519 | erot = 1.50851459570911 | epot = -12.2565826207701 | etot = -9.13334912614583 +552000 ekin = 1.58843016682235 | erot = 1.47348936384422 | epot = -12.1952686564379 | etot = -9.1333491257713 +553000 ekin = 1.55120098109793 | erot = 1.43753302719219 | epot = -12.1220831336608 | etot = -9.13334912537071 +554000 ekin = 1.50631636213018 | erot = 1.40318755323333 | epot = -12.0428530403429 | etot = -9.13334912497942 +555000 ekin = 1.45722878986335 | erot = 1.37279698200099 | epot = -11.9633748964853 | etot = -9.133349124621 +556000 ekin = 1.40732293284981 | erot = 1.34837590639181 | epot = -11.8890479635491 | etot = -9.13334912430749 +557000 ekin = 1.35973750772659 | erot = 1.33157707039056 | epot = -11.8246637021612 | etot = -9.13334912404406 +558000 ekin = 1.31723590732733 | erot = 1.32371628032833 | epot = -11.7743013114885 | etot = -9.13334912383284 +559000 ekin = 1.28211028308911 | erot = 1.32580526483835 | epot = -11.7412646716049 | etot = -9.13334912367748 +560000 ekin = 1.25610590404642 | erot = 1.3385562626596 | epot = -11.7280112902903 | etot = -9.13334912358425 +561000 ekin = 1.2403584426308 | erot = 1.36234138770357 | epot = -11.7360489538959 | etot = -9.13334912356153 +562000 ekin = 1.23534624012421 | erot = 1.39711468447432 | epot = -11.7658100482156 | etot = -9.1333491236171 +563000 ekin = 1.24087113988208 | erot = 1.44233150298232 | epot = -11.8165517666162 | etot = -9.13334912375181 +564000 ekin = 1.25609129142822 | erot = 1.49691875867446 | epot = -11.8863591740572 | etot = -9.13334912395452 +565000 ekin = 1.27963015842373 | erot = 1.55937933470843 | epot = -11.9723586173214 | etot = -9.13334912418923 +566000 ekin = 1.30976945418227 | erot = 1.62795664725703 | epot = -12.0710752258883 | etot = -9.13334912444901 +567000 ekin = 1.34469873511096 | erot = 1.70073738336496 | epot = -12.1787852431675 | etot = -9.13334912469163 +568000 ekin = 1.38275779930543 | erot = 1.77591787229575 | epot = -12.2920247965067 | etot = -9.13334912490556 +569000 ekin = 1.42260294142073 | erot = 1.85183127901208 | epot = -12.407783345528 | etot = -9.13334912509522 +570000 ekin = 1.46311433095821 | erot = 1.92670412003837 | epot = -12.5231675763648 | etot = -9.13334912536826 +571000 ekin = 1.503277533287 | erot = 1.998531008796 | epot = -12.6351576677647 | etot = -9.13334912568171 +572000 ekin = 1.54192966726487 | erot = 2.06497613728929 | epot = -12.7402549304297 | etot = -9.1333491258755 +573000 ekin = 1.57823855406826 | erot = 2.12427016695721 | epot = -12.8358578469833 | etot = -9.13334912595785 +574000 ekin = 1.61207502224162 | erot = 2.1757020138028 | epot = -12.9211261619152 | etot = -9.13334912587075 +575000 ekin = 1.6440258217365 | erot = 2.22028441014041 | epot = -12.9976593575031 | etot = -9.13334912562622 +576000 ekin = 1.67538587678283 | erot = 2.26042238856481 | epot = -13.0691573906392 | etot = -9.13334912529152 +577000 ekin = 1.70789209378918 | erot = 2.29915883242667 | epot = -13.1404000511839 | etot = -9.13334912496807 +578000 ekin = 1.74326819508402 | erot = 2.33909725076618 | epot = -13.2157145705993 | etot = -9.13334912474906 +579000 ekin = 1.78272231838322 | erot = 2.38182643842473 | epot = -13.2978978815032 | etot = -9.13334912469522 +580000 ekin = 1.82652189373014 | erot = 2.42751679140051 | epot = -13.3873878099642 | etot = -9.13334912483355 +581000 ekin = 1.8737067517545 | erot = 2.47480205694227 | epot = -13.4818579338712 | etot = -9.13334912517445 +582000 ekin = 1.9219705257856 | erot = 2.52092715153558 | epot = -13.5762468029815 | etot = -9.13334912566034 +583000 ekin = 1.96774925896963 | erot = 2.56227660801906 | epot = -13.6633749932294 | etot = -9.13334912624074 +584000 ekin = 2.00657374540273 | erot = 2.59498886543059 | epot = -13.7349117376539 | etot = -9.13334912682061 +585000 ekin = 2.03371871575717 | erot = 2.61566274200543 | epot = -13.7827305850452 | etot = -9.13334912728264 +586000 ekin = 2.04507827703258 | erot = 2.62214006251621 | epot = -13.8005674670656 | etot = -9.13334912751683 +587000 ekin = 2.03806243485583 | erot = 2.61411994889205 | epot = -13.7855315112079 | etot = -9.13334912746004 +588000 ekin = 2.01223115184246 | erot = 2.59335030112239 | epot = -13.7389305800906 | etot = -9.13334912712576 +589000 ekin = 1.96942837554415 | erot = 2.56324673363008 | epot = -13.6660242357789 | etot = -9.13334912660463 +590000 ekin = 1.91334419958811 | erot = 2.52801524733592 | epot = -13.5747085729562 | etot = -9.13334912603221 +591000 ekin = 1.84865383330561 | erot = 2.49158313369046 | epot = -13.4735860925319 | etot = -9.13334912553585 +592000 ekin = 1.78006004419564 | erot = 2.45674050608586 | epot = -13.3701496754669 | etot = -9.13334912518538 +593000 ekin = 1.7115927976213 | erot = 2.42478693109326 | epot = -13.2697288536935 | etot = -9.13334912497898 +594000 ekin = 1.64634946405339 | erot = 2.39569805901444 | epot = -13.175396647939 | etot = -9.13334912487118 +595000 ekin = 1.58659479948916 | erot = 2.36854432557332 | epot = -13.0884882498818 | etot = -9.13334912481927 +596000 ekin = 1.53398103551393 | erot = 2.34182175785591 | epot = -13.0091519181804 | etot = -9.13334912481053 +597000 ekin = 1.4896944162256 | erot = 2.31355286210786 | epot = -12.9365964031849 | etot = -9.13334912485144 +598000 ekin = 1.45449014890386 | erot = 2.28129539496066 | epot = -12.869134668807 | etot = -9.13334912494252 +599000 ekin = 1.42868283605903 | erot = 2.24230571379847 | epot = -12.8043376749183 | etot = -9.13334912506079 +600000 ekin = 1.41215819512729 | erot = 2.19421771509236 | epot = -12.7397250351172 | etot = -9.13334912489753 +601000 ekin = 1.40437980063583 | erot = 2.136750928483 | epot = -12.6744798541796 | etot = -9.13334912506074 +602000 ekin = 1.40442466853094 | erot = 2.06863595764367 | epot = -12.6064097512931 | etot = -9.13334912511845 +603000 ekin = 1.41112302449417 | erot = 1.98998056957542 | epot = -12.5344527191411 | etot = -9.13334912507147 +604000 ekin = 1.42310135151995 | erot = 1.902745243228 | epot = -12.4591957196925 | etot = -9.13334912494458 +605000 ekin = 1.43883447822351 | erot = 1.81030632011036 | epot = -12.3824899231056 | etot = -9.13334912477171 +606000 ekin = 1.45673760095088 | erot = 1.71684240504777 | epot = -12.3069291305825 | etot = -9.13334912458388 +607000 ekin = 1.4752986371308 | erot = 1.62672298752963 | epot = -12.2353707490633 | etot = -9.13334912440289 +608000 ekin = 1.49323166610316 | erot = 1.54399943869013 | epot = -12.1705802290336 | etot = -9.13334912424029 +609000 ekin = 1.5096125661575 | erot = 1.47208306433867 | epot = -12.1150447546059 | etot = -9.13334912410968 +610000 ekin = 1.52396039431372 | erot = 1.41350705715054 | epot = -12.0708165754589 | etot = -9.13334912399469 +611000 ekin = 1.53622860047165 | erot = 1.36992443741171 | epot = -12.0395021618072 | etot = -9.13334912392386 +612000 ekin = 1.54668536626305 | erot = 1.34205362872995 | epot = -12.0220881189034 | etot = -9.13334912391043 +613000 ekin = 1.55571309695784 | erot = 1.32960894336 | epot = -12.0186711642891 | etot = -9.13334912397129 +614000 ekin = 1.5635636922184 | erot = 1.33131277562608 | epot = -12.0282255919652 | etot = -9.13334912412073 +615000 ekin = 1.57013881826808 | erot = 1.34494539761815 | epot = -12.0484333402237 | etot = -9.13334912433747 +616000 ekin = 1.5748568190406 | erot = 1.36757312206317 | epot = -12.0757790657619 | etot = -9.13334912465813 +617000 ekin = 1.57672646781355 | erot = 1.39546251366834 | epot = -12.1055381065046 | etot = -9.13334912502268 +618000 ekin = 1.57456346737936 | erot = 1.42448013453632 | epot = -12.1323927272935 | etot = -9.13334912537785 +619000 ekin = 1.56732946470231 | erot = 1.45059208152833 | epot = -12.1512706718929 | etot = -9.13334912566224 +620000 ekin = 1.55451321753977 | erot = 1.4703933445561 | epot = -12.1582556879156 | etot = -9.13334912581974 +621000 ekin = 1.5364478233846 | erot = 1.48161304590965 | epot = -12.1514099951074 | etot = -9.13334912581318 +622000 ekin = 1.51447783518414 | erot = 1.48347710481912 | epot = -12.1313040656381 | etot = -9.13334912563484 +623000 ekin = 1.49092960733081 | erot = 1.47683215248869 | epot = -12.1011108851283 | etot = -9.13334912530885 +624000 ekin = 1.46886130170072 | erot = 1.46422198591534 | epot = -12.0664324125269 | etot = -9.13334912491083 +625000 ekin = 1.45155188812679 | erot = 1.44918251594271 | epot = -12.0340835285536 | etot = -9.13334912448408 +626000 ekin = 1.44224748157941 | erot = 1.43533399591765 | epot = -12.0109306015701 | etot = -9.13334912407301 +627000 ekin = 1.44381530880005 | erot = 1.4263800535482 | epot = -12.0035444860843 | etot = -9.1333491237361 +628000 ekin = 1.4583308162013 | erot = 1.42560824875312 | epot = -12.0172881884924 | etot = -9.13334912353797 +629000 ekin = 1.48676985537066 | erot = 1.43535417577253 | epot = -12.0554731546316 | etot = -9.13334912348845 +630000 ekin = 1.52866417049136 | erot = 1.45689184513674 | epot = -12.1189051392542 | etot = -9.13334912362608 +631000 ekin = 1.58193413338903 | erot = 1.49015054897836 | epot = -12.2054338063858 | etot = -9.13334912401841 +632000 ekin = 1.64234851055617 | erot = 1.53357750659224 | epot = -12.3092751416912 | etot = -9.13334912454282 +633000 ekin = 1.70466841196976 | erot = 1.58426390210415 | epot = -12.422281439224 | etot = -9.13334912515012 +634000 ekin = 1.76318354699271 | erot = 1.63860587790906 | epot = -12.5351385506365 | etot = -9.13334912573474 +635000 ekin = 1.81242625034656 | erot = 1.69306627320957 | epot = -12.6388416497418 | etot = -9.13334912618564 +636000 ekin = 1.84805557837959 | erot = 1.74492785470348 | epot = -12.7263325594984 | etot = -9.1333491264153 +637000 ekin = 1.86755595284548 | erot = 1.79286465559487 | epot = -12.7937697348514 | etot = -9.13334912641102 +638000 ekin = 1.87047357468591 | erot = 1.83697965057624 | epot = -12.8408023514698 | etot = -9.13334912620763 +639000 ekin = 1.85817220593092 | erot = 1.87849437006802 | epot = -12.870015701881 | etot = -9.13334912588202 +640000 ekin = 1.83325502874749 | erot = 1.9193024713677 | epot = -12.8859066256289 | etot = -9.13334912551372 +641000 ekin = 1.79889805051405 | erot = 1.96149522932417 | epot = -12.8937424049968 | etot = -9.13334912515859 +642000 ekin = 1.75833330344794 | erot = 2.00701454517332 | epot = -12.8986969734767 | etot = -9.1333491248554 +643000 ekin = 1.71452400738602 | erot = 2.05742054585266 | epot = -12.905293677835 | etot = -9.13334912459635 +644000 ekin = 1.67006045206695 | erot = 2.11379950766835 | epot = -12.9172090841664 | etot = -9.13334912443105 +645000 ekin = 1.62710169193844 | erot = 2.17652829047967 | epot = -12.9369791067766 | etot = -9.13334912435848 +646000 ekin = 1.58731920571299 | erot = 2.24499987972527 | epot = -12.9656682098095 | etot = -9.13334912437126 +647000 ekin = 1.55192879850279 | erot = 2.31774723145938 | epot = -13.0030251544558 | etot = -9.13334912449359 +648000 ekin = 1.52155547404789 | erot = 2.39216849405319 | epot = -13.0470730928303 | etot = -9.13334912472921 +649000 ekin = 1.4961570117291 | erot = 2.46459269466688 | epot = -13.0940988314722 | etot = -9.13334912507625 +650000 ekin = 1.47495820408513 | erot = 2.53042613107739 | epot = -13.1387334606825 | etot = -9.13334912552003 +651000 ekin = 1.45644758276295 | erot = 2.58442104122457 | epot = -13.1742177500163 | etot = -9.13334912602877 +652000 ekin = 1.43848054670472 | erot = 2.62109720356082 | epot = -13.1929268768132 | etot = -9.13334912654768 +653000 ekin = 1.41853538647083 | erot = 2.63533318879135 | epot = -13.1872177022606 | etot = -9.13334912699846 +654000 ekin = 1.39414099594975 | erot = 2.62311445987549 | epot = -13.1506045831176 | etot = -9.13334912729239 +655000 ekin = 1.36342278664765 | erot = 2.58232798191524 | epot = -13.0790998958947 | etot = -9.1333491273318 +656000 ekin = 1.32754554560135 | erot = 2.5134399730659 | epot = -12.9743346448114 | etot = -9.13334912614414 +657000 ekin = 1.07738759792173 | erot = 2.44669612963653 | epot = -12.6574327807928 | etot = -9.13334905323454 +658000 ekin = 1.00652014230627 | erot = 2.49084781647582 | epot = -12.6307170433399 | etot = -9.13334908455785 +659000 ekin = 1.0724008501796 | erot = 2.42929901831606 | epot = -12.6350489837819 | etot = -9.13334911528626 +660000 ekin = 1.09381648980953 | erot = 2.30102308261687 | epot = -12.5281886879217 | etot = -9.1333491154953 +661000 ekin = 1.11701334338117 | erot = 2.16959631554243 | epot = -12.4199587738177 | etot = -9.1333491148941 +662000 ekin = 1.14263894058074 | erot = 2.04231481245821 | epot = -12.3183028674878 | etot = -9.13334911444888 +663000 ekin = 1.17093665277153 | erot = 1.92510458369797 | epot = -12.2293903506455 | etot = -9.13334911417605 +664000 ekin = 1.20146324496873 | erot = 1.82207009510993 | epot = -12.1568824541672 | etot = -9.13334911408858 +665000 ekin = 1.23289032447991 | erot = 1.73564836427791 | epot = -12.1018878027987 | etot = -9.13334911404089 +666000 ekin = 1.26340464455219 | erot = 1.66702592668296 | epot = -12.0637796854985 | etot = -9.13334911426337 +667000 ekin = 1.29102574814588 | erot = 1.61488086820599 | epot = -12.0392557309147 | etot = -9.13334911456284 +668000 ekin = 1.31376054134924 | erot = 1.57649712773806 | epot = -12.0236067839933 | etot = -9.13334911490603 +669000 ekin = 1.32989404565469 | erot = 1.54828621181657 | epot = -12.0115293726996 | etot = -9.13334911522832 +670000 ekin = 1.33826340890773 | erot = 1.52640844797481 | epot = -11.9980209723674 | etot = -9.13334911548489 +671000 ekin = 1.33847461323381 | erot = 1.50724764864764 | epot = -11.9790713775224 | etot = -9.13334911564091 +672000 ekin = 1.33101969554729 | erot = 1.48781306139111 | epot = -11.9521818726168 | etot = -9.13334911567844 +673000 ekin = 1.31737035051244 | erot = 1.46610228052886 | epot = -11.9168217466028 | etot = -9.13334911556153 +674000 ekin = 1.29992521798278 | erot = 1.44131241760553 | epot = -11.8745867509642 | etot = -9.13334911537591 +675000 ekin = 1.28129254582611 | erot = 1.41347048294297 | epot = -11.8281121439047 | etot = -9.13334911513566 +676000 ekin = 1.26413925333842 | erot = 1.38336835396336 | epot = -11.7808567221873 | etot = -9.13334911488549 +677000 ekin = 1.25080949630108 | erot = 1.35227525692229 | epot = -11.7364338679141 | etot = -9.13334911469074 +678000 ekin = 1.24240325884008 | erot = 1.32122246363462 | epot = -11.696974837032 | etot = -9.1333491145573 +679000 ekin = 1.23935164124878 | erot = 1.29124446460954 | epot = -11.6639452203567 | etot = -9.1333491144984 +680000 ekin = 1.24151057851806 | erot = 1.26358348831243 | epot = -11.6384431811759 | etot = -9.13334911434536 +681000 ekin = 1.24810791985433 | erot = 1.23998966300449 | epot = -11.621446697324 | etot = -9.13334911446517 +682000 ekin = 1.25738088472581 | erot = 1.22073219170803 | epot = -11.6114621910631 | etot = -9.13334911462927 +683000 ekin = 1.26715254864098 | erot = 1.20554909695223 | epot = -11.6060507604029 | etot = -9.13334911480967 +684000 ekin = 1.27521936884296 | erot = 1.19392995256969 | epot = -11.6024984363908 | etot = -9.13334911497818 +685000 ekin = 1.27965818657957 | erot = 1.18525667281503 | epot = -11.598263974498 | etot = -9.13334911510344 +686000 ekin = 1.27906445706524 | erot = 1.17887846191262 | epot = -11.5912920341683 | etot = -9.13334911519047 +687000 ekin = 1.27268261753913 | erot = 1.17407129022592 | epot = -11.5801030230249 | etot = -9.13334911525981 +688000 ekin = 1.2604191440655 | erot = 1.17007604783868 | epot = -11.5638443071319 | etot = -9.13334911522773 +689000 ekin = 1.24287938495423 | erot = 1.16656725574682 | epot = -11.5427957558581 | etot = -9.1333491151571 +690000 ekin = 1.22118240404801 | erot = 1.16336387131456 | epot = -11.5178953904218 | etot = -9.13334911505928 +691000 ekin = 1.19679867225187 | erot = 1.16037339233307 | epot = -11.4905211795311 | etot = -9.13334911494614 +692000 ekin = 1.17139142555457 | erot = 1.15758648593215 | epot = -11.4623270263143 | etot = -9.13334911482758 +693000 ekin = 1.14685376597284 | erot = 1.15519232867469 | epot = -11.4353952091881 | etot = -9.13334911454058 +694000 ekin = 1.12537035278754 | erot = 1.15368599836321 | epot = -11.4124054656034 | etot = -9.13334911445262 +695000 ekin = 1.10824764597546 | erot = 1.15324052660546 | epot = -11.394837286963 | etot = -9.13334911438207 +696000 ekin = 1.09641524899199 | erot = 1.15407441364668 | epot = -11.3838387769731 | etot = -9.13334911433448 +697000 ekin = 1.0904070695983 | erot = 1.15645735234451 | epot = -11.38021353626 | etot = -9.13334911431723 +698000 ekin = 1.09030542376263 | erot = 1.16063392710698 | epot = -11.384288465198 | etot = -9.13334911432841 +699000 ekin = 1.09552536141965 | erot = 1.16669639941866 | epot = -11.3955708752004 | etot = -9.13334911436206 +700000 ekin = 1.10527379803171 | erot = 1.17478862115977 | epot = -11.4134115336272 | etot = -9.13334911443575 +701000 ekin = 1.11851271408081 | erot = 1.18492470948308 | epot = -11.4367865380882 | etot = -9.13334911452431 +702000 ekin = 1.13395549372662 | erot = 1.19694667251851 | epot = -11.4642512808751 | etot = -9.13334911463001 +703000 ekin = 1.15018285433177 | erot = 1.21057055971553 | epot = -11.4941025287918 | etot = -9.13334911474449 +704000 ekin = 1.16576673457734 | erot = 1.2253590806033 | epot = -11.5244749300382 | etot = -9.13334911485753 +705000 ekin = 1.17938915503343 | erot = 1.24076765314262 | epot = -11.5535059231341 | etot = -9.13334911495807 +706000 ekin = 1.18994261306182 | erot = 1.2562234849481 | epot = -11.5795152130455 | etot = -9.1333491150356 +707000 ekin = 1.19660107195375 | erot = 1.271227802675 | epot = -11.6011779897101 | etot = -9.13334911508136 +708000 ekin = 1.19885615186573 | erot = 1.28546332267813 | epot = -11.6176685896339 | etot = -9.13334911509003 +709000 ekin = 1.19651981509382 | erot = 1.29888532038566 | epot = -11.6287542505396 | etot = -9.13334911506012 +710000 ekin = 1.18969957497066 | erot = 1.31177606554459 | epot = -11.6348247555099 | etot = -9.13334911499465 +711000 ekin = 1.17875387602812 | erot = 1.32474791483144 | epot = -11.6368509057608 | etot = -9.13334911490123 +712000 ekin = 1.16423391783899 | erot = 1.3386894522921 | epot = -11.6362724849217 | etot = -9.13334911479056 +713000 ekin = 1.14681758773145 | erot = 1.35466305350745 | epot = -11.6348297559169 | etot = -9.13334911467797 +714000 ekin = 1.12724173590757 | erot = 1.37373509013814 | epot = -11.6343259406232 | etot = -9.13334911457754 +715000 ekin = 1.10624050750108 | erot = 1.39681075797456 | epot = -11.636400379979 | etot = -9.13334911450333 +716000 ekin = 1.08449847089157 | erot = 1.42446438144211 | epot = -11.6423119668 | etot = -9.13334911446637 +717000 ekin = 1.06262586730495 | erot = 1.45678801962731 | epot = -11.652763001406 | etot = -9.13334911447369 +718000 ekin = 1.04116056518022 | erot = 1.49328580498647 | epot = -11.6677954846921 | etot = -9.13334911452545 +719000 ekin = 1.02059756446943 | erot = 1.53283565406262 | epot = -11.6867823331474 | etot = -9.13334911461534 +720000 ekin = 1.00144276091631 | erot = 1.57373478107468 | epot = -11.7085266567205 | etot = -9.13334911472952 +721000 ekin = 0.984282698242522 | erot = 1.61383653730724 | epot = -11.7314683503986 | etot = -9.13334911484888 +722000 ekin = 0.96985633457677 | erot = 1.65076935458374 | epot = -11.7539748041155 | etot = -9.13334911495504 +723000 ekin = 0.959109074098182 | erot = 1.68219090540371 | epot = -11.7746490945239 | etot = -9.13334911502201 +724000 ekin = 0.953206498554131 | erot = 1.70610525279805 | epot = -11.79266086639 | etot = -9.13334911503783 +725000 ekin = 0.953487871460092 | erot = 1.72112406444749 | epot = -11.8079610509059 | etot = -9.13334911499836 +726000 ekin = 0.961348420449859 | erot = 1.72664218755813 | epot = -11.8213397229199 | etot = -9.13334911491192 +727000 ekin = 0.978055187000221 | erot = 1.72290320032193 | epot = -11.8343075021185 | etot = -9.13334911479632 +728000 ekin = 1.00452582497731 | erot = 1.71095374106594 | epot = -11.8488286807165 | etot = -9.13334911467327 +729000 ekin = 1.04110137579929 | erot = 1.6925221534031 | epot = -11.8669726437713 | etot = -9.13334911456892 +730000 ekin = 1.08735958690316 | erot = 1.66981008957492 | epot = -11.8905187909846 | etot = -9.13334911450647 +731000 ekin = 1.14200418375028 | erot = 1.64524141705574 | epot = -11.9205947153098 | etot = -9.13334911450375 +732000 ekin = 1.20285318014175 | erot = 1.62119095712754 | epot = -11.9573932518408 | etot = -9.13334911457154 +733000 ekin = 1.26692596391375 | erot = 1.59976528909609 | epot = -12.000040367713 | etot = -9.13334911470313 +734000 ekin = 1.33064406417852 | erot = 1.58254289880308 | epot = -12.0465360778903 | etot = -9.13334911490874 +735000 ekin = 1.39013484388292 | erot = 1.57032898633086 | epot = -12.0938129453736 | etot = -9.13334911515987 +736000 ekin = 1.44157509139339 | erot = 1.56317476788482 | epot = -12.1380989747065 | etot = -9.13334911542827 +737000 ekin = 1.48157845589432 | erot = 1.56044545881388 | epot = -12.1753730303859 | etot = -9.13334911567766 +738000 ekin = 1.50757504377736 | erot = 1.56100911666946 | epot = -12.2019332763157 | etot = -9.13334911586885 +739000 ekin = 1.51813561812011 | erot = 1.56352092529372 | epot = -12.2150056593802 | etot = -9.13334911596641 +740000 ekin = 1.51318914848911 | erot = 1.56675183784913 | epot = -12.2132901022842 | etot = -9.13334911594593 +741000 ekin = 1.49408865829715 | erot = 1.56989906103857 | epot = -12.1973368351355 | etot = -9.13334911579981 +742000 ekin = 1.4635006153526 | erot = 1.57280025700489 | epot = -12.1696499878992 | etot = -9.13334911554169 +743000 ekin = 1.42512524133545 | erot = 1.57593310600528 | epot = -12.1344074625083 | etot = -9.13334911516759 +744000 ekin = 1.38338487585046 | erot = 1.58054361278105 | epot = -12.097277603429 | etot = -9.13334911479754 +745000 ekin = 1.34281951273833 | erot = 1.58823582840448 | epot = -12.0644044555983 | etot = -9.13334911445548 +746000 ekin = 1.30747334765346 | erot = 1.60047096980711 | epot = -12.0412934316584 | etot = -9.1333491141978 +747000 ekin = 1.28046646005551 | erot = 1.6182176866574 | epot = -12.0320332608057 | etot = -9.13334911409281 +748000 ekin = 1.26367955923863 | erot = 1.64132893143465 | epot = -12.0383576048431 | etot = -9.13334911416987 +749000 ekin = 1.2574293442035 | erot = 1.66831440024557 | epot = -12.0590928588867 | etot = -9.13334911443761 +750000 ekin = 1.26047795508238 | erot = 1.69628448614892 | epot = -12.090111556082 | etot = -9.13334911485068 +751000 ekin = 1.27026186447581 | erot = 1.72133386886134 | epot = -12.1249448486768 | etot = -9.13334911533964 +752000 ekin = 1.283395470868 | erot = 1.73919075505919 | epot = -12.1559353417358 | etot = -9.13334911580862 +753000 ekin = 1.29635957467025 | erot = 1.74596876191974 | epot = -12.1756774528089 | etot = -9.13334911621893 +754000 ekin = 1.30599158741241 | erot = 1.73885024063265 | epot = -12.1781909444329 | etot = -9.13334911638789 +755000 ekin = 1.31024888116356 | erot = 1.71683511467995 | epot = -12.1604331121845 | etot = -9.13334911634101 +756000 ekin = 1.30846938321657 | erot = 1.68097972249338 | epot = -12.1227982218014 | etot = -9.13334911609141 +757000 ekin = 1.30124985041457 | erot = 1.6341900647619 | epot = -12.0687890308653 | etot = -9.13334911568881 +758000 ekin = 1.29019641090553 | erot = 1.5807356338864 | epot = -12.0042811599959 | etot = -9.13334911520393 +759000 ekin = 1.27761222227633 | erot = 1.52554636406109 | epot = -11.9365077010358 | etot = -9.13334911469837 +760000 ekin = 1.26609069506764 | erot = 1.47348693038205 | epot = -11.8729267397083 | etot = -9.13334911425856 +761000 ekin = 1.25808964011641 | erot = 1.42869550462177 | epot = -11.8201342586616 | etot = -9.13334911392337 +762000 ekin = 1.25572222200568 | erot = 1.39407442311013 | epot = -11.7831457588643 | etot = -9.13334911374844 +763000 ekin = 1.26054534569755 | erot = 1.37090045943873 | epot = -11.7647949188315 | etot = -9.13334911369523 +764000 ekin = 1.27353435439963 | erot = 1.3588719908604 | epot = -11.7657554590514 | etot = -9.13334911379134 +765000 ekin = 1.29496682599905 | erot = 1.35616457697868 | epot = -11.7844805169703 | etot = -9.13334911399252 +766000 ekin = 1.32454629042196 | erot = 1.35977679502517 | epot = -11.8176721997099 | etot = -9.13334911426275 +767000 ekin = 1.3616395427185 | erot = 1.36618632223445 | epot = -11.8611749795076 | etot = -9.13334911455462 +768000 ekin = 1.40531019892591 | erot = 1.37181010082889 | epot = -11.9104694145835 | etot = -9.13334911482872 +769000 ekin = 1.45446512869056 | erot = 1.37353498050594 | epot = -11.9613492242367 | etot = -9.13334911504021 +770000 ekin = 1.50793050152324 | erot = 1.3692112564908 | epot = -12.0104908732501 | etot = -9.13334911523604 +771000 ekin = 1.56389616693367 | erot = 1.35775090660325 | epot = -12.0549961887947 | etot = -9.13334911525779 +772000 ekin = 1.62113703504571 | erot = 1.33970323504223 | epot = -12.0941893852765 | etot = -9.1333491151886 +773000 ekin = 1.67872851569619 | erot = 1.31702982988185 | epot = -12.1291074606401 | etot = -9.13334911506207 +774000 ekin = 1.73569257108923 | erot = 1.29264163249645 | epot = -12.1616833185078 | etot = -9.13334911492213 +775000 ekin = 1.79085656133661 | erot = 1.26988000051291 | epot = -12.1940856766607 | etot = -9.13334911481123 +776000 ekin = 1.84276100468295 | erot = 1.25197534037432 | epot = -12.2280854598157 | etot = -9.13334911475846 +777000 ekin = 1.88967118603816 | erot = 1.24159765890997 | epot = -12.26461795972 | etot = -9.13334911477187 +778000 ekin = 1.92971622260738 | erot = 1.24057583214169 | epot = -12.3036411695895 | etot = -9.13334911484046 +779000 ekin = 1.96113164254929 | erot = 1.24980912493184 | epot = -12.3442898824215 | etot = -9.13334911494034 +780000 ekin = 1.98254203386291 | erot = 1.26932045666842 | epot = -12.3852116055749 | etot = -9.13334911504359 +781000 ekin = 1.99321406405731 | erot = 1.29840823518561 | epot = -12.4249714143724 | etot = -9.13334911512944 +782000 ekin = 1.99321095940794 | erot = 1.33580885492146 | epot = -12.4623689295173 | etot = -9.13334911518788 +783000 ekin = 1.98342491293472 | erot = 1.37983642298483 | epot = -12.4966104511371 | etot = -9.13334911521755 +784000 ekin = 1.96551238429988 | erot = 1.4284937162139 | epot = -12.5273552156836 | etot = -9.13334911516984 +785000 ekin = 1.94195910112003 | erot = 1.47961348821968 | epot = -12.5549217045009 | etot = -9.13334911516119 +786000 ekin = 1.91549982326076 | erot = 1.53087711626887 | epot = -12.5797260546657 | etot = -9.13334911513605 +787000 ekin = 1.88902915933118 | erot = 1.57997565975913 | epot = -12.6023539341834 | etot = -9.13334911509308 +788000 ekin = 1.86553746554052 | erot = 1.6247864602542 | epot = -12.6236730408322 | etot = -9.13334911503745 +789000 ekin = 1.84793067284216 | erot = 1.66350572426719 | epot = -12.6447855120736 | etot = -9.13334911496424 +790000 ekin = 1.83884831412187 | erot = 1.69477325871965 | epot = -12.666970687736 | etot = -9.1333491148945 +791000 ekin = 1.84038435201533 | erot = 1.71768127848809 | epot = -12.6914147453587 | etot = -9.13334911485525 +792000 ekin = 1.85374621231307 | erot = 1.7316968379069 | epot = -12.7187921650977 | etot = -9.1333491148777 +793000 ekin = 1.87892178729802 | erot = 1.73653576924509 | epot = -12.7488066715289 | etot = -9.13334911498578 +794000 ekin = 1.9144051004557 | erot = 1.73204169928296 | epot = -12.7797959149174 | etot = -9.1333491151787 +795000 ekin = 1.9572669787258 | erot = 1.7181897621778 | epot = -12.8088058563242 | etot = -9.13334911542062 +796000 ekin = 2.003608517798 | erot = 1.6952533545956 | epot = -12.8322109880412 | etot = -9.13334911564762 +797000 ekin = 2.04914358120503 | erot = 1.66405946742261 | epot = -12.8465521644174 | etot = -9.13334911578975 +798000 ekin = 2.08995546227498 | erot = 1.62623745952976 | epot = -12.8495420376073 | etot = -9.13334911580255 +799000 ekin = 2.12309292251192 | erot = 1.58427028116718 | epot = -12.8407123193656 | etot = -9.1333491156865 +800000 ekin = 2.14682990847424 | erot = 1.5412613855981 | epot = -12.8214404095539 | etot = -9.13334911548158 +801000 ekin = 2.16058282772595 | erot = 1.50048202047544 | epot = -12.794413963447 | etot = -9.13334911524559 +802000 ekin = 2.16461511109201 | erot = 1.46486615503312 | epot = -12.7628303811552 | etot = -9.13334911503007 +803000 ekin = 2.15969104316245 | erot = 1.43661335442493 | epot = -12.7296535124556 | etot = -9.13334911486821 +804000 ekin = 2.14679128687646 | erot = 1.41698988508528 | epot = -12.6971302867205 | etot = -9.1333491147588 +805000 ekin = 2.1269206594369 | erot = 1.40638520515014 | epot = -12.666654979311 | etot = -9.13334911472395 +806000 ekin = 2.1009902826322 | erot = 1.40422932575147 | epot = -12.6385687231441 | etot = -9.1333491147604 +807000 ekin = 2.06982763841558 | erot = 1.40909451158654 | epot = -12.6122712648399 | etot = -9.13334911483777 +808000 ekin = 2.03419092297523 | erot = 1.41919422166642 | epot = -12.5867342595701 | etot = -9.13334911492846 +809000 ekin = 1.99478586655737 | erot = 1.43238858340756 | epot = -12.5605235650175 | etot = -9.13334911505257 +810000 ekin = 1.95230744546423 | erot = 1.44625258192565 | epot = -12.5319091425649 | etot = -9.133349115175 +811000 ekin = 1.90747094188561 | erot = 1.45847148723051 | epot = -12.4992915443988 | etot = -9.13334911528272 +812000 ekin = 1.86102893102452 | erot = 1.46703963548048 | epot = -12.461417681868 | etot = -9.13334911536302 +813000 ekin = 1.81416432243416 | erot = 1.47049868906966 | epot = -12.4180121266398 | etot = -9.13334911513599 +814000 ekin = 1.76902926167563 | erot = 1.4682673931058 | epot = -12.3706457700667 | etot = -9.1333491152853 +815000 ekin = 1.71533069952301 | erot = 1.45797598423648 | epot = -12.3066557947838 | etot = -9.13334911102435 +816000 ekin = 1.68468183703368 | erot = 1.43935942018725 | epot = -12.2573903676285 | etot = -9.13334911040755 +817000 ekin = 1.67569540451894 | erot = 1.42022759192546 | epot = -12.2292721045928 | etot = -9.13334910814843 +818000 ekin = 1.65431804078757 | erot = 1.40071144599652 | epot = -12.1883785945447 | etot = -9.13334910776065 +819000 ekin = 1.63740188371742 | erot = 1.38256931716521 | epot = -12.1533203082681 | etot = -9.13334910738549 +820000 ekin = 1.62512170450766 | erot = 1.3692816885284 | epot = -12.1277525000598 | etot = -9.13334910702377 +821000 ekin = 1.61915909097708 | erot = 1.36404110715986 | epot = -12.1165493048443 | etot = -9.13334910670739 +822000 ekin = 1.62172343976281 | erot = 1.36925913747977 | epot = -12.12433168376 | etot = -9.13334910651737 +823000 ekin = 1.6342749481272 | erot = 1.38616632191067 | epot = -12.1537903765466 | etot = -9.13334910650878 +824000 ekin = 1.65698382617913 | erot = 1.41459711185634 | epot = -12.2049300447282 | etot = -9.13334910669278 +825000 ekin = 1.68854753273329 | erot = 1.4530163184206 | epot = -12.2749129581921 | etot = -9.13334910703822 +826000 ekin = 1.72638863495591 | erot = 1.49875661579891 | epot = -12.3584943582429 | etot = -9.13334910748808 +827000 ekin = 1.76710423380199 | erot = 1.54839439234558 | epot = -12.4488477341237 | etot = -9.13334910797611 +828000 ekin = 1.80698482333474 | erot = 1.59818184901675 | epot = -12.538515780796 | etot = -9.13334910844446 +829000 ekin = 1.84246939969638 | erot = 1.64447465718396 | epot = -12.6202931657257 | etot = -9.13334910884533 +830000 ekin = 1.87048980343092 | erot = 1.68412933439417 | epot = -12.6879682469655 | etot = -9.13334910914043 +831000 ekin = 1.88871335827693 | erot = 1.71486645418453 | epot = -12.7369289217614 | etot = -9.13334910929997 +832000 ekin = 1.89569916791682 | erot = 1.73558694752276 | epot = -12.7646352247443 | etot = -9.13334910930477 +833000 ekin = 1.89096344935487 | erot = 1.7465944755228 | epot = -12.7709070340317 | etot = -9.13334910915404 +834000 ekin = 1.87493429544718 | erot = 1.74964392180754 | epot = -12.757927326144 | etot = -9.13334910888933 +835000 ekin = 1.84878280513965 | erot = 1.74762027308332 | epot = -12.7297521867473 | etot = -9.13334910852438 +836000 ekin = 1.81414476909328 | erot = 1.74421722088915 | epot = -12.6917110981227 | etot = -9.1333491081403 +837000 ekin = 1.77277875467125 | erot = 1.743352851396 | epot = -12.6494807138712 | etot = -9.13334910780394 +838000 ekin = 1.72624445531295 | erot = 1.74841404792614 | epot = -12.6080076108058 | etot = -9.13334910756667 +839000 ekin = 1.67568816110731 | erot = 1.76165550554388 | epot = -12.5706927741064 | etot = -9.13334910745525 +840000 ekin = 1.62179135099408 | erot = 1.78387657045747 | epot = -12.5390170289077 | etot = -9.13334910745614 +841000 ekin = 1.56488441151269 | erot = 1.81456573942591 | epot = -12.5127992584766 | etot = -9.13334910753801 +842000 ekin = 1.5051739956304 | erot = 1.85205645864684 | epot = -12.4905795619746 | etot = -9.13334910769738 +843000 ekin = 1.44300548284026 | erot = 1.89358112522043 | epot = -12.4699357158672 | etot = -9.13334910780648 +844000 ekin = 1.37906620630966 | erot = 1.93639685186046 | epot = -12.4488121660411 | etot = -9.13334910787098 +845000 ekin = 1.3144635283326 | erot = 1.97812996436157 | epot = -12.4259426005652 | etot = -9.13334910787108 +846000 ekin = 1.25068692329337 | erot = 2.01700234953403 | epot = -12.4010383806304 | etot = -9.13334910780299 +847000 ekin = 1.18947724707863 | erot = 2.05204320491501 | epot = -12.3748695596687 | etot = -9.13334910767511 +848000 ekin = 1.13265732504622 | erot = 2.08314733277916 | epot = -12.3491537653295 | etot = -9.13334910750415 +849000 ekin = 1.0819765776989 | erot = 2.11099249694429 | epot = -12.3263181819525 | etot = -9.13334910730936 +850000 ekin = 1.03899924537938 | erot = 2.1368465428431 | epot = -12.309194895335 | etot = -9.13334910711253 +851000 ekin = 1.00503792489605 | erot = 2.1623061869893 | epot = -12.3006932188196 | etot = -9.13334910693424 +852000 ekin = 0.981116857871262 | erot = 2.18901371773129 | epot = -12.303479682395 | etot = -9.13334910679242 +853000 ekin = 0.96794765222281 | erot = 2.21839549972016 | epot = -12.3196922586459 | etot = -9.1333491067029 +854000 ekin = 0.965908910688589 | erot = 2.25145766400397 | epot = -12.3507156813657 | etot = -9.13334910667314 +855000 ekin = 0.975031148292954 | erot = 2.28866143867713 | epot = -12.3970416936757 | etot = -9.13334910670566 +856000 ekin = 0.994993726119038 | erot = 2.32988587265887 | epot = -12.4582287055741 | etot = -9.13334910679616 +857000 ekin = 1.02514000046133 | erot = 2.37447147763838 | epot = -12.5329605850348 | etot = -9.13334910693512 +858000 ekin = 1.06451194043268 | erot = 2.42132581263493 | epot = -12.6191868601774 | etot = -9.13334910710976 +859000 ekin = 1.11189872921292 | erot = 2.4690621764669 | epot = -12.7143100129873 | etot = -9.13334910730746 +860000 ekin = 1.16588800432871 | erot = 2.51613734357213 | epot = -12.8153744554195 | etot = -9.13334910751864 +861000 ekin = 1.22490604809855 | erot = 2.56095681693364 | epot = -12.9192119727711 | etot = -9.13334910773888 +862000 ekin = 1.28723632580607 | erot = 2.60192847236256 | epot = -13.0225139061386 | etot = -9.13334910796994 +863000 ekin = 1.35101431938164 | erot = 2.63746581475179 | epot = -13.1218292423493 | etot = -9.13334910821584 +864000 ekin = 1.41420820518506 | erot = 2.66596355874673 | epot = -13.2135208724115 | etot = -9.13334910847976 +865000 ekin = 1.47460562928568 | erot = 2.68578195464751 | epot = -13.293736692693 | etot = -9.13334910875978 +866000 ekin = 1.52983303720507 | erot = 2.69527584728228 | epot = -13.3584579935323 | etot = -9.13334910904496 +867000 ekin = 1.57743376516521 | erot = 2.69288933097524 | epot = -13.4036722054551 | etot = -9.13334910931467 +868000 ekin = 1.61502389037011 | erot = 2.67731200502193 | epot = -13.4256850049314 | etot = -9.13334910953937 +869000 ekin = 1.64053051307895 | erot = 2.64766625529469 | epot = -13.4215458780593 | etot = -9.13334910968571 +870000 ekin = 1.65249590024763 | erot = 2.60367561918013 | epot = -13.3895206291507 | etot = -9.13334910972294 +871000 ekin = 1.65040511753613 | erot = 2.54576053416164 | epot = -13.3295147613278 | etot = -9.13334910963006 +872000 ekin = 1.63497077370745 | erot = 2.47502461265043 | epot = -13.2433444957602 | etot = -9.13334910940236 +873000 ekin = 1.60829551086259 | erot = 2.3931286467258 | epot = -13.1347732666425 | etot = -9.13334910905411 +874000 ekin = 1.57383856497734 | erot = 2.30208675137617 | epot = -13.009274424972 | etot = -9.13334910861844 +875000 ekin = 1.53613967512497 | erot = 2.20404109166097 | epot = -12.87352987493 | etot = -9.1333491081441 +876000 ekin = 1.50030007471501 | erot = 2.10106901469611 | epot = -12.7347181970994 | etot = -9.13334910768825 +877000 ekin = 1.47128183650081 | erot = 1.99505592487866 | epot = -12.599686868687 | etot = -9.1333491073075 +878000 ekin = 1.45315269234875 | erot = 1.88764504254387 | epot = -12.4741468419377 | etot = -9.13334910704512 +879000 ekin = 1.4484500959242 | erot = 1.78026193725243 | epot = -12.3620611400957 | etot = -9.13334910691912 +880000 ekin = 1.45783397194032 | erot = 1.6742050362216 | epot = -12.2653881150795 | etot = -9.13334910691757 +881000 ekin = 1.48012455416307 | erot = 1.57078382964385 | epot = -12.1842574908083 | etot = -9.13334910700134 +882000 ekin = 1.51270015736555 | erot = 1.47147015192292 | epot = -12.1175194164069 | etot = -9.13334910711841 +883000 ekin = 1.5521156829125 | erot = 1.37801244882818 | epot = -12.0634772389616 | etot = -9.13334910722095 +884000 ekin = 1.59475301549188 | erot = 1.29246300162702 | epot = -12.0205651243982 | etot = -9.13334910727928 +885000 ekin = 1.63734681491784 | erot = 1.21709221484899 | epot = -11.987788137051 | etot = -9.13334910728419 +886000 ekin = 1.67731211299753 | erot = 1.15420415260206 | epot = -11.9648653728432 | etot = -9.13334910724361 +887000 ekin = 1.71288068345211 | erot = 1.10590165063598 | epot = -11.9521314412624 | etot = -9.13334910717432 +888000 ekin = 1.74309500656667 | erot = 1.073858345309 | epot = -11.9503024589714 | etot = -9.13334910709569 +889000 ekin = 1.76770969091059 | erot = 1.05913784424355 | epot = -11.9601966421812 | etot = -9.13334910702711 +890000 ekin = 1.78703240996087 | erot = 1.06207375035243 | epot = -11.9824552673003 | etot = -9.13334910698695 +891000 ekin = 1.80172329224743 | erot = 1.08220747466363 | epot = -12.0172798739031 | etot = -9.13334910699207 +892000 ekin = 1.81257293682698 | erot = 1.11828058018285 | epot = -12.0642026240651 | etot = -9.13334910705524 +893000 ekin = 1.82028982711598 | erot = 1.16828769625041 | epot = -12.1219266305465 | etot = -9.13334910718006 +894000 ekin = 1.82533649728439 | erot = 1.22960280171497 | epot = -12.1882884063595 | etot = -9.13334910736016 +895000 ekin = 1.82785071659798 | erot = 1.29918775470991 | epot = -12.2603875788833 | etot = -9.13334910757539 +896000 ekin = 1.82766966748232 | erot = 1.37387583336083 | epot = -12.3348946086393 | etot = -9.13334910779613 +897000 ekin = 1.82444603808568 | erot = 1.45069893543788 | epot = -12.4084940815126 | etot = -9.13334910798906 +898000 ekin = 1.81781661006261 | erot = 1.52720356355833 | epot = -12.4783692817472 | etot = -9.13334910812629 +899000 ekin = 1.80756915109973 | erot = 1.60168843027914 | epot = -12.5426066895709 | etot = -9.13334910819201 +900000 ekin = 1.79375843956275 | erot = 1.67330364930424 | epot = -12.6004111970548 | etot = -9.13334910818785 +901000 ekin = 1.77674318476286 | erot = 1.74197941464704 | epot = -12.6520717075409 | etot = -9.13334910813097 +902000 ekin = 1.75714245728886 | erot = 1.80819394407444 | epot = -12.6986855094139 | etot = -9.1333491080506 +903000 ekin = 1.73573344441515 | erot = 1.8726332599067 | epot = -12.7417158123006 | etot = -9.13334910797871 +904000 ekin = 1.71332625908481 | erot = 1.93582474192408 | epot = -12.7825001089508 | etot = -9.13334910794195 +905000 ekin = 1.69065428570243 | erot = 1.997832484398 | epot = -12.8218358780556 | etot = -9.13334910795518 +906000 ekin = 1.66831072855943 | erot = 2.05808381417934 | epot = -12.859743650758 | etot = -9.13334910801925 +907000 ekin = 1.64674588303732 | erot = 2.11535919821992 | epot = -12.8954541893767 | etot = -9.13334910811944 +908000 ekin = 1.62631907113895 | erot = 2.16793324010744 | epot = -12.9276014194806 | etot = -9.13334910823417 +909000 ekin = 1.60738004100341 | erot = 2.21381581981552 | epot = -12.9545449691592 | etot = -9.13334910834033 +910000 ekin = 1.59034402491449 | erot = 2.25102295599486 | epot = -12.9747160893305 | etot = -9.13334910842113 +911000 ekin = 1.57572782711068 | erot = 2.27781488081605 | epot = -12.9868918163945 | etot = -9.13334910846772 +912000 ekin = 1.56413054683431 | erot = 2.29287003003294 | epot = -12.9903496853461 | etot = -9.13334910847881 +913000 ekin = 1.55616398737755 | erot = 2.29539983333496 | epot = -12.9849129291696 | etot = -9.13334910845707 +914000 ekin = 1.55235379274356 | erot = 2.28522760386229 | epot = -12.9709305050114 | etot = -9.13334910840559 +915000 ekin = 1.55303636075837 | erot = 2.26284508696368 | epot = -12.9492305560505 | etot = -9.1333491083285 +916000 ekin = 1.558270033732 | erot = 2.2294333936006 | epot = -12.9210525355647 | etot = -9.13334910823207 +917000 ekin = 1.56776924055716 | erot = 2.18681551598127 | epot = -12.8879338646653 | etot = -9.13334910812686 +918000 ekin = 1.58086450735507 | erot = 2.13731406706164 | epot = -12.8515276824452 | etot = -9.13334910802845 +919000 ekin = 1.59649190921421 | erot = 2.08351907893672 | epot = -12.8133600961037 | etot = -9.13334910795277 +920000 ekin = 1.61321892883505 | erot = 2.02800735916499 | epot = -12.7745753959123 | etot = -9.13334910791221 +921000 ekin = 1.62931395437706 | erot = 1.97307497750766 | epot = -12.7357380397973 | etot = -9.13334910791261 +922000 ekin = 1.64286104746755 | erot = 1.92053870341123 | epot = -12.6967488588289 | etot = -9.1333491079501 +923000 ekin = 1.65191234391208 | erot = 1.87163759208356 | epot = -12.6568990440091 | etot = -9.13334910801345 +924000 ekin = 1.6546620620163 | erot = 1.82703710613629 | epot = -12.6150482762386 | etot = -9.13334910808597 +925000 ekin = 1.64962158356488 | erot = 1.78691680128824 | epot = -12.5698874930026 | etot = -9.13334910814945 +926000 ekin = 1.63577435706327 | erot = 1.75111283231059 | epot = -12.5202362975603 | etot = -9.13334910818647 +927000 ekin = 1.61269412581393 | erot = 1.71928618608138 | epot = -12.4653294200783 | etot = -9.13334910818301 +928000 ekin = 1.58061327338809 | erot = 1.69109387513091 | epot = -12.4050562566481 | etot = -9.13334910812912 +929000 ekin = 1.54043465718972 | erot = 1.66634444993707 | epot = -12.3401282151473 | etot = -9.13334910802047 +930000 ekin = 1.49368612297313 | erot = 1.64511875929247 | epot = -12.272153990125 | etot = -9.13334910785945 +931000 ekin = 1.44242020036052 | erot = 1.6278309239395 | epot = -12.2036002319575 | etot = -9.13334910765746 +932000 ekin = 1.38906420478282 | erot = 1.61520048767775 | epot = -12.137613799896 | etot = -9.13334910743542 +933000 ekin = 1.33622958396584 | erot = 1.60811568409894 | epot = -12.0776943752874 | etot = -9.13334910722262 +934000 ekin = 1.28649486983533 | erot = 1.60739378972487 | epot = -12.0272377666147 | etot = -9.13334910705454 +935000 ekin = 1.24218246526101 | erot = 1.6134791908304 | epot = -11.9890107630556 | etot = -9.13334910696424 +936000 ekin = 1.20515312898663 | erot = 1.62614770365626 | epot = -11.9646499396199 | etot = -9.13334910697703 +937000 ekin = 1.17664231217631 | erot = 1.64429583354369 | epot = -11.9542872528244 | etot = -9.13334910710443 +938000 ekin = 1.15716006421835 | erot = 1.66588444174823 | epot = -11.956393613306 | etot = -9.13334910733941 +939000 ekin = 1.14647171712446 | erot = 1.68810326831248 | epot = -11.9679240930837 | etot = -9.1333491076468 +940000 ekin = 1.14367004082762 | erot = 1.70771457433182 | epot = -11.9847337231556 | etot = -9.13334910799618 +941000 ekin = 1.14733884564953 | erot = 1.72149292699345 | epot = -12.0021808809647 | etot = -9.13334910832173 +942000 ekin = 1.15580134682141 | erot = 1.72687300439486 | epot = -12.0160234597784 | etot = -9.13334910856215 +943000 ekin = 1.16743729515031 | erot = 1.7224993662459 | epot = -12.0232857700611 | etot = -9.13334910866491 +944000 ekin = 1.18103106476093 | erot = 1.70858712462871 | epot = -12.0229672979909 | etot = -9.13334910860129 +945000 ekin = 1.19606804455176 | erot = 1.68696892705712 | epot = -12.0163860799919 | etot = -9.133349108383 +946000 ekin = 1.21284058110716 | erot = 1.66075870248008 | epot = -12.0069483916594 | etot = -9.13334910807221 +947000 ekin = 1.2322221057333 | erot = 1.6336701113832 | epot = -11.9992413248876 | etot = -9.1333491077711 +948000 ekin = 1.25509690716023 | erot = 1.60916358070824 | epot = -11.997609595455 | etot = -9.13334910758657 +949000 ekin = 1.28167104221162 | erot = 1.58969080392993 | epot = -12.0047109537215 | etot = -9.13334910757998 +950000 ekin = 1.31105510038426 | erot = 1.57628415673958 | epot = -12.0206883648617 | etot = -9.13334910773781 +951000 ekin = 1.34140314928851 | erot = 1.56859135849483 | epot = -12.043343615766 | etot = -9.13334910798267 +952000 ekin = 1.37054117669026 | erot = 1.56526000759141 | epot = -12.0691502925028 | etot = -9.13334910822116 +953000 ekin = 1.39670348101754 | erot = 1.5644462174252 | epot = -12.0944988068345 | etot = -9.13334910839174 +954000 ekin = 1.41897529237989 | erot = 1.56423287015224 | epot = -12.1165572710139 | etot = -9.13334910848181 +955000 ekin = 1.43729048070498 | erot = 1.56287479953566 | epot = -12.1335143887518 | etot = -9.13334910851119 +956000 ekin = 1.45211066332637 | erot = 1.55892938548462 | epot = -12.1443891573166 | etot = -9.13334910850562 +957000 ekin = 1.46402190623229 | erot = 1.55132217597032 | epot = -12.1486931906856 | etot = -9.13334910848299 +958000 ekin = 1.47342593725725 | erot = 1.53954965712618 | epot = -12.1463247028191 | etot = -9.13334910843566 +959000 ekin = 1.48038578495096 | erot = 1.52394133602091 | epot = -12.1376762293307 | etot = -9.13334910835885 +960000 ekin = 1.48460604034335 | erot = 1.50575363437721 | epot = -12.1237087829657 | etot = -9.13334910824515 +961000 ekin = 1.48549975936425 | erot = 1.48721075412639 | epot = -12.106059621583 | etot = -9.1333491080924 +962000 ekin = 1.48229853496739 | erot = 1.47141202583365 | epot = -12.0870596687075 | etot = -9.13334910790648 +963000 ekin = 1.47417603272498 | erot = 1.4621024086719 | epot = -12.0696275490985 | etot = -9.13334910770162 +964000 ekin = 1.46036644525383 | erot = 1.46332191688609 | epot = -12.0570374696365 | etot = -9.13334910749659 +965000 ekin = 1.44026662182329 | erot = 1.47896324785884 | epot = -12.052578977 | etot = -9.13334910731783 +966000 ekin = 1.4135158340093 | erot = 1.51227943251122 | epot = -12.0591443737113 | etot = -9.13334910719082 +967000 ekin = 1.38005134112541 | erot = 1.56539665061944 | epot = -12.0787970988851 | etot = -9.13334910714022 +968000 ekin = 1.34025482724918 | erot = 1.63885686276601 | epot = -12.1124607971915 | etot = -9.13334910717636 +969000 ekin = 1.29476921981899 | erot = 1.73132793710009 | epot = -12.1594462642422 | etot = -9.13334910732313 +970000 ekin = 1.24442005393169 | erot = 1.83972520711888 | epot = -12.2174943685907 | etot = -9.13334910754013 +971000 ekin = 1.19046696427576 | erot = 1.95943091408832 | epot = -12.2832469861607 | etot = -9.13334910779659 +972000 ekin = 1.13463097113848 | erot = 2.08475088502066 | epot = -12.3527309642089 | etot = -9.1333491080498 +973000 ekin = 1.07911059567929 | erot = 2.20953944501601 | epot = -12.4219991489535 | etot = -9.13334910825824 +974000 ekin = 1.02657367041509 | erot = 2.32774347839951 | epot = -12.4876662572392 | etot = -9.13334910842461 +975000 ekin = 0.979977932766863 | erot = 2.43392801404157 | epot = -12.5472550552954 | etot = -9.13334910848701 +976000 ekin = 0.94230488709895 | erot = 2.52399013955653 | epot = -12.5996441351294 | etot = -9.13334910847391 +977000 ekin = 0.91633529570579 | erot = 2.59517570124248 | epot = -12.6448601053594 | etot = -9.13334910841115 +978000 ekin = 0.90431642289214 | erot = 2.64601698757991 | epot = -12.6836825188045 | etot = -9.13334910833241 +979000 ekin = 0.907654941510261 | erot = 2.6761270404601 | epot = -12.71713109024 | etot = -9.13334910826961 +980000 ekin = 0.926700183438494 | erot = 2.68592744664267 | epot = -12.7459767383264 | etot = -9.13334910824523 +981000 ekin = 0.960659745242717 | erot = 2.67638285527776 | epot = -12.7703917087879 | etot = -9.13334910826741 +982000 ekin = 1.00766017971564 | erot = 2.64879736701281 | epot = -12.7898066550596 | etot = -9.13334910833116 +983000 ekin = 1.06493892794523 | erot = 2.60470505316476 | epot = -12.8029930895281 | etot = -9.13334910841806 +984000 ekin = 1.12913508942421 | erot = 2.54586103455826 | epot = -12.8083452324831 | etot = -9.13334910850068 +985000 ekin = 1.19663599745925 | erot = 2.47431116852314 | epot = -12.8042962745322 | etot = -9.1333491085498 +986000 ekin = 1.26393164267929 | erot = 2.39249159638855 | epot = -12.7897723476083 | etot = -9.13334910854048 +987000 ekin = 1.32792910236438 | erot = 2.30329384117695 | epot = -12.7645720520012 | etot = -9.13334910845985 +988000 ekin = 1.3861859405166 | erot = 2.21003704541747 | epot = -12.7295720942441 | etot = -9.13334910831006 +989000 ekin = 1.43703663165014 | erot = 2.11631776636421 | epot = -12.6867035061226 | etot = -9.13334910810827 +990000 ekin = 1.47960743025892 | erot = 2.02574976476802 | epot = -12.6387063029087 | etot = -9.13334910788175 +991000 ekin = 1.513737246522 | erot = 1.9416427247741 | epot = -12.5887290789572 | etot = -9.13334910766114 +992000 ekin = 1.53983818592274 | erot = 1.86668512516562 | epot = -12.5398724185622 | etot = -9.13334910747385 +993000 ekin = 1.55873490673449 | erot = 1.802689820056 | epot = -12.4947738341302 | etot = -9.13334910733969 +994000 ekin = 1.57151651514591 | erot = 1.75043914206451 | epot = -12.4553047644786 | etot = -9.1333491072682 +995000 ekin = 1.57942173435718 | erot = 1.70964079469539 | epot = -12.4224116363128 | etot = -9.1333491072602 +996000 ekin = 1.58376261672296 | erot = 1.67898574513455 | epot = -12.3960974691663 | etot = -9.13334910730874 +997000 ekin = 1.5858787857511 | erot = 1.65629050261201 | epot = -12.375518395765 | etot = -9.13334910740189 +998000 ekin = 1.58710748471057 | erot = 1.63870906511977 | epot = -12.3591656573538 | etot = -9.13334910752346 +999000 ekin = 1.5887560319907 | erot = 1.62299637539511 | epot = -12.3451015150432 | etot = -9.13334910765744 +1000000 ekin = 1.59207001214641 | erot = 1.60581739808838 | epot = -12.3312365180167 | etot = -9.13334910778188 + 1000000 0.11793111 -1.2674127 0.034288999 -1.0739167 -1.3883882e-05 64000 +Loop time of 12.7173 on 4 procs for 1000000 steps with 10 atoms + +Performance: 67939.084 tau/day, 78633.199 timesteps/s +99.6% CPU use with 4 MPI tasks x no OpenMP threads + +MPI task timing breakdown: +Section | min time | avg time | max time |%varavg| %total +--------------------------------------------------------------- +Pair | 2.8787 | 4.0355 | 6.8248 | 81.1 | 31.73 +Bond | 0.17702 | 0.24819 | 0.33387 | 12.1 | 1.95 +Neigh | 0.011662 | 0.011722 | 0.011792 | 0.0 | 0.09 +Comm | 3.0536 | 6.1653 | 7.5423 | 73.5 | 48.48 +Output | 0.074083 | 0.07729 | 0.082929 | 1.2 | 0.61 +Modify | 0.52866 | 0.63564 | 0.74059 | 12.0 | 5.00 +Other | | 1.544 | | | 12.14 + +Nlocal: 2.50000 ave 4 max 1 min +Histogram: 2 0 0 0 0 0 0 0 0 2 +Nghost: 7.50000 ave 9 max 6 min +Histogram: 2 0 0 0 0 0 0 0 0 2 +Neighs: 9.25000 ave 19 max 5 min +Histogram: 2 1 0 0 0 0 0 0 0 1 + +Total # of neighbors = 37 +Ave neighs/atom = 3.7000000 +Ave special neighs/atom = 3.6000000 +Neighbor list builds = 1000 +Dangerous builds = 0 + +write_data last_config.${number}.* nocoeff +write_data last_config.1.* nocoeff +System init for write_data ... +#write_restart last_config.${number}.* +Total wall time: 0:00:12 diff --git a/examples/PACKAGES/cgdna/examples/oxDNA/duplex2/in.duplex2 b/examples/PACKAGES/cgdna/examples/oxDNA/duplex2/in.duplex2 index 6a6310b7f0..de0ce851fd 100644 --- a/examples/PACKAGES/cgdna/examples/oxDNA/duplex2/in.duplex2 +++ b/examples/PACKAGES/cgdna/examples/oxDNA/duplex2/in.duplex2 @@ -7,7 +7,7 @@ units lj dimension 3 -newton off +newton on boundary p p p @@ -67,3 +67,4 @@ dump_modify out format line "%d %d %d %22.15le %22.15le %22.15le %d %d %d %22 run 1000000 write_data last_config.${number}.* nocoeff +#write_restart last_config.${number}.* diff --git a/examples/PACKAGES/cgdna/examples/oxDNA/duplex2/log.27May21.duplex2.g++.1 b/examples/PACKAGES/cgdna/examples/oxDNA/duplex2/log.27May21.duplex2.g++.1 deleted file mode 100644 index f9b5a909eb..0000000000 --- a/examples/PACKAGES/cgdna/examples/oxDNA/duplex2/log.27May21.duplex2.g++.1 +++ /dev/null @@ -1,1172 +0,0 @@ -LAMMPS (27 May 2021) -variable number equal 2 -variable ofreq equal 1000 -variable efreq equal 1000 -variable T equal 0.1 - -units lj - -dimension 3 - -newton off - -boundary p p p - -atom_style hybrid bond ellipsoid oxdna -WARNING: Atom style hybrid defines both, per-type and per-atom masses; both must be set, but only per-atom masses will be used (../atom_vec_hybrid.cpp:157) -atom_modify sort 0 1.0 - -# Pair interactions require lists of neighbours to be calculated -neighbor 2.0 bin -neigh_modify every 1 delay 0 check yes - -read_data data.duplex2 -Reading data file ... - orthogonal box = (-20.000000 -20.000000 -20.000000) to (20.000000 20.000000 20.000000) - 1 by 1 by 1 MPI processor grid - reading atoms ... - 16 atoms - reading velocities ... - 16 velocities - scanning bonds ... - 2 = max bonds/atom - 16 ellipsoids - reading bonds ... - 13 bonds -Finding 1-2 1-3 1-4 neighbors ... - special bond factors lj: 0 0 0 - special bond factors coul: 0 0 0 - 2 = max # of 1-2 neighbors - 2 = max # of 1-3 neighbors - 4 = max # of 1-4 neighbors - 6 = max # of special neighbors - special bonds CPU = 0.000 seconds - read_data CPU = 0.003 seconds - -set atom * mass 3.1575 -Setting atom values ... - 16 settings made for mass - -group all type 1 4 -16 atoms in group all - -# oxDNA bond interactions - FENE backbone -bond_style oxdna/fene -bond_coeff * 2.0 0.25 0.7525 -special_bonds lj 0 1 1 -Finding 1-2 1-3 1-4 neighbors ... - special bond factors lj: 0 1 1 - special bond factors coul: 0 0 0 - 2 = max # of 1-2 neighbors - 2 = max # of 1-3 neighbors - 4 = max # of 1-4 neighbors - 6 = max # of special neighbors - special bonds CPU = 0.000 seconds - -# oxDNA pair interactions -pair_style hybrid/overlay oxdna/excv oxdna/stk oxdna/hbond oxdna/xstk oxdna/coaxstk -pair_coeff * * oxdna/excv 2.0 0.7 0.675 2.0 0.515 0.5 2.0 0.33 0.32 -pair_coeff * * oxdna/stk seqav ${T} 1.3448 2.6568 6.0 0.4 0.9 0.32 0.75 1.3 0 0.8 0.9 0 0.95 0.9 0 0.95 2.0 0.65 2.0 0.65 -pair_coeff * * oxdna/stk seqav 0.1 1.3448 2.6568 6.0 0.4 0.9 0.32 0.75 1.3 0 0.8 0.9 0 0.95 0.9 0 0.95 2.0 0.65 2.0 0.65 -pair_coeff * * oxdna/hbond seqav 0.0 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 -pair_coeff 1 4 oxdna/hbond seqav 1.077 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 -pair_coeff 2 3 oxdna/hbond seqav 1.077 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 -pair_coeff * * oxdna/xstk 47.5 0.575 0.675 0.495 0.655 2.25 0.791592653589793 0.58 1.7 1.0 0.68 1.7 1.0 0.68 1.5 0 0.65 1.7 0.875 0.68 1.7 0.875 0.68 -pair_coeff * * oxdna/coaxstk 46.0 0.4 0.6 0.22 0.58 2.0 2.541592653589793 0.65 1.3 0 0.8 0.9 0 0.95 0.9 0 0.95 2.0 -0.65 2.0 -0.65 - -# NVE ensemble -fix 1 all nve/asphere -fix 2 all langevin ${T} ${T} 2.5 457145 angmom 10 -fix 2 all langevin 0.1 ${T} 2.5 457145 angmom 10 -fix 2 all langevin 0.1 0.1 2.5 457145 angmom 10 - -timestep 1e-5 - -#comm_style tiled -fix 3 all balance 1000 1.03 shift xyz 10 1.03 -comm_modify cutoff 3.8 - -compute quat all property/atom quatw quati quatj quatk - -compute erot all erotate/asphere -compute ekin all ke -compute epot all pe -variable erot equal c_erot -variable ekin equal c_ekin -variable epot equal c_epot -variable etot equal c_erot+c_ekin+c_epot -fix 5 all print ${efreq} "$(step) ekin = ${ekin} | erot = ${erot} | epot = ${epot} | etot = ${etot}" screen yes -fix 5 all print 1000 "$(step) ekin = ${ekin} | erot = ${erot} | epot = ${epot} | etot = ${etot}" screen yes - -dump out all custom ${ofreq} out.${number}.lammpstrj id mol type x y z ix iy iz vx vy vz c_quat[1] c_quat[2] c_quat[3] c_quat[4] angmomx angmomy angmomz -dump out all custom 1000 out.${number}.lammpstrj id mol type x y z ix iy iz vx vy vz c_quat[1] c_quat[2] c_quat[3] c_quat[4] angmomx angmomy angmomz -dump out all custom 1000 out.2.lammpstrj id mol type x y z ix iy iz vx vy vz c_quat[1] c_quat[2] c_quat[3] c_quat[4] angmomx angmomy angmomz -dump_modify out sort id -dump_modify out format line "%d %d %d %22.15le %22.15le %22.15le %d %d %d %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le" - -run 1000000 -Neighbor list info ... - update every 1 steps, delay 0 steps, check yes - max neighbors/atom: 2000, page size: 100000 - master list distance cutoff = 2.9560004 - ghost atom cutoff = 3.8 - binsize = 1.4780002, bins = 28 28 28 - 4 neighbor lists, perpetual/occasional/extra = 4 0 0 - (1) pair oxdna/excv, perpetual - attributes: half, newton off - pair build: half/bin/newtoff - stencil: full/bin/3d - bin: standard - (2) pair oxdna/hbond, perpetual, copy from (1) - attributes: half, newton off - pair build: copy - stencil: none - bin: none - (3) pair oxdna/xstk, perpetual, copy from (1) - attributes: half, newton off - pair build: copy - stencil: none - bin: none - (4) pair oxdna/coaxstk, perpetual, copy from (1) - attributes: half, newton off - pair build: copy - stencil: none - bin: none -0 ekin = 2.70475393009871 | erot = 2.80172072918779 | epot = -21.9967648054699 | etot = -16.4902901461834 -Per MPI rank memory allocation (min/avg/max) = 9.326 | 9.326 | 9.326 Mbytes -Step Temp E_pair E_mol TotEng Press Volume - 0 0.12021129 -1.3914531 0.016655298 -1.2057507 5.174549e-05 64000 -1000 ekin = 2.68462004451395 | erot = 2.58605420555131 | epot = -21.8105393794712 | etot = -16.5398651294059 -2000 ekin = 2.60963739095655 | erot = 2.48175619043154 | epot = -21.6459705488588 | etot = -16.5545769674707 -3000 ekin = 2.63989588847182 | erot = 2.46363051573262 | epot = -21.5254922679992 | etot = -16.4219658637948 -4000 ekin = 2.5752038952926 | erot = 2.37178501784054 | epot = -21.4327542438291 | etot = -16.485765330696 -5000 ekin = 2.5044104280733 | erot = 2.08769632851087 | epot = -21.3521450303024 | etot = -16.7600382737182 -6000 ekin = 2.36107642071569 | erot = 2.35003179412404 | epot = -21.2782010260872 | etot = -16.5670928112474 -7000 ekin = 2.37495351372023 | erot = 2.16846238087391 | epot = -21.2534688435259 | etot = -16.7100529489317 -8000 ekin = 2.42775724176585 | erot = 2.14686490397956 | epot = -21.2553298683528 | etot = -16.6807077226074 -9000 ekin = 2.31422464867069 | erot = 1.8637862252403 | epot = -21.2852707364932 | etot = -17.1072598625822 -10000 ekin = 2.3275093348898 | erot = 1.94087852055649 | epot = -21.3429178830636 | etot = -17.0745300276173 -11000 ekin = 2.23983345215334 | erot = 2.16573111806156 | epot = -21.4294123399217 | etot = -17.0238477697068 -12000 ekin = 2.24948652666018 | erot = 2.32563449403286 | epot = -21.5368720528797 | etot = -16.9617510321867 -13000 ekin = 2.3141269026489 | erot = 2.54687184991595 | epot = -21.62467553135 | etot = -16.7636767787851 -14000 ekin = 2.30456735091101 | erot = 2.82813231901192 | epot = -21.6854822284275 | etot = -16.5527825585046 -15000 ekin = 2.41196948877884 | erot = 2.60315540839484 | epot = -21.7080540027112 | etot = -16.6929291055375 -16000 ekin = 2.32930626459584 | erot = 2.77308393740008 | epot = -21.6887196306942 | etot = -16.5863294286983 -17000 ekin = 2.39617472660391 | erot = 3.03091034756258 | epot = -21.6395184677655 | etot = -16.2124333935991 -18000 ekin = 2.3327950089553 | erot = 3.14341710049 | epot = -21.5741278170259 | etot = -16.0979157075806 -19000 ekin = 2.42845349180327 | erot = 2.98452732659579 | epot = -21.4895578941597 | etot = -16.0765770757607 -20000 ekin = 2.58234763441785 | erot = 3.33252070318004 | epot = -21.3975543217035 | etot = -15.4826859841056 -21000 ekin = 2.6449455763858 | erot = 3.32881968524127 | epot = -21.3229796202747 | etot = -15.3492143586476 -22000 ekin = 2.65030022474644 | erot = 3.26762562263436 | epot = -21.2713919939756 | etot = -15.3534661465948 -23000 ekin = 2.74232842321963 | erot = 2.85782586045795 | epot = -21.2433172110301 | etot = -15.6431629273525 -24000 ekin = 2.70913362671021 | erot = 2.5614570464177 | epot = -21.2492397215426 | etot = -15.9786490484147 -25000 ekin = 2.71785549515017 | erot = 2.45020590769023 | epot = -21.2696953560915 | etot = -16.1016339532511 -26000 ekin = 2.80969274934563 | erot = 2.57761600133559 | epot = -21.3121170333524 | etot = -15.9248082826712 -27000 ekin = 2.90228693281849 | erot = 2.52543294446069 | epot = -21.3618959826307 | etot = -15.9341761053516 -28000 ekin = 2.80577992946705 | erot = 2.42942187536901 | epot = -21.4238267965374 | etot = -16.1886249917014 -29000 ekin = 2.84024245066251 | erot = 2.37728970052671 | epot = -21.5220045306241 | etot = -16.3044723794349 -30000 ekin = 2.91820846152589 | erot = 2.5285825532428 | epot = -21.6452589795617 | etot = -16.198467964793 -31000 ekin = 3.01591597087963 | erot = 2.66934437756135 | epot = -21.7837708816784 | etot = -16.0985105332374 -32000 ekin = 3.18554066714555 | erot = 2.70126504453976 | epot = -21.9266237283442 | etot = -16.0398180166589 -33000 ekin = 3.4559109786996 | erot = 3.05486835802113 | epot = -22.0467287622724 | etot = -15.5359494255517 -34000 ekin = 3.47254829729221 | erot = 3.41663527351813 | epot = -22.1468381626759 | etot = -15.2576545918655 -35000 ekin = 3.45946416093007 | erot = 3.2177601439385 | epot = -22.2021645741413 | etot = -15.5249402692727 -36000 ekin = 3.38072119723012 | erot = 2.9889184383328 | epot = -22.202497862958 | etot = -15.8328582273951 -37000 ekin = 3.29783742910404 | erot = 2.73521555931908 | epot = -22.1657123704834 | etot = -16.1326593820603 -38000 ekin = 3.33959958296025 | erot = 2.617783203284 | epot = -22.1041970676609 | etot = -16.1468142814166 -39000 ekin = 3.23639805960126 | erot = 2.58373522106731 | epot = -22.0096421543482 | etot = -16.1895088736796 -40000 ekin = 3.11586138662875 | erot = 2.19624820863949 | epot = -21.8962581958557 | etot = -16.5841486005874 -41000 ekin = 3.04246623801461 | erot = 2.23321889509951 | epot = -21.807787363566 | etot = -16.5321022304519 -42000 ekin = 2.84983279602751 | erot = 2.80264211079703 | epot = -21.748255605817 | etot = -16.0957806989924 -43000 ekin = 2.79124232412409 | erot = 2.40517464805221 | epot = -21.704091232696 | etot = -16.5076742605197 -44000 ekin = 2.66237577064431 | erot = 2.48075679823103 | epot = -21.6865985692202 | etot = -16.5434660003448 -45000 ekin = 2.57941183432903 | erot = 2.51210561132975 | epot = -21.7100580821224 | etot = -16.6185406364637 -46000 ekin = 2.732761778313 | erot = 2.72002755015638 | epot = -21.7400457171799 | etot = -16.2872563887105 -47000 ekin = 2.64234876254598 | erot = 2.59091566156289 | epot = -21.7975985084293 | etot = -16.5643340843204 -48000 ekin = 2.59173469012523 | erot = 2.43590670780657 | epot = -21.8709604205579 | etot = -16.8433190226261 -49000 ekin = 2.72309795319076 | erot = 2.23156431391338 | epot = -21.9468429014909 | etot = -16.9921806343868 -50000 ekin = 2.84714836170718 | erot = 1.99663528516206 | epot = -22.0121784873832 | etot = -17.168394840514 -51000 ekin = 2.89884791688871 | erot = 1.91491454776677 | epot = -22.0530950349948 | etot = -17.2393325703393 -52000 ekin = 3.03617525579655 | erot = 2.19848391536796 | epot = -22.0866976985223 | etot = -16.8520385273578 -53000 ekin = 2.9917537491504 | erot = 2.39711100098148 | epot = -22.1010575333115 | etot = -16.7121927831796 -54000 ekin = 2.99574935861399 | erot = 2.32745187661848 | epot = -22.1028140124057 | etot = -16.7796127771732 -55000 ekin = 2.99570982560687 | erot = 2.49897185698991 | epot = -22.105723856857 | etot = -16.6110421742602 -56000 ekin = 2.94925439949785 | erot = 2.44012089769545 | epot = -22.0870769441157 | etot = -16.6977016469224 -57000 ekin = 2.94734500065235 | erot = 2.12984920172191 | epot = -22.0412734212001 | etot = -16.9640792188258 -58000 ekin = 2.8195513388404 | erot = 2.13458872869613 | epot = -21.9788636009448 | etot = -17.0247235334083 -59000 ekin = 2.70811531854734 | erot = 2.38980716247399 | epot = -21.8949081752973 | etot = -16.7969856942759 -60000 ekin = 2.70414157935546 | erot = 2.55940091198391 | epot = -21.7861093627115 | etot = -16.5225668713721 -61000 ekin = 2.65859389245694 | erot = 2.53396073555877 | epot = -21.6569039895118 | etot = -16.4643493614961 -62000 ekin = 2.60219558362528 | erot = 2.22515394919042 | epot = -21.5116333689022 | etot = -16.6842838360865 -63000 ekin = 2.63153399947686 | erot = 2.22422110021206 | epot = -21.3652621775789 | etot = -16.50950707789 -64000 ekin = 2.74532788694548 | erot = 2.1852310955141 | epot = -21.2714335683308 | etot = -16.3408745858712 -65000 ekin = 2.72054938384344 | erot = 2.0734388946021 | epot = -21.2024805852124 | etot = -16.4084923067669 -66000 ekin = 2.58244112846417 | erot = 2.07735193876559 | epot = -21.1764160570954 | etot = -16.5166229898656 -67000 ekin = 2.57755413160866 | erot = 2.44046690225453 | epot = -21.1906023260749 | etot = -16.1725812922117 -68000 ekin = 2.48736395314817 | erot = 2.12758461162315 | epot = -21.2185147422317 | etot = -16.6035661774604 -69000 ekin = 2.41843849956018 | erot = 2.1851511208093 | epot = -21.2498143720114 | etot = -16.6462247516419 -70000 ekin = 2.42405639999474 | erot = 1.95650329930019 | epot = -21.2748182794301 | etot = -16.8942585801352 -71000 ekin = 2.43121308276011 | erot = 1.85632548443193 | epot = -21.3045707498285 | etot = -17.0170321826365 -72000 ekin = 2.50008703688388 | erot = 1.59919455914919 | epot = -21.3493737552797 | etot = -17.2500921592466 -73000 ekin = 2.68616751062556 | erot = 1.88927937064788 | epot = -21.3998788656788 | etot = -16.8244319844054 -74000 ekin = 2.7264265029667 | erot = 1.98526997108522 | epot = -21.439395334657 | etot = -16.7276988606051 -75000 ekin = 2.82872762184215 | erot = 2.08391491924432 | epot = -21.4749344303949 | etot = -16.5622918893084 -76000 ekin = 2.90099143523702 | erot = 2.16095088121797 | epot = -21.493537150752 | etot = -16.431594834297 -77000 ekin = 3.18544250151158 | erot = 2.00037055601336 | epot = -21.4789486218772 | etot = -16.2931355643523 -78000 ekin = 3.25276485916355 | erot = 2.04037410610702 | epot = -21.4312552501158 | etot = -16.1381162848452 -79000 ekin = 3.31064968204684 | erot = 2.17606310098545 | epot = -21.3489462542885 | etot = -15.8622334712562 -80000 ekin = 3.2501731479278 | erot = 1.78411830235591 | epot = -21.2684346239655 | etot = -16.2341431736818 -81000 ekin = 3.28475664530894 | erot = 1.62694393051346 | epot = -21.2092459483416 | etot = -16.2975453725192 -82000 ekin = 3.22905109952648 | erot = 1.53744252292448 | epot = -21.2050298148134 | etot = -16.4385361923624 -83000 ekin = 3.23231520762087 | erot = 1.77352705563455 | epot = -21.2433468675554 | etot = -16.2375046043 -84000 ekin = 3.2686769392199 | erot = 1.72038623835535 | epot = -21.2969079823477 | etot = -16.3078448047725 -85000 ekin = 3.24886887492836 | erot = 1.71422228707809 | epot = -21.3487304738108 | etot = -16.3856393118043 -86000 ekin = 3.373889669088 | erot = 2.05166004106914 | epot = -21.4140353196306 | etot = -15.9884856094734 -87000 ekin = 3.32398602808484 | erot = 2.11391553019111 | epot = -21.504425162937 | etot = -16.066523604661 -88000 ekin = 3.37321522230413 | erot = 1.88481910803275 | epot = -21.6374519675633 | etot = -16.3794176372264 -89000 ekin = 3.4028784845023 | erot = 1.74012560118448 | epot = -21.7814074383675 | etot = -16.6384033526808 -90000 ekin = 3.56172892861212 | erot = 2.10522136125781 | epot = -21.9615291243627 | etot = -16.2945788344927 -91000 ekin = 3.55669957238083 | erot = 2.42086123522054 | epot = -22.1511779304613 | etot = -16.1736171228599 -92000 ekin = 3.64237791317121 | erot = 2.65970416317374 | epot = -22.3488733671942 | etot = -16.0467912908492 -93000 ekin = 3.71183685172055 | erot = 2.62133287897564 | epot = -22.5092709223126 | etot = -16.1761011916164 -94000 ekin = 3.68157545521776 | erot = 2.45531539887243 | epot = -22.6307602436275 | etot = -16.4938693895373 -95000 ekin = 3.60128502265547 | erot = 2.60141757186748 | epot = -22.7389627643835 | etot = -16.5362601698605 -96000 ekin = 3.53126429160548 | erot = 2.72315885473471 | epot = -22.8177646203461 | etot = -16.5633414740059 -97000 ekin = 3.47335877191586 | erot = 2.74980204474208 | epot = -22.859910231875 | etot = -16.6367494152171 -98000 ekin = 3.36569576671704 | erot = 2.64094316029088 | epot = -22.8536591989749 | etot = -16.847020271967 -99000 ekin = 3.17486973109326 | erot = 2.83643491109138 | epot = -22.8212456182645 | etot = -16.8099409760799 -100000 ekin = 2.98877854809339 | erot = 2.8502739133799 | epot = -22.7838710680406 | etot = -16.9448186065673 -101000 ekin = 2.80581049577987 | erot = 2.78036845929873 | epot = -22.7080420278476 | etot = -17.121863072769 -102000 ekin = 2.6114621154454 | erot = 3.14391622209056 | epot = -22.5804486115116 | etot = -16.8250702739756 -103000 ekin = 2.52473332619747 | erot = 3.13557205223547 | epot = -22.41653637854 | etot = -16.7562310001071 -104000 ekin = 2.38813618870076 | erot = 2.81177058896969 | epot = -22.2533489092942 | etot = -17.0534421316238 -105000 ekin = 2.27037902349693 | erot = 2.38822666643153 | epot = -22.0942448767488 | etot = -17.4356391868203 -106000 ekin = 2.14052224393181 | erot = 2.10858697946661 | epot = -21.9851740201844 | etot = -17.736064796786 -107000 ekin = 2.06068755794712 | erot = 2.32025367575509 | epot = -21.9181411680676 | etot = -17.5371999343654 -108000 ekin = 2.16310171427444 | erot = 2.45914268610281 | epot = -21.8972466640829 | etot = -17.2750022637057 -109000 ekin = 2.1640828140893 | erot = 2.39028083194259 | epot = -21.9223151975609 | etot = -17.367951551529 -110000 ekin = 2.27703874503424 | erot = 2.02252280342038 | epot = -21.9984748890034 | etot = -17.6989133405488 -111000 ekin = 2.42168812145141 | erot = 2.08603766327771 | epot = -22.1196725497682 | etot = -17.611946765039 -112000 ekin = 2.55041354840489 | erot = 2.05316660200929 | epot = -22.2467875616205 | etot = -17.6432074112064 -113000 ekin = 2.65118330223827 | erot = 1.8466330723311 | epot = -22.3714662854257 | etot = -17.8736499108563 -114000 ekin = 2.75066239210866 | erot = 2.06979110412732 | epot = -22.4757786127357 | etot = -17.6553251164997 -115000 ekin = 2.74969592573207 | erot = 2.2067264054263 | epot = -22.5825353241201 | etot = -17.6261129929617 -116000 ekin = 2.8331207613362 | erot = 2.23062165851058 | epot = -22.6813212117303 | etot = -17.6175787918836 -117000 ekin = 2.88175954095802 | erot = 2.38703791420885 | epot = -22.7694466083741 | etot = -17.5006491532072 -118000 ekin = 2.93568625662281 | erot = 2.26039492756772 | epot = -22.8432426400157 | etot = -17.6471614558252 -119000 ekin = 3.19523724062623 | erot = 2.22567760232914 | epot = -22.8880366342743 | etot = -17.4671217913189 -120000 ekin = 3.17008032268746 | erot = 2.25532705796801 | epot = -22.9065026704633 | etot = -17.4810952898079 -121000 ekin = 3.22925408627785 | erot = 2.4213919893106 | epot = -22.9068338710661 | etot = -17.2561877954777 -122000 ekin = 3.16756628646263 | erot = 2.29253955659867 | epot = -22.9100933328213 | etot = -17.44998748976 -123000 ekin = 3.13886988858722 | erot = 1.8737391679277 | epot = -22.9201354096178 | etot = -17.9075263531029 -124000 ekin = 3.07340133048022 | erot = 2.07486210586022 | epot = -22.9196688561523 | etot = -17.7714054198119 -125000 ekin = 3.01797638857695 | erot = 1.75538270899544 | epot = -22.9139839700498 | etot = -18.1406248724774 -126000 ekin = 2.96636842974588 | erot = 1.89046865067189 | epot = -22.9078794876244 | etot = -18.0510424072066 -127000 ekin = 2.99891017927352 | erot = 1.92488638621197 | epot = -22.8780661376738 | etot = -17.9542695721883 -128000 ekin = 3.07056715413782 | erot = 1.99149347655674 | epot = -22.8571726497158 | etot = -17.7951120190212 -129000 ekin = 3.00434595988796 | erot = 1.94814247853284 | epot = -22.8246013230694 | etot = -17.8721128846486 -130000 ekin = 2.83701493144512 | erot = 2.50342892051145 | epot = -22.760915431814 | etot = -17.4204715798574 -131000 ekin = 2.7247248423437 | erot = 2.70734329989559 | epot = -22.6636087699672 | etot = -17.2315406277279 -132000 ekin = 2.62389553593814 | erot = 2.52695276027317 | epot = -22.5087045821917 | etot = -17.3578562859804 -133000 ekin = 2.63528199515895 | erot = 2.39127524409791 | epot = -22.2966493236603 | etot = -17.2700920844034 -134000 ekin = 2.50610716876234 | erot = 2.09594811418196 | epot = -22.0718067043303 | etot = -17.469751421386 -135000 ekin = 2.48472772183192 | erot = 2.14881599404771 | epot = -21.8608678335614 | etot = -17.2273241176818 -136000 ekin = 2.5338227584519 | erot = 1.74309578227986 | epot = -21.6765558191781 | etot = -17.3996372784464 -137000 ekin = 2.57036342314514 | erot = 1.75885685985375 | epot = -21.5407454007371 | etot = -17.2115251177382 -138000 ekin = 2.52929445682248 | erot = 1.91945977351017 | epot = -21.4409011955172 | etot = -16.9921469651846 -139000 ekin = 2.57663737105064 | erot = 1.80679457632205 | epot = -21.38609742836 | etot = -17.0026654809873 -140000 ekin = 2.62053160118786 | erot = 1.51774101989578 | epot = -21.3676503668328 | etot = -17.2293777457491 -141000 ekin = 2.61189200494664 | erot = 1.55065515745556 | epot = -21.3802632860277 | etot = -17.2177161236255 -142000 ekin = 2.51798883678621 | erot = 1.67942283127788 | epot = -21.4214580445684 | etot = -17.2240463765043 -143000 ekin = 2.49892771964519 | erot = 1.52127122899841 | epot = -21.4923083558109 | etot = -17.4721094071673 -144000 ekin = 2.54740250437643 | erot = 1.82241986650816 | epot = -21.6130145049208 | etot = -17.2431921340362 -145000 ekin = 2.56862853368622 | erot = 2.1447132249399 | epot = -21.7452461002774 | etot = -17.0319043416513 -146000 ekin = 2.67329509039846 | erot = 2.25975512947158 | epot = -21.8437012603417 | etot = -16.9106510404716 -147000 ekin = 2.68893868818076 | erot = 2.5571840144698 | epot = -21.9010658016926 | etot = -16.6549430990421 -148000 ekin = 2.81386130771017 | erot = 2.59830584821738 | epot = -21.9210519662198 | etot = -16.5088848102922 -149000 ekin = 2.74990137245693 | erot = 2.32741538507083 | epot = -21.9278539711831 | etot = -16.8505372136554 -150000 ekin = 2.69038170783762 | erot = 2.42676335467437 | epot = -21.8989948167628 | etot = -16.7818497542508 -151000 ekin = 2.66678982895817 | erot = 2.39492028203052 | epot = -21.7008835367963 | etot = -16.6391734258076 -152000 ekin = 2.67029595868374 | erot = 2.53847066661996 | epot = -21.58945786599 | etot = -16.3806912406863 -153000 ekin = 2.70694158654287 | erot = 2.72265775556542 | epot = -21.7448041240556 | etot = -16.3152047819474 -154000 ekin = 2.79926075391894 | erot = 2.75974679901138 | epot = -21.8203547485968 | etot = -16.2613471956665 -155000 ekin = 2.72511299719384 | erot = 2.88818303221402 | epot = -21.7319777070927 | etot = -16.1186816776849 -156000 ekin = 2.65694010664888 | erot = 2.78004189782679 | epot = -21.6308520721291 | etot = -16.1938700676535 -157000 ekin = 2.56365508198589 | erot = 2.71035147954055 | epot = -21.5253087387144 | etot = -16.2513021771879 -158000 ekin = 2.57548107386935 | erot = 2.73764982143009 | epot = -21.4382452043716 | etot = -16.1251143090722 -159000 ekin = 2.55799392432016 | erot = 2.92697271834229 | epot = -21.3737314732345 | etot = -15.8887648305721 -160000 ekin = 2.54679486207657 | erot = 2.80531497281534 | epot = -21.3130996693774 | etot = -15.9609898344855 -161000 ekin = 2.47207886924354 | erot = 2.90722613339802 | epot = -21.2672221196592 | etot = -15.8879171170176 -162000 ekin = 2.51623650472983 | erot = 2.57045306394745 | epot = -21.2288584749409 | etot = -16.1421689062636 -163000 ekin = 2.52126404883986 | erot = 2.48352069988729 | epot = -21.2217116449117 | etot = -16.2169268961845 -164000 ekin = 2.53114565385919 | erot = 2.34165200793308 | epot = -21.2429890011701 | etot = -16.3701913393778 -165000 ekin = 2.596603432361 | erot = 2.12645014227913 | epot = -21.2869963722373 | etot = -16.5639427975971 -166000 ekin = 2.69364521809338 | erot = 2.06502693559822 | epot = -21.3443825816706 | etot = -16.585710427979 -167000 ekin = 2.72157576348883 | erot = 2.11628142912504 | epot = -21.4170430149544 | etot = -16.5791858223406 -168000 ekin = 2.74006852516301 | erot = 2.1612636068734 | epot = -21.5099197935658 | etot = -16.6085876615294 -169000 ekin = 2.84315657816748 | erot = 1.97243923170456 | epot = -21.5949265249798 | etot = -16.7793307151078 -170000 ekin = 3.06124015523346 | erot = 1.92459124184599 | epot = -21.6783552680506 | etot = -16.6925238709712 -171000 ekin = 3.21151355702384 | erot = 1.59351420769795 | epot = -21.762225949322 | etot = -16.9571981846002 -172000 ekin = 3.36544412726444 | erot = 1.67007198308074 | epot = -21.8306762430335 | etot = -16.7951601326883 -173000 ekin = 3.41001134336544 | erot = 1.87953941868176 | epot = -21.878702000715 | etot = -16.5891512386678 -174000 ekin = 3.46376447230286 | erot = 1.96688973070303 | epot = -21.9078990210446 | etot = -16.4772448180387 -175000 ekin = 3.47678931181588 | erot = 1.55890709488263 | epot = -21.88501807375 | etot = -16.8493216670515 -176000 ekin = 3.20686196070586 | erot = 1.54933373538616 | epot = -21.8330978877433 | etot = -17.0769021916513 -177000 ekin = 3.13331042952705 | erot = 1.28865733070247 | epot = -21.7390998162162 | etot = -17.3171320559867 -178000 ekin = 3.06763392821204 | erot = 1.26897291328761 | epot = -21.6342141405499 | etot = -17.2976072990502 -179000 ekin = 3.0267475315226 | erot = 1.57409428962025 | epot = -21.5270591512614 | etot = -16.9262173301185 -180000 ekin = 3.03569853606418 | erot = 1.67758058394334 | epot = -21.4169893849026 | etot = -16.7037102648951 -181000 ekin = 2.85389178964206 | erot = 1.75333728320481 | epot = -21.3395105909862 | etot = -16.7322815181393 -182000 ekin = 2.7424437130026 | erot = 1.80493411676468 | epot = -21.2869584133413 | etot = -16.739580583574 -183000 ekin = 2.76150374616111 | erot = 1.81761006388004 | epot = -21.2282765342437 | etot = -16.6491627242026 -184000 ekin = 2.69206274097713 | erot = 1.86375380676946 | epot = -21.1764923592867 | etot = -16.6206758115401 -185000 ekin = 2.62052583157023 | erot = 2.07457833425477 | epot = -21.1511718680906 | etot = -16.4560677022656 -186000 ekin = 2.54874716739377 | erot = 2.15191323422227 | epot = -21.12970319865 | etot = -16.429042797034 -187000 ekin = 2.47899352285435 | erot = 2.12131864753473 | epot = -21.1527973741677 | etot = -16.5524852037786 -188000 ekin = 2.40242843893253 | erot = 2.28274972847695 | epot = -21.2023943736364 | etot = -16.5172162062269 -189000 ekin = 2.24542511336507 | erot = 2.32237220121096 | epot = -21.2650187542766 | etot = -16.6972214397006 -190000 ekin = 2.27331885209491 | erot = 2.4610105377636 | epot = -21.3641240186242 | etot = -16.6297946287657 -191000 ekin = 2.38811474192591 | erot = 2.65597612519354 | epot = -21.4523608275388 | etot = -16.4082699604193 -192000 ekin = 2.35492395959151 | erot = 3.12866296082005 | epot = -21.5455989503755 | etot = -16.0620120299639 -193000 ekin = 2.33255266209782 | erot = 3.16650140028571 | epot = -21.6305745065443 | etot = -16.1315204441607 -194000 ekin = 2.3664165449988 | erot = 3.75512105430481 | epot = -21.7057940648226 | etot = -15.584256465519 -195000 ekin = 2.27714091943424 | erot = 4.22857583198264 | epot = -21.7506289706187 | etot = -15.2449122192018 -196000 ekin = 2.25022759887642 | erot = 4.19721047469103 | epot = -21.7392596229739 | etot = -15.2918215494065 -197000 ekin = 2.13566163028441 | erot = 3.96282097735922 | epot = -21.6861725112141 | etot = -15.5876899035705 -198000 ekin = 2.100264771743 | erot = 3.46946292854128 | epot = -21.6151658929782 | etot = -16.045438192694 -199000 ekin = 2.06841069526369 | erot = 3.02621949814231 | epot = -21.5580043865078 | etot = -16.4633741931018 -200000 ekin = 2.07457887577956 | erot = 3.1563287507984 | epot = -21.5271681184487 | etot = -16.2962604918707 -201000 ekin = 2.22865169770726 | erot = 2.68086789208483 | epot = -21.5402772694356 | etot = -16.6307576796436 -202000 ekin = 2.2134468038606 | erot = 2.70841026008599 | epot = -21.5670967607414 | etot = -16.6452396967948 -203000 ekin = 2.29378527554827 | erot = 2.48093430470295 | epot = -21.5962341727991 | etot = -16.8215145925479 -204000 ekin = 2.25828607560487 | erot = 2.50063815518558 | epot = -21.6380337966632 | etot = -16.8791095658728 -205000 ekin = 2.39913678175079 | erot = 2.62281981805075 | epot = -21.6838133695188 | etot = -16.6618567697172 -206000 ekin = 2.51393947992585 | erot = 2.55239552126186 | epot = -21.7215385309812 | etot = -16.6552035297934 -207000 ekin = 2.55579745831526 | erot = 2.31728514006586 | epot = -21.7786985680232 | etot = -16.905615969642 -208000 ekin = 2.61391306966582 | erot = 2.10777835345235 | epot = -21.7882764620354 | etot = -17.0665850389173 -209000 ekin = 2.67160585819059 | erot = 2.09388960655156 | epot = -21.8382664978829 | etot = -17.0727710331407 -210000 ekin = 2.82942438299537 | erot = 2.13327984174743 | epot = -21.9979383135577 | etot = -17.0352340888149 -211000 ekin = 2.92049266864328 | erot = 2.12124523148429 | epot = -22.2280513777038 | etot = -17.1863134775763 -212000 ekin = 3.00277061822758 | erot = 2.39488452737938 | epot = -22.4022759841391 | etot = -17.0046208385321 -213000 ekin = 3.13095859457293 | erot = 2.47163847125458 | epot = -22.5628987907077 | etot = -16.9603017248801 -214000 ekin = 3.23740343206466 | erot = 2.34793353448063 | epot = -22.7059476770017 | etot = -17.1206107104565 -215000 ekin = 3.25450904082695 | erot = 2.2622265725469 | epot = -22.8087885080489 | etot = -17.292052894675 -216000 ekin = 3.33545375500928 | erot = 2.25051135075666 | epot = -22.8910607863363 | etot = -17.3050956805704 -217000 ekin = 3.40631462781497 | erot = 2.45810884416318 | epot = -22.9502612260088 | etot = -17.0858377540307 -218000 ekin = 3.44211621843073 | erot = 2.40223178526955 | epot = -22.9724005123082 | etot = -17.128052508608 -219000 ekin = 3.35851747520084 | erot = 2.36223123268451 | epot = -22.9879332629406 | etot = -17.2671845550552 -220000 ekin = 3.2833944039116 | erot = 2.48348910158844 | epot = -22.9865937389542 | etot = -17.2197102334541 -221000 ekin = 3.19824562561904 | erot = 2.63802923468698 | epot = -22.9470020981349 | etot = -17.1107272378289 -222000 ekin = 3.05410812074653 | erot = 2.59372727399098 | epot = -22.8798801579581 | etot = -17.2320447632206 -223000 ekin = 3.01415969068795 | erot = 2.70890225393128 | epot = -22.7801464118767 | etot = -17.0570844672575 -224000 ekin = 2.97180261675446 | erot = 2.69506479286097 | epot = -22.6737182851749 | etot = -17.0068508755595 -225000 ekin = 2.90964642881874 | erot = 2.70979121573947 | epot = -22.6122851651091 | etot = -16.9928475205509 -226000 ekin = 2.79266706207817 | erot = 2.54927288052975 | epot = -22.611389662458 | etot = -17.26944971985 -227000 ekin = 2.76947170660882 | erot = 2.30328015123565 | epot = -22.6467409582568 | etot = -17.5739891004123 -228000 ekin = 2.78325047375845 | erot = 2.27271216177592 | epot = -22.7198790647036 | etot = -17.6639164291692 -229000 ekin = 2.76112130647928 | erot = 2.39217451148942 | epot = -22.800187069951 | etot = -17.6468912519823 -230000 ekin = 2.84369730914524 | erot = 2.42541769291401 | epot = -22.8608578528069 | etot = -17.5917428507477 -231000 ekin = 2.92519379372213 | erot = 2.78019508855837 | epot = -22.8903712559506 | etot = -17.1849823736701 -232000 ekin = 2.92995659411159 | erot = 2.33228808377075 | epot = -22.8760374316385 | etot = -17.6137927537562 -233000 ekin = 2.87287398890677 | erot = 2.17970441616599 | epot = -22.8206945159733 | etot = -17.7681161109006 -234000 ekin = 2.91717500618588 | erot = 2.07964949395211 | epot = -22.7337466562911 | etot = -17.7369221561531 -235000 ekin = 2.8884995634762 | erot = 1.8755917714471 | epot = -22.6649585599089 | etot = -17.9008672249856 -236000 ekin = 2.84502452090017 | erot = 1.92993964719768 | epot = -22.5730839299946 | etot = -17.7981197618968 -237000 ekin = 2.7747867075964 | erot = 2.00862555824013 | epot = -22.4470131017474 | etot = -17.6636008359109 -238000 ekin = 2.77623252972565 | erot = 1.8578135840649 | epot = -22.3442251833764 | etot = -17.7101790695858 -239000 ekin = 2.72624274520984 | erot = 1.82537539862894 | epot = -22.3075370346696 | etot = -17.7559188908308 -240000 ekin = 2.68874575599069 | erot = 2.08791431147562 | epot = -22.3178202354351 | etot = -17.5411601679688 -241000 ekin = 2.71558535720494 | erot = 2.36223789024905 | epot = -22.3776608268973 | etot = -17.2998375794433 -242000 ekin = 2.74214545076413 | erot = 2.6946745247038 | epot = -22.4730205135828 | etot = -17.0362005381149 -243000 ekin = 2.65488365755478 | erot = 3.08626659584901 | epot = -22.6054224397351 | etot = -16.8642721863313 -244000 ekin = 2.61050010484593 | erot = 3.05400040440766 | epot = -22.7622139439541 | etot = -17.0977134347005 -245000 ekin = 2.51883913658106 | erot = 3.07372030776083 | epot = -22.9307904494801 | etot = -17.3382310051382 -246000 ekin = 2.44808144989854 | erot = 2.89693270460534 | epot = -23.0903087154634 | etot = -17.7452945609595 -247000 ekin = 2.37103549600039 | erot = 2.98987101470682 | epot = -23.2167155364782 | etot = -17.8558090257709 -248000 ekin = 2.35707290060479 | erot = 2.62430509692223 | epot = -23.3107153472033 | etot = -18.3293373496762 -249000 ekin = 2.34573908311325 | erot = 2.540797635533 | epot = -23.3554639865935 | etot = -18.4689272679472 -250000 ekin = 2.19516079867449 | erot = 2.53320956727957 | epot = -23.3422435052511 | etot = -18.613873139297 -251000 ekin = 2.20157992848163 | erot = 2.54497162272741 | epot = -23.2895519821722 | etot = -18.5430004309631 -252000 ekin = 2.2945536597844 | erot = 2.27849916282306 | epot = -23.2346327540815 | etot = -18.661579931474 -253000 ekin = 2.24131781303689 | erot = 2.67744517517055 | epot = -23.1772273391452 | etot = -18.2584643509378 -254000 ekin = 2.21098192296338 | erot = 2.82095770992409 | epot = -23.1168686504973 | etot = -18.0849290176098 -255000 ekin = 2.19143060712001 | erot = 2.87369415644551 | epot = -23.0553324396616 | etot = -17.9902076760961 -256000 ekin = 2.10428673283323 | erot = 2.5284481661157 | epot = -22.989209826487 | etot = -18.3564749275381 -257000 ekin = 2.0901878769077 | erot = 2.57115406533198 | epot = -22.9241936332316 | etot = -18.262851690992 -258000 ekin = 2.19626617792815 | erot = 2.13919571497503 | epot = -22.8452199017343 | etot = -18.5097580088311 -259000 ekin = 2.21294203759051 | erot = 2.07911733890805 | epot = -22.7764097043272 | etot = -18.4843503278287 -260000 ekin = 2.22988124635537 | erot = 1.88363114769121 | epot = -22.7226746972068 | etot = -18.6091623031603 -261000 ekin = 2.23359219993357 | erot = 1.70662190809934 | epot = -22.6865933594041 | etot = -18.7463792513712 -262000 ekin = 2.41035894748686 | erot = 1.75350704630797 | epot = -22.6655731083551 | etot = -18.5017071145602 -263000 ekin = 2.54297814673108 | erot = 1.63910792627687 | epot = -22.6660944245488 | etot = -18.4840083515409 -264000 ekin = 2.6204802717585 | erot = 1.60167126997723 | epot = -22.6963818864548 | etot = -18.474230344719 -265000 ekin = 2.63395951584548 | erot = 1.61464895664043 | epot = -22.7525488508233 | etot = -18.5039403783374 -266000 ekin = 2.66249523510546 | erot = 1.90346143383775 | epot = -22.8357396370455 | etot = -18.2697829681023 -267000 ekin = 2.84840089865289 | erot = 1.96973814380149 | epot = -22.922895038939 | etot = -18.1047559964846 -268000 ekin = 2.88773992899432 | erot = 2.23404496611554 | epot = -23.0126109152364 | etot = -17.8908260201265 -269000 ekin = 2.95881152251244 | erot = 2.36308023135759 | epot = -23.0806209903755 | etot = -17.7587292365055 -270000 ekin = 3.19922667657027 | erot = 2.31987744595648 | epot = -23.0997207459547 | etot = -17.580616623428 -271000 ekin = 3.3047444353159 | erot = 2.18146213267916 | epot = -23.0923869412848 | etot = -17.6061803732897 -272000 ekin = 3.38316630950203 | erot = 2.27626381008298 | epot = -23.0565644655524 | etot = -17.3971343459674 -273000 ekin = 3.44314429393645 | erot = 2.33103394910062 | epot = -22.998686348507 | etot = -17.2245081054699 -274000 ekin = 3.29733836463975 | erot = 2.35460687412698 | epot = -22.9061895162167 | etot = -17.25424427745 -275000 ekin = 3.20483849389283 | erot = 2.17592485213268 | epot = -22.8033610976753 | etot = -17.4225977516498 -276000 ekin = 3.17952696643828 | erot = 2.53631962219392 | epot = -22.6964713302164 | etot = -16.9806247415842 -277000 ekin = 3.04779312524468 | erot = 2.63224846283753 | epot = -22.5925250147673 | etot = -16.9124834266851 -278000 ekin = 2.88882241520588 | erot = 2.44295768771974 | epot = -22.5096077221473 | etot = -17.1778276192217 -279000 ekin = 2.74458059242858 | erot = 2.34689014914025 | epot = -22.4433740610141 | etot = -17.3519033194453 -280000 ekin = 2.7554105836729 | erot = 2.40118989847531 | epot = -22.385537427078 | etot = -17.2289369449298 -281000 ekin = 2.66532300538255 | erot = 2.21704056459407 | epot = -22.3765161892643 | etot = -17.4941526192876 -282000 ekin = 2.60731940802894 | erot = 2.15906154555104 | epot = -22.3929020360192 | etot = -17.6265210824392 -283000 ekin = 2.58513425203912 | erot = 2.06481653587231 | epot = -22.408196701954 | etot = -17.7582459140426 -284000 ekin = 2.54858019457344 | erot = 2.2457247845057 | epot = -22.444591926386 | etot = -17.6502869473068 -285000 ekin = 2.55758171617785 | erot = 2.76460913859725 | epot = -22.514158659392 | etot = -17.1919678046169 -286000 ekin = 2.60821734500508 | erot = 3.16634932217223 | epot = -22.5929692498766 | etot = -16.8184025826992 -287000 ekin = 2.49254766601119 | erot = 3.15514661858264 | epot = -22.6449148716492 | etot = -16.9972205870554 -288000 ekin = 2.50066439821554 | erot = 3.49719403955153 | epot = -22.6803477105654 | etot = -16.6824892727983 -289000 ekin = 2.44598353504081 | erot = 3.34215032544747 | epot = -22.6895361095333 | etot = -16.901402249045 -290000 ekin = 2.3935982307273 | erot = 3.11268440307227 | epot = -22.6698244131813 | etot = -17.1635417793817 -291000 ekin = 2.4261701183146 | erot = 2.85487514428649 | epot = -22.6626122342503 | etot = -17.3815669716492 -292000 ekin = 2.40772687076946 | erot = 2.75801742060096 | epot = -22.6754806613924 | etot = -17.509736370022 -293000 ekin = 2.42154585346474 | erot = 2.56313321462425 | epot = -22.7028245536538 | etot = -17.7181454855648 -294000 ekin = 2.47283091667028 | erot = 2.92407822599823 | epot = -22.7233881302524 | etot = -17.3264789875839 -295000 ekin = 2.48250330737231 | erot = 2.66001264724744 | epot = -22.7516848410687 | etot = -17.6091688864489 -296000 ekin = 2.50738582337513 | erot = 2.53234484293194 | epot = -22.7873334660358 | etot = -17.7476027997287 -297000 ekin = 2.57517392062617 | erot = 2.82176475993525 | epot = -22.8071785750426 | etot = -17.4102398944812 -298000 ekin = 2.64719948459876 | erot = 2.59986611083038 | epot = -22.8000961016266 | etot = -17.5530305061974 -299000 ekin = 2.5779494927199 | erot = 2.50163391190624 | epot = -22.777423569021 | etot = -17.6978401643949 -300000 ekin = 2.54202853433729 | erot = 2.50188796046293 | epot = -22.7359935186374 | etot = -17.6920770238372 -301000 ekin = 2.53853550508124 | erot = 2.33138966267646 | epot = -22.668055568127 | etot = -17.7981304003693 -302000 ekin = 2.5416467257922 | erot = 2.35968144693469 | epot = -22.6002854710846 | etot = -17.6989572983577 -303000 ekin = 2.55152004910031 | erot = 2.25570939719572 | epot = -22.546491206588 | etot = -17.7392617602919 -304000 ekin = 2.43742201255293 | erot = 1.93302414776487 | epot = -22.4953520351471 | etot = -18.1249058748293 -305000 ekin = 2.37256740983366 | erot = 1.99906686310167 | epot = -22.4852720256445 | etot = -18.1136377527092 -306000 ekin = 2.33394239199436 | erot = 1.95361217330024 | epot = -22.4994393613202 | etot = -18.2118847960256 -307000 ekin = 2.36433385317702 | erot = 2.09819856998267 | epot = -22.5498835871989 | etot = -18.0873511640392 -308000 ekin = 2.39069887757527 | erot = 2.58247807487919 | epot = -22.6356145598506 | etot = -17.6624376073962 -309000 ekin = 2.42870516593961 | erot = 2.50601430493647 | epot = -22.7376993972852 | etot = -17.8029799264091 -310000 ekin = 2.59762961960999 | erot = 2.86657561799355 | epot = -22.8270893622473 | etot = -17.3628841246438 -311000 ekin = 2.5804504148771 | erot = 3.23112647307674 | epot = -22.8820505528211 | etot = -17.0704736648672 -312000 ekin = 2.55765290476199 | erot = 3.46227005563457 | epot = -22.8938340197387 | etot = -16.8739110593421 -313000 ekin = 2.55944192884797 | erot = 3.26655870580155 | epot = -22.8884040353445 | etot = -17.062403400695 -314000 ekin = 2.66754752507794 | erot = 3.03950571405864 | epot = -22.8258761802466 | etot = -17.11882294111 -315000 ekin = 2.73855283007325 | erot = 2.99016186621305 | epot = -22.7272216366887 | etot = -16.9985069404024 -316000 ekin = 2.80269198455225 | erot = 2.86307192976269 | epot = -22.5938909114045 | etot = -16.9281269970896 -317000 ekin = 2.93621184769342 | erot = 2.59361256238003 | epot = -22.4292070317097 | etot = -16.8993826216363 -318000 ekin = 2.8975852606956 | erot = 2.51740962219028 | epot = -22.2783865388303 | etot = -16.8633916559444 -319000 ekin = 2.91605528220967 | erot = 2.46065370098588 | epot = -22.1337044367048 | etot = -16.7569954535092 -320000 ekin = 3.07107505335126 | erot = 2.32265497319516 | epot = -21.9969159416465 | etot = -16.6031859151 -321000 ekin = 3.13741654111418 | erot = 2.10166654249781 | epot = -21.9003082194708 | etot = -16.6612251358588 -322000 ekin = 3.25007976010091 | erot = 2.45741622169982 | epot = -21.8520535793253 | etot = -16.1445575975246 -323000 ekin = 3.23909847348114 | erot = 2.53403753206016 | epot = -21.85400214387 | etot = -16.0808661383287 -324000 ekin = 3.38563358070231 | erot = 2.17311589402306 | epot = -21.900909860486 | etot = -16.3421603857606 -325000 ekin = 3.34278974993512 | erot = 2.12874487522943 | epot = -21.9500890276594 | etot = -16.4785544024948 -326000 ekin = 3.38095563952734 | erot = 1.87895018746853 | epot = -21.9795682650693 | etot = -16.7196624380734 -327000 ekin = 3.38255419804518 | erot = 2.15889018224061 | epot = -22.0134841360962 | etot = -16.4720397558104 -328000 ekin = 3.40032271527505 | erot = 2.44697536300071 | epot = -22.0234507590408 | etot = -16.176152680765 -329000 ekin = 3.42165866167045 | erot = 2.23397608707596 | epot = -21.996507984308 | etot = -16.3408732355616 -330000 ekin = 3.4049518958943 | erot = 2.16314285762149 | epot = -21.9196276290174 | etot = -16.3515328755016 -331000 ekin = 3.17548117127386 | erot = 2.09607585596631 | epot = -21.7944989890111 | etot = -16.5229419617709 -332000 ekin = 2.98417545246671 | erot = 2.49335753705494 | epot = -21.6758679740327 | etot = -16.1983349845111 -333000 ekin = 2.88789613747822 | erot = 2.25591859160928 | epot = -21.5606249971909 | etot = -16.4168102681034 -334000 ekin = 2.72802815944278 | erot = 2.34583544867019 | epot = -21.5029467999943 | etot = -16.4290831918814 -335000 ekin = 2.67984094653365 | erot = 2.55944269027805 | epot = -21.5037191469947 | etot = -16.264435510183 -336000 ekin = 2.69835695167792 | erot = 2.67075019722183 | epot = -21.5450631550405 | etot = -16.1759560061407 -337000 ekin = 2.58419106934196 | erot = 3.12853087323269 | epot = -21.6433168369331 | etot = -15.9305948943584 -338000 ekin = 2.49996061258834 | erot = 3.11218673292016 | epot = -21.7506422483336 | etot = -16.1384949028251 -339000 ekin = 2.39574216262849 | erot = 3.08063585267057 | epot = -21.8692124850348 | etot = -16.3928344697357 -340000 ekin = 2.49232794145647 | erot = 2.98019099132304 | epot = -21.9771878613075 | etot = -16.5046689285279 -341000 ekin = 2.49715634905669 | erot = 2.90079807725769 | epot = -22.0570317432504 | etot = -16.659077316936 -342000 ekin = 2.5171609306997 | erot = 2.82265055007451 | epot = -22.1164185335397 | etot = -16.7766070527655 -343000 ekin = 2.4860981088623 | erot = 2.72316461109179 | epot = -22.1874092656393 | etot = -16.9781465456852 -344000 ekin = 2.59185701101002 | erot = 2.80189377403283 | epot = -22.2240461219156 | etot = -16.8302953368728 -345000 ekin = 2.75203781955693 | erot = 2.78048504556997 | epot = -22.228777643338 | etot = -16.6962547782111 -346000 ekin = 2.81389530494876 | erot = 2.33407306131948 | epot = -22.2248537826431 | etot = -17.0768854163749 -347000 ekin = 2.93912104005356 | erot = 2.50008170041738 | epot = -22.249868336818 | etot = -16.810665596347 -348000 ekin = 2.96773185111308 | erot = 2.74343934252203 | epot = -22.2560808039813 | etot = -16.5449096103462 -349000 ekin = 3.13040986998839 | erot = 2.80190275823782 | epot = -22.2470744750917 | etot = -16.3147618468654 -350000 ekin = 3.08696501979114 | erot = 2.86847264662999 | epot = -22.2200203810507 | etot = -16.2645827146296 -351000 ekin = 3.09062650768659 | erot = 2.55040952388055 | epot = -22.2196533454769 | etot = -16.5786173139098 -352000 ekin = 3.11537871248049 | erot = 2.20508138812276 | epot = -22.2132969704675 | etot = -16.8928368698642 -353000 ekin = 3.0715606127648 | erot = 2.27110385815633 | epot = -22.1942519415341 | etot = -16.851587470613 -354000 ekin = 3.03625905361607 | erot = 2.28070870858904 | epot = -22.1756814217728 | etot = -16.8587136595677 -355000 ekin = 3.05199381136596 | erot = 2.27451340050885 | epot = -22.1583132038245 | etot = -16.8318059919496 -356000 ekin = 3.08455685206846 | erot = 2.22987943802131 | epot = -22.1433269864766 | etot = -16.8288906963869 -357000 ekin = 3.05732303271328 | erot = 2.39309407849547 | epot = -22.1193520318396 | etot = -16.6689349206308 -358000 ekin = 3.17110061451348 | erot = 2.70306029074059 | epot = -22.11823298523 | etot = -16.2440720799759 -359000 ekin = 3.16486963450215 | erot = 2.78686781955525 | epot = -22.1253692631305 | etot = -16.1736318090731 -360000 ekin = 3.13851448508919 | erot = 2.57867504445972 | epot = -22.1430585034903 | etot = -16.4258689739414 -361000 ekin = 3.10180460440794 | erot = 2.91879652221926 | epot = -22.1488150833327 | etot = -16.1282139567055 -362000 ekin = 3.05062554845321 | erot = 3.01028278746073 | epot = -22.1455190064011 | etot = -16.0846106704872 -363000 ekin = 3.05887916756222 | erot = 2.9828696644243 | epot = -22.1197448021474 | etot = -16.0779959701609 -364000 ekin = 2.97835573270404 | erot = 3.15819469882598 | epot = -22.0865889777576 | etot = -15.9500385462276 -365000 ekin = 2.91386725267312 | erot = 3.01797244564504 | epot = -22.0367345005041 | etot = -16.1048948021859 -366000 ekin = 2.84923441171891 | erot = 2.78629016923761 | epot = -21.9575039957298 | etot = -16.3219794147733 -367000 ekin = 2.68353251880636 | erot = 2.48104091468958 | epot = -21.89853718758 | etot = -16.7339637540841 -368000 ekin = 2.65983333900825 | erot = 2.52342977423081 | epot = -21.8801683018794 | etot = -16.6969051886403 -369000 ekin = 2.57098271373623 | erot = 2.1378338745132 | epot = -21.8712180667081 | etot = -17.1624014784587 -370000 ekin = 2.46719741991489 | erot = 2.19165130675154 | epot = -21.8880397158873 | etot = -17.2291909892209 -371000 ekin = 2.36101704058605 | erot = 2.37151178551908 | epot = -21.871259635484 | etot = -17.1387308093789 -372000 ekin = 2.3529234961604 | erot = 1.93814576615854 | epot = -21.8337068682175 | etot = -17.5426376058985 -373000 ekin = 2.22654652898949 | erot = 1.97312401893844 | epot = -21.7946812690266 | etot = -17.5950107210987 -374000 ekin = 2.10841533505384 | erot = 2.42321715998308 | epot = -21.7582816122237 | etot = -17.2266491171868 -375000 ekin = 2.09694600146956 | erot = 2.65841461817976 | epot = -21.7455351907437 | etot = -16.9901745710944 -376000 ekin = 2.01640282060135 | erot = 2.942674608739 | epot = -21.7585878275115 | etot = -16.7995103981711 -377000 ekin = 1.9663942011233 | erot = 3.0881995707429 | epot = -21.7692932541817 | etot = -16.7146994823155 -378000 ekin = 1.85818028079322 | erot = 2.93893488746254 | epot = -21.788829140459 | etot = -16.9917139722032 -379000 ekin = 1.80977620668718 | erot = 2.89686403333532 | epot = -21.8021607659805 | etot = -17.095520525958 -380000 ekin = 1.73240863049982 | erot = 3.31083227305493 | epot = -21.8040178365908 | etot = -16.7607769330361 -381000 ekin = 1.78593665245932 | erot = 3.00437887789568 | epot = -21.8146190159381 | etot = -17.0243034855831 -382000 ekin = 1.81833924259099 | erot = 3.29223624038112 | epot = -21.833830872214 | etot = -16.7232553892418 -383000 ekin = 1.90372822779348 | erot = 3.22237238702126 | epot = -21.8485569566827 | etot = -16.722456341868 -384000 ekin = 1.84908071228733 | erot = 3.12652639081515 | epot = -21.7977736604942 | etot = -16.8221665573917 -385000 ekin = 1.92406985540241 | erot = 2.87503823935564 | epot = -21.7109558633046 | etot = -16.9118477685465 -386000 ekin = 2.08459192251278 | erot = 2.45881013772459 | epot = -21.8127875838316 | etot = -17.2693855235942 -387000 ekin = 2.14831947455658 | erot = 2.58103233380244 | epot = -21.9657785164539 | etot = -17.2364267080948 -388000 ekin = 2.20283399392825 | erot = 2.65764672350559 | epot = -22.0644231935263 | etot = -17.2039424760924 -389000 ekin = 2.20238885724331 | erot = 2.65111850895059 | epot = -22.151623488139 | etot = -17.2981161219451 -390000 ekin = 2.24047588961193 | erot = 2.79913619901823 | epot = -22.2380523913912 | etot = -17.1984403027611 -391000 ekin = 2.27798913986011 | erot = 2.58277083989431 | epot = -22.3159667090674 | etot = -17.455206729313 -392000 ekin = 2.25449982760669 | erot = 2.37888824458213 | epot = -22.360585059292 | etot = -17.7271969871032 -393000 ekin = 2.40321868579769 | erot = 2.29619394920022 | epot = -22.4007355614942 | etot = -17.7013229264963 -394000 ekin = 2.3847224913627 | erot = 2.02605124890776 | epot = -22.4166559581037 | etot = -18.0058822178332 -395000 ekin = 2.35870737602685 | erot = 2.13809618093399 | epot = -22.4618388912501 | etot = -17.9650353342892 -396000 ekin = 2.36594751638181 | erot = 2.35329585924258 | epot = -22.4900242189753 | etot = -17.7707808433509 -397000 ekin = 2.32162964157157 | erot = 2.38815965169885 | epot = -22.5051745520066 | etot = -17.7953852587362 -398000 ekin = 2.28093171176819 | erot = 2.45784979337996 | epot = -22.4904502460559 | etot = -17.7516687409078 -399000 ekin = 2.24440009076081 | erot = 2.20375095522984 | epot = -22.4593286712299 | etot = -18.0111776252392 -400000 ekin = 2.21650351836316 | erot = 2.11035067120502 | epot = -22.4071568047283 | etot = -18.0803026151601 -401000 ekin = 2.18808947871548 | erot = 2.05046808146155 | epot = -22.3505439740507 | etot = -18.1119864138737 -402000 ekin = 2.16649391253914 | erot = 2.14799860386826 | epot = -22.2682562516522 | etot = -17.9537637352448 -403000 ekin = 2.28466204544584 | erot = 2.18910683075392 | epot = -22.2050986712121 | etot = -17.7313297950124 -404000 ekin = 2.34692059996736 | erot = 2.09828665659993 | epot = -22.153802700954 | etot = -17.7085954443867 -405000 ekin = 2.44056792098291 | erot = 1.95202235520071 | epot = -22.1290600615598 | etot = -17.7364697853762 -406000 ekin = 2.51200179837251 | erot = 1.84480550716535 | epot = -22.1228718442876 | etot = -17.7660645387497 -407000 ekin = 2.46779728542662 | erot = 1.9571557089084 | epot = -22.1207033013074 | etot = -17.6957503069724 -408000 ekin = 2.67524377663768 | erot = 2.25989223488923 | epot = -22.1391777417952 | etot = -17.2040417302683 -409000 ekin = 2.66315255700302 | erot = 2.37555491225742 | epot = -22.130319418611 | etot = -17.0916119493505 -410000 ekin = 2.65203478218391 | erot = 2.35306567100151 | epot = -22.1147712842537 | etot = -17.1096708310682 -411000 ekin = 2.66659217273954 | erot = 2.24630383870675 | epot = -22.1012745566864 | etot = -17.1883785452401 -412000 ekin = 2.71788228424459 | erot = 2.05994526098404 | epot = -22.0854752996799 | etot = -17.3076477544513 -413000 ekin = 2.91802848135381 | erot = 2.11234467836731 | epot = -22.071162406671 | etot = -17.0407892469499 -414000 ekin = 2.96559563750792 | erot = 2.00652755440291 | epot = -22.0704517319951 | etot = -17.0983285400842 -415000 ekin = 2.94033398741362 | erot = 2.15066367214138 | epot = -22.0908184253286 | etot = -16.9998207657736 -416000 ekin = 3.0130861756449 | erot = 2.30018045105556 | epot = -22.146756551793 | etot = -16.8334899250925 -417000 ekin = 2.99189829031791 | erot = 2.38541146259433 | epot = -22.2119953988621 | etot = -16.8346856459498 -418000 ekin = 2.92450258607182 | erot = 2.60659083472711 | epot = -22.2670317375585 | etot = -16.7359383167596 -419000 ekin = 3.02248435904793 | erot = 2.56863874909474 | epot = -22.3092445703346 | etot = -16.7181214621919 -420000 ekin = 3.11629989898243 | erot = 2.19357614992626 | epot = -22.352137101017 | etot = -17.0422610521083 -421000 ekin = 3.09888957739387 | erot = 2.50768144705336 | epot = -22.4424742155049 | etot = -16.8359031910576 -422000 ekin = 3.22879455450158 | erot = 2.72814664323869 | epot = -22.5663066955683 | etot = -16.609365497828 -423000 ekin = 3.30665671531863 | erot = 2.5159167760946 | epot = -22.6645305507577 | etot = -16.8419570593445 -424000 ekin = 3.37246731972729 | erot = 2.34745055602903 | epot = -22.7276426183929 | etot = -17.0077247426366 -425000 ekin = 3.43841525686886 | erot = 2.13655704811657 | epot = -22.7531787907647 | etot = -17.1782064857792 -426000 ekin = 3.39533061745577 | erot = 2.09679686908517 | epot = -22.7598072190451 | etot = -17.2676797325042 -427000 ekin = 3.39111059944182 | erot = 2.09557295936995 | epot = -22.7548111473876 | etot = -17.2681275885758 -428000 ekin = 3.31614466866163 | erot = 2.03921223078319 | epot = -22.7608817388065 | etot = -17.4055248393617 -429000 ekin = 3.32919751126102 | erot = 2.28907058183502 | epot = -22.7667239471957 | etot = -17.1484558540996 -430000 ekin = 3.209169039297 | erot = 2.24711750120356 | epot = -22.7569862329287 | etot = -17.3006996924281 -431000 ekin = 3.21784537917496 | erot = 2.11449131463102 | epot = -22.7330752234491 | etot = -17.4007385296431 -432000 ekin = 3.05825965277367 | erot = 2.12802457775881 | epot = -22.7058311036754 | etot = -17.5195468731429 -433000 ekin = 3.04999159233167 | erot = 2.12377304692499 | epot = -22.6927692042269 | etot = -17.5190045649702 -434000 ekin = 2.97281689578996 | erot = 2.06268809983415 | epot = -22.6735691335099 | etot = -17.6380641378858 -435000 ekin = 2.9408188199265 | erot = 2.27500624558159 | epot = -22.6471201429011 | etot = -17.431295077393 -436000 ekin = 2.76300260327171 | erot = 2.14872430130925 | epot = -22.6178894405037 | etot = -17.7061625359227 -437000 ekin = 2.5942981287548 | erot = 1.81211382552893 | epot = -22.5954850842172 | etot = -18.1890731299334 -438000 ekin = 2.55606503620589 | erot = 2.01798684807052 | epot = -22.5948271221483 | etot = -18.0207752378719 -439000 ekin = 2.53154376315503 | erot = 2.19299208744604 | epot = -22.6163361970743 | etot = -17.8918003464733 -440000 ekin = 2.40438990342989 | erot = 2.39730485059917 | epot = -22.6417525467575 | etot = -17.8400577927285 -441000 ekin = 2.39311316134448 | erot = 2.20887829122772 | epot = -22.6584374753818 | etot = -18.0564460228095 -442000 ekin = 2.33774628968783 | erot = 2.2792443860291 | epot = -22.6901952471933 | etot = -18.0732045714763 -443000 ekin = 2.29577071148449 | erot = 2.1368193262954 | epot = -22.7383184381275 | etot = -18.3057284003476 -444000 ekin = 2.23794629484166 | erot = 2.26441379885353 | epot = -22.7861053898433 | etot = -18.2837452961481 -445000 ekin = 2.295455262988 | erot = 2.2148355293276 | epot = -22.8258649969131 | etot = -18.3155742045975 -446000 ekin = 2.30609557124273 | erot = 2.31380080271862 | epot = -22.8648768729172 | etot = -18.2449804989559 -447000 ekin = 2.34004311197639 | erot = 2.11921527275248 | epot = -22.8964565927019 | etot = -18.437198207973 -448000 ekin = 2.31891408584105 | erot = 1.89336279102551 | epot = -22.9133862874844 | etot = -18.7011094106179 -449000 ekin = 2.50108402662094 | erot = 2.14275389718694 | epot = -22.9306330051682 | etot = -18.2867950813603 -450000 ekin = 2.56801154893259 | erot = 2.17030720110482 | epot = -22.9343126165987 | etot = -18.1959938665613 -451000 ekin = 2.56623797742055 | erot = 2.48936702406201 | epot = -22.9565813788789 | etot = -17.9009763773963 -452000 ekin = 2.58271965200722 | erot = 2.71036974079274 | epot = -22.9698927610142 | etot = -17.6768033682143 -453000 ekin = 2.57528128095344 | erot = 2.42064719168865 | epot = -22.9718770494988 | etot = -17.9759485768568 -454000 ekin = 2.67501362163764 | erot = 2.16830940597275 | epot = -22.9542828268572 | etot = -18.1109597992468 -455000 ekin = 2.56489981687939 | erot = 2.42902486734881 | epot = -22.9396963254754 | etot = -17.9457716412472 -456000 ekin = 2.70565104056165 | erot = 2.41758826939483 | epot = -22.9394278452201 | etot = -17.8161885352636 -457000 ekin = 2.67202110043049 | erot = 2.33461800850218 | epot = -22.9661541099741 | etot = -17.9595150010414 -458000 ekin = 2.80341163315565 | erot = 2.09116834812251 | epot = -22.9873787877665 | etot = -18.0927988064884 -459000 ekin = 2.88302679195822 | erot = 2.11686421326548 | epot = -22.9983193137535 | etot = -17.9984283085298 -460000 ekin = 2.80959444443693 | erot = 1.91875534890949 | epot = -22.9899489536659 | etot = -18.2615991603195 -461000 ekin = 2.74655544888572 | erot = 2.00712299964637 | epot = -22.9641927476616 | etot = -18.2105142991295 -462000 ekin = 2.69410871293393 | erot = 1.85692462055067 | epot = -22.9396822663686 | etot = -18.388648932884 -463000 ekin = 2.68405751272903 | erot = 1.72122902844388 | epot = -22.9206254454229 | etot = -18.51533890425 -464000 ekin = 2.68220436609111 | erot = 1.82183499702516 | epot = -22.9021000717157 | etot = -18.3980607085995 -465000 ekin = 2.72690747044721 | erot = 1.76672692428731 | epot = -22.883580832568 | etot = -18.3899464378335 -466000 ekin = 2.76097376291805 | erot = 1.45315546635121 | epot = -22.853232489585 | etot = -18.6391032603157 -467000 ekin = 2.70206815185864 | erot = 1.48571966445418 | epot = -22.8038556347772 | etot = -18.6160678184644 -468000 ekin = 2.54683782854452 | erot = 1.46932624584363 | epot = -22.7393489246082 | etot = -18.7231848502201 -469000 ekin = 2.57325964052953 | erot = 1.72667647792941 | epot = -22.688489550097 | etot = -18.3885534316381 -470000 ekin = 2.54097506641268 | erot = 1.3901983169653 | epot = -22.635429423222 | etot = -18.7042560398441 -471000 ekin = 2.53075144531174 | erot = 1.56973268857353 | epot = -22.5872254672433 | etot = -18.4867413333581 -472000 ekin = 2.48686143209682 | erot = 1.636086464973 | epot = -22.5386230972982 | etot = -18.4156752002283 -473000 ekin = 2.42292267545308 | erot = 1.87228271405928 | epot = -22.5112867940742 | etot = -18.2160814045618 -474000 ekin = 2.50613933288655 | erot = 2.09524169116573 | epot = -22.5009126606671 | etot = -17.8995316366149 -475000 ekin = 2.45603005290403 | erot = 1.85917779264055 | epot = -22.5137202723091 | etot = -18.1985124267645 -476000 ekin = 2.33468534022204 | erot = 2.02645602102819 | epot = -22.5553111044056 | etot = -18.1941697431554 -477000 ekin = 2.45891726578715 | erot = 2.02023615759312 | epot = -22.6158128757703 | etot = -18.13665945239 -478000 ekin = 2.41477886253639 | erot = 2.43026093865235 | epot = -22.6679361141585 | etot = -17.8228963129698 -479000 ekin = 2.32198252632123 | erot = 2.32644468281388 | epot = -22.7087553607367 | etot = -18.0603281516016 -480000 ekin = 2.3558894173607 | erot = 2.35954657100134 | epot = -22.7435251879183 | etot = -18.0280891995563 -481000 ekin = 2.28452089277901 | erot = 2.2043085242519 | epot = -22.7608284363971 | etot = -18.2719990193662 -482000 ekin = 2.32256646764215 | erot = 2.41557913055296 | epot = -22.7741831402842 | etot = -18.0360375420891 -483000 ekin = 2.27205927409901 | erot = 2.56178717087221 | epot = -22.772822499483 | etot = -17.9389760545117 -484000 ekin = 2.37993337782982 | erot = 2.66126649810807 | epot = -22.741647800889 | etot = -17.7004479249511 -485000 ekin = 2.38190748927821 | erot = 2.61854512767469 | epot = -22.711933457928 | etot = -17.7114808409751 -486000 ekin = 2.33418466506882 | erot = 2.46925253909108 | epot = -22.6824493106804 | etot = -17.8790121065205 -487000 ekin = 2.1809413341112 | erot = 2.69390883740086 | epot = -22.6720546869385 | etot = -17.7972045154264 -488000 ekin = 2.11650686044411 | erot = 2.55325406947429 | epot = -22.6638056402425 | etot = -17.9940447103241 -489000 ekin = 2.21431283780037 | erot = 2.6147077209327 | epot = -22.6573831222825 | etot = -17.8283625635494 -490000 ekin = 2.2177697789255 | erot = 2.2350033945615 | epot = -22.5741440270906 | etot = -18.1213708536035 -491000 ekin = 2.27432682857327 | erot = 1.88817054321459 | epot = -22.4373592688798 | etot = -18.2748618970919 -492000 ekin = 2.53138272091265 | erot = 1.96744277498782 | epot = -22.4175140127836 | etot = -17.9186885168831 -493000 ekin = 2.71682060136876 | erot = 2.08719543513572 | epot = -22.5173229601058 | etot = -17.7133069236013 -494000 ekin = 2.79234310962876 | erot = 1.83822122501528 | epot = -22.5447051999101 | etot = -17.9141408652661 -495000 ekin = 2.76785459319889 | erot = 1.73774545925603 | epot = -22.5287157975834 | etot = -18.0231157451285 -496000 ekin = 2.84739375420042 | erot = 1.56846128670017 | epot = -22.5241542479137 | etot = -18.1082992070132 -497000 ekin = 2.69680214844414 | erot = 1.74348040544617 | epot = -22.5144404613581 | etot = -18.0741579074678 -498000 ekin = 2.62941704239954 | erot = 1.98455622913416 | epot = -22.5178632839582 | etot = -17.9038900124245 -499000 ekin = 2.64804818916994 | erot = 2.28765209546422 | epot = -22.5255155919976 | etot = -17.5898153073635 -500000 ekin = 2.62333387127764 | erot = 2.24107414888827 | epot = -22.5402092035982 | etot = -17.6758011834323 -501000 ekin = 2.58728609470087 | erot = 2.55153168646072 | epot = -22.5581971333473 | etot = -17.4193793521857 -502000 ekin = 2.5743852966721 | erot = 2.59775936587112 | epot = -22.5744776891821 | etot = -17.4023330266389 -503000 ekin = 2.68620055951998 | erot = 2.57830069566431 | epot = -22.5848671752325 | etot = -17.3203659200482 -504000 ekin = 2.70861631349698 | erot = 2.63136597642943 | epot = -22.5422463026807 | etot = -17.2022640127542 -505000 ekin = 2.81322601719043 | erot = 2.35620405508435 | epot = -22.4713277487551 | etot = -17.3018976764803 -506000 ekin = 2.75875978790565 | erot = 2.28114200273201 | epot = -22.4152453500929 | etot = -17.3753435594552 -507000 ekin = 2.76795437715418 | erot = 2.08516805530088 | epot = -22.3599249092895 | etot = -17.5068024768344 -508000 ekin = 2.73683686247786 | erot = 2.23436615836139 | epot = -22.3104902501593 | etot = -17.33928722932 -509000 ekin = 2.78730220151829 | erot = 2.42925226467484 | epot = -22.2669837867326 | etot = -17.0504293205394 -510000 ekin = 2.70408252089224 | erot = 2.30581628327708 | epot = -22.2411716050791 | etot = -17.2312728009098 -511000 ekin = 2.61818706333857 | erot = 2.32198772005121 | epot = -22.2054755882156 | etot = -17.2653008048258 -512000 ekin = 2.62666567898698 | erot = 2.16861742931861 | epot = -22.1496493249523 | etot = -17.3543662166467 -513000 ekin = 2.62864579756442 | erot = 2.28017839888756 | epot = -22.0962074035279 | etot = -17.1873832070759 -514000 ekin = 2.62144790591354 | erot = 2.41032584829371 | epot = -22.0606978370585 | etot = -17.0289240828512 -515000 ekin = 2.41822665966335 | erot = 2.52539385006896 | epot = -22.0307261613949 | etot = -17.0871056516626 -516000 ekin = 2.50897552241959 | erot = 2.78752662759865 | epot = -21.9672371157166 | etot = -16.6707349656983 -517000 ekin = 2.49803351393466 | erot = 2.61327470143909 | epot = -21.8908910019266 | etot = -16.7795827865529 -518000 ekin = 2.40588427132944 | erot = 2.60496520247845 | epot = -21.8271402944048 | etot = -16.8162908205969 -519000 ekin = 2.30783192859357 | erot = 2.28376487382975 | epot = -21.7720265250264 | etot = -17.1804297226031 -520000 ekin = 2.27616423058181 | erot = 2.29434994860391 | epot = -21.7128184146398 | etot = -17.1423042354541 -521000 ekin = 2.24914668110671 | erot = 2.36897117879078 | epot = -21.6721321359535 | etot = -17.054014276056 -522000 ekin = 2.35364771784224 | erot = 2.36695097688788 | epot = -21.6628523798143 | etot = -16.9422536850842 -523000 ekin = 2.37618272265835 | erot = 2.13303138965068 | epot = -21.7051372318525 | etot = -17.1959231195435 -524000 ekin = 2.49723384027372 | erot = 2.24023872654157 | epot = -21.782377913726 | etot = -17.0449053469107 -525000 ekin = 2.4637574766049 | erot = 2.51521139084652 | epot = -21.8666578962014 | etot = -16.88768902875 -526000 ekin = 2.48852380798105 | erot = 2.58777847976823 | epot = -21.9290082944792 | etot = -16.85270600673 -527000 ekin = 2.56408998824219 | erot = 2.71602192536814 | epot = -21.9877682670141 | etot = -16.7076563534038 -528000 ekin = 2.56498509318797 | erot = 2.76910231594647 | epot = -22.0494190498079 | etot = -16.7153316406735 -529000 ekin = 2.49392950866822 | erot = 2.90081498188849 | epot = -22.095325939266 | etot = -16.7005814487092 -530000 ekin = 2.55943772908038 | erot = 3.45143762749468 | epot = -22.1238951653052 | etot = -16.1130198087301 -531000 ekin = 2.62008230330608 | erot = 3.41029569339047 | epot = -22.1596065217836 | etot = -16.1292285250871 -532000 ekin = 2.64345831357267 | erot = 3.25189148347886 | epot = -22.2210179597455 | etot = -16.325668162694 -533000 ekin = 2.66248857759375 | erot = 3.12130181040693 | epot = -22.2938545042492 | etot = -16.5100641162486 -534000 ekin = 2.57837832781882 | erot = 3.40672270429772 | epot = -22.3945209938967 | etot = -16.4094199617802 -535000 ekin = 2.54988429096274 | erot = 3.48601096999938 | epot = -22.4965663420718 | etot = -16.4606710811097 -536000 ekin = 2.54332535815071 | erot = 3.38741257391198 | epot = -22.5966447962839 | etot = -16.6659068642212 -537000 ekin = 2.51621672082876 | erot = 3.4954128648589 | epot = -22.722166058481 | etot = -16.7105364727933 -538000 ekin = 2.55164682489471 | erot = 3.74760630845821 | epot = -22.8591125937163 | etot = -16.5598594603634 -539000 ekin = 2.58092295425579 | erot = 3.80698168734289 | epot = -22.9765606947831 | etot = -16.5886560531845 -540000 ekin = 2.51008871731604 | erot = 3.80582456583089 | epot = -22.9798947810023 | etot = -16.6639814978554 -541000 ekin = 2.46719015763968 | erot = 3.50395862401684 | epot = -22.8431087269563 | etot = -16.8719599452998 -542000 ekin = 2.59107475639089 | erot = 3.1706666262415 | epot = -22.8744258545954 | etot = -17.112684471963 -543000 ekin = 2.6362020136149 | erot = 3.06589292292655 | epot = -23.0791931656973 | etot = -17.3770982291558 -544000 ekin = 2.76243033839971 | erot = 2.75752131636956 | epot = -23.190283999358 | etot = -17.6703323445887 -545000 ekin = 2.77751893807151 | erot = 2.90000680655544 | epot = -23.2046062023304 | etot = -17.5270804577034 -546000 ekin = 2.78059502363043 | erot = 2.54289051406663 | epot = -23.2005103103105 | etot = -17.8770247726134 -547000 ekin = 2.81545617905213 | erot = 2.47192481242818 | epot = -23.17185559686 | etot = -17.8844746053797 -548000 ekin = 2.79144209452777 | erot = 2.80250244565799 | epot = -23.1234791781376 | etot = -17.5295346379519 -549000 ekin = 2.75373348946697 | erot = 2.71813060504091 | epot = -23.0602788235302 | etot = -17.5884147290223 -550000 ekin = 2.68546541277406 | erot = 2.77855841780881 | epot = -22.9807527132682 | etot = -17.5167288826854 -551000 ekin = 2.63458963816006 | erot = 2.84363646369278 | epot = -22.8852605151349 | etot = -17.4070344132821 -552000 ekin = 2.65549146174165 | erot = 2.88006578689775 | epot = -22.7742141173518 | etot = -17.2386568687124 -553000 ekin = 2.61257263960416 | erot = 2.50580069544593 | epot = -22.6366728838901 | etot = -17.51829954884 -554000 ekin = 2.55042887500008 | erot = 2.45156308445395 | epot = -22.5169799021635 | etot = -17.5149879427094 -555000 ekin = 2.48771740920183 | erot = 2.41959978358368 | epot = -22.4015661830959 | etot = -17.4942489903104 -556000 ekin = 2.43741510652896 | erot = 2.45751361710346 | epot = -22.2928810834869 | etot = -17.3979523598545 -557000 ekin = 2.35602361024325 | erot = 2.35108817931548 | epot = -22.2068336513711 | etot = -17.4997218618124 -558000 ekin = 2.29845334881475 | erot = 2.47944197593299 | epot = -22.1269301143065 | etot = -17.3490347895588 -559000 ekin = 2.30547484128377 | erot = 2.43861674436455 | epot = -22.0431486095149 | etot = -17.2990570238666 -560000 ekin = 2.2773591477684 | erot = 2.22067768733761 | epot = -21.9730451699076 | etot = -17.4750083348016 -561000 ekin = 2.29286875562459 | erot = 2.1199168453984 | epot = -21.9034779049411 | etot = -17.4906923039181 -562000 ekin = 2.19274483675777 | erot = 2.46930771586789 | epot = -21.889396099988 | etot = -17.2273435473624 -563000 ekin = 2.2550795500483 | erot = 2.41065657987129 | epot = -21.9034392529017 | etot = -17.2377031229821 -564000 ekin = 2.40459323350315 | erot = 2.24328259671741 | epot = -21.940420807587 | etot = -17.2925449773665 -565000 ekin = 2.45683133378084 | erot = 2.27185510495033 | epot = -22.0074255927214 | etot = -17.2787391539902 -566000 ekin = 2.40141767311485 | erot = 2.21041354599854 | epot = -22.0735209036132 | etot = -17.4616896844998 -567000 ekin = 2.4457477053 | erot = 2.11328940794156 | epot = -22.1387930635642 | etot = -17.5797559503226 -568000 ekin = 2.4257005007209 | erot = 2.18749548652436 | epot = -22.1800917698727 | etot = -17.5668957826274 -569000 ekin = 2.41454722540358 | erot = 2.10107949642207 | epot = -22.2121048457969 | etot = -17.6964781239712 -570000 ekin = 2.2989763814646 | erot = 2.04752727974979 | epot = -22.2369346580048 | etot = -17.8904309967904 -571000 ekin = 2.37657622585406 | erot = 2.05748511989243 | epot = -22.2528258700713 | etot = -17.8187645243249 -572000 ekin = 2.31682251679288 | erot = 2.58991099215535 | epot = -22.2496997094434 | etot = -17.3429662004952 -573000 ekin = 2.30400671606327 | erot = 2.31011895599926 | epot = -22.2262777020444 | etot = -17.6121520299819 -574000 ekin = 2.22032912036986 | erot = 2.34605820626857 | epot = -22.1986731397126 | etot = -17.6322858130742 -575000 ekin = 2.32899896279976 | erot = 2.14115178550432 | epot = -22.1599463152595 | etot = -17.6897955669554 -576000 ekin = 2.39677965647583 | erot = 2.16319777458978 | epot = -22.1106499071578 | etot = -17.5506724760922 -577000 ekin = 2.3416506735784 | erot = 1.93700136472036 | epot = -22.0653568060899 | etot = -17.7867047677912 -578000 ekin = 2.16459341404815 | erot = 1.94455021171708 | epot = -22.0220297065976 | etot = -17.9128860808323 -579000 ekin = 2.10243284337438 | erot = 1.93292394186433 | epot = -21.9718679160589 | etot = -17.9365111308202 -580000 ekin = 1.99604497344192 | erot = 1.95521625056195 | epot = -21.9148231396272 | etot = -17.9635619156234 -581000 ekin = 1.96384176915027 | erot = 1.99100077453193 | epot = -21.8663464602613 | etot = -17.9115039165791 -582000 ekin = 1.86034078875963 | erot = 1.90507522813592 | epot = -21.8442116641844 | etot = -18.0787956472888 -583000 ekin = 1.71909602928123 | erot = 1.97209600265412 | epot = -21.8622366159148 | etot = -18.1710445839794 -584000 ekin = 1.70364742117104 | erot = 1.8409043836361 | epot = -21.9097350864251 | etot = -18.365183281618 -585000 ekin = 1.74431579790209 | erot = 2.03905704940611 | epot = -21.9890373916311 | etot = -18.2056645443229 -586000 ekin = 1.73466674324847 | erot = 1.83902306942852 | epot = -22.0843760980402 | etot = -18.5106862853632 -587000 ekin = 1.69495214035966 | erot = 2.05654584168955 | epot = -22.1748305300913 | etot = -18.4233325480421 -588000 ekin = 1.81991084277843 | erot = 2.03271452479358 | epot = -22.2619123801789 | etot = -18.4092870126069 -589000 ekin = 1.75774114592667 | erot = 2.09107160464917 | epot = -22.3245174454579 | etot = -18.475704694882 -590000 ekin = 1.72192880825666 | erot = 2.02708321623591 | epot = -22.3712739626592 | etot = -18.6222619381666 -591000 ekin = 1.76801497004168 | erot = 2.19934356351447 | epot = -22.4026553786929 | etot = -18.4352968451368 -592000 ekin = 1.73818904167478 | erot = 2.31753844822586 | epot = -22.4297727542858 | etot = -18.3740452643852 -593000 ekin = 1.74423680346885 | erot = 2.35378967969654 | epot = -22.43093631708 | etot = -18.3329098339146 -594000 ekin = 1.74360225576643 | erot = 1.98671317855341 | epot = -22.3849580162794 | etot = -18.6546425819596 -595000 ekin = 1.82597622479122 | erot = 2.13309374747926 | epot = -22.390309310767 | etot = -18.4312393384965 -596000 ekin = 1.88347190280875 | erot = 2.21700247043638 | epot = -22.4390117320808 | etot = -18.3385373588356 -597000 ekin = 1.85682865820151 | erot = 2.22335853873382 | epot = -22.4665965332847 | etot = -18.3864093363494 -598000 ekin = 1.90006820905243 | erot = 2.42053542571024 | epot = -22.4694279641808 | etot = -18.1488243294181 -599000 ekin = 1.90071729874354 | erot = 2.59878396537104 | epot = -22.4910623963926 | etot = -17.991561132278 -600000 ekin = 1.9775296369167 | erot = 2.72441502124518 | epot = -22.5477576362776 | etot = -17.8458129781158 -601000 ekin = 1.85698550625183 | erot = 2.88505630055951 | epot = -22.601413276632 | etot = -17.8593714698207 -602000 ekin = 1.85670612852394 | erot = 2.99246755772118 | epot = -22.6585474549208 | etot = -17.8093737686757 -603000 ekin = 1.86635938777731 | erot = 2.79466925677628 | epot = -22.7047123446179 | etot = -18.0436837000643 -604000 ekin = 1.85627372221488 | erot = 2.9645426732677 | epot = -22.7247435540802 | etot = -17.9039271585976 -605000 ekin = 1.90713526215439 | erot = 2.83334095597271 | epot = -22.7033988480802 | etot = -17.9629226299531 -606000 ekin = 1.97855456734149 | erot = 2.44168814330719 | epot = -22.6272048618403 | etot = -18.2069621511916 -607000 ekin = 2.01266482611072 | erot = 2.45716329068721 | epot = -22.5070850149334 | etot = -18.0372568981355 -608000 ekin = 2.12878560429552 | erot = 2.31425337484015 | epot = -22.3497088958722 | etot = -17.9066699167365 -609000 ekin = 2.06312041868314 | erot = 2.11817811077725 | epot = -22.1990535325683 | etot = -18.0177550031079 -610000 ekin = 2.16915995218538 | erot = 2.15710310478954 | epot = -22.0738713202685 | etot = -17.7476082632936 -611000 ekin = 2.2479062777386 | erot = 2.44524506443959 | epot = -21.9773927987228 | etot = -17.2842414565446 -612000 ekin = 2.33407663304696 | erot = 2.43880885419916 | epot = -21.9158194120391 | etot = -17.142933924793 -613000 ekin = 2.48627136554596 | erot = 2.04564905753185 | epot = -21.9014181358314 | etot = -17.3694977127536 -614000 ekin = 2.63092379207175 | erot = 1.78137353630872 | epot = -21.9268892251558 | etot = -17.5145918967753 -615000 ekin = 2.76847753887659 | erot = 1.747045066359 | epot = -22.0144396036922 | etot = -17.4989169984566 -616000 ekin = 2.91908707455727 | erot = 1.78290613271662 | epot = -22.118601225114 | etot = -17.4166080178401 -617000 ekin = 3.15203249393301 | erot = 1.78303328673775 | epot = -22.2256012419585 | etot = -17.2905354612877 -618000 ekin = 3.31119378517932 | erot = 1.96412968205628 | epot = -22.3133840086656 | etot = -17.03806054143 -619000 ekin = 3.47590250528844 | erot = 1.76611683746786 | epot = -22.3772219575797 | etot = -17.1352026148234 -620000 ekin = 3.48874988045416 | erot = 1.89528011242379 | epot = -22.4384551139399 | etot = -17.0544251210619 -621000 ekin = 3.61622461981386 | erot = 1.99344049296392 | epot = -22.4893103152157 | etot = -16.8796452024379 -622000 ekin = 3.58399773461898 | erot = 1.74513664213442 | epot = -22.4803416552216 | etot = -17.1512072784682 -623000 ekin = 3.63032006314562 | erot = 1.71430163919961 | epot = -22.4430926293461 | etot = -17.0984709270009 -624000 ekin = 3.65855713197035 | erot = 1.69922484729333 | epot = -22.3868122910147 | etot = -17.029030311751 -625000 ekin = 3.60887827930819 | erot = 1.53990637330185 | epot = -22.3164178534658 | etot = -17.1676332008557 -626000 ekin = 3.52660460237184 | erot = 1.50586548866506 | epot = -22.2442897351173 | etot = -17.2118196440804 -627000 ekin = 3.5034371177018 | erot = 1.65554299653922 | epot = -22.1699228898754 | etot = -17.0109427756344 -628000 ekin = 3.39027059126343 | erot = 1.75167273235764 | epot = -22.088238530203 | etot = -16.9462952065819 -629000 ekin = 3.2398815091692 | erot = 1.71907571962451 | epot = -21.9985657464089 | etot = -17.0396085176152 -630000 ekin = 3.19313977959947 | erot = 1.92181644528361 | epot = -21.9264321634454 | etot = -16.8114759385624 -631000 ekin = 3.16387923134673 | erot = 1.95916493180212 | epot = -21.8395694883599 | etot = -16.7165253252111 -632000 ekin = 3.1485947140351 | erot = 1.97621264135334 | epot = -21.7846629506647 | etot = -16.6598555952762 -633000 ekin = 3.21562845702805 | erot = 2.00714201834292 | epot = -21.7459219259819 | etot = -16.523151450611 -634000 ekin = 3.18996985450964 | erot = 2.012013115691 | epot = -21.7056771658785 | etot = -16.5036941956778 -635000 ekin = 3.09651235720973 | erot = 1.73602275759664 | epot = -21.6544424588023 | etot = -16.821907343996 -636000 ekin = 2.92860815614997 | erot = 1.85589302961915 | epot = -21.6235143680234 | etot = -16.8390131822543 -637000 ekin = 2.91450492940613 | erot = 1.98660531398783 | epot = -21.6191336665839 | etot = -16.71802342319 -638000 ekin = 2.98864643224901 | erot = 2.52300956640108 | epot = -21.6153555894524 | etot = -16.1036995908023 -639000 ekin = 2.82285402890248 | erot = 2.58031703406066 | epot = -21.5893617816822 | etot = -16.1861907187191 -640000 ekin = 2.87726879521912 | erot = 2.7163927085115 | epot = -21.5512867369313 | etot = -15.9576252332007 -641000 ekin = 2.95903007169266 | erot = 2.43559640758648 | epot = -21.5137572402012 | etot = -16.119130760922 -642000 ekin = 2.96204133827632 | erot = 2.5007390891145 | epot = -21.4303396745979 | etot = -15.9675592472071 -643000 ekin = 2.95135321760987 | erot = 2.18430881955823 | epot = -21.3830067810411 | etot = -16.247344743873 -644000 ekin = 2.89461472263122 | erot = 2.24797742659958 | epot = -21.3844502347312 | etot = -16.2418580855004 -645000 ekin = 2.95435208333517 | erot = 2.48214942109185 | epot = -21.3637410798344 | etot = -15.9272395754073 -646000 ekin = 2.90556723575754 | erot = 2.30743635404398 | epot = -21.3137753959635 | etot = -16.100771806162 -647000 ekin = 2.90760512758873 | erot = 2.34216740244848 | epot = -21.2632699171358 | etot = -16.0134973870986 -648000 ekin = 2.85798779133743 | erot = 2.18813680751415 | epot = -21.2316650481513 | etot = -16.1855404492997 -649000 ekin = 2.80110553006876 | erot = 1.9978930926835 | epot = -21.2271459685493 | etot = -16.4281473457971 -650000 ekin = 2.78705126936001 | erot = 2.05433186051914 | epot = -21.2258730978758 | etot = -16.3844899679966 -651000 ekin = 2.82981122207192 | erot = 2.24476751487047 | epot = -21.2549338926241 | etot = -16.1803551556817 -652000 ekin = 2.81187017826329 | erot = 2.46541600128351 | epot = -21.3104029656995 | etot = -16.0331167861527 -653000 ekin = 2.97461611593798 | erot = 2.32074630167006 | epot = -21.3681399998169 | etot = -16.0727775822089 -654000 ekin = 2.88164611559735 | erot = 2.38213902831396 | epot = -21.398131859391 | etot = -16.1343467154797 -655000 ekin = 2.94913378760835 | erot = 2.34812868784279 | epot = -21.4113698116753 | etot = -16.1141073362242 -656000 ekin = 2.89233729062061 | erot = 2.39374651226465 | epot = -21.4288546902071 | etot = -16.1427708873218 -657000 ekin = 2.77598738951928 | erot = 2.49755521549778 | epot = -21.4449504691839 | etot = -16.1714078641668 -658000 ekin = 2.77740080353724 | erot = 2.62230590128047 | epot = -21.4463092301612 | etot = -16.0466025253435 -659000 ekin = 2.65259875229227 | erot = 2.75527600584006 | epot = -21.4247610675881 | etot = -16.0168863094557 -660000 ekin = 2.56686955703644 | erot = 2.6203757628529 | epot = -21.398256132964 | etot = -16.2110108130746 -661000 ekin = 2.65054440121176 | erot = 2.62707264418951 | epot = -21.3903690458669 | etot = -16.1127520004656 -662000 ekin = 2.57957249167055 | erot = 2.57121547805659 | epot = -21.3759360832757 | etot = -16.2251481135485 -663000 ekin = 2.48664501783153 | erot = 2.38657187242632 | epot = -21.393438567821 | etot = -16.5202216775632 -664000 ekin = 2.5164577766111 | erot = 2.20401035947354 | epot = -21.4329380039057 | etot = -16.7124698678211 -665000 ekin = 2.44076978766911 | erot = 2.41816703577515 | epot = -21.4520134506819 | etot = -16.5930766272377 -666000 ekin = 2.35012835368459 | erot = 2.6049661600097 | epot = -21.4686085435909 | etot = -16.5135140298966 -667000 ekin = 2.32189657004522 | erot = 2.57250144791985 | epot = -21.4939818560077 | etot = -16.5995838380426 -668000 ekin = 2.36116261151341 | erot = 2.4186050787805 | epot = -21.5056838331986 | etot = -16.7259161429046 -669000 ekin = 2.31387988694876 | erot = 2.33668050703784 | epot = -21.5343548142369 | etot = -16.8837944202503 -670000 ekin = 2.39198713502033 | erot = 2.44748109573426 | epot = -21.5481637926254 | etot = -16.7086955618709 -671000 ekin = 2.4156803978936 | erot = 2.60129732112631 | epot = -21.6059621481886 | etot = -16.5889844291687 -672000 ekin = 2.5596138312128 | erot = 2.5516494198216 | epot = -21.7089264495899 | etot = -16.5976631985555 -673000 ekin = 2.60207943153894 | erot = 2.89040304008822 | epot = -21.8182919408405 | etot = -16.3258094692134 -674000 ekin = 2.7364856973748 | erot = 2.8185501663043 | epot = -21.9222017117615 | etot = -16.3671658480824 -675000 ekin = 2.91114076539504 | erot = 2.36500632401751 | epot = -22.0018822691681 | etot = -16.7257351797556 -676000 ekin = 2.93341061527256 | erot = 2.28532481615684 | epot = -22.0731286226862 | etot = -16.8543931912568 -677000 ekin = 3.01470682908092 | erot = 2.22858273949068 | epot = -22.1284745680575 | etot = -16.8851849994859 -678000 ekin = 3.14497803943646 | erot = 1.93068246054169 | epot = -22.1456906590923 | etot = -17.0700301591141 -679000 ekin = 3.29461438438603 | erot = 2.10760912118867 | epot = -22.136180621795 | etot = -16.7339571162203 -680000 ekin = 3.37176530279823 | erot = 2.01104009704006 | epot = -22.1041151314318 | etot = -16.7213097315935 -681000 ekin = 3.45483484720644 | erot = 1.90067457792177 | epot = -22.0463762684202 | etot = -16.690866843292 -682000 ekin = 3.37894348708854 | erot = 1.72137005878507 | epot = -21.9505620370442 | etot = -16.8502484911706 -683000 ekin = 3.42286368355835 | erot = 1.85126780834271 | epot = -21.8191972813592 | etot = -16.5450657894581 -684000 ekin = 3.36291962928525 | erot = 1.78272354471438 | epot = -21.6428884495561 | etot = -16.4972452755565 -685000 ekin = 3.36082871274671 | erot = 1.56476357384112 | epot = -21.4554201037061 | etot = -16.5298278171182 -686000 ekin = 3.29456600954367 | erot = 1.4526614688562 | epot = -21.2708420183486 | etot = -16.5236145399487 -687000 ekin = 3.28683183665721 | erot = 1.05147246964411 | epot = -21.0945257475368 | etot = -16.7562214412355 -688000 ekin = 3.12005734691895 | erot = 1.15864732674183 | epot = -20.9292915494191 | etot = -16.6505868757583 -689000 ekin = 2.98255457232255 | erot = 1.23350933506074 | epot = -20.7891561678794 | etot = -16.5730922604961 -690000 ekin = 2.88677394533053 | erot = 1.14959548133381 | epot = -20.6827307127442 | etot = -16.6463612860799 -691000 ekin = 2.85231691921442 | erot = 1.34938947635194 | epot = -20.6187495888218 | etot = -16.4170431932554 -692000 ekin = 2.8239953629433 | erot = 1.61591108279267 | epot = -20.5825839292405 | etot = -16.1426774835045 -693000 ekin = 2.78364237672009 | erot = 1.75822822075907 | epot = -20.5907390731059 | etot = -16.0488684756267 -694000 ekin = 2.73371563485523 | erot = 2.08537526939357 | epot = -20.6328696988297 | etot = -15.8137787945809 -695000 ekin = 2.57124739242717 | erot = 2.14630522202631 | epot = -20.6823542908161 | etot = -15.9648016763626 -696000 ekin = 2.51399296937018 | erot = 2.55867118356007 | epot = -20.7367847556426 | etot = -15.6641206027124 -697000 ekin = 2.50454809499975 | erot = 2.50215716077685 | epot = -20.7898428219569 | etot = -15.7831375661803 -698000 ekin = 2.36358142640515 | erot = 2.63892421049651 | epot = -20.814814737848 | etot = -15.8123091009464 -699000 ekin = 2.3119934072466 | erot = 2.68625065707116 | epot = -20.7956836949871 | etot = -15.7974396306693 -700000 ekin = 2.14616834772929 | erot = 2.12698342038349 | epot = -20.7725738213787 | etot = -16.4994220532659 -701000 ekin = 2.15539690119101 | erot = 2.17922309078409 | epot = -20.7552775762039 | etot = -16.4206575842288 -702000 ekin = 2.10080573596304 | erot = 2.11876313824385 | epot = -20.737552181646 | etot = -16.5179833074391 -703000 ekin = 2.11218006165615 | erot = 2.10588532277649 | epot = -20.7475858269112 | etot = -16.5295204424786 -704000 ekin = 2.12315820389575 | erot = 2.10220748203614 | epot = -20.757299853276 | etot = -16.5319341673441 -705000 ekin = 2.15166233402754 | erot = 2.14022995734117 | epot = -20.7941736502218 | etot = -16.5022813588531 -706000 ekin = 2.15163098226746 | erot = 2.26908854153834 | epot = -20.8512276988327 | etot = -16.430508175027 -707000 ekin = 2.15471286696278 | erot = 2.52657902495319 | epot = -20.9520579644167 | etot = -16.2707660725007 -708000 ekin = 2.17467467531748 | erot = 2.49469457222098 | epot = -21.0502066736915 | etot = -16.3808374261531 -709000 ekin = 2.25270875429065 | erot = 2.67362934165225 | epot = -21.1795445148272 | etot = -16.2532064188843 -710000 ekin = 2.19946540304423 | erot = 2.99965152220139 | epot = -21.3025369771195 | etot = -16.1034200518739 -711000 ekin = 2.25060849346072 | erot = 2.6945596185851 | epot = -21.3800741765592 | etot = -16.4349060645134 -712000 ekin = 2.31009709048309 | erot = 2.56904053029372 | epot = -21.4438411099721 | etot = -16.5647034891953 -713000 ekin = 2.34856712569142 | erot = 2.67010815786076 | epot = -21.4921710147997 | etot = -16.4734957312475 -714000 ekin = 2.46551783464037 | erot = 2.47127151678304 | epot = -21.4976914761194 | etot = -16.5609021246959 -715000 ekin = 2.51889281585643 | erot = 2.3942213472493 | epot = -21.4732726012164 | etot = -16.5601584381107 -716000 ekin = 2.57715724769554 | erot = 2.54742070298212 | epot = -21.4493966986361 | etot = -16.3248187479584 -717000 ekin = 2.65149378986134 | erot = 2.37788349879553 | epot = -21.4573082004001 | etot = -16.4279309117432 -718000 ekin = 2.69352880755697 | erot = 2.62278633313092 | epot = -21.4974593554869 | etot = -16.181144214799 -719000 ekin = 2.80177184525137 | erot = 2.54312012627449 | epot = -21.5233281256748 | etot = -16.178436154149 -720000 ekin = 2.69854861926931 | erot = 2.43897381701018 | epot = -21.5590218912255 | etot = -16.421499454946 -721000 ekin = 2.67018557216469 | erot = 2.50608214081759 | epot = -21.6315812717051 | etot = -16.4553135587228 -722000 ekin = 2.65282106714843 | erot = 2.66679722018778 | epot = -21.7056377642899 | etot = -16.3860194769537 -723000 ekin = 2.65361827521915 | erot = 2.97622205975865 | epot = -21.7797776559554 | etot = -16.1499373209776 -724000 ekin = 2.60569769803766 | erot = 2.76020150079788 | epot = -21.8376307834359 | etot = -16.4717315846004 -725000 ekin = 2.63127869433962 | erot = 2.69399118898667 | epot = -21.8984299962585 | etot = -16.5731601129322 -726000 ekin = 2.72545330440262 | erot = 2.64253926181369 | epot = -21.9407919115086 | etot = -16.5727993452923 -727000 ekin = 2.65040284294011 | erot = 2.78538015556012 | epot = -21.9637938172391 | etot = -16.5280108187389 -728000 ekin = 2.48179003902746 | erot = 2.97450520962362 | epot = -21.9479581531599 | etot = -16.4916629045088 -729000 ekin = 2.52972405397302 | erot = 2.9021249673657 | epot = -21.9040262067784 | etot = -16.4721771854397 -730000 ekin = 2.53115260905489 | erot = 2.84472555705245 | epot = -21.8740439587388 | etot = -16.4981657926314 -731000 ekin = 2.54145691681998 | erot = 2.59870522769011 | epot = -21.8660177522137 | etot = -16.7258556077036 -732000 ekin = 2.53248561362187 | erot = 2.72510944305618 | epot = -21.8573992551135 | etot = -16.5998041984355 -733000 ekin = 2.62625070581089 | erot = 2.51680047965277 | epot = -21.8396073656003 | etot = -16.6965561801366 -734000 ekin = 2.64998616374819 | erot = 2.7284569210359 | epot = -21.8405294812888 | etot = -16.4620863965047 -735000 ekin = 2.69306207166523 | erot = 3.07169199347549 | epot = -21.8204798153913 | etot = -16.0557257502506 -736000 ekin = 2.72260351822599 | erot = 2.73658566507879 | epot = -21.8062871121359 | etot = -16.3470979288311 -737000 ekin = 2.7587059894237 | erot = 2.61625561790474 | epot = -21.7997278882048 | etot = -16.4247662808763 -738000 ekin = 2.9718371126315 | erot = 2.24889762319009 | epot = -21.815880148502 | etot = -16.5951454126805 -739000 ekin = 3.05953080590062 | erot = 2.0925516015282 | epot = -21.860369608401 | etot = -16.7082872009721 -740000 ekin = 3.27063059251506 | erot = 2.33629691806438 | epot = -21.928358182454 | etot = -16.3214306718745 -741000 ekin = 3.35389594882473 | erot = 2.3177523792099 | epot = -21.990534815749 | etot = -16.3188864877144 -742000 ekin = 3.37765257218279 | erot = 2.24621136389772 | epot = -22.0551085268026 | etot = -16.4312445907221 -743000 ekin = 3.34761803886807 | erot = 2.11604292737055 | epot = -22.1501165805121 | etot = -16.6864556142735 -744000 ekin = 3.45014316044981 | erot = 2.26283739801091 | epot = -22.2301851995846 | etot = -16.5172046411239 -745000 ekin = 3.50577437774322 | erot = 2.18082158773838 | epot = -22.2958892423641 | etot = -16.6092932768825 -746000 ekin = 3.62379564063212 | erot = 2.29172371220084 | epot = -22.3504185189715 | etot = -16.4348991661385 -747000 ekin = 3.66042054955228 | erot = 2.20475025047744 | epot = -22.3851646701862 | etot = -16.5199938701565 -748000 ekin = 3.5097454014349 | erot = 2.406502625722 | epot = -22.4178592321322 | etot = -16.5016112049753 -749000 ekin = 3.56386965172274 | erot = 2.05758013521606 | epot = -22.4625938818873 | etot = -16.8411440949485 -750000 ekin = 3.49499037119352 | erot = 2.1170532032316 | epot = -22.5182146312758 | etot = -16.9061710568507 -751000 ekin = 3.52059041081486 | erot = 2.1645623466796 | epot = -22.570867136707 | etot = -16.8857143792125 -752000 ekin = 3.52922989091539 | erot = 2.13328496260282 | epot = -22.6142453819195 | etot = -16.9517305284013 -753000 ekin = 3.54450333705355 | erot = 1.90175527543433 | epot = -22.6772611743025 | etot = -17.2310025618146 -754000 ekin = 3.45153480837739 | erot = 1.87218797413988 | epot = -22.7422768873044 | etot = -17.4185541047872 -755000 ekin = 3.40998140310187 | erot = 1.79765011978447 | epot = -22.7840720762432 | etot = -17.5764405533568 -756000 ekin = 3.34055243015618 | erot = 1.98893101943512 | epot = -22.8015249198687 | etot = -17.4720414702774 -757000 ekin = 3.25995163881785 | erot = 2.23144065289712 | epot = -22.817973605037 | etot = -17.326581313322 -758000 ekin = 3.16254182007881 | erot = 2.33708167519886 | epot = -22.7968151839726 | etot = -17.2971916886949 -759000 ekin = 3.08959154816294 | erot = 2.90979409874057 | epot = -22.711924149132 | etot = -16.7125385022285 -760000 ekin = 3.12610940125223 | erot = 2.7438695705545 | epot = -22.5354298293442 | etot = -16.6654508575375 -761000 ekin = 3.01773123261609 | erot = 2.54441842482903 | epot = -22.287824947537 | etot = -16.7256752900918 -762000 ekin = 2.78676830407932 | erot = 2.45851569402079 | epot = -22.0050811851124 | etot = -16.7597971870123 -763000 ekin = 2.66585974802302 | erot = 2.362311357248 | epot = -21.722043030106 | etot = -16.693871924835 -764000 ekin = 2.45269004589485 | erot = 2.21799353566102 | epot = -21.4437328772763 | etot = -16.7730492957204 -765000 ekin = 2.33602063980822 | erot = 2.18630884760143 | epot = -21.2172136821333 | etot = -16.6948841947237 -766000 ekin = 2.29166126734383 | erot = 2.30483974019187 | epot = -21.0282994393447 | etot = -16.431798431809 -767000 ekin = 2.19131441806702 | erot = 2.03557115351125 | epot = -20.8759897944564 | etot = -16.6491042228781 -768000 ekin = 2.07724554805813 | erot = 2.24966311077066 | epot = -20.7557602191218 | etot = -16.4288515602931 -769000 ekin = 2.05775411195588 | erot = 2.4254243464562 | epot = -20.6955218025018 | etot = -16.2123433440898 -770000 ekin = 2.00758682747633 | erot = 2.45906745907278 | epot = -20.6929044608197 | etot = -16.2262501742706 -771000 ekin = 1.98409315586994 | erot = 2.48472564199802 | epot = -20.7734270007259 | etot = -16.3046082028579 -772000 ekin = 1.96669673892109 | erot = 2.78510583323484 | epot = -20.9254659410943 | etot = -16.1736633689383 -773000 ekin = 2.02461047276462 | erot = 2.78254769070796 | epot = -21.1083738193744 | etot = -16.3012156559018 -774000 ekin = 2.11360336305223 | erot = 2.98822109565685 | epot = -21.3029651154827 | etot = -16.2011406567736 -775000 ekin = 2.14002916093923 | erot = 3.19368392739119 | epot = -21.5172002816088 | etot = -16.1834871932784 -776000 ekin = 2.24832330955158 | erot = 3.06531971326436 | epot = -21.7038275157919 | etot = -16.390184492976 -777000 ekin = 2.26862051853018 | erot = 3.052041975564 | epot = -21.8350670013856 | etot = -16.5144045072914 -778000 ekin = 2.28742554048397 | erot = 3.14948640814728 | epot = -21.9086978776173 | etot = -16.4717859289861 -779000 ekin = 2.37679849205823 | erot = 3.25877776275542 | epot = -21.9331744453774 | etot = -16.2975981905637 -780000 ekin = 2.41113222109188 | erot = 3.41326897159812 | epot = -21.8804415437782 | etot = -16.0560403510882 -781000 ekin = 2.35841060920419 | erot = 3.41692834903725 | epot = -21.7562873535247 | etot = -15.9809483952833 -782000 ekin = 2.33104722618925 | erot = 3.31967786761421 | epot = -21.5791021588893 | etot = -15.9283770650858 -783000 ekin = 2.44468610858592 | erot = 3.39120123576657 | epot = -21.3872233744809 | etot = -15.5513360301284 -784000 ekin = 2.47031155030493 | erot = 3.16062374062837 | epot = -21.2067959255538 | etot = -15.5758606346205 -785000 ekin = 2.44425304006453 | erot = 2.93358092964967 | epot = -21.066643439753 | etot = -15.6888094700389 -786000 ekin = 2.38361530280111 | erot = 2.47008597237393 | epot = -20.9753503604675 | etot = -16.1216490852925 -787000 ekin = 2.48426374783216 | erot = 2.47298901652775 | epot = -20.8359485090504 | etot = -15.8786957446905 -788000 ekin = 2.62422129022946 | erot = 2.14521403572779 | epot = -20.7277036502885 | etot = -15.9582683243313 -789000 ekin = 2.71455119012379 | erot = 2.24597257975577 | epot = -20.9557602381699 | etot = -15.9952364682903 -790000 ekin = 2.89566287380398 | erot = 2.37559330223226 | epot = -21.3404176331993 | etot = -16.069161457163 -791000 ekin = 2.93118110717492 | erot = 2.41626490731772 | epot = -21.5892702620191 | etot = -16.2418242475265 -792000 ekin = 2.94573011047197 | erot = 2.50772398358449 | epot = -21.779447974455 | etot = -16.3259938803986 -793000 ekin = 2.88905153418616 | erot = 2.38272361409117 | epot = -21.9056315911052 | etot = -16.6338564428279 -794000 ekin = 2.80588096705402 | erot = 2.32779825823209 | epot = -21.9743818696615 | etot = -16.8407026443754 -795000 ekin = 2.70597772737626 | erot = 2.07317402356788 | epot = -22.0026881808375 | etot = -17.2235364298933 -796000 ekin = 2.61721688822854 | erot = 2.08773529507834 | epot = -21.9918041689519 | etot = -17.286851985645 -797000 ekin = 2.43136202877212 | erot = 1.9804893387745 | epot = -21.9515392836584 | etot = -17.5396879161117 -798000 ekin = 2.36116858693514 | erot = 1.82755970456288 | epot = -21.900064527295 | etot = -17.7113362357969 -799000 ekin = 2.29297525756191 | erot = 1.54383623564202 | epot = -21.829172635306 | etot = -17.9923611421021 -800000 ekin = 2.24935465151725 | erot = 1.54461847951829 | epot = -21.725975188811 | etot = -17.9320020577754 -801000 ekin = 2.14652429984749 | erot = 1.41717049108724 | epot = -21.638461811624 | etot = -18.0747670206892 -802000 ekin = 2.30260756676161 | erot = 1.51416478035546 | epot = -21.5464279977214 | etot = -17.7296556506043 -803000 ekin = 2.3453462856965 | erot = 1.4094988657911 | epot = -21.5017245308287 | etot = -17.7468793793411 -804000 ekin = 2.3175234695651 | erot = 1.5752835135108 | epot = -21.5228204134075 | etot = -17.6300134303316 -805000 ekin = 2.5190836302223 | erot = 2.02682036822104 | epot = -21.6250345942614 | etot = -17.079130595818 -806000 ekin = 2.69359804195369 | erot = 2.31785574785072 | epot = -21.7872941337149 | etot = -16.7758403439105 -807000 ekin = 2.78033847998957 | erot = 2.41121019329391 | epot = -21.9922590001467 | etot = -16.8007103268633 -808000 ekin = 2.80619611495448 | erot = 2.63792095913468 | epot = -22.2205031545377 | etot = -16.7763860804485 -809000 ekin = 2.88326450587592 | erot = 2.67886677112956 | epot = -22.4540143776033 | etot = -16.8918831005978 -810000 ekin = 2.91302007052298 | erot = 2.96339278377582 | epot = -22.6564267335957 | etot = -16.7800138792969 -811000 ekin = 3.09829332412733 | erot = 2.61119529725635 | epot = -22.8014808233362 | etot = -17.0919922019525 -812000 ekin = 3.08224679909935 | erot = 2.59515009531311 | epot = -22.8823180456431 | etot = -17.2049211512307 -813000 ekin = 3.0091695521178 | erot = 2.75135704659747 | epot = -22.9208796974764 | etot = -17.1603530987612 -814000 ekin = 2.97174307315438 | erot = 2.9052545136944 | epot = -22.9341256772718 | etot = -17.057128090423 -815000 ekin = 2.96997620608158 | erot = 3.14378750342447 | epot = -22.9208614386061 | etot = -16.8070977291 -816000 ekin = 2.92448217396056 | erot = 2.88577656649698 | epot = -22.878209439187 | etot = -17.0679506987294 -817000 ekin = 2.88310554429891 | erot = 2.61870439923339 | epot = -22.8398760621413 | etot = -17.338066118609 -818000 ekin = 2.81866856581223 | erot = 2.51624869438272 | epot = -22.7906528740449 | etot = -17.4557356138499 -819000 ekin = 2.6919079109904 | erot = 1.98944862516352 | epot = -22.7267915943543 | etot = -18.0454350582004 -820000 ekin = 2.68723603003253 | erot = 1.98686669393802 | epot = -22.684856204087 | etot = -18.0107534801164 -821000 ekin = 2.54604202399357 | erot = 2.17140584071585 | epot = -22.6462173351121 | etot = -17.9287694704027 -822000 ekin = 2.51719569260242 | erot = 2.14190227339863 | epot = -22.6036341275859 | etot = -17.9445361615849 -823000 ekin = 2.38975947310458 | erot = 2.45514339808654 | epot = -22.5714957893448 | etot = -17.7265929181537 -824000 ekin = 2.31794554366188 | erot = 2.04410509977368 | epot = -22.5460261880512 | etot = -18.1839755446156 -825000 ekin = 2.24137456885504 | erot = 2.02652245530611 | epot = -22.5316621259004 | etot = -18.2637651017393 -826000 ekin = 2.17386448676143 | erot = 1.87577926811353 | epot = -22.5563066825768 | etot = -18.5066629277018 -827000 ekin = 2.15440642655625 | erot = 2.1008390507396 | epot = -22.5878061584627 | etot = -18.3325606811669 -828000 ekin = 1.93354077156905 | erot = 1.9731822770431 | epot = -22.6117615018442 | etot = -18.7050384532321 -829000 ekin = 1.91274491416356 | erot = 2.31769032262726 | epot = -22.6065942718254 | etot = -18.3761590350346 -830000 ekin = 1.87910339968436 | erot = 2.45880670474181 | epot = -22.6125193475723 | etot = -18.2746092431461 -831000 ekin = 1.8972578167219 | erot = 2.49473420733519 | epot = -22.6167165770098 | etot = -18.2247245529527 -832000 ekin = 1.85092425352074 | erot = 2.48066273824452 | epot = -22.6085378559508 | etot = -18.2769508641856 -833000 ekin = 1.79059573863358 | erot = 2.56006070864993 | epot = -22.6126545978111 | etot = -18.2619981505276 -834000 ekin = 1.79399510293666 | erot = 2.44673113220985 | epot = -22.6154861129955 | etot = -18.374759877849 -835000 ekin = 1.80394510948937 | erot = 2.35964658964095 | epot = -22.6388182435247 | etot = -18.4752265443944 -836000 ekin = 1.69826382101385 | erot = 2.57406388654467 | epot = -22.6545723055291 | etot = -18.3822445979706 -837000 ekin = 1.57085807181329 | erot = 2.43187270748743 | epot = -22.6792499151532 | etot = -18.6765191358525 -838000 ekin = 1.48932995393538 | erot = 2.24165123204813 | epot = -22.6860468687766 | etot = -18.955065682793 -839000 ekin = 1.38743724869546 | erot = 1.79947957819574 | epot = -22.6563653509736 | etot = -19.4694485240824 -840000 ekin = 1.45337763400283 | erot = 1.96043695396497 | epot = -22.6075458233692 | etot = -19.1937312354014 -841000 ekin = 1.52590522598348 | erot = 2.22694909527648 | epot = -22.5519353417586 | etot = -18.7990810204987 -842000 ekin = 1.46532363485155 | erot = 2.10614026643253 | epot = -22.4887366967057 | etot = -18.9172727954216 -843000 ekin = 1.45281094628262 | erot = 2.17368676107335 | epot = -22.4106869099592 | etot = -18.7841892026032 -844000 ekin = 1.49761542714544 | erot = 2.37443717915479 | epot = -22.3449586551379 | etot = -18.4729060488377 -845000 ekin = 1.55104391739276 | erot = 2.37673299844034 | epot = -22.2778376071646 | etot = -18.3500606913315 -846000 ekin = 1.58963047079771 | erot = 2.33696583404067 | epot = -22.1844847216024 | etot = -18.257888416764 -847000 ekin = 1.54789432070443 | erot = 2.2193526636214 | epot = -22.0782777408753 | etot = -18.3110307565495 -848000 ekin = 1.64518981802307 | erot = 2.2554443671811 | epot = -21.9989181480495 | etot = -18.0982839628453 -849000 ekin = 1.65560014958063 | erot = 2.25710120668815 | epot = -21.9671927272682 | etot = -18.0544913709994 -850000 ekin = 1.64990114979127 | erot = 2.10882779392655 | epot = -21.9923852605675 | etot = -18.2336563168497 -851000 ekin = 1.76413935252605 | erot = 2.19132684842445 | epot = -22.0608745954441 | etot = -18.1054083944936 -852000 ekin = 1.77078332134281 | erot = 2.28186973474134 | epot = -22.1743987365006 | etot = -18.1217456804165 -853000 ekin = 1.8869100613698 | erot = 2.41685663704521 | epot = -22.315529258634 | etot = -18.011762560219 -854000 ekin = 1.9192805380625 | erot = 2.87742240655933 | epot = -22.4875387473848 | etot = -17.690835802763 -855000 ekin = 1.91817487389649 | erot = 2.76992189261558 | epot = -22.6436233810602 | etot = -17.9555266145481 -856000 ekin = 1.88635564274586 | erot = 2.93908057670003 | epot = -22.7647148292097 | etot = -17.9392786097638 -857000 ekin = 1.87890917293874 | erot = 2.80324259714543 | epot = -22.8439440601362 | etot = -18.161792290052 -858000 ekin = 1.76204051430329 | erot = 3.04908239798861 | epot = -22.8707912309192 | etot = -18.0596683186273 -859000 ekin = 1.79890243291169 | erot = 3.0063239833868 | epot = -22.8581636219632 | etot = -18.0529372056647 -860000 ekin = 1.84913198872829 | erot = 2.53687454533322 | epot = -22.8254155766946 | etot = -18.4394090426331 -861000 ekin = 1.91842166492715 | erot = 2.44106443467608 | epot = -22.7812919779287 | etot = -18.4218058783254 -862000 ekin = 2.03399415900866 | erot = 2.51630721219484 | epot = -22.7187848283725 | etot = -18.168483457169 -863000 ekin = 2.06594803165525 | erot = 2.19676104809343 | epot = -22.6494648939944 | etot = -18.3867558142457 -864000 ekin = 2.14467142649392 | erot = 2.30238631972367 | epot = -22.5816995592187 | etot = -18.1346418130012 -865000 ekin = 2.16190583025863 | erot = 2.29241108749928 | epot = -22.5280905818478 | etot = -18.0737736640899 -866000 ekin = 2.08928464919363 | erot = 2.34809191732022 | epot = -22.4600229326601 | etot = -18.0226463661463 -867000 ekin = 2.13586636899989 | erot = 2.4266752182288 | epot = -22.3898488501323 | etot = -17.8273072629036 -868000 ekin = 2.19543171663428 | erot = 2.34267445579126 | epot = -22.3416768736343 | etot = -17.8035707012087 -869000 ekin = 2.29038273021928 | erot = 1.9793531467175 | epot = -22.3115310066376 | etot = -18.0417951297008 -870000 ekin = 2.32898457121495 | erot = 2.18228869748504 | epot = -22.3276861507278 | etot = -17.8164128820278 -871000 ekin = 2.23179297801985 | erot = 2.24593328260165 | epot = -22.3623188812128 | etot = -17.8845926205913 -872000 ekin = 2.29217187589436 | erot = 1.92704010734646 | epot = -22.3920054616879 | etot = -18.172793478447 -873000 ekin = 2.32174880232948 | erot = 2.05958528502851 | epot = -22.426393234345 | etot = -18.045059146987 -874000 ekin = 2.31327351953412 | erot = 2.03208404812012 | epot = -22.4554437891481 | etot = -18.1100862214939 -875000 ekin = 2.36060633411453 | erot = 1.96315060902063 | epot = -22.4715825698369 | etot = -18.1478256267017 -876000 ekin = 2.37581414827236 | erot = 1.68685668202761 | epot = -22.5004013214878 | etot = -18.4377304911878 -877000 ekin = 2.2774275572836 | erot = 1.83322419137989 | epot = -22.5321167358422 | etot = -18.4214649871787 -878000 ekin = 2.26319377123925 | erot = 1.87116890647728 | epot = -22.5413279545501 | etot = -18.4069652768335 -879000 ekin = 2.23196066439052 | erot = 2.13914596070926 | epot = -22.5501734040973 | etot = -18.1790667789975 -880000 ekin = 2.13938297973397 | erot = 2.29330131769693 | epot = -22.5711782332529 | etot = -18.138493935822 -881000 ekin = 2.13186803837593 | erot = 2.14219424217102 | epot = -22.5804302674661 | etot = -18.3063679869192 -882000 ekin = 2.07769353958435 | erot = 2.09780809423991 | epot = -22.5758307354851 | etot = -18.4003291016608 -883000 ekin = 2.14813365127748 | erot = 2.30712986664785 | epot = -22.5610981496801 | etot = -18.1058346317548 -884000 ekin = 2.07540055241901 | erot = 2.6097121651115 | epot = -22.5339770599275 | etot = -17.8488643423969 -885000 ekin = 2.02469768265832 | erot = 2.37910004807544 | epot = -22.5100762497879 | etot = -18.1062785190541 -886000 ekin = 2.04877327926393 | erot = 2.49200684196671 | epot = -22.4892651846715 | etot = -17.9484850634409 -887000 ekin = 2.04537209931188 | erot = 2.62826263805271 | epot = -22.4798822756864 | etot = -17.8062475383219 -888000 ekin = 1.99171888431566 | erot = 2.59410846730975 | epot = -22.5006414627735 | etot = -17.9148141111481 -889000 ekin = 1.98870471402318 | erot = 2.78841340112904 | epot = -22.546872056789 | etot = -17.7697539416368 -890000 ekin = 1.96284801049735 | erot = 2.75880808828204 | epot = -22.6085064197192 | etot = -17.8868503209398 -891000 ekin = 1.98112231165085 | erot = 3.13734593344338 | epot = -22.6928710534586 | etot = -17.5744028083644 -892000 ekin = 1.98665494216688 | erot = 3.33630831317305 | epot = -22.7519184177193 | etot = -17.4289551623794 -893000 ekin = 2.01620612275753 | erot = 3.24720583677029 | epot = -22.8064098471907 | etot = -17.5429978876629 -894000 ekin = 2.02749033009506 | erot = 3.22400069534638 | epot = -22.852106892038 | etot = -17.6006158665965 -895000 ekin = 2.00160082448679 | erot = 3.17371669918424 | epot = -22.861417685562 | etot = -17.6861001618909 -896000 ekin = 1.81339236987826 | erot = 2.84276750236102 | epot = -22.8462163214755 | etot = -18.1900564492362 -897000 ekin = 1.78689182954807 | erot = 2.92738822261737 | epot = -22.8071071587288 | etot = -18.0928271065633 -898000 ekin = 1.79533619439939 | erot = 3.24658999514194 | epot = -22.7264192132142 | etot = -17.6844930236728 -899000 ekin = 1.86159788109517 | erot = 3.45052252235128 | epot = -22.6568068772929 | etot = -17.3446864738464 -900000 ekin = 1.87156534773537 | erot = 3.32747935578065 | epot = -22.6039784131469 | etot = -17.4049337096309 -901000 ekin = 1.9203223096468 | erot = 2.99424285088196 | epot = -22.5603724778789 | etot = -17.6458073173501 -902000 ekin = 1.90371430437791 | erot = 3.42499917648123 | epot = -22.5288190745227 | etot = -17.2001055936635 -903000 ekin = 1.90475417412636 | erot = 2.92419346565695 | epot = -22.4819033922515 | etot = -17.6529557524682 -904000 ekin = 1.90422508856298 | erot = 2.83212155923839 | epot = -22.4265338107446 | etot = -17.6901871629432 -905000 ekin = 2.00220741570039 | erot = 2.40991127904432 | epot = -22.3822853443984 | etot = -17.9701666496537 -906000 ekin = 2.01583988806336 | erot = 2.50889047935596 | epot = -22.3419713063767 | etot = -17.8172409389574 -907000 ekin = 2.13017652685894 | erot = 2.70022028195477 | epot = -22.294800159206 | etot = -17.4644033503923 -908000 ekin = 2.21155735897725 | erot = 2.35139718849955 | epot = -22.2413626180752 | etot = -17.6784080705984 -909000 ekin = 2.1338678778415 | erot = 2.19569541163544 | epot = -22.1827827026493 | etot = -17.8532194131724 -910000 ekin = 2.16567596172158 | erot = 2.22520003505072 | epot = -22.1149129856198 | etot = -17.7240369888475 -911000 ekin = 2.15809222107967 | erot = 2.29037173955218 | epot = -22.0462122442139 | etot = -17.597748283582 -912000 ekin = 2.22087547394991 | erot = 2.4365535062685 | epot = -21.9749682300963 | etot = -17.3175392498778 -913000 ekin = 2.19758537996087 | erot = 2.46754067556572 | epot = -21.8990451147438 | etot = -17.2339190592172 -914000 ekin = 2.14504994740392 | erot = 2.32786068060047 | epot = -21.8498156381482 | etot = -17.3769050101439 -915000 ekin = 2.15677546734588 | erot = 2.12497444036455 | epot = -21.8141432513065 | etot = -17.532393343596 -916000 ekin = 2.21600145725684 | erot = 2.25340153292624 | epot = -21.7876876242363 | etot = -17.3182846340532 -917000 ekin = 2.23364693785463 | erot = 2.35177352781202 | epot = -21.7779589013939 | etot = -17.1925384357273 -918000 ekin = 2.08464913851982 | erot = 2.61658836146586 | epot = -21.7825075848227 | etot = -17.081270084837 -919000 ekin = 2.05155719758458 | erot = 2.37138616162172 | epot = -21.8289412030739 | etot = -17.4059978438676 -920000 ekin = 1.99021755546976 | erot = 2.17794976390715 | epot = -21.8761397201459 | etot = -17.707972400769 -921000 ekin = 2.01039430381078 | erot = 2.29773189624639 | epot = -21.910848328397 | etot = -17.6027221283399 -922000 ekin = 1.92539579138483 | erot = 2.21469038539289 | epot = -21.926552818398 | etot = -17.7864666416203 -923000 ekin = 1.89135276318228 | erot = 2.48033290205709 | epot = -21.9147153156547 | etot = -17.5430296504154 -924000 ekin = 1.83373481371755 | erot = 2.30418865947073 | epot = -21.8715535507901 | etot = -17.7336300776018 -925000 ekin = 1.8038478551145 | erot = 2.4978787938512 | epot = -21.8417123497566 | etot = -17.5399857007909 -926000 ekin = 1.90546414331471 | erot = 2.28964220950093 | epot = -21.8161106439932 | etot = -17.6210042911776 -927000 ekin = 1.75800031856201 | erot = 2.26185811978912 | epot = -21.8155973506592 | etot = -17.795738912308 -928000 ekin = 1.73012385728572 | erot = 2.25745755725607 | epot = -21.8415061020344 | etot = -17.8539246874926 -929000 ekin = 1.7018110667566 | erot = 2.2450849522952 | epot = -21.9018319158868 | etot = -17.954935896835 -930000 ekin = 1.78315203550102 | erot = 2.33522003414088 | epot = -22.0077604163355 | etot = -17.8893883466936 -931000 ekin = 1.77363895925613 | erot = 2.46038215962602 | epot = -22.1457204230456 | etot = -17.9116993041634 -932000 ekin = 1.76667271586578 | erot = 2.59245568108961 | epot = -22.3144614382824 | etot = -17.955333041327 -933000 ekin = 1.78209785939051 | erot = 2.56752596800037 | epot = -22.4867886743826 | etot = -18.1371648469917 -934000 ekin = 1.8717364767945 | erot = 2.44750687382831 | epot = -22.6262337406971 | etot = -18.3069903900743 -935000 ekin = 1.89665977697882 | erot = 2.59891583987105 | epot = -22.7433040011 | etot = -18.2477283842501 -936000 ekin = 1.8992025911959 | erot = 2.87375257167802 | epot = -22.8003443005922 | etot = -18.0273891377183 -937000 ekin = 1.86426948560471 | erot = 2.64779084733975 | epot = -22.7873604341047 | etot = -18.2753001011602 -938000 ekin = 1.86665683366531 | erot = 2.42302063492635 | epot = -22.7023246368744 | etot = -18.4126471682827 -939000 ekin = 1.76698390194225 | erot = 2.40739406174085 | epot = -22.5642561328095 | etot = -18.3898781691264 -940000 ekin = 1.75137690733442 | erot = 2.24076427939137 | epot = -22.3713737329339 | etot = -18.3792325462081 -941000 ekin = 1.58963621298635 | erot = 2.27191088485085 | epot = -22.1644304701041 | etot = -18.3028833722669 -942000 ekin = 1.4623260249004 | erot = 2.08408025750063 | epot = -21.9623923454052 | etot = -18.4159860630042 -943000 ekin = 1.49840034172858 | erot = 2.09453482021837 | epot = -21.8214517267649 | etot = -18.2285165648179 -944000 ekin = 1.50566445428587 | erot = 2.08049635757391 | epot = -21.7243523603986 | etot = -18.1381915485388 -945000 ekin = 1.52481544863404 | erot = 2.24222261671401 | epot = -21.6950663303344 | etot = -17.9280282649863 -946000 ekin = 1.67052698469246 | erot = 2.20043430064328 | epot = -21.7083474408047 | etot = -17.837386155469 -947000 ekin = 1.75831919417177 | erot = 2.42832255803308 | epot = -21.7266669161356 | etot = -17.5400251639308 -948000 ekin = 1.7705217860228 | erot = 2.24375036337257 | epot = -21.7571925539254 | etot = -17.74292040453 -949000 ekin = 1.90525688107052 | erot = 2.15107670024962 | epot = -21.7910913830608 | etot = -17.7347578017406 -950000 ekin = 1.99637307838834 | erot = 2.29947036820516 | epot = -21.8702527820791 | etot = -17.5744093354856 -951000 ekin = 2.10483728892526 | erot = 2.3094085040773 | epot = -21.9629695449464 | etot = -17.5487237519438 -952000 ekin = 2.18030789934554 | erot = 2.68842229181076 | epot = -22.0513964726254 | etot = -17.1826662814691 -953000 ekin = 2.29894777100326 | erot = 2.6960381129226 | epot = -22.1773476270724 | etot = -17.1823617431465 -954000 ekin = 2.50427642784653 | erot = 2.51587062326938 | epot = -22.2938756186984 | etot = -17.2737285675825 -955000 ekin = 2.68601007094799 | erot = 2.85595708623611 | epot = -22.4136942236112 | etot = -16.8717270664271 -956000 ekin = 2.86208234199617 | erot = 2.86492575592096 | epot = -22.5276582827249 | etot = -16.8006501848078 -957000 ekin = 2.94712002857799 | erot = 3.23864127130578 | epot = -22.6062380946206 | etot = -16.4204767947369 -958000 ekin = 3.09033820658024 | erot = 3.08801001679483 | epot = -22.6118588804731 | etot = -16.433510657098 -959000 ekin = 3.12093785566042 | erot = 3.07623469356985 | epot = -22.5436503994878 | etot = -16.3464778502576 -960000 ekin = 2.90690163741526 | erot = 3.01090766604296 | epot = -22.3906223678561 | etot = -16.4728130643979 -961000 ekin = 2.88926986935791 | erot = 2.81186239490846 | epot = -22.1509889576315 | etot = -16.4498566933652 -962000 ekin = 2.71651285756912 | erot = 2.6935364005441 | epot = -21.8539054312209 | etot = -16.4438561731076 -963000 ekin = 2.60409923966682 | erot = 2.39582384415104 | epot = -21.541690670359 | etot = -16.5417675865411 -964000 ekin = 2.40781072012975 | erot = 2.16537437005373 | epot = -21.2330620721351 | etot = -16.6598769819517 -965000 ekin = 2.33775275825805 | erot = 2.03652274723791 | epot = -20.9588727103872 | etot = -16.5845972048912 -966000 ekin = 2.17944465260482 | erot = 2.02332848530763 | epot = -20.7642311299473 | etot = -16.5614579920348 -967000 ekin = 2.07498857026546 | erot = 2.11733282843236 | epot = -20.6152408895122 | etot = -16.4229194908144 -968000 ekin = 1.97751523071242 | erot = 2.25496129774339 | epot = -20.5096192481152 | etot = -16.2771427196593 -969000 ekin = 1.9943112249466 | erot = 2.15454095745161 | epot = -20.4866822650025 | etot = -16.3378300826043 -970000 ekin = 2.00624797975507 | erot = 2.31644539427633 | epot = -20.4984368720272 | etot = -16.1757434979958 -971000 ekin = 2.03726182368046 | erot = 2.5740691190952 | epot = -20.5474355193067 | etot = -15.936104576531 -972000 ekin = 2.11053299316089 | erot = 2.66924970104341 | epot = -20.5957948560722 | etot = -15.8160121618679 -973000 ekin = 2.13909953768438 | erot = 2.79309645313365 | epot = -20.6193111119716 | etot = -15.6871151211536 -974000 ekin = 2.0364255989653 | erot = 2.93377318653168 | epot = -20.614312681757 | etot = -15.6441138962601 -975000 ekin = 1.91630022907475 | erot = 2.56349308712585 | epot = -20.5694430140214 | etot = -16.0896496978208 -976000 ekin = 1.83216235810447 | erot = 2.64204586914642 | epot = -20.5231354926871 | etot = -16.0489272654362 -977000 ekin = 1.76505303121177 | erot = 2.68514846627367 | epot = -20.4500578076262 | etot = -15.9998563101408 -978000 ekin = 1.73639184783115 | erot = 2.27119801193601 | epot = -20.3949825706908 | etot = -16.3873927109236 -979000 ekin = 1.81309943455151 | erot = 2.038221796097 | epot = -20.3578721503546 | etot = -16.5065509197061 -980000 ekin = 1.79425326253118 | erot = 1.72046042714387 | epot = -20.3201056722024 | etot = -16.8053919825273 -981000 ekin = 1.84538588980103 | erot = 1.59977232807697 | epot = -20.3368599575045 | etot = -16.8917017396265 -982000 ekin = 1.93610246096158 | erot = 1.75747204616996 | epot = -20.4060032926321 | etot = -16.7124287855005 -983000 ekin = 1.99928359157526 | erot = 1.98902145591244 | epot = -20.4909781895406 | etot = -16.5026731420529 -984000 ekin = 2.19592051978294 | erot = 2.09613897173606 | epot = -20.6254618277917 | etot = -16.3334023362727 -985000 ekin = 2.31254022438582 | erot = 2.24661234767447 | epot = -20.7844444229592 | etot = -16.2252918508989 -986000 ekin = 2.45455647294213 | erot = 2.08651767106828 | epot = -20.9596902957344 | etot = -16.418616151724 -987000 ekin = 2.56068322151335 | erot = 2.27175324341651 | epot = -21.1348257089449 | etot = -16.3023892440151 -988000 ekin = 2.67201091365369 | erot = 2.31132475519915 | epot = -21.3185263075051 | etot = -16.3351906386523 -989000 ekin = 2.79950226646056 | erot = 2.4956624706702 | epot = -21.4876529502225 | etot = -16.1924882130918 -990000 ekin = 2.90927705603678 | erot = 2.70153575217296 | epot = -21.6276754302441 | etot = -16.0168626220344 -991000 ekin = 3.07684775125908 | erot = 3.08981572487662 | epot = -21.7184165043282 | etot = -15.5517530281925 -992000 ekin = 3.12051956981941 | erot = 3.14725854673635 | epot = -21.7580543270384 | etot = -15.4902762104827 -993000 ekin = 3.12062810763639 | erot = 3.10806695223028 | epot = -21.7488136709537 | etot = -15.520118611087 -994000 ekin = 3.10341951101668 | erot = 3.39574822230777 | epot = -21.7355411993575 | etot = -15.2363734660331 -995000 ekin = 3.07116945452615 | erot = 3.6179815597936 | epot = -21.7172569404679 | etot = -15.0281059261481 -996000 ekin = 3.08751007567553 | erot = 3.22587194373128 | epot = -21.7092684412537 | etot = -15.3958864218469 -997000 ekin = 3.02133326540323 | erot = 3.22966909291854 | epot = -21.7044711321526 | etot = -15.4534687738308 -998000 ekin = 3.04814833733245 | erot = 3.33574456092131 | epot = -21.671429150029 | etot = -15.2875362517752 -999000 ekin = 3.13698021613418 | erot = 3.24185323699413 | epot = -21.6125731456073 | etot = -15.233739692479 -1000000 ekin = 3.12438752705953 | erot = 2.79887049874939 | epot = -21.5300188398266 | etot = -15.6067608140177 - 1000000 0.13886167 -1.3621774 0.016551227 -1.150352 9.5441241e-05 64000 -Loop time of 32.858 on 1 procs for 1000000 steps with 16 atoms - -Performance: 26294.981 tau/day, 30434.005 timesteps/s -99.2% CPU use with 1 MPI tasks x no OpenMP threads - -MPI task timing breakdown: -Section | min time | avg time | max time |%varavg| %total ---------------------------------------------------------------- -Pair | 26.906 | 26.906 | 26.906 | 0.0 | 81.89 -Bond | 0.93252 | 0.93252 | 0.93252 | 0.0 | 2.84 -Neigh | 0.029033 | 0.029033 | 0.029033 | 0.0 | 0.09 -Comm | 0.21863 | 0.21863 | 0.21863 | 0.0 | 0.67 -Output | 0.16316 | 0.16316 | 0.16316 | 0.0 | 0.50 -Modify | 4.2825 | 4.2825 | 4.2825 | 0.0 | 13.03 -Other | | 0.3263 | | | 0.99 - -Nlocal: 16.0000 ave 16 max 16 min -Histogram: 1 0 0 0 0 0 0 0 0 0 -Nghost: 0.00000 ave 0 max 0 min -Histogram: 1 0 0 0 0 0 0 0 0 0 -Neighs: 105.000 ave 105 max 105 min -Histogram: 1 0 0 0 0 0 0 0 0 0 - -Total # of neighbors = 105 -Ave neighs/atom = 6.5625000 -Ave special neighs/atom = 3.7500000 -Neighbor list builds = 1000 -Dangerous builds = 0 - -write_data last_config.${number}.* nocoeff -write_data last_config.2.* nocoeff -System init for write_data ... -Total wall time: 0:00:32 diff --git a/examples/PACKAGES/cgdna/examples/oxDNA/duplex2/log.27May21.duplex2.g++.4 b/examples/PACKAGES/cgdna/examples/oxDNA/duplex2/log.27May21.duplex2.g++.4 deleted file mode 100644 index 8744f7b4cd..0000000000 --- a/examples/PACKAGES/cgdna/examples/oxDNA/duplex2/log.27May21.duplex2.g++.4 +++ /dev/null @@ -1,1172 +0,0 @@ -LAMMPS (27 May 2021) -variable number equal 2 -variable ofreq equal 1000 -variable efreq equal 1000 -variable T equal 0.1 - -units lj - -dimension 3 - -newton off - -boundary p p p - -atom_style hybrid bond ellipsoid oxdna -WARNING: Atom style hybrid defines both, per-type and per-atom masses; both must be set, but only per-atom masses will be used (../atom_vec_hybrid.cpp:157) -atom_modify sort 0 1.0 - -# Pair interactions require lists of neighbours to be calculated -neighbor 2.0 bin -neigh_modify every 1 delay 0 check yes - -read_data data.duplex2 -Reading data file ... - orthogonal box = (-20.000000 -20.000000 -20.000000) to (20.000000 20.000000 20.000000) - 1 by 2 by 2 MPI processor grid - reading atoms ... - 16 atoms - reading velocities ... - 16 velocities - scanning bonds ... - 2 = max bonds/atom - 16 ellipsoids - reading bonds ... - 13 bonds -Finding 1-2 1-3 1-4 neighbors ... - special bond factors lj: 0 0 0 - special bond factors coul: 0 0 0 - 2 = max # of 1-2 neighbors - 2 = max # of 1-3 neighbors - 4 = max # of 1-4 neighbors - 6 = max # of special neighbors - special bonds CPU = 0.001 seconds - read_data CPU = 0.005 seconds - -set atom * mass 3.1575 -Setting atom values ... - 16 settings made for mass - -group all type 1 4 -16 atoms in group all - -# oxDNA bond interactions - FENE backbone -bond_style oxdna/fene -bond_coeff * 2.0 0.25 0.7525 -special_bonds lj 0 1 1 -Finding 1-2 1-3 1-4 neighbors ... - special bond factors lj: 0 1 1 - special bond factors coul: 0 0 0 - 2 = max # of 1-2 neighbors - 2 = max # of 1-3 neighbors - 4 = max # of 1-4 neighbors - 6 = max # of special neighbors - special bonds CPU = 0.000 seconds - -# oxDNA pair interactions -pair_style hybrid/overlay oxdna/excv oxdna/stk oxdna/hbond oxdna/xstk oxdna/coaxstk -pair_coeff * * oxdna/excv 2.0 0.7 0.675 2.0 0.515 0.5 2.0 0.33 0.32 -pair_coeff * * oxdna/stk seqav ${T} 1.3448 2.6568 6.0 0.4 0.9 0.32 0.75 1.3 0 0.8 0.9 0 0.95 0.9 0 0.95 2.0 0.65 2.0 0.65 -pair_coeff * * oxdna/stk seqav 0.1 1.3448 2.6568 6.0 0.4 0.9 0.32 0.75 1.3 0 0.8 0.9 0 0.95 0.9 0 0.95 2.0 0.65 2.0 0.65 -pair_coeff * * oxdna/hbond seqav 0.0 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 -pair_coeff 1 4 oxdna/hbond seqav 1.077 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 -pair_coeff 2 3 oxdna/hbond seqav 1.077 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 -pair_coeff * * oxdna/xstk 47.5 0.575 0.675 0.495 0.655 2.25 0.791592653589793 0.58 1.7 1.0 0.68 1.7 1.0 0.68 1.5 0 0.65 1.7 0.875 0.68 1.7 0.875 0.68 -pair_coeff * * oxdna/coaxstk 46.0 0.4 0.6 0.22 0.58 2.0 2.541592653589793 0.65 1.3 0 0.8 0.9 0 0.95 0.9 0 0.95 2.0 -0.65 2.0 -0.65 - -# NVE ensemble -fix 1 all nve/asphere -fix 2 all langevin ${T} ${T} 2.5 457145 angmom 10 -fix 2 all langevin 0.1 ${T} 2.5 457145 angmom 10 -fix 2 all langevin 0.1 0.1 2.5 457145 angmom 10 - -timestep 1e-5 - -#comm_style tiled -fix 3 all balance 1000 1.03 shift xyz 10 1.03 -comm_modify cutoff 3.8 - -compute quat all property/atom quatw quati quatj quatk - -compute erot all erotate/asphere -compute ekin all ke -compute epot all pe -variable erot equal c_erot -variable ekin equal c_ekin -variable epot equal c_epot -variable etot equal c_erot+c_ekin+c_epot -fix 5 all print ${efreq} "$(step) ekin = ${ekin} | erot = ${erot} | epot = ${epot} | etot = ${etot}" screen yes -fix 5 all print 1000 "$(step) ekin = ${ekin} | erot = ${erot} | epot = ${epot} | etot = ${etot}" screen yes - -dump out all custom ${ofreq} out.${number}.lammpstrj id mol type x y z ix iy iz vx vy vz c_quat[1] c_quat[2] c_quat[3] c_quat[4] angmomx angmomy angmomz -dump out all custom 1000 out.${number}.lammpstrj id mol type x y z ix iy iz vx vy vz c_quat[1] c_quat[2] c_quat[3] c_quat[4] angmomx angmomy angmomz -dump out all custom 1000 out.2.lammpstrj id mol type x y z ix iy iz vx vy vz c_quat[1] c_quat[2] c_quat[3] c_quat[4] angmomx angmomy angmomz -dump_modify out sort id -dump_modify out format line "%d %d %d %22.15le %22.15le %22.15le %d %d %d %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le" - -run 1000000 -Neighbor list info ... - update every 1 steps, delay 0 steps, check yes - max neighbors/atom: 2000, page size: 100000 - master list distance cutoff = 2.9560004 - ghost atom cutoff = 3.8 - binsize = 1.4780002, bins = 28 28 28 - 4 neighbor lists, perpetual/occasional/extra = 4 0 0 - (1) pair oxdna/excv, perpetual - attributes: half, newton off - pair build: half/bin/newtoff - stencil: full/bin/3d - bin: standard - (2) pair oxdna/hbond, perpetual, copy from (1) - attributes: half, newton off - pair build: copy - stencil: none - bin: none - (3) pair oxdna/xstk, perpetual, copy from (1) - attributes: half, newton off - pair build: copy - stencil: none - bin: none - (4) pair oxdna/coaxstk, perpetual, copy from (1) - attributes: half, newton off - pair build: copy - stencil: none - bin: none -0 ekin = 2.70475393009871 | erot = 2.80172072918779 | epot = -21.9967648054699 | etot = -16.4902901461834 -Per MPI rank memory allocation (min/avg/max) = 9.234 | 9.266 | 9.346 Mbytes -Step Temp E_pair E_mol TotEng Press Volume - 0 0.12021129 -1.3914531 0.016655298 -1.2057507 5.174549e-05 64000 -1000 ekin = 2.69992875879531 | erot = 3.03905971783101 | epot = -21.7993424099171 | etot = -16.0603539332907 -2000 ekin = 2.74236013741186 | erot = 2.48566425489664 | epot = -21.5864392778805 | etot = -16.358414885572 -3000 ekin = 2.71406239909253 | erot = 2.2379964617931 | epot = -21.4096440189505 | etot = -16.4575851580649 -4000 ekin = 2.62654210651837 | erot = 2.20187014105975 | epot = -21.2649637920051 | etot = -16.436551544427 -5000 ekin = 2.54619704507767 | erot = 2.19543579497861 | epot = -21.1625272503904 | etot = -16.4208944103341 -6000 ekin = 2.54036074498671 | erot = 2.24575383349946 | epot = -21.1026949544699 | etot = -16.3165803759837 -7000 ekin = 2.54636725719323 | erot = 2.17480262107778 | epot = -21.0944608538479 | etot = -16.3732909755769 -8000 ekin = 2.44266194745413 | erot = 1.89959276882142 | epot = -21.1290547630673 | etot = -16.7868000467917 -9000 ekin = 2.49849768578547 | erot = 1.91590827145359 | epot = -21.2010010008038 | etot = -16.7865950435648 -10000 ekin = 2.60405521154315 | erot = 2.31942457678919 | epot = -21.2714985323704 | etot = -16.3480187440381 -11000 ekin = 2.5172962682744 | erot = 2.60159361363173 | epot = -21.3305509557369 | etot = -16.2116610738307 -12000 ekin = 2.52572671978709 | erot = 2.38660744367414 | epot = -21.4045010372609 | etot = -16.4921668737997 -13000 ekin = 2.6003507735884 | erot = 2.37491144376807 | epot = -21.501501753381 | etot = -16.5262395360245 -14000 ekin = 2.66935763609377 | erot = 2.2290243859921 | epot = -21.5988036534075 | etot = -16.7004216313217 -15000 ekin = 2.71551281751846 | erot = 2.21389248221188 | epot = -21.6990132370777 | etot = -16.7696079373473 -16000 ekin = 2.84978299090937 | erot = 2.43940966993627 | epot = -21.7959192679746 | etot = -16.506726607129 -17000 ekin = 2.95072779743506 | erot = 2.38947543725573 | epot = -21.8722593940791 | etot = -16.5320561593883 -18000 ekin = 2.85884496438632 | erot = 2.37101194861282 | epot = -21.9018380946368 | etot = -16.6719811816377 -19000 ekin = 2.77343461594057 | erot = 2.33973079907437 | epot = -21.8809702826778 | etot = -16.7678048676628 -20000 ekin = 2.58401274142392 | erot = 2.55272418280185 | epot = -21.8165314333067 | etot = -16.6797945090809 -21000 ekin = 2.51192366343057 | erot = 2.51457779660485 | epot = -21.7320362651687 | etot = -16.7055348051333 -22000 ekin = 2.49083859662961 | erot = 2.52955288592737 | epot = -21.6292667596242 | etot = -16.6088752770672 -23000 ekin = 2.39128650481513 | erot = 2.2075391744556 | epot = -21.5149142799636 | etot = -16.9160886006929 -24000 ekin = 2.35988329046224 | erot = 1.90440982269664 | epot = -21.4005066979857 | etot = -17.1362135848268 -25000 ekin = 2.28215741570372 | erot = 1.96977905366573 | epot = -21.3141881001702 | etot = -17.0622516308008 -26000 ekin = 2.19749762241961 | erot = 2.27833647039548 | epot = -21.2634725733341 | etot = -16.787638480519 -27000 ekin = 2.0082587505888 | erot = 2.19976409135109 | epot = -21.2659284236731 | etot = -17.0579055817332 -28000 ekin = 1.84164368193045 | erot = 2.29604978886231 | epot = -21.2913487545158 | etot = -17.1536552837231 -29000 ekin = 1.85165645974806 | erot = 2.13163577617279 | epot = -21.3636874932622 | etot = -17.3803952573414 -30000 ekin = 1.81585331071777 | erot = 2.36969485723283 | epot = -21.467249508595 | etot = -17.2817013406444 -31000 ekin = 1.87586085382615 | erot = 2.30099083087637 | epot = -21.6118799895371 | etot = -17.4350283048345 -32000 ekin = 2.0126641738456 | erot = 2.39241064946061 | epot = -21.7843461993917 | etot = -17.3792713760855 -33000 ekin = 2.10031097060265 | erot = 2.65484725731943 | epot = -21.9744733587442 | etot = -17.2193151308221 -34000 ekin = 2.024661815622 | erot = 2.84373149584293 | epot = -22.1941262603322 | etot = -17.3257329488672 -35000 ekin = 1.97481459340815 | erot = 3.01731663707887 | epot = -22.4189097716657 | etot = -17.4267785411787 -36000 ekin = 2.01233253730946 | erot = 2.91764073203603 | epot = -22.6202547427807 | etot = -17.6902814734353 -37000 ekin = 2.0722585098004 | erot = 3.06834431569986 | epot = -22.8024087727697 | etot = -17.6618059472694 -38000 ekin = 2.05378795549781 | erot = 3.03638675352696 | epot = -22.9460226281608 | etot = -17.855847919136 -39000 ekin = 2.06863065757199 | erot = 3.09515376672991 | epot = -23.0335342083505 | etot = -17.8697497840486 -40000 ekin = 2.0001441529857 | erot = 3.04584432430145 | epot = -23.0612280460054 | etot = -18.0152395687182 -41000 ekin = 2.05172104966416 | erot = 2.77830340889752 | epot = -23.0196796418278 | etot = -18.1896551832662 -42000 ekin = 2.05229847533165 | erot = 2.8527334853463 | epot = -22.9340198298526 | etot = -18.0289878691746 -43000 ekin = 1.93755805481289 | erot = 3.04650513325785 | epot = -22.8209174452141 | etot = -17.8368542571433 -44000 ekin = 1.84663697745676 | erot = 2.93951969808346 | epot = -22.7031673178542 | etot = -17.917010642314 -45000 ekin = 1.72975781399546 | erot = 2.60801842461352 | epot = -22.6010710155898 | etot = -18.2632947769808 -46000 ekin = 1.59186632906643 | erot = 2.62841769679505 | epot = -22.5067814781869 | etot = -18.2864974523254 -47000 ekin = 1.5410922886755 | erot = 2.65380906308325 | epot = -22.41397412102 | etot = -18.2190727692612 -48000 ekin = 1.52801508900137 | erot = 2.56168528383553 | epot = -22.3146405234589 | etot = -18.224940150622 -49000 ekin = 1.4523614750721 | erot = 2.19683353122206 | epot = -22.2336496311394 | etot = -18.5844546248453 -50000 ekin = 1.37133529115918 | erot = 2.38139075376808 | epot = -22.1777849612816 | etot = -18.4250589163544 -51000 ekin = 1.37894610429121 | erot = 2.5564395559548 | epot = -22.1214711763547 | etot = -18.1860855161087 -52000 ekin = 1.37307011220265 | erot = 2.64858735385409 | epot = -22.0854715362776 | etot = -18.0638140702208 -53000 ekin = 1.45140505120431 | erot = 2.86325966198758 | epot = -22.0769774994392 | etot = -17.7623127862474 -54000 ekin = 1.49400380215143 | erot = 3.02929024277169 | epot = -22.0888809603766 | etot = -17.5655869154535 -55000 ekin = 1.5504040486075 | erot = 2.51182875106827 | epot = -22.110508190484 | etot = -18.0482753908083 -56000 ekin = 1.49109168917169 | erot = 2.54803153869041 | epot = -22.1366154026192 | etot = -18.0974921747571 -57000 ekin = 1.5005013791342 | erot = 2.41737584414207 | epot = -22.1821202184232 | etot = -18.2642429951469 -58000 ekin = 1.60635589846632 | erot = 2.23996961758236 | epot = -22.2360694135127 | etot = -18.3897438974641 -59000 ekin = 1.72952597734783 | erot = 2.32633058396655 | epot = -22.2901578024363 | etot = -18.2343012411219 -60000 ekin = 1.69244797185252 | erot = 2.4002780727951 | epot = -22.3434040927657 | etot = -18.2506780481181 -61000 ekin = 1.7262070303266 | erot = 2.11017860160475 | epot = -22.3831797154274 | etot = -18.5467940834961 -62000 ekin = 1.79594241743972 | erot = 2.2156083769556 | epot = -22.4218397438853 | etot = -18.4102889494899 -63000 ekin = 1.77262742266278 | erot = 2.30422369990038 | epot = -22.4467748467828 | etot = -18.3699237242196 -64000 ekin = 1.8552728361909 | erot = 2.31267811362978 | epot = -22.4674777591492 | etot = -18.2995268093286 -65000 ekin = 1.78989203446876 | erot = 1.94802383598257 | epot = -22.4675168623456 | etot = -18.7296009918943 -66000 ekin = 1.77252597290744 | erot = 1.82642026775557 | epot = -22.4502267764221 | etot = -18.8512805357591 -67000 ekin = 1.80939758337873 | erot = 1.93052561353104 | epot = -22.4407582644841 | etot = -18.7008350675743 -68000 ekin = 1.8990812176376 | erot = 2.02160808150966 | epot = -22.4404733275274 | etot = -18.5197840283801 -69000 ekin = 1.91605115497139 | erot = 1.99686686402569 | epot = -22.4556690038854 | etot = -18.5427509848883 -70000 ekin = 1.97266986208223 | erot = 1.99525089575643 | epot = -22.4717127742739 | etot = -18.5037920164352 -71000 ekin = 2.00234841846529 | erot = 2.03963009556284 | epot = -22.4872545087286 | etot = -18.4452759947004 -72000 ekin = 2.04989413571926 | erot = 2.25125712690087 | epot = -22.5010508598362 | etot = -18.1998995972161 -73000 ekin = 1.96796663525087 | erot = 2.56091060599057 | epot = -22.5094020746157 | etot = -17.9805248333743 -74000 ekin = 1.94071763184335 | erot = 2.25118509796053 | epot = -22.4905641504115 | etot = -18.2986614206077 -75000 ekin = 1.9046477605406 | erot = 2.1101828610624 | epot = -22.4609449840085 | etot = -18.4461143624055 -76000 ekin = 1.96940901357875 | erot = 2.01632288693257 | epot = -22.4274745611142 | etot = -18.4417426606029 -77000 ekin = 1.94486767834818 | erot = 1.90684819966053 | epot = -22.3863373806157 | etot = -18.534621502607 -78000 ekin = 1.96983919523053 | erot = 1.93099842937087 | epot = -22.3443846506838 | etot = -18.4435470260824 -79000 ekin = 1.95938649015133 | erot = 1.8681062699457 | epot = -22.2942796582417 | etot = -18.4667868981447 -80000 ekin = 2.0811750227726 | erot = 1.51004106283058 | epot = -22.2616445282531 | etot = -18.6704284426499 -81000 ekin = 2.12565876638706 | erot = 1.68774361309031 | epot = -22.2503002969457 | etot = -18.4368979174683 -82000 ekin = 2.1024876598191 | erot = 1.68162562422027 | epot = -22.2731769674722 | etot = -18.4890636834328 -83000 ekin = 2.1444849861566 | erot = 1.81975712217529 | epot = -22.3046718958779 | etot = -18.340429787546 -84000 ekin = 2.13258101148062 | erot = 2.02922410781373 | epot = -22.3428808393217 | etot = -18.1810757200273 -85000 ekin = 2.08512493333097 | erot = 2.32083438054857 | epot = -22.3826539010023 | etot = -17.9766945871228 -86000 ekin = 2.17050776391446 | erot = 1.96275338625836 | epot = -22.422434182694 | etot = -18.2891730325212 -87000 ekin = 2.23989852600904 | erot = 2.23705181642096 | epot = -22.4705294491957 | etot = -17.9935791067657 -88000 ekin = 2.27467140557798 | erot = 2.15326395377648 | epot = -22.5135609707118 | etot = -18.0856256113573 -89000 ekin = 2.2884388908289 | erot = 2.12736799131715 | epot = -22.5645528135013 | etot = -18.1487459313552 -90000 ekin = 2.3033272403237 | erot = 2.29619358357564 | epot = -22.621069415243 | etot = -18.0215485913436 -91000 ekin = 2.3138100848518 | erot = 2.07740016205563 | epot = -22.6563472804759 | etot = -18.2651370335684 -92000 ekin = 2.37378013130099 | erot = 2.23716627480822 | epot = -22.6690655261851 | etot = -18.0581191200759 -93000 ekin = 2.26456629794217 | erot = 2.65755706511364 | epot = -22.6595495475479 | etot = -17.7374261844921 -94000 ekin = 2.27111991294101 | erot = 2.70843483649348 | epot = -22.6144390606054 | etot = -17.6348843111709 -95000 ekin = 2.16051509784257 | erot = 2.76861411098527 | epot = -22.5458959635298 | etot = -17.616766754702 -96000 ekin = 2.1362268433284 | erot = 3.00618377960114 | epot = -22.4457322783083 | etot = -17.3033216553787 -97000 ekin = 2.07419989457636 | erot = 2.65264916199277 | epot = -22.3153975468029 | etot = -17.5885484902338 -98000 ekin = 2.11485220649783 | erot = 2.62887211771617 | epot = -22.2055031918166 | etot = -17.4617788676026 -99000 ekin = 2.14284693208913 | erot = 2.66222856414638 | epot = -22.1106632337977 | etot = -17.3055877375622 -100000 ekin = 2.17308341836636 | erot = 2.09482283074188 | epot = -22.0437085040349 | etot = -17.7758022549266 -101000 ekin = 2.14866231805612 | erot = 2.3881976475087 | epot = -22.0122713210887 | etot = -17.4754113555239 -102000 ekin = 2.1649362923898 | erot = 2.64896606924408 | epot = -22.0210513992314 | etot = -17.2071490375976 -103000 ekin = 2.15114511690188 | erot = 2.56525012972741 | epot = -22.0652696455725 | etot = -17.3488743989432 -104000 ekin = 2.15671515638217 | erot = 2.62706983245371 | epot = -22.142181166657 | etot = -17.3583961778211 -105000 ekin = 2.12719541152379 | erot = 2.65706885533819 | epot = -22.2143972740325 | etot = -17.4301330071705 -106000 ekin = 2.13774707721056 | erot = 2.76654607800848 | epot = -22.2775634673613 | etot = -17.3732703121422 -107000 ekin = 2.20102004108532 | erot = 2.66823836970966 | epot = -22.3043515122749 | etot = -17.4350931014799 -108000 ekin = 2.17638500145526 | erot = 2.80828381708582 | epot = -22.3097186034589 | etot = -17.3250497849178 -109000 ekin = 2.19829684637003 | erot = 2.90666104596412 | epot = -22.282790113145 | etot = -17.1778322208108 -110000 ekin = 2.17152588755631 | erot = 2.81646086297862 | epot = -22.2246380567944 | etot = -17.2366513062595 -111000 ekin = 2.15373436462637 | erot = 2.45540077609876 | epot = -22.1236900284647 | etot = -17.5145548877395 -112000 ekin = 2.13686027678985 | erot = 2.53611388444162 | epot = -21.9714471685636 | etot = -17.2984730073321 -113000 ekin = 2.14753928432329 | erot = 2.38847611973764 | epot = -21.7866419003017 | etot = -17.2506264962408 -114000 ekin = 2.12631244931889 | erot = 2.25317215555341 | epot = -21.597846256073 | etot = -17.2183616512007 -115000 ekin = 2.10651342910361 | erot = 2.32111327425019 | epot = -21.410641403265 | etot = -16.9830146999112 -116000 ekin = 2.05857214689192 | erot = 2.34273379327714 | epot = -21.2543641951759 | etot = -16.8530582550068 -117000 ekin = 2.06082171760153 | erot = 2.29311267774743 | epot = -21.1252553707804 | etot = -16.7713209754314 -118000 ekin = 2.07134223704072 | erot = 2.26440570108468 | epot = -21.0201100762215 | etot = -16.6843621380961 -119000 ekin = 2.06457225589944 | erot = 1.93952258456726 | epot = -20.9769994108551 | etot = -16.9729045703884 -120000 ekin = 2.11859853404644 | erot = 1.85164657615887 | epot = -20.9836901114861 | etot = -17.0134450012808 -121000 ekin = 2.16647853751432 | erot = 2.33645973353314 | epot = -21.0297394121119 | etot = -16.5268011410645 -122000 ekin = 2.26904266267134 | erot = 2.41049986821532 | epot = -21.1056070652399 | etot = -16.4260645343533 -123000 ekin = 2.21420535468727 | erot = 2.31638894325139 | epot = -21.1806353306487 | etot = -16.65004103271 -124000 ekin = 2.25664202990655 | erot = 2.58640626588698 | epot = -21.2735600007685 | etot = -16.430511704975 -125000 ekin = 2.28621615469871 | erot = 2.48741243437901 | epot = -21.3367034039803 | etot = -16.5630748149025 -126000 ekin = 2.35529670025454 | erot = 2.6837186250083 | epot = -21.3743088823659 | etot = -16.3352935571031 -127000 ekin = 2.31727265883063 | erot = 2.65927495810814 | epot = -21.3864411166439 | etot = -16.4098934997051 -128000 ekin = 2.43349491835552 | erot = 2.48790131465765 | epot = -21.3667639128876 | etot = -16.4453676798745 -129000 ekin = 2.39675815548546 | erot = 2.10710860946288 | epot = -21.3539228728259 | etot = -16.8500561078776 -130000 ekin = 2.41755439047179 | erot = 1.81077952884569 | epot = -21.3548853564729 | etot = -17.1265514371554 -131000 ekin = 2.40648552369042 | erot = 1.77591735253046 | epot = -21.357420397669 | etot = -17.1750175214481 -132000 ekin = 2.40897764408259 | erot = 1.73059846772819 | epot = -21.3537520189403 | etot = -17.2141759071295 -133000 ekin = 2.37448540151599 | erot = 1.85880466212908 | epot = -21.3533218886589 | etot = -17.1200318250139 -134000 ekin = 2.3579677683218 | erot = 2.06779644045359 | epot = -21.3551168402505 | etot = -16.9293526314751 -135000 ekin = 2.32265431042311 | erot = 2.18050776639558 | epot = -21.3445924581616 | etot = -16.8414303813429 -136000 ekin = 2.26143919660737 | erot = 2.06564627363215 | epot = -21.3331599119329 | etot = -17.0060744416934 -137000 ekin = 2.23396906090401 | erot = 2.26473864092839 | epot = -21.3170510126768 | etot = -16.8183433108444 -138000 ekin = 2.25323790872614 | erot = 2.21298196842978 | epot = -21.3256388087683 | etot = -16.8594189316124 -139000 ekin = 2.35354475362117 | erot = 2.11114514997112 | epot = -21.4066516687638 | etot = -16.9419617651715 -140000 ekin = 2.31521381923616 | erot = 2.26671366611819 | epot = -21.499592330951 | etot = -16.9176648455967 -141000 ekin = 2.3344689024326 | erot = 2.24585605770329 | epot = -21.5117862025252 | etot = -16.9314612423893 -142000 ekin = 2.33661695709296 | erot = 1.9937796333313 | epot = -21.5249788887692 | etot = -17.194582298345 -143000 ekin = 2.35917698394981 | erot = 1.78177229585739 | epot = -21.5633348907868 | etot = -17.4223856109796 -144000 ekin = 2.41193656560918 | erot = 1.85068539007334 | epot = -21.619056918118 | etot = -17.3564349624355 -145000 ekin = 2.50328391189512 | erot = 1.97991868781718 | epot = -21.662761532947 | etot = -17.1795589332347 -146000 ekin = 2.5250108653161 | erot = 1.94890179310183 | epot = -21.7158596570763 | etot = -17.2419469986583 -147000 ekin = 2.55047937715164 | erot = 1.85137728928148 | epot = -21.7917365034045 | etot = -17.3898798369714 -148000 ekin = 2.52990172449131 | erot = 2.00218673263755 | epot = -21.8973033212464 | etot = -17.3652148641175 -149000 ekin = 2.47322709286655 | erot = 2.00142069560524 | epot = -22.0256184185784 | etot = -17.5509706301066 -150000 ekin = 2.55997956203431 | erot = 2.04181533809328 | epot = -22.1371239984733 | etot = -17.5353290983457 -151000 ekin = 2.44470695881366 | erot = 2.34031071867532 | epot = -22.2527174105275 | etot = -17.4676997330385 -152000 ekin = 2.44475737305755 | erot = 2.26076754628983 | epot = -22.3351232248324 | etot = -17.6295983054851 -153000 ekin = 2.46166206744186 | erot = 2.1789456139199 | epot = -22.3636879590955 | etot = -17.7230802777338 -154000 ekin = 2.49242904735514 | erot = 2.18959276990457 | epot = -22.3683882355897 | etot = -17.68636641833 -155000 ekin = 2.44328722883251 | erot = 2.13628761933908 | epot = -22.3356925905993 | etot = -17.7561177424278 -156000 ekin = 2.45031007040228 | erot = 2.26271751825021 | epot = -22.2682169791441 | etot = -17.5551893904916 -157000 ekin = 2.46907480878159 | erot = 1.93271915185538 | epot = -22.2160752580763 | etot = -17.8142812974393 -158000 ekin = 2.47549100134271 | erot = 1.8913430375128 | epot = -22.1750861634873 | etot = -17.8082521246318 -159000 ekin = 2.44378132199958 | erot = 1.82517595680759 | epot = -22.1335445885752 | etot = -17.8645873097681 -160000 ekin = 2.35644874685036 | erot = 1.85678861125786 | epot = -22.1078628335995 | etot = -17.8946254754913 -161000 ekin = 2.4417535709772 | erot = 2.14888928050335 | epot = -22.103198749515 | etot = -17.5125558980345 -162000 ekin = 2.46554036240857 | erot = 2.05333880369388 | epot = -22.1046164027322 | etot = -17.5857372366298 -163000 ekin = 2.36847802529576 | erot = 2.16987713772667 | epot = -22.1331210722205 | etot = -17.5947659091981 -164000 ekin = 2.31295455944026 | erot = 2.18879772052573 | epot = -22.1887776544463 | etot = -17.6870253744803 -165000 ekin = 2.37278415235397 | erot = 2.59415671104248 | epot = -22.2691581335389 | etot = -17.3022172701424 -166000 ekin = 2.45715177025092 | erot = 2.91759661846337 | epot = -22.3489659308412 | etot = -16.9742175421269 -167000 ekin = 2.52772481698543 | erot = 2.9570776047498 | epot = -22.4233688575489 | etot = -16.9385664358137 -168000 ekin = 2.38117634975369 | erot = 2.66863240829495 | epot = -22.4863077773177 | etot = -17.4364990192691 -169000 ekin = 2.37442003008251 | erot = 3.02523535510253 | epot = -22.552454463073 | etot = -17.152799077888 -170000 ekin = 2.35912346263696 | erot = 3.26723708493098 | epot = -22.593146241002 | etot = -16.9667856934341 -171000 ekin = 2.30318527402304 | erot = 3.1461628260988 | epot = -22.6090060092427 | etot = -17.1596579091209 -172000 ekin = 2.27403162918126 | erot = 3.03566839385154 | epot = -22.5926818968564 | etot = -17.2829818738236 -173000 ekin = 2.2834164296892 | erot = 3.07205239473261 | epot = -22.5825638558609 | etot = -17.2270950314391 -174000 ekin = 2.32458116486048 | erot = 3.00979281518584 | epot = -22.5948442115046 | etot = -17.2604702314582 -175000 ekin = 2.28314539624396 | erot = 2.68632336807992 | epot = -22.6176552757189 | etot = -17.6481865113951 -176000 ekin = 2.39450710620724 | erot = 2.64107287395718 | epot = -22.666704154903 | etot = -17.6311241747386 -177000 ekin = 2.34061737024885 | erot = 2.84587683178904 | epot = -22.7367147797006 | etot = -17.5502205776627 -178000 ekin = 2.37612348031832 | erot = 3.01155432501134 | epot = -22.8363255725677 | etot = -17.4486477672381 -179000 ekin = 2.44543239233026 | erot = 2.86468226567411 | epot = -22.9489860454759 | etot = -17.6388713874715 -180000 ekin = 2.43660202081819 | erot = 2.76977637853851 | epot = -23.0553980647268 | etot = -17.8490196653701 -181000 ekin = 2.48112579799584 | erot = 2.6278391417024 | epot = -23.1486576952531 | etot = -18.0396927555549 -182000 ekin = 2.49495772650969 | erot = 2.42192837677025 | epot = -23.2214385077914 | etot = -18.3045524045115 -183000 ekin = 2.64232135835023 | erot = 2.1668960319534 | epot = -23.2638526717323 | etot = -18.4546352814286 -184000 ekin = 2.60197203740134 | erot = 2.23382360906442 | epot = -23.2818965049629 | etot = -18.4461008584971 -185000 ekin = 2.57711189972532 | erot = 2.46016697006766 | epot = -23.3003293492567 | etot = -18.2630504794637 -186000 ekin = 2.52186177988769 | erot = 2.57013836767131 | epot = -23.3067390551247 | etot = -18.2147389075657 -187000 ekin = 2.50245214010174 | erot = 2.79417927414277 | epot = -23.296163562981 | etot = -17.9995321487365 -188000 ekin = 2.46480838237784 | erot = 3.04604077517096 | epot = -23.2499789204155 | etot = -17.7391297628667 -189000 ekin = 2.30511335916365 | erot = 2.75740516208191 | epot = -23.1747970843816 | etot = -18.112278563136 -190000 ekin = 2.21392698297074 | erot = 2.71955696974834 | epot = -23.0904117080344 | etot = -18.1569277553154 -191000 ekin = 2.16967810266251 | erot = 2.75919231540811 | epot = -23.0140192997739 | etot = -18.0851488817033 -192000 ekin = 1.98382084286039 | erot = 3.03429574416023 | epot = -22.9329314753771 | etot = -17.9148148883565 -193000 ekin = 1.85970667375617 | erot = 2.92182615510931 | epot = -22.8656246963103 | etot = -18.0840918674448 -194000 ekin = 1.7929696680452 | erot = 2.88349607002168 | epot = -22.8222401649263 | etot = -18.1457744268594 -195000 ekin = 1.64582813172132 | erot = 2.50667314432813 | epot = -22.7522033865826 | etot = -18.5997021105331 -196000 ekin = 1.60167277963843 | erot = 2.38989177939812 | epot = -22.6637097277974 | etot = -18.6721451687609 -197000 ekin = 1.71167813407961 | erot = 2.09589007853646 | epot = -22.5747312796685 | etot = -18.7671630670524 -198000 ekin = 1.64776254765037 | erot = 1.92608890072777 | epot = -22.4842649258583 | etot = -18.9104134774802 -199000 ekin = 1.65621021226673 | erot = 2.21876596478776 | epot = -22.4280470542139 | etot = -18.5530708771594 -200000 ekin = 1.68396557470048 | erot = 2.18851360029564 | epot = -22.379280294039 | etot = -18.5068011190429 -201000 ekin = 1.58452256050709 | erot = 2.76907779285238 | epot = -22.3014443905324 | etot = -17.947844037173 -202000 ekin = 1.54321939213116 | erot = 2.44655962102429 | epot = -22.2136540120258 | etot = -18.2238749988704 -203000 ekin = 1.49527423056762 | erot = 2.44440846517496 | epot = -22.1231335789825 | etot = -18.1834508832399 -204000 ekin = 1.42525079936429 | erot = 2.83745592867446 | epot = -22.0409614513841 | etot = -17.7782547233454 -205000 ekin = 1.42978422295414 | erot = 2.95341773064219 | epot = -21.9571851603537 | etot = -17.5739832067574 -206000 ekin = 1.36049778309753 | erot = 2.83549996707323 | epot = -21.8974335725846 | etot = -17.7014358224139 -207000 ekin = 1.29887157812385 | erot = 3.03783363013878 | epot = -21.8430515160584 | etot = -17.5063463077957 -208000 ekin = 1.34341544648364 | erot = 3.11373358018431 | epot = -21.785603235413 | etot = -17.3284542087451 -209000 ekin = 1.37014771279219 | erot = 2.91335961336075 | epot = -21.7135808557959 | etot = -17.430073529643 -210000 ekin = 1.42476756889871 | erot = 2.89331189478046 | epot = -21.5850142544311 | etot = -17.266934790752 -211000 ekin = 1.34927361868026 | erot = 2.68288143618382 | epot = -21.4400426672499 | etot = -17.4078876123858 -212000 ekin = 1.49128069580886 | erot = 2.70604382180407 | epot = -21.2914762616263 | etot = -17.0941517440134 -213000 ekin = 1.59986466327346 | erot = 2.65822930237652 | epot = -21.1410448576725 | etot = -16.8829508920225 -214000 ekin = 1.57570953317267 | erot = 2.79629927670805 | epot = -20.9904223688205 | etot = -16.6184135589398 -215000 ekin = 1.63256105235979 | erot = 2.69597024855494 | epot = -20.8601256454146 | etot = -16.5315943444999 -216000 ekin = 1.67064385264714 | erot = 2.44739930798252 | epot = -20.7555716480124 | etot = -16.6375284873828 -217000 ekin = 1.6218880063798 | erot = 2.4330555728333 | epot = -20.722413328212 | etot = -16.6674697489989 -218000 ekin = 1.64606636901744 | erot = 2.6486981466189 | epot = -20.7502510322013 | etot = -16.4554865165649 -219000 ekin = 1.70353414409848 | erot = 2.7997221130251 | epot = -20.7845992910567 | etot = -16.2813430339331 -220000 ekin = 1.74880022179254 | erot = 2.64905074347643 | epot = -20.8396457684431 | etot = -16.4417948031742 -221000 ekin = 1.81236487768043 | erot = 2.93669133915737 | epot = -20.9499015869694 | etot = -16.2008453701316 -222000 ekin = 1.84649161859346 | erot = 2.85287175773866 | epot = -21.0927343336169 | etot = -16.3933709572848 -223000 ekin = 1.87441660338485 | erot = 2.96311764811085 | epot = -21.2564885593178 | etot = -16.4189543078221 -224000 ekin = 2.09907785839491 | erot = 2.75433402152825 | epot = -21.424818361708 | etot = -16.5714064817849 -225000 ekin = 2.30010533938626 | erot = 2.67454361218699 | epot = -21.6008171170612 | etot = -16.626168165488 -226000 ekin = 2.42689725101242 | erot = 2.70736025408607 | epot = -21.7515066872426 | etot = -16.6172491821441 -227000 ekin = 2.54895929165975 | erot = 2.79460739709118 | epot = -21.8741313055212 | etot = -16.5305646167702 -228000 ekin = 2.61677978890097 | erot = 2.79388359916086 | epot = -21.973054308316 | etot = -16.5623909202542 -229000 ekin = 2.63216772040856 | erot = 2.92346177925235 | epot = -22.0307357525402 | etot = -16.4751062528793 -230000 ekin = 2.5839048934589 | erot = 2.87686964533646 | epot = -22.0461245567339 | etot = -16.5853500179385 -231000 ekin = 2.66188078761018 | erot = 2.60162661808963 | epot = -22.018684895378 | etot = -16.7551774896782 -232000 ekin = 2.65841421937248 | erot = 2.58950084967971 | epot = -21.952644801982 | etot = -16.7047297329298 -233000 ekin = 2.67013502535659 | erot = 2.39334157985991 | epot = -21.8593772977147 | etot = -16.7959006924982 -234000 ekin = 2.55687226826836 | erot = 2.28743657262082 | epot = -21.7196048549653 | etot = -16.8752960140761 -235000 ekin = 2.40908240211927 | erot = 2.18856718834604 | epot = -21.5568246763415 | etot = -16.9591750858762 -236000 ekin = 2.45296495728484 | erot = 1.73228998399397 | epot = -21.3990016680231 | etot = -17.2137467267443 -237000 ekin = 2.45647675573889 | erot = 1.55838299475438 | epot = -21.2711453873861 | etot = -17.2562856368928 -238000 ekin = 2.45085948587454 | erot = 1.73357194764423 | epot = -21.1889221126865 | etot = -17.0044906791677 -239000 ekin = 2.46602609451848 | erot = 1.90065188676585 | epot = -21.1667563196057 | etot = -16.8000783383214 -240000 ekin = 2.33796945986663 | erot = 2.10011736609371 | epot = -21.1933792884248 | etot = -16.7552924624644 -241000 ekin = 2.44155086640152 | erot = 2.5294221893795 | epot = -21.2654521458311 | etot = -16.29447909005 -242000 ekin = 2.43726026146458 | erot = 2.56189785799922 | epot = -21.3596468217686 | etot = -16.3604887023048 -243000 ekin = 2.38527720170858 | erot = 2.92483517968789 | epot = -21.4476955876487 | etot = -16.1375832062522 -244000 ekin = 2.43305152134978 | erot = 3.13030199682037 | epot = -21.5253542662412 | etot = -15.9620007480711 -245000 ekin = 2.34248058405609 | erot = 3.39654754017994 | epot = -21.5746719384285 | etot = -15.8356438141925 -246000 ekin = 2.22203010313987 | erot = 3.24539512103698 | epot = -21.6102612139387 | etot = -16.1428359897618 -247000 ekin = 2.18161414825905 | erot = 3.17708625003437 | epot = -21.6121017617732 | etot = -16.2534013634798 -248000 ekin = 2.14786027857325 | erot = 2.93493583442535 | epot = -21.5821175301772 | etot = -16.4993214171786 -249000 ekin = 2.1154622560351 | erot = 2.65676577989616 | epot = -21.5328260462557 | etot = -16.7605980103245 -250000 ekin = 2.08258254452502 | erot = 2.51278109177547 | epot = -21.4612192152785 | etot = -16.865855578978 -251000 ekin = 1.9742489487821 | erot = 2.34806738759138 | epot = -21.3923428532783 | etot = -17.0700265169048 -252000 ekin = 1.97048808369653 | erot = 1.99115759882276 | epot = -21.3271316585964 | etot = -17.3654859760771 -253000 ekin = 2.01408243379402 | erot = 2.32755027924622 | epot = -21.2782132891156 | etot = -16.9365805760754 -254000 ekin = 2.08055003788165 | erot = 1.89671800228147 | epot = -21.2526263857113 | etot = -17.2753583455482 -255000 ekin = 2.03693196256138 | erot = 2.07777286412284 | epot = -21.2590218685809 | etot = -17.1443170418967 -256000 ekin = 2.09443852502217 | erot = 1.93072997337288 | epot = -21.2924018193625 | etot = -17.2672333209674 -257000 ekin = 2.15892268396657 | erot = 1.80542946186159 | epot = -21.3549991612159 | etot = -17.3906470153878 -258000 ekin = 2.1798553186145 | erot = 1.78899461221362 | epot = -21.4290810676498 | etot = -17.4602311368217 -259000 ekin = 2.21879481100383 | erot = 2.00042152481931 | epot = -21.5156859416456 | etot = -17.2964696058224 -260000 ekin = 2.23230781087046 | erot = 1.92469119981206 | epot = -21.5739218213471 | etot = -17.4169228106646 -261000 ekin = 2.20725422443418 | erot = 1.95063112971748 | epot = -21.6226626065193 | etot = -17.4647772523677 -262000 ekin = 2.25364220587794 | erot = 1.86806956106358 | epot = -21.6606203978347 | etot = -17.5389086308931 -263000 ekin = 2.2745191124411 | erot = 1.88576182425897 | epot = -21.6707355563004 | etot = -17.5104546196004 -264000 ekin = 2.31743274100675 | erot = 1.89043794607679 | epot = -21.6658367619932 | etot = -17.4579660749097 -265000 ekin = 2.34289229985179 | erot = 2.08595197099475 | epot = -21.6767978216757 | etot = -17.2479535508292 -266000 ekin = 2.3899300653484 | erot = 2.06541078395747 | epot = -21.7067349964001 | etot = -17.2513941470942 -267000 ekin = 2.42913514053661 | erot = 1.90515845127833 | epot = -21.753771867194 | etot = -17.419478275379 -268000 ekin = 2.56337406000812 | erot = 1.92623756183675 | epot = -21.8331768183362 | etot = -17.3435651964914 -269000 ekin = 2.61168966394753 | erot = 1.99189529087478 | epot = -21.8974804447422 | etot = -17.2938954899199 -270000 ekin = 2.53639435963122 | erot = 2.18070434963339 | epot = -21.9584187694417 | etot = -17.2413200601771 -271000 ekin = 2.4730499948757 | erot = 2.35836713203746 | epot = -21.9991923760468 | etot = -17.1677752491337 -272000 ekin = 2.47073160362048 | erot = 2.18239415020589 | epot = -22.0193810519899 | etot = -17.3662552981635 -273000 ekin = 2.4161128868233 | erot = 2.11264062363061 | epot = -22.0447361710736 | etot = -17.5159826606197 -274000 ekin = 2.33309205622036 | erot = 2.12677358473247 | epot = -22.0456863660978 | etot = -17.585820725145 -275000 ekin = 2.25325149778063 | erot = 2.19345346449468 | epot = -21.9873759762878 | etot = -17.5406710140125 -276000 ekin = 2.11579900114214 | erot = 2.01180248953933 | epot = -21.8981479929511 | etot = -17.7705465022696 -277000 ekin = 2.01204365222986 | erot = 1.98722100035167 | epot = -21.7960888645598 | etot = -17.7968242119783 -278000 ekin = 1.94141858256029 | erot = 2.28521819509401 | epot = -21.7113859217473 | etot = -17.484749144093 -279000 ekin = 1.83792081872222 | erot = 2.29363129336714 | epot = -21.6511613802402 | etot = -17.5196092681508 -280000 ekin = 1.73807918416876 | erot = 2.50531944195154 | epot = -21.648860900744 | etot = -17.4054622746237 -281000 ekin = 1.73432743109903 | erot = 2.683788200705 | epot = -21.6510875258494 | etot = -17.2329718940453 -282000 ekin = 1.707454359447 | erot = 2.4631171643996 | epot = -21.702633188471 | etot = -17.5320616646244 -283000 ekin = 1.60185741540726 | erot = 2.73972949535758 | epot = -21.788969309387 | etot = -17.4473823986222 -284000 ekin = 1.45656966763948 | erot = 3.08718988751344 | epot = -21.9109766986028 | etot = -17.3672171434499 -285000 ekin = 1.52336397324818 | erot = 3.2348904453559 | epot = -22.0771348239222 | etot = -17.3188804053181 -286000 ekin = 1.52886747117867 | erot = 3.26500488671026 | epot = -22.2419806366669 | etot = -17.4481082787779 -287000 ekin = 1.5582725813792 | erot = 3.2185398289023 | epot = -22.374580622938 | etot = -17.5977682126565 -288000 ekin = 1.62221220393018 | erot = 3.11944065317502 | epot = -22.4753647550739 | etot = -17.7337118979687 -289000 ekin = 1.67251771955046 | erot = 2.53263586427446 | epot = -22.5286401037665 | etot = -18.3234865199416 -290000 ekin = 1.79922183320689 | erot = 2.60060797838013 | epot = -22.5663935494002 | etot = -18.1665637378131 -291000 ekin = 1.83910683599856 | erot = 2.21931974991974 | epot = -22.5984502564983 | etot = -18.54002367058 -292000 ekin = 1.94895219984002 | erot = 2.13471584079355 | epot = -22.6223121384565 | etot = -18.538644097823 -293000 ekin = 2.00848212838241 | erot = 2.19116654326673 | epot = -22.6334508938888 | etot = -18.4338022222397 -294000 ekin = 2.10559198417458 | erot = 1.93202707864297 | epot = -22.6586912703106 | etot = -18.621072207493 -295000 ekin = 2.21769154753229 | erot = 1.88155097269452 | epot = -22.7095788430016 | etot = -18.6103363227748 -296000 ekin = 2.33458415024603 | erot = 2.23498610265731 | epot = -22.7640278342614 | etot = -18.194457581358 -297000 ekin = 2.42885632292099 | erot = 1.96776290060609 | epot = -22.8238447137232 | etot = -18.4272254901961 -298000 ekin = 2.55470243764224 | erot = 2.23334330823264 | epot = -22.9186285858852 | etot = -18.1305828400103 -299000 ekin = 2.66453185837133 | erot = 2.34987058034008 | epot = -23.0168248151099 | etot = -18.0024223763984 -300000 ekin = 2.72119699302726 | erot = 2.29170874462634 | epot = -23.0901056634069 | etot = -18.0771999257533 -301000 ekin = 2.81586193114734 | erot = 2.13213339022162 | epot = -23.149588375443 | etot = -18.201593054074 -302000 ekin = 2.91520994762752 | erot = 1.88276051696952 | epot = -23.1915517299788 | etot = -18.3935812653817 -303000 ekin = 3.00910392441911 | erot = 1.95969044044558 | epot = -23.2200453504935 | etot = -18.2512509856288 -304000 ekin = 3.09252107593619 | erot = 1.62524026936747 | epot = -23.2362247506591 | etot = -18.5184634053554 -305000 ekin = 3.1833332778338 | erot = 1.64710767299387 | epot = -23.239688077863 | etot = -18.4092471270354 -306000 ekin = 3.2303852450878 | erot = 1.86572791579381 | epot = -23.2226722815321 | etot = -18.1265591206505 -307000 ekin = 3.17553918919359 | erot = 2.33048974790649 | epot = -23.1930577755999 | etot = -17.6870288384998 -308000 ekin = 3.05565196722448 | erot = 2.12851261980202 | epot = -23.1373688624437 | etot = -17.9532042754172 -309000 ekin = 3.06886265684594 | erot = 2.25716457141468 | epot = -23.0626811521325 | etot = -17.7366539238719 -310000 ekin = 2.9103478785017 | erot = 2.45832048654341 | epot = -23.0039736316974 | etot = -17.6353052666523 -311000 ekin = 2.80209798482117 | erot = 2.69963602433988 | epot = -22.9644587572484 | etot = -17.4627247480874 -312000 ekin = 2.89133577486401 | erot = 2.91057311416267 | epot = -22.9280382115917 | etot = -17.126129322565 -313000 ekin = 2.85188593774383 | erot = 2.64756099113599 | epot = -22.9072517674229 | etot = -17.407804838543 -314000 ekin = 2.78595369543557 | erot = 2.70015943474038 | epot = -22.9231273154874 | etot = -17.4370141853114 -315000 ekin = 2.80274029888226 | erot = 2.58977766570975 | epot = -22.9544686180923 | etot = -17.5619506535003 -316000 ekin = 2.813169306106 | erot = 2.690980071203 | epot = -22.9778084391862 | etot = -17.4736590618772 -317000 ekin = 2.92747042873583 | erot = 2.60588706069162 | epot = -22.9662401312089 | etot = -17.4328826417815 -318000 ekin = 2.92235999955154 | erot = 2.47590791759842 | epot = -22.9395079234944 | etot = -17.5412400063444 -319000 ekin = 2.95294558428538 | erot = 2.3284695967344 | epot = -22.8862142058975 | etot = -17.6047990248777 -320000 ekin = 2.96034320260985 | erot = 1.96132462322065 | epot = -22.8325608441835 | etot = -17.910893018353 -321000 ekin = 3.0506123149284 | erot = 1.60256900115906 | epot = -22.772967562217 | etot = -18.1197862461295 -322000 ekin = 3.06917008169216 | erot = 1.78242384845949 | epot = -22.7183310735853 | etot = -17.8667371434336 -323000 ekin = 3.01773744699203 | erot = 1.54792296048673 | epot = -22.6793347879489 | etot = -18.1136743804701 -324000 ekin = 3.00480822228189 | erot = 1.41906862436133 | epot = -22.6494390826941 | etot = -18.2255622360509 -325000 ekin = 2.89783034430742 | erot = 1.53330273244741 | epot = -22.6175860707657 | etot = -18.1864529940109 -326000 ekin = 2.86411015648574 | erot = 1.46437933803489 | epot = -22.5787186521105 | etot = -18.2502291575898 -327000 ekin = 2.85311531697693 | erot = 1.58696821581913 | epot = -22.5591982819074 | etot = -18.1191147491114 -328000 ekin = 2.86747144026835 | erot = 1.74413948970463 | epot = -22.5408974569852 | etot = -17.9292865270122 -329000 ekin = 2.78611224528675 | erot = 1.59178805962542 | epot = -22.4940152398142 | etot = -18.116114934902 -330000 ekin = 2.69317692812656 | erot = 1.77728472427356 | epot = -22.4199575472595 | etot = -17.9494958948593 -331000 ekin = 2.66550770553878 | erot = 1.86897796248965 | epot = -22.3262951615913 | etot = -17.7918094935629 -332000 ekin = 2.46548011243441 | erot = 1.78639997747238 | epot = -22.2432651292252 | etot = -17.9913850393184 -333000 ekin = 2.38707429510573 | erot = 1.88540525492875 | epot = -22.1912828165259 | etot = -17.9188032664914 -334000 ekin = 2.29842323367102 | erot = 1.91569547244919 | epot = -22.1605657807781 | etot = -17.9464470746579 -335000 ekin = 2.14328705611339 | erot = 1.93351743363534 | epot = -22.1267428568705 | etot = -18.0499383671218 -336000 ekin = 2.17230386456881 | erot = 1.84213347788928 | epot = -22.0906093676853 | etot = -18.0761720252272 -337000 ekin = 2.12998408141727 | erot = 1.61504892612904 | epot = -22.0362365245474 | etot = -18.2912035170011 -338000 ekin = 2.22344100551942 | erot = 1.68131888644304 | epot = -21.9914967299633 | etot = -18.0867368380009 -339000 ekin = 2.17397763598077 | erot = 2.04937445475364 | epot = -21.9399664944352 | etot = -17.7166144037008 -340000 ekin = 2.20074652018761 | erot = 2.20161688813948 | epot = -21.9270463566988 | etot = -17.5246829483717 -341000 ekin = 2.27511078184159 | erot = 2.29314361762764 | epot = -21.9408735448824 | etot = -17.3726191454131 -342000 ekin = 2.23496832750093 | erot = 2.5650510125349 | epot = -21.9730675845141 | etot = -17.1730482444783 -343000 ekin = 2.14180809724111 | erot = 2.97675645193248 | epot = -21.9956779914414 | etot = -16.8771134422678 -344000 ekin = 2.2126707016694 | erot = 2.22143192231864 | epot = -22.0021896006045 | etot = -17.5680869766165 -345000 ekin = 2.33078283444873 | erot = 2.24242604297012 | epot = -22.0150204126161 | etot = -17.4418115351973 -346000 ekin = 2.34407159811759 | erot = 1.99201495775972 | epot = -22.0385016930848 | etot = -17.7024151372075 -347000 ekin = 2.44088137371613 | erot = 2.12531879806797 | epot = -22.0618508546084 | etot = -17.4956506828243 -348000 ekin = 2.64914602526481 | erot = 2.46233252053011 | epot = -22.0937551106248 | etot = -16.9822765648299 -349000 ekin = 2.74052569579419 | erot = 2.4858891328714 | epot = -22.1113349203141 | etot = -16.8849200916485 -350000 ekin = 2.63009093889651 | erot = 2.96194682397752 | epot = -22.1188176550615 | etot = -16.5267798921874 -351000 ekin = 2.58934992266496 | erot = 2.87704347850333 | epot = -22.1025806281002 | etot = -16.6361872269319 -352000 ekin = 2.54228487046017 | erot = 2.63361513807469 | epot = -22.065268676535 | etot = -16.8893686680001 -353000 ekin = 2.53249364323764 | erot = 2.47221948070281 | epot = -22.0318641173349 | etot = -17.0271509933945 -354000 ekin = 2.56206560144996 | erot = 2.34662515218724 | epot = -22.0126143901227 | etot = -17.1039236364855 -355000 ekin = 2.53151865050983 | erot = 2.41130529481779 | epot = -21.9989758809428 | etot = -17.0561519356152 -356000 ekin = 2.38856942051675 | erot = 2.45957154153164 | epot = -21.9929238390888 | etot = -17.1447828770405 -357000 ekin = 2.38503185044981 | erot = 2.38151023524621 | epot = -22.0040942348338 | etot = -17.2375521491378 -358000 ekin = 2.44758512950039 | erot = 2.71803579945338 | epot = -22.0072561961475 | etot = -16.8416352671937 -359000 ekin = 2.3851668843951 | erot = 2.57286490732325 | epot = -21.9670271651235 | etot = -17.0089953734051 -360000 ekin = 2.33663079544644 | erot = 2.56848564652217 | epot = -21.9181648411088 | etot = -17.0130483991401 -361000 ekin = 2.42677922379477 | erot = 2.37500774993747 | epot = -21.8672713761356 | etot = -17.0654844024033 -362000 ekin = 2.4605364062406 | erot = 2.49590481611229 | epot = -21.7779995387158 | etot = -16.8215583163629 -363000 ekin = 2.55310738370223 | erot = 2.17768318633137 | epot = -21.677682077902 | etot = -16.9468915078684 -364000 ekin = 2.5678010972577 | erot = 2.16474191665875 | epot = -21.5533633280085 | etot = -16.820820314092 -365000 ekin = 2.59901975131882 | erot = 1.7140989302114 | epot = -21.4252112523553 | etot = -17.1120925708251 -366000 ekin = 2.80245009247369 | erot = 1.4404838150693 | epot = -21.311596587106 | etot = -17.068662679563 -367000 ekin = 2.85134090040924 | erot = 1.61253537083183 | epot = -21.2054965437889 | etot = -16.7416202725478 -368000 ekin = 3.00720175661758 | erot = 1.37649145802376 | epot = -21.1143147590192 | etot = -16.7306215443779 -369000 ekin = 3.02782850583644 | erot = 1.29964512201192 | epot = -21.0456750388441 | etot = -16.7182014109957 -370000 ekin = 2.96718136039109 | erot = 1.45830059090196 | epot = -20.9956751371928 | etot = -16.5701931858997 -371000 ekin = 2.97398053523892 | erot = 1.26453322843172 | epot = -20.9819115867117 | etot = -16.743397823041 -372000 ekin = 2.93284410498 | erot = 1.41224205422984 | epot = -20.9908796563722 | etot = -16.6457934971623 -373000 ekin = 2.8879003401046 | erot = 1.42564554966125 | epot = -21.0338923993971 | etot = -16.7203465096313 -374000 ekin = 2.82344708085634 | erot = 1.62526123419932 | epot = -21.0946345683056 | etot = -16.64592625325 -375000 ekin = 2.90481916892106 | erot = 1.7464206770586 | epot = -21.2008783966461 | etot = -16.5496385506664 -376000 ekin = 2.84134799892063 | erot = 1.87675422092541 | epot = -21.3649261105941 | etot = -16.6468238907481 -377000 ekin = 2.86364799078503 | erot = 1.93393380949078 | epot = -21.5406268140671 | etot = -16.7430450137913 -378000 ekin = 2.90483004895234 | erot = 2.17252781549633 | epot = -21.7155346442898 | etot = -16.6381767798411 -379000 ekin = 2.88650755861751 | erot = 1.96118442992086 | epot = -21.8538626049789 | etot = -17.0061706164405 -380000 ekin = 2.88651329834471 | erot = 2.08410077478119 | epot = -21.9401095058162 | etot = -16.9694954326903 -381000 ekin = 2.84108364234484 | erot = 2.3660240689464 | epot = -21.98104394619 | etot = -16.7739362348987 -382000 ekin = 2.65581712933813 | erot = 2.32549072457596 | epot = -21.9604472596473 | etot = -16.9791394057332 -383000 ekin = 2.66697103963098 | erot = 2.19715446258958 | epot = -21.8997743494525 | etot = -17.035648847232 -384000 ekin = 2.71347175798896 | erot = 2.0860453579752 | epot = -21.8256490214726 | etot = -17.0261319055084 -385000 ekin = 2.58866272891295 | erot = 2.07169637253233 | epot = -21.758827765026 | etot = -17.0984686635807 -386000 ekin = 2.61416908347388 | erot = 2.1240237822152 | epot = -21.727589058865 | etot = -16.9893961931759 -387000 ekin = 2.703733725349 | erot = 2.21149248908629 | epot = -21.7114203261748 | etot = -16.7961941117395 -388000 ekin = 2.7497838323679 | erot = 2.03622128721578 | epot = -21.7171286702608 | etot = -16.9311235506772 -389000 ekin = 2.75876151313239 | erot = 2.35914494269186 | epot = -21.7195350651328 | etot = -16.6016286093086 -390000 ekin = 2.87281151326072 | erot = 2.14919283772489 | epot = -21.7092098874033 | etot = -16.6872055364177 -391000 ekin = 2.88070946214033 | erot = 2.15553640701987 | epot = -21.7308938242006 | etot = -16.6946479550404 -392000 ekin = 2.85350413424024 | erot = 1.95551148082617 | epot = -21.7800211133378 | etot = -16.9710054982714 -393000 ekin = 2.90295298668554 | erot = 2.00031478831757 | epot = -21.8483879920452 | etot = -16.9451202170421 -394000 ekin = 2.87980364418038 | erot = 2.13854428764088 | epot = -21.9278910355293 | etot = -16.9095431037081 -395000 ekin = 2.89980834808641 | erot = 2.27975081097518 | epot = -22.0016489908306 | etot = -16.822089831769 -396000 ekin = 2.9360557483404 | erot = 2.2875622150139 | epot = -22.0837193562733 | etot = -16.860101392919 -397000 ekin = 2.80779171295693 | erot = 2.19257867663261 | epot = -22.1878285992745 | etot = -17.187458209685 -398000 ekin = 2.65560496560025 | erot = 2.63286768292198 | epot = -22.2927014267369 | etot = -17.0042287782147 -399000 ekin = 2.7083129997789 | erot = 2.28957359120755 | epot = -22.4133968187077 | etot = -17.4155102277212 -400000 ekin = 2.62631472682178 | erot = 2.32258453004909 | epot = -22.5144474162181 | etot = -17.5655481593472 -401000 ekin = 2.61084599477582 | erot = 2.5915842232174 | epot = -22.6219132294947 | etot = -17.4194830115015 -402000 ekin = 2.63588590320108 | erot = 2.77714471535845 | epot = -22.726497935138 | etot = -17.3134673165785 -403000 ekin = 2.57124299169012 | erot = 2.91857224360648 | epot = -22.7998184812978 | etot = -17.3100032460012 -404000 ekin = 2.64669440558072 | erot = 2.93356467106652 | epot = -22.8394282855354 | etot = -17.2591692088882 -405000 ekin = 2.63136962603962 | erot = 3.04830494377458 | epot = -22.8811547071106 | etot = -17.2014801372964 -406000 ekin = 2.57687330940515 | erot = 2.89269043406019 | epot = -22.8904487120534 | etot = -17.420884968588 -407000 ekin = 2.56184489605048 | erot = 3.0869265673611 | epot = -22.8853592595439 | etot = -17.2365877961323 -408000 ekin = 2.54127249851751 | erot = 3.17601770471237 | epot = -22.9006717760475 | etot = -17.1833815728176 -409000 ekin = 2.53459046783756 | erot = 3.13623300199206 | epot = -22.8968640693002 | etot = -17.2260405994706 -410000 ekin = 2.51587421571662 | erot = 3.14201699757386 | epot = -22.9150990085739 | etot = -17.2572077952835 -411000 ekin = 2.42964978573949 | erot = 3.32305144355808 | epot = -22.950164108708 | etot = -17.1974628794104 -412000 ekin = 2.36687843567492 | erot = 3.32855044296013 | epot = -22.9956786711899 | etot = -17.3002497925549 -413000 ekin = 2.32867643693121 | erot = 3.02147909460693 | epot = -23.0359443059235 | etot = -17.6857887743854 -414000 ekin = 2.25152604494466 | erot = 3.14866247342447 | epot = -23.0379850078344 | etot = -17.6377964894653 -415000 ekin = 2.14860234477144 | erot = 3.14281806599387 | epot = -23.0168097112442 | etot = -17.7253893004789 -416000 ekin = 2.13327753923941 | erot = 2.78190144921923 | epot = -22.9549412646377 | etot = -18.0397622761791 -417000 ekin = 2.07867029653697 | erot = 2.63891364632696 | epot = -22.8771697337527 | etot = -18.1595857908887 -418000 ekin = 2.0150349708746 | erot = 2.48786384280144 | epot = -22.7881812529125 | etot = -18.2852824392364 -419000 ekin = 1.93436445840322 | erot = 2.56473142390303 | epot = -22.7122209786172 | etot = -18.213125096311 -420000 ekin = 1.86691051963017 | erot = 2.37316247804236 | epot = -22.6636441048361 | etot = -18.4235711071636 -421000 ekin = 1.8667725624874 | erot = 2.32313827929402 | epot = -22.6187875829574 | etot = -18.428876741176 -422000 ekin = 1.8200582415809 | erot = 2.55465763559262 | epot = -22.5903542114936 | etot = -18.2156383343201 -423000 ekin = 1.85196925130418 | erot = 2.59745988234307 | epot = -22.5868190893395 | etot = -18.1373899556923 -424000 ekin = 1.87511106269032 | erot = 2.36649086179865 | epot = -22.5883508404773 | etot = -18.3467489159883 -425000 ekin = 1.85448962199789 | erot = 2.3591233455441 | epot = -22.5825697876888 | etot = -18.3689568201468 -426000 ekin = 1.93877126287082 | erot = 2.34047239554888 | epot = -22.5855644966028 | etot = -18.3063208381831 -427000 ekin = 1.98667133587004 | erot = 2.21434059237444 | epot = -22.6165038624104 | etot = -18.4154919341659 -428000 ekin = 2.06633462219177 | erot = 2.46308595042552 | epot = -22.6536305130781 | etot = -18.1242099404608 -429000 ekin = 2.06647569478212 | erot = 2.85029146170665 | epot = -22.6734202786044 | etot = -17.7566531221156 -430000 ekin = 2.02119030876797 | erot = 3.03581181603967 | epot = -22.6592821074028 | etot = -17.6022799825951 -431000 ekin = 1.92940982496923 | erot = 3.125674796042 | epot = -22.6051004098154 | etot = -17.5500157888042 -432000 ekin = 1.98926835887576 | erot = 2.96897634192392 | epot = -22.5090519549375 | etot = -17.5508072541379 -433000 ekin = 2.04143073246114 | erot = 2.85215225860714 | epot = -22.3406443583776 | etot = -17.4470613673093 -434000 ekin = 2.05565692829913 | erot = 2.95627927317631 | epot = -22.1000056035569 | etot = -17.0880694020814 -435000 ekin = 2.08432405496736 | erot = 2.68419048003187 | epot = -21.8308353279849 | etot = -17.0623207929857 -436000 ekin = 2.12772749840182 | erot = 2.84173548840778 | epot = -21.5604223141965 | etot = -16.5909593273869 -437000 ekin = 2.04468233985804 | erot = 2.51892636169328 | epot = -21.3171953647822 | etot = -16.7535866632309 -438000 ekin = 2.04330796733059 | erot = 2.25039837644734 | epot = -21.1104661155377 | etot = -16.8167597717598 -439000 ekin = 2.1303450962371 | erot = 2.34282002521722 | epot = -20.9455910272725 | etot = -16.4724259058182 -440000 ekin = 2.19070367254264 | erot = 2.15029144838855 | epot = -20.8316849257311 | etot = -16.4906898047999 -441000 ekin = 2.18523324344632 | erot = 2.14329639955493 | epot = -20.7742603417167 | etot = -16.4457306987154 -442000 ekin = 2.35525341099367 | erot = 2.33073585925573 | epot = -20.792107801297 | etot = -16.1061185310476 -443000 ekin = 2.42381848947187 | erot = 2.29410897800853 | epot = -20.8510039080529 | etot = -16.1330764405725 -444000 ekin = 2.58327001521848 | erot = 2.2555040393805 | epot = -20.9496740359511 | etot = -16.1108999813521 -445000 ekin = 2.74914318766607 | erot = 2.36474125562136 | epot = -21.0902773104291 | etot = -15.9763928671417 -446000 ekin = 2.75866465553895 | erot = 2.51903536478372 | epot = -21.2771375903941 | etot = -15.9994375700714 -447000 ekin = 2.81341929589966 | erot = 2.61543912233437 | epot = -21.4943223583148 | etot = -16.0654639400807 -448000 ekin = 2.98791449212409 | erot = 2.68601572134495 | epot = -21.6882416455897 | etot = -16.0143114321207 -449000 ekin = 3.02989562281076 | erot = 2.59921391657428 | epot = -21.8625805167009 | etot = -16.2334709773159 -450000 ekin = 3.0758419338981 | erot = 2.74644112742609 | epot = -21.997728414517 | etot = -16.1754453531928 -451000 ekin = 3.1732510322311 | erot = 2.71318685835058 | epot = -22.0826869675359 | etot = -16.1962490769543 -452000 ekin = 3.26804429580701 | erot = 2.87778182303269 | epot = -22.0906838053159 | etot = -15.9448576864762 -453000 ekin = 3.27357354113463 | erot = 2.70771602218257 | epot = -22.009345068552 | etot = -16.0280555052348 -454000 ekin = 3.19461395199184 | erot = 2.6448969266276 | epot = -21.8896212815603 | etot = -16.0501104029409 -455000 ekin = 3.06934448991755 | erot = 2.52112023723157 | epot = -21.7581228733757 | etot = -16.1676581462265 -456000 ekin = 3.00870709873354 | erot = 2.69030125753166 | epot = -21.6192081822489 | etot = -15.9201998259837 -457000 ekin = 2.77721648981712 | erot = 2.81809494378998 | epot = -21.5044838205097 | etot = -15.9091723869026 -458000 ekin = 2.72192779143867 | erot = 2.81327589912996 | epot = -21.3991411950549 | etot = -15.8639375044863 -459000 ekin = 2.66716160346742 | erot = 2.91218722489636 | epot = -21.3056824262503 | etot = -15.7263335978865 -460000 ekin = 2.61631308900579 | erot = 2.72088150404094 | epot = -21.2125642789402 | etot = -15.8753696858935 -461000 ekin = 2.52111486337738 | erot = 2.61083643510198 | epot = -21.1320849455672 | etot = -16.0001336470878 -462000 ekin = 2.35496729961946 | erot = 2.53585610998176 | epot = -21.0535223021749 | etot = -16.1626988925736 -463000 ekin = 2.2439343318321 | erot = 2.51761943073272 | epot = -21.0230425923881 | etot = -16.2614888298233 -464000 ekin = 2.1626457562572 | erot = 2.67496242735603 | epot = -21.0323536551491 | etot = -16.1947454715359 -465000 ekin = 2.12337820037341 | erot = 2.82456556368787 | epot = -21.0880254572834 | etot = -16.1400816932221 -466000 ekin = 2.04496236125005 | erot = 2.74204868129271 | epot = -21.1490905898125 | etot = -16.3620795472697 -467000 ekin = 2.0707620645862 | erot = 2.74539024720618 | epot = -21.2150241645281 | etot = -16.3988718527357 -468000 ekin = 2.08250457485156 | erot = 2.4940100588542 | epot = -21.2895135595468 | etot = -16.712998925841 -469000 ekin = 2.11940107816891 | erot = 2.73165603901951 | epot = -21.3555553713497 | etot = -16.5044982541612 -470000 ekin = 2.27554500930735 | erot = 2.57556168280453 | epot = -21.4121284090537 | etot = -16.5610217169418 -471000 ekin = 2.21149846213409 | erot = 2.49207243095059 | epot = -21.4357320520247 | etot = -16.73216115894 -472000 ekin = 2.13757463851149 | erot = 2.31011730813796 | epot = -21.4380116997287 | etot = -16.9903197530793 -473000 ekin = 2.06821493877588 | erot = 2.26850039282583 | epot = -21.4114781960853 | etot = -17.0747628644836 -474000 ekin = 1.96490547218375 | erot = 2.35563819582063 | epot = -21.3522336688369 | etot = -17.0316900008326 -475000 ekin = 1.94558586419879 | erot = 2.10680745423894 | epot = -21.2548130597364 | etot = -17.2024197412987 -476000 ekin = 1.94190624501475 | erot = 2.16513825042938 | epot = -21.159554468915 | etot = -17.0525099734709 -477000 ekin = 1.99924367094377 | erot = 1.80803378013927 | epot = -21.0628461625389 | etot = -17.2555687114559 -478000 ekin = 1.89989927585438 | erot = 1.77183940189893 | epot = -20.9920693922243 | etot = -17.320330714471 -479000 ekin = 1.84520242098747 | erot = 1.66369715226449 | epot = -20.9431976611348 | etot = -17.4342980878828 -480000 ekin = 1.78395227007269 | erot = 1.62380842243988 | epot = -20.9116440658475 | etot = -17.503883373335 -481000 ekin = 1.80711393748078 | erot = 1.45108120724281 | epot = -20.8998091956538 | etot = -17.6416140509303 -482000 ekin = 1.83485472728802 | erot = 1.58991315613704 | epot = -20.9502956349549 | etot = -17.5255277515298 -483000 ekin = 1.74714650944526 | erot = 2.06533056940214 | epot = -21.0598264029401 | etot = -17.2473493240927 -484000 ekin = 1.8057186887513 | erot = 2.45785513658366 | epot = -21.2268132327393 | etot = -16.9632394074044 -485000 ekin = 1.97685842465673 | erot = 2.60360246547727 | epot = -21.4062901266652 | etot = -16.8258292365312 -486000 ekin = 2.06309847922677 | erot = 2.90380547812245 | epot = -21.5894655607393 | etot = -16.6225616033901 -487000 ekin = 2.19649216659994 | erot = 2.81883409927294 | epot = -21.7360008549519 | etot = -16.7206745890791 -488000 ekin = 2.27235435120772 | erot = 3.21078167833795 | epot = -21.8710028956712 | etot = -16.3878668661256 -489000 ekin = 2.3636591616528 | erot = 2.98148333833798 | epot = -21.9731809770875 | etot = -16.6280384770967 -490000 ekin = 2.4636557224321 | erot = 3.03413636977543 | epot = -22.0415730890951 | etot = -16.5437809968876 -491000 ekin = 2.48043066028413 | erot = 2.95353817719114 | epot = -22.0882801530733 | etot = -16.654311315598 -492000 ekin = 2.43187986853069 | erot = 2.81942197452466 | epot = -22.1316786946073 | etot = -16.880376851552 -493000 ekin = 2.43297707751461 | erot = 3.13501618675316 | epot = -22.1516877815832 | etot = -16.5836945173154 -494000 ekin = 2.4354773700696 | erot = 3.224943833042 | epot = -22.1277792873507 | etot = -16.4673580842391 -495000 ekin = 2.44131017621637 | erot = 3.14764944977806 | epot = -22.079810722608 | etot = -16.4908510966136 -496000 ekin = 2.44929786442212 | erot = 3.00103698197392 | epot = -22.0029286492464 | etot = -16.5525938028503 -497000 ekin = 2.4280734272358 | erot = 2.78818041326617 | epot = -21.8989958230258 | etot = -16.6827419825238 -498000 ekin = 2.43232675717266 | erot = 2.78563195522793 | epot = -21.7990677062028 | etot = -16.5811089938022 -499000 ekin = 2.39683774655007 | erot = 2.52204743265467 | epot = -21.6970829564495 | etot = -16.7781977772448 -500000 ekin = 2.39561357167997 | erot = 2.04914490208487 | epot = -21.6057727183573 | etot = -17.1610142445925 -501000 ekin = 2.49011062220811 | erot = 2.09141321522323 | epot = -21.5560066661711 | etot = -16.9744828287398 -502000 ekin = 2.50365744754297 | erot = 2.10420254833234 | epot = -21.5549657901239 | etot = -16.9471057942486 -503000 ekin = 2.50788240480049 | erot = 2.30709919674968 | epot = -21.6015443787762 | etot = -16.786562777226 -504000 ekin = 2.42370070726357 | erot = 1.84999363757419 | epot = -21.6380109735029 | etot = -17.3643166286652 -505000 ekin = 2.35874834855526 | erot = 2.14636862503864 | epot = -21.6689774661098 | etot = -17.1638604925159 -506000 ekin = 2.26228062582635 | erot = 2.45377485636132 | epot = -21.7153954382918 | etot = -16.9993399561042 -507000 ekin = 2.13919237077154 | erot = 2.50319755000149 | epot = -21.7581761618781 | etot = -17.1157862411051 -508000 ekin = 2.14831373874063 | erot = 3.06092132482214 | epot = -21.7763037427622 | etot = -16.5670686791994 -509000 ekin = 2.05180259764867 | erot = 3.39029610338365 | epot = -21.7760035853532 | etot = -16.3339048843209 -510000 ekin = 2.04381464635437 | erot = 3.61253858305498 | epot = -21.7386277737472 | etot = -16.0822745443378 -511000 ekin = 2.05816959569127 | erot = 3.102136513493 | epot = -21.6883623768063 | etot = -16.528056267622 -512000 ekin = 1.92422822548484 | erot = 2.7926385451771 | epot = -21.6550102347612 | etot = -16.9381434640992 -513000 ekin = 2.02050703596267 | erot = 2.71259548634819 | epot = -21.6549051178158 | etot = -16.921802595505 -514000 ekin = 2.07581905977924 | erot = 2.32467594776647 | epot = -21.6655568342184 | etot = -17.2650618266727 -515000 ekin = 2.08477825623489 | erot = 2.59404540183174 | epot = -21.7265307260937 | etot = -17.0477070680271 -516000 ekin = 2.15812359163726 | erot = 2.69267871008878 | epot = -21.8093937590779 | etot = -16.9585914573518 -517000 ekin = 2.13934962382501 | erot = 2.8436528571905 | epot = -21.9032983411413 | etot = -16.9202958601258 -518000 ekin = 2.20591925285869 | erot = 3.12936446615959 | epot = -22.0120787399692 | etot = -16.6767950209509 -519000 ekin = 2.26634159461371 | erot = 3.09465064893055 | epot = -22.1371864066217 | etot = -16.7761941630775 -520000 ekin = 2.33395232089093 | erot = 3.1670786380661 | epot = -22.2618368300502 | etot = -16.7608058710932 -521000 ekin = 2.37443913996459 | erot = 2.84321493552062 | epot = -22.3608681173471 | etot = -17.1432140418619 -522000 ekin = 2.38014534564443 | erot = 2.71344764130118 | epot = -22.4471285851328 | etot = -17.3535355981872 -523000 ekin = 2.43082426163801 | erot = 2.87118432179588 | epot = -22.5347499952688 | etot = -17.2327414118349 -524000 ekin = 2.56081842163085 | erot = 3.05550273097475 | epot = -22.6100687346066 | etot = -16.993747582001 -525000 ekin = 2.5595327185846 | erot = 2.67513220891039 | epot = -22.6739874644372 | etot = -17.4393225369422 -526000 ekin = 2.59958209030967 | erot = 2.95738463024345 | epot = -22.7033728209714 | etot = -17.1464061004182 -527000 ekin = 2.52409384361546 | erot = 2.89851026515111 | epot = -22.7152196639493 | etot = -17.2926155551827 -528000 ekin = 2.5793534980762 | erot = 2.86931301300845 | epot = -22.7061100878872 | etot = -17.2574435768025 -529000 ekin = 2.54499132301732 | erot = 3.03033580941359 | epot = -22.6577883790845 | etot = -17.0824612466536 -530000 ekin = 2.37583920711473 | erot = 3.07767101681233 | epot = -22.5498147001084 | etot = -17.0963044761814 -531000 ekin = 2.28423424660353 | erot = 2.99538223189526 | epot = -22.4172244060315 | etot = -17.1376079275327 -532000 ekin = 2.1109280228991 | erot = 2.62650535715256 | epot = -22.2554156639846 | etot = -17.517982283933 -533000 ekin = 2.07823067751594 | erot = 2.60462012944303 | epot = -22.0829115643989 | etot = -17.4000607574399 -534000 ekin = 2.08976309920187 | erot = 2.60045035336435 | epot = -21.9117889556571 | etot = -17.2215755030909 -535000 ekin = 2.03320809614292 | erot = 2.53673993181132 | epot = -21.7263132935396 | etot = -17.1563652655854 -536000 ekin = 1.97106365765638 | erot = 2.35170112588149 | epot = -21.571809644199 | etot = -17.2490448606611 -537000 ekin = 1.85757994043342 | erot = 2.10009393160123 | epot = -21.4673782965335 | etot = -17.5097044244988 -538000 ekin = 1.82596102898874 | erot = 2.13846192719764 | epot = -21.398373431854 | etot = -17.4339504756676 -539000 ekin = 1.73881232516788 | erot = 2.4948493136435 | epot = -21.3425267679342 | etot = -17.1088651291228 -540000 ekin = 1.67447223010825 | erot = 2.77285924634643 | epot = -21.271659054413 | etot = -16.8243275779583 -541000 ekin = 1.69990418580809 | erot = 2.88110182550566 | epot = -21.1962442587827 | etot = -16.615238247469 -542000 ekin = 1.7111365749696 | erot = 2.75900359073003 | epot = -21.1355976616677 | etot = -16.665457495968 -543000 ekin = 1.78866852977452 | erot = 2.71660471692181 | epot = -21.0866732693155 | etot = -16.5814000226192 -544000 ekin = 1.77181782019774 | erot = 2.32877176942813 | epot = -21.0413457588297 | etot = -16.9407561692039 -545000 ekin = 1.7866779339122 | erot = 2.11448637898461 | epot = -21.0004042884457 | etot = -17.0992399755488 -546000 ekin = 1.85376909065287 | erot = 1.89612518110716 | epot = -20.9731062289206 | etot = -17.2232119571606 -547000 ekin = 1.88607623839212 | erot = 1.6712325505803 | epot = -20.9706093546519 | etot = -17.4133005656795 -548000 ekin = 1.90991638455396 | erot = 1.78815489997996 | epot = -20.9683934987357 | etot = -17.2703222142018 -549000 ekin = 1.93154736700941 | erot = 1.83109029837903 | epot = -20.9876899630384 | etot = -17.22505229765 -550000 ekin = 1.99815580980645 | erot = 1.56054958425452 | epot = -21.0360042320961 | etot = -17.4772988380352 -551000 ekin = 2.06223281194893 | erot = 1.82140531055406 | epot = -21.10997931596 | etot = -17.226341193457 -552000 ekin = 2.19995559126134 | erot = 1.93328987912251 | epot = -21.1805106953399 | etot = -17.0472652249561 -553000 ekin = 2.16476612655663 | erot = 2.18848299832304 | epot = -21.2339007238649 | etot = -16.8806515989852 -554000 ekin = 2.19253395809327 | erot = 1.99269602147233 | epot = -21.3216202633274 | etot = -17.1363902837618 -555000 ekin = 2.30423346281242 | erot = 1.75126691279982 | epot = -21.4340368938555 | etot = -17.3785365182433 -556000 ekin = 2.45212673301272 | erot = 2.39109930640492 | epot = -21.5725172133448 | etot = -16.7292911739272 -557000 ekin = 2.55511582944017 | erot = 2.60632466872841 | epot = -21.7241981903448 | etot = -16.5627576921762 -558000 ekin = 2.67318624692484 | erot = 2.43046608161984 | epot = -21.8811108747503 | etot = -16.7774585462056 -559000 ekin = 2.79102973560968 | erot = 2.67538733153562 | epot = -22.037855387448 | etot = -16.5714383203027 -560000 ekin = 2.9183792158121 | erot = 2.68572428538362 | epot = -22.1492797858931 | etot = -16.5451762846974 -561000 ekin = 2.81692468047697 | erot = 2.70423444900948 | epot = -22.216487219322 | etot = -16.6953280898356 -562000 ekin = 2.76503975841347 | erot = 2.53761848613789 | epot = -22.2442970633447 | etot = -16.9416388187934 -563000 ekin = 2.65825040724883 | erot = 2.71023439088357 | epot = -22.243221823098 | etot = -16.8747370249656 -564000 ekin = 2.64808423454302 | erot = 2.7031533075073 | epot = -22.2101649946185 | etot = -16.8589274525682 -565000 ekin = 2.56520347515872 | erot = 2.51222337320364 | epot = -22.1609166692024 | etot = -17.08348982084 -566000 ekin = 2.49797853328213 | erot = 1.95572936802152 | epot = -22.1122925054564 | etot = -17.6585846041527 -567000 ekin = 2.54792607074833 | erot = 1.85729033385336 | epot = -22.0797419433029 | etot = -17.6745255387012 -568000 ekin = 2.60591444007081 | erot = 1.83755900710587 | epot = -22.0644073196267 | etot = -17.6209338724501 -569000 ekin = 2.62362305667703 | erot = 2.09101698674206 | epot = -22.0262950849346 | etot = -17.3116550415156 -570000 ekin = 2.59966130338224 | erot = 1.8528357789039 | epot = -21.9852976772882 | etot = -17.5328005950021 -571000 ekin = 2.57696065480236 | erot = 2.10053443453254 | epot = -21.9714910967201 | etot = -17.2939960073852 -572000 ekin = 2.6199221152626 | erot = 2.3592960436722 | epot = -21.9659339101478 | etot = -16.986715751213 -573000 ekin = 2.80765379250703 | erot = 2.64066236878634 | epot = -21.9992362601246 | etot = -16.5509200988312 -574000 ekin = 2.77886407527571 | erot = 2.38672398638113 | epot = -22.0653999532901 | etot = -16.8998118916333 -575000 ekin = 2.68662185812297 | erot = 2.33286464853949 | epot = -22.1404382955663 | etot = -17.1209517889038 -576000 ekin = 2.71580008212145 | erot = 2.47248086928771 | epot = -22.2173146829094 | etot = -17.0290337315003 -577000 ekin = 2.7302158927818 | erot = 2.52068341312541 | epot = -22.2907564203192 | etot = -17.039857114412 -578000 ekin = 2.73054357573016 | erot = 2.55784953441613 | epot = -22.3560478485211 | etot = -17.0676547383748 -579000 ekin = 2.66821624836572 | erot = 2.41812757787305 | epot = -22.3944025993856 | etot = -17.3080587731468 -580000 ekin = 2.67666651361969 | erot = 2.37337561149781 | epot = -22.397039042447 | etot = -17.3469969173295 -581000 ekin = 2.50777332809615 | erot = 2.18045458374933 | epot = -22.3739113390257 | etot = -17.6856834271802 -582000 ekin = 2.40279105318935 | erot = 1.89859122534185 | epot = -22.3216073421081 | etot = -18.0202250635769 -583000 ekin = 2.31269263220149 | erot = 1.73074513088278 | epot = -22.2573140454874 | etot = -18.2138762824031 -584000 ekin = 2.21239433549753 | erot = 1.75290221167389 | epot = -22.2111149411394 | etot = -18.245818393968 -585000 ekin = 2.15356855038317 | erot = 1.75180079977016 | epot = -22.229356241441 | etot = -18.3239868912877 -586000 ekin = 2.10262413841983 | erot = 1.85113983993476 | epot = -22.2792098403955 | etot = -18.3254458620409 -587000 ekin = 2.13288374468826 | erot = 2.20890667221802 | epot = -22.3055082909211 | etot = -17.9637178740148 -588000 ekin = 2.14862689118336 | erot = 2.25138259268979 | epot = -22.2976262267036 | etot = -17.8976167428305 -589000 ekin = 2.04435421027859 | erot = 2.19255127415926 | epot = -22.2575972691454 | etot = -18.0206917847075 -590000 ekin = 1.97499579795968 | erot = 2.18955821954235 | epot = -22.1946880982516 | etot = -18.0301340807496 -591000 ekin = 1.91372986676051 | erot = 2.00143608804042 | epot = -22.0969708781104 | etot = -18.1818049233094 -592000 ekin = 1.90759584087294 | erot = 1.75955547353146 | epot = -22.0003759984159 | etot = -18.3332246840115 -593000 ekin = 1.85491418079517 | erot = 1.82471441354122 | epot = -21.8971191196321 | etot = -18.2174905252957 -594000 ekin = 1.80279616325907 | erot = 1.89197043010803 | epot = -21.7918103226298 | etot = -18.0970437292627 -595000 ekin = 1.73140057218467 | erot = 1.88940188632509 | epot = -21.6714819005053 | etot = -18.0506794419956 -596000 ekin = 1.66362739557022 | erot = 2.08459374164569 | epot = -21.5484728514112 | etot = -17.8002517141953 -597000 ekin = 1.58837419642024 | erot = 2.25218931046815 | epot = -21.4300614484294 | etot = -17.589497941541 -598000 ekin = 1.51530311364937 | erot = 2.10564447814208 | epot = -21.3454884805721 | etot = -17.7245408887807 -599000 ekin = 1.51205618459762 | erot = 2.59561573346759 | epot = -21.3001794349542 | etot = -17.192507516889 -600000 ekin = 1.42420860787937 | erot = 2.66872977571286 | epot = -21.2831261175835 | etot = -17.1901877339913 -601000 ekin = 1.41614052584482 | erot = 2.71409841098203 | epot = -21.2819425817443 | etot = -17.1517036449175 -602000 ekin = 1.39716919100115 | erot = 2.88098133874131 | epot = -21.2738817162066 | etot = -16.9957311864642 -603000 ekin = 1.35362959397705 | erot = 2.47699104027329 | epot = -21.2686606294832 | etot = -17.4380399952329 -604000 ekin = 1.30109941785313 | erot = 2.37915588297075 | epot = -21.2782162294354 | etot = -17.5979609286115 -605000 ekin = 1.33474102107266 | erot = 2.45818083278442 | epot = -21.3160026412609 | etot = -17.5230807874038 -606000 ekin = 1.29920725195382 | erot = 2.42086336903897 | epot = -21.3751929493918 | etot = -17.655122328399 -607000 ekin = 1.23411371003043 | erot = 2.51322970316868 | epot = -21.4519931649193 | etot = -17.7046497517202 -608000 ekin = 1.22186321044676 | erot = 2.5311041555214 | epot = -21.5178918639285 | etot = -17.7649244979604 -609000 ekin = 1.29545020421435 | erot = 2.63039876861612 | epot = -21.5664820555065 | etot = -17.6406330826761 -610000 ekin = 1.32833269788911 | erot = 2.69742481429433 | epot = -21.6042752567674 | etot = -17.5785177445839 -611000 ekin = 1.37555485576615 | erot = 2.44250786358881 | epot = -21.6325158720208 | etot = -17.8144531526659 -612000 ekin = 1.43492266332471 | erot = 2.48338158304032 | epot = -21.6301768868774 | etot = -17.7118726405124 -613000 ekin = 1.45874940730907 | erot = 2.24888080699412 | epot = -21.6206823260948 | etot = -17.9130521117916 -614000 ekin = 1.55936377690334 | erot = 2.20987492911103 | epot = -21.5983529263265 | etot = -17.8291142203122 -615000 ekin = 1.65618793567257 | erot = 2.06571861106629 | epot = -21.5839674847187 | etot = -17.8620609379798 -616000 ekin = 1.69323202132181 | erot = 2.4207923919525 | epot = -21.5767246732272 | etot = -17.4627002599529 -617000 ekin = 1.68010177617046 | erot = 2.37299975949563 | epot = -21.5796207721198 | etot = -17.5265192364537 -618000 ekin = 1.82463445029578 | erot = 2.21376210856707 | epot = -21.5858855133937 | etot = -17.5474889545309 -619000 ekin = 1.82457061205234 | erot = 2.1371769710369 | epot = -21.608601217417 | etot = -17.6468536343277 -620000 ekin = 1.90243298129558 | erot = 2.02639928769549 | epot = -21.6453403015349 | etot = -17.7165080325438 -621000 ekin = 2.0007105481323 | erot = 2.00740169333777 | epot = -21.6932983622015 | etot = -17.6851861207314 -622000 ekin = 2.06294983283403 | erot = 2.33338027747366 | epot = -21.747610545892 | etot = -17.3512804355843 -623000 ekin = 2.16886474013683 | erot = 2.34052136367666 | epot = -21.8030581053771 | etot = -17.2936720015636 -624000 ekin = 2.27472643943783 | erot = 2.06709867004471 | epot = -21.8339575931653 | etot = -17.4921324836828 -625000 ekin = 2.44743468020662 | erot = 1.92194449605304 | epot = -21.8528539423019 | etot = -17.4834747660422 -626000 ekin = 2.6254852196294 | erot = 1.89145499927505 | epot = -21.8798709040072 | etot = -17.3629306851027 -627000 ekin = 2.68150434400643 | erot = 2.0842888332754 | epot = -21.9107134797365 | etot = -17.1449203024547 -628000 ekin = 2.74903675678073 | erot = 1.99441751232753 | epot = -21.9473456387959 | etot = -17.2038913696877 -629000 ekin = 2.86146526790743 | erot = 1.88649666651194 | epot = -21.9845526009193 | etot = -17.2365906664999 -630000 ekin = 2.97219747359781 | erot = 1.94159826713921 | epot = -21.9956245597357 | etot = -17.0818288189987 -631000 ekin = 3.02655709138838 | erot = 1.98612431446979 | epot = -21.9867324807638 | etot = -16.9740510749056 -632000 ekin = 2.89242823961396 | erot = 2.07813215947651 | epot = -21.9871217882287 | etot = -17.0165613891382 -633000 ekin = 2.89559354591988 | erot = 2.04782477805542 | epot = -21.9766614082668 | etot = -17.0332430842915 -634000 ekin = 2.83247679377595 | erot = 2.13051755362208 | epot = -21.9597388170748 | etot = -16.9967444696767 -635000 ekin = 2.63710074800464 | erot = 2.23426349035993 | epot = -21.9715274348462 | etot = -17.1001631964816 -636000 ekin = 2.58412863450159 | erot = 2.48166310505774 | epot = -21.9758376025019 | etot = -16.9100458629426 -637000 ekin = 2.48413021154122 | erot = 3.05163678747143 | epot = -21.9559270975241 | etot = -16.4201600985115 -638000 ekin = 2.41845843253208 | erot = 3.18487359706662 | epot = -21.9218182691583 | etot = -16.3184862395596 -639000 ekin = 2.41474442997057 | erot = 3.07946799577796 | epot = -21.8601538104457 | etot = -16.3659413846972 -640000 ekin = 2.43888704755838 | erot = 3.19916726587376 | epot = -21.773260571449 | etot = -16.1352062580169 -641000 ekin = 2.33318464269148 | erot = 3.52964988306967 | epot = -21.6751385521709 | etot = -15.8123040264097 -642000 ekin = 2.29269127471833 | erot = 3.21459747812113 | epot = -21.5762475219901 | etot = -16.0689587691506 -643000 ekin = 2.2000927150324 | erot = 3.27121474420553 | epot = -21.4712567460628 | etot = -15.9999492868249 -644000 ekin = 2.12761393014637 | erot = 3.26891111731326 | epot = -21.3483627077497 | etot = -15.9518376602901 -645000 ekin = 2.14283359918393 | erot = 3.15969008283745 | epot = -21.2132518657603 | etot = -15.9107281837389 -646000 ekin = 2.06396314958936 | erot = 3.0937199947276 | epot = -21.1127434027894 | etot = -15.9550602584725 -647000 ekin = 2.09494506011006 | erot = 3.01853693183347 | epot = -21.0393545332665 | etot = -15.925872541323 -648000 ekin = 2.04196638106979 | erot = 2.9235470200276 | epot = -20.9985594175429 | etot = -16.0330460164456 -649000 ekin = 2.12312778485914 | erot = 2.76395475216335 | epot = -20.9701414537495 | etot = -16.083058916727 -650000 ekin = 2.10015809243625 | erot = 2.49008137666259 | epot = -20.9856777615303 | etot = -16.3954382924315 -651000 ekin = 2.17042975668772 | erot = 2.82094735385287 | epot = -21.0172459830262 | etot = -16.0258688724856 -652000 ekin = 2.09384051310247 | erot = 2.85582968797875 | epot = -21.0193054655956 | etot = -16.0696352645143 -653000 ekin = 2.04333185286073 | erot = 2.7789078304003 | epot = -21.0137769463715 | etot = -16.1915372631105 -654000 ekin = 2.08939824491288 | erot = 2.64655974106803 | epot = -20.9895202496122 | etot = -16.2535622636313 -655000 ekin = 2.04966047424265 | erot = 2.69502096883418 | epot = -20.9377501246659 | etot = -16.1930686815891 -656000 ekin = 2.01275055755516 | erot = 2.7954688131256 | epot = -20.8915125736499 | etot = -16.0832932029691 -657000 ekin = 2.03431712568968 | erot = 2.53773887631559 | epot = -20.8578047692318 | etot = -16.2857487672265 -658000 ekin = 2.0673538576767 | erot = 2.66675755014629 | epot = -20.8663643114319 | etot = -16.1322529036089 -659000 ekin = 2.06847583306457 | erot = 2.50326478566289 | epot = -20.8825165023748 | etot = -16.3107758836473 -660000 ekin = 2.07870932959682 | erot = 2.81447557231104 | epot = -20.9216042516442 | etot = -16.0284193497364 -661000 ekin = 2.19772022528386 | erot = 2.70676732599789 | epot = -20.955272489221 | etot = -16.0507849379392 -662000 ekin = 2.25232628384276 | erot = 2.75397596508084 | epot = -20.9799482828289 | etot = -15.9736460339053 -663000 ekin = 2.34038951099369 | erot = 2.81430750752421 | epot = -21.0068651854286 | etot = -15.8521681669107 -664000 ekin = 2.44930976235134 | erot = 2.91832446463371 | epot = -21.0209243921204 | etot = -15.6532901651354 -665000 ekin = 2.62422537382033 | erot = 3.05929629192749 | epot = -21.0148549044021 | etot = -15.3313332386542 -666000 ekin = 2.67000607831501 | erot = 3.11170707620175 | epot = -20.9818079036879 | etot = -15.2000947491711 -667000 ekin = 2.646914655505 | erot = 2.74197391498658 | epot = -20.9087124741424 | etot = -15.5198239036508 -668000 ekin = 2.62658511176452 | erot = 2.52395435462692 | epot = -20.7862996323554 | etot = -15.635760165964 -669000 ekin = 2.54613084896613 | erot = 2.35938084583991 | epot = -20.6443137124924 | etot = -15.7388020176863 -670000 ekin = 2.43931260869843 | erot = 2.38690789091365 | epot = -20.4714500069456 | etot = -15.6452295073335 -671000 ekin = 2.36289981273396 | erot = 2.15959347634236 | epot = -20.2658276701866 | etot = -15.7433343811103 -672000 ekin = 2.29106022746054 | erot = 2.06640999933942 | epot = -20.0256672427845 | etot = -15.6681970159846 -673000 ekin = 2.10231422621899 | erot = 1.9981861779267 | epot = -19.7891832406051 | etot = -15.6886828364594 -674000 ekin = 1.99734939649462 | erot = 1.85664304782852 | epot = -19.5650277424018 | etot = -15.7110352980787 -675000 ekin = 1.90857669053573 | erot = 1.65889203440048 | epot = -19.3811887348954 | etot = -15.8137200099592 -676000 ekin = 1.77298099338112 | erot = 1.83094376160153 | epot = -19.2510356435192 | etot = -15.6471108885365 -677000 ekin = 1.63736904978638 | erot = 1.99281479568097 | epot = -19.1448234704469 | etot = -15.5146396249795 -678000 ekin = 1.63864208730587 | erot = 2.08161035578926 | epot = -19.1055006884084 | etot = -15.3852482453133 -679000 ekin = 1.5528275154202 | erot = 2.3521751505234 | epot = -19.1160594043142 | etot = -15.2110567383706 -680000 ekin = 1.55994958081146 | erot = 2.581332640496 | epot = -19.1875667436096 | etot = -15.0462845223021 -681000 ekin = 1.47247027591493 | erot = 2.65144156511814 | epot = -19.2708019300332 | etot = -15.1468900890001 -682000 ekin = 1.5050631291314 | erot = 2.58308917381125 | epot = -19.376855112331 | etot = -15.2887028093883 -683000 ekin = 1.58124836058866 | erot = 2.16095218888017 | epot = -19.4911476852364 | etot = -15.7489471357676 -684000 ekin = 1.60010059600002 | erot = 2.67440743177681 | epot = -19.6181338883197 | etot = -15.3436258605429 -685000 ekin = 1.74893549928195 | erot = 2.6245807347796 | epot = -19.7359660896836 | etot = -15.362449855622 -686000 ekin = 1.76162153341746 | erot = 2.25978530691208 | epot = -19.8541116154906 | etot = -15.8327047751611 -687000 ekin = 1.82619229946474 | erot = 2.29432044590946 | epot = -19.9622292318976 | etot = -15.8417164865234 -688000 ekin = 1.86359828413875 | erot = 2.16944371769556 | epot = -20.0476865748926 | etot = -16.0146445730583 -689000 ekin = 1.93393905859066 | erot = 2.35498206852848 | epot = -20.1007195797137 | etot = -15.8117984525945 -690000 ekin = 1.97584813479927 | erot = 2.24522756497964 | epot = -20.1288568750727 | etot = -15.9077811752937 -691000 ekin = 1.98048868486388 | erot = 2.14627975778132 | epot = -20.1381110985234 | etot = -16.0113426558782 -692000 ekin = 2.07313460019169 | erot = 1.9800884819351 | epot = -20.1378652364601 | etot = -16.0846421543333 -693000 ekin = 2.19190306917338 | erot = 1.58910242480116 | epot = -20.1350957523476 | etot = -16.354090258373 -694000 ekin = 2.32090880385012 | erot = 1.61295927134746 | epot = -20.1314162689194 | etot = -16.1975481937218 -695000 ekin = 2.36874640002722 | erot = 1.59056066666412 | epot = -20.1380145179387 | etot = -16.1787074512473 -696000 ekin = 2.44650937280268 | erot = 1.81535925455471 | epot = -20.1652369679569 | etot = -15.9033683405995 -697000 ekin = 2.51545709816391 | erot = 1.68826010240614 | epot = -20.2135933592978 | etot = -16.0098761587277 -698000 ekin = 2.62928708586012 | erot = 1.96628199836561 | epot = -20.2928804390014 | etot = -15.6973113547757 -699000 ekin = 2.71719696170785 | erot = 2.26885524041395 | epot = -20.3980545329773 | etot = -15.4120023308555 -700000 ekin = 2.87208259001893 | erot = 2.42835298004853 | epot = -20.5178291857199 | etot = -15.2173936156525 -701000 ekin = 2.9590025941786 | erot = 2.35931389631763 | epot = -20.6419240268714 | etot = -15.3236075363752 -702000 ekin = 3.02090269085831 | erot = 2.15074914986673 | epot = -20.7704027073323 | etot = -15.5987508666073 -703000 ekin = 2.97785017762421 | erot = 2.21426045315814 | epot = -20.8971176595447 | etot = -15.7050070287624 -704000 ekin = 2.95736377946439 | erot = 2.20998660273223 | epot = -21.0054958631765 | etot = -15.8381454809799 -705000 ekin = 2.86750561874093 | erot = 2.27820994963668 | epot = -21.0805981580102 | etot = -15.9348825896326 -706000 ekin = 2.78753231022087 | erot = 2.27865200108174 | epot = -21.1291811901197 | etot = -16.0629968788171 -707000 ekin = 2.8221544757383 | erot = 2.35221981249493 | epot = -21.1609961465456 | etot = -15.9866218583124 -708000 ekin = 2.82884823815726 | erot = 2.35861511414888 | epot = -21.1686473578681 | etot = -15.981184005562 -709000 ekin = 2.83366981825964 | erot = 2.36573692196793 | epot = -21.1360090124618 | etot = -15.9366022722343 -710000 ekin = 2.82063152616528 | erot = 2.46614987505483 | epot = -21.084135790447 | etot = -15.7973543892268 -711000 ekin = 2.86012277832215 | erot = 2.45669685378257 | epot = -21.0284124029734 | etot = -15.7115927708687 -712000 ekin = 2.8390063227991 | erot = 2.58641728570271 | epot = -20.9774953745403 | etot = -15.5520717660385 -713000 ekin = 2.81285265683925 | erot = 2.77009227835482 | epot = -20.9479708753284 | etot = -15.3650259401343 -714000 ekin = 2.79476769474643 | erot = 2.56608145301021 | epot = -20.9660227808507 | etot = -15.6051736330941 -715000 ekin = 2.88214044419472 | erot = 2.35359704421368 | epot = -21.0023890888566 | etot = -15.7666516004482 -716000 ekin = 2.80624441075242 | erot = 2.44602402366733 | epot = -21.064339930078 | etot = -15.8120714956583 -717000 ekin = 2.83593496475382 | erot = 1.92271233473076 | epot = -21.1419339045501 | etot = -16.3832866050655 -718000 ekin = 3.04347220736757 | erot = 2.09664480466669 | epot = -21.2307953497154 | etot = -16.0906783376812 -719000 ekin = 3.12566385858553 | erot = 1.94969815384692 | epot = -21.3369127599923 | etot = -16.2615507475599 -720000 ekin = 3.09860713118153 | erot = 1.90387725838985 | epot = -21.4309432046991 | etot = -16.4284588151277 -721000 ekin = 3.12993031147993 | erot = 1.75974471708504 | epot = -21.493414783552 | etot = -16.6037397549871 -722000 ekin = 3.20199415669038 | erot = 1.70619449649603 | epot = -21.5365621621193 | etot = -16.6283735089329 -723000 ekin = 3.2399616527217 | erot = 1.89914229033975 | epot = -21.5885170205206 | etot = -16.4494130774592 -724000 ekin = 3.23853046611197 | erot = 2.03882621849445 | epot = -21.6296558315722 | etot = -16.3522991469658 -725000 ekin = 3.28185949262397 | erot = 2.3703066317188 | epot = -21.6824484616651 | etot = -16.0302823373224 -726000 ekin = 3.25580607632146 | erot = 2.39086109621911 | epot = -21.717756538354 | etot = -16.0710893658134 -727000 ekin = 3.1980522899894 | erot = 2.32087178780801 | epot = -21.7371075347418 | etot = -16.2181834569444 -728000 ekin = 3.15990197080378 | erot = 2.25349819703047 | epot = -21.7242195216855 | etot = -16.3108193538513 -729000 ekin = 3.1567654024144 | erot = 2.43628064604815 | epot = -21.6874540329219 | etot = -16.0944079844593 -730000 ekin = 3.09116846008049 | erot = 2.25419507427888 | epot = -21.6463691748061 | etot = -16.3010056404467 -731000 ekin = 3.13482605258299 | erot = 2.37233499175372 | epot = -21.6178854848953 | etot = -16.1107244405586 -732000 ekin = 2.99746260909709 | erot = 2.05794797450101 | epot = -21.6100718510639 | etot = -16.5546612674658 -733000 ekin = 2.96980729498492 | erot = 2.41656769534058 | epot = -21.6212858194822 | etot = -16.2349108291567 -734000 ekin = 2.95805172881175 | erot = 2.41106090291006 | epot = -21.6442325736442 | etot = -16.2751199419224 -735000 ekin = 2.9891264560767 | erot = 2.56433748906662 | epot = -21.6552350758765 | etot = -16.1017711307332 -736000 ekin = 2.98402840956487 | erot = 2.50919943020275 | epot = -21.6382057820194 | etot = -16.1449779422518 -737000 ekin = 2.93444255324145 | erot = 2.46509691619813 | epot = -21.606907547211 | etot = -16.2073680777714 -738000 ekin = 2.92304716734017 | erot = 2.3908682646107 | epot = -21.5785523296152 | etot = -16.2646368976643 -739000 ekin = 2.87558559566485 | erot = 2.33418319756081 | epot = -21.5767003124475 | etot = -16.3669315192218 -740000 ekin = 2.83334180172253 | erot = 1.96595420169415 | epot = -21.5790601467372 | etot = -16.7797641433205 -741000 ekin = 2.90514747722405 | erot = 1.9006428025971 | epot = -21.5882717938206 | etot = -16.7824815139994 -742000 ekin = 2.94949674447573 | erot = 2.1048120766183 | epot = -21.6073581142244 | etot = -16.5530492931303 -743000 ekin = 3.04809185048074 | erot = 2.29122955891137 | epot = -21.621784420587 | etot = -16.2824630111949 -744000 ekin = 2.98636530702449 | erot = 2.18551221916311 | epot = -21.6006673772006 | etot = -16.428789851013 -745000 ekin = 2.92324621087507 | erot = 2.67370319519972 | epot = -21.5479250866168 | etot = -15.950975680542 -746000 ekin = 2.81108840832449 | erot = 2.60039332109235 | epot = -21.4880495112526 | etot = -16.0765677818358 -747000 ekin = 2.67991382739574 | erot = 2.55252994490165 | epot = -21.4304230755336 | etot = -16.1979793032362 -748000 ekin = 2.53045428101843 | erot = 2.2495073629404 | epot = -21.3737230667376 | etot = -16.5937614227788 -749000 ekin = 2.4521893183738 | erot = 2.14663919598189 | epot = -21.3068166295675 | etot = -16.7079881152118 -750000 ekin = 2.43997409031382 | erot = 2.12137765598068 | epot = -21.2605139231808 | etot = -16.6991621768863 -751000 ekin = 2.39722500832658 | erot = 1.84714049259511 | epot = -21.224520454873 | etot = -16.9801549539513 -752000 ekin = 2.37942582094574 | erot = 1.94578907645454 | epot = -21.2018614145335 | etot = -16.8766465171332 -753000 ekin = 2.28406990648596 | erot = 2.197225255846 | epot = -21.2075024607037 | etot = -16.7262072983717 -754000 ekin = 2.17408286982644 | erot = 2.09839079215051 | epot = -21.2133775747239 | etot = -16.940903912747 -755000 ekin = 2.20136426888663 | erot = 2.2406707957933 | epot = -21.2335060459118 | etot = -16.7914709812319 -756000 ekin = 2.1284426091314 | erot = 2.75005545693648 | epot = -21.2581599852216 | etot = -16.3796619191537 -757000 ekin = 2.25743819675579 | erot = 2.52018349756316 | epot = -21.2980084121414 | etot = -16.5203867178225 -758000 ekin = 2.27601870393359 | erot = 2.5755921466063 | epot = -21.3386893542482 | etot = -16.4870785037083 -759000 ekin = 2.36164379748129 | erot = 2.34149147167517 | epot = -21.3861537164023 | etot = -16.6830184472459 -760000 ekin = 2.46751181779574 | erot = 2.29440108117585 | epot = -21.4502954100428 | etot = -16.6883825110713 -761000 ekin = 2.56117979243454 | erot = 2.28528133130908 | epot = -21.5440902713619 | etot = -16.6976291476183 -762000 ekin = 2.73403817269076 | erot = 2.05037676089394 | epot = -21.6655284682356 | etot = -16.881113534651 -763000 ekin = 2.89028863280026 | erot = 1.96997057412364 | epot = -21.7985105959422 | etot = -16.9382513890183 -764000 ekin = 3.07961097461013 | erot = 1.90337686517649 | epot = -21.9231959994997 | etot = -16.9402081597131 -765000 ekin = 3.10823123780442 | erot = 1.87663540264887 | epot = -22.0019892323023 | etot = -17.017122591849 -766000 ekin = 3.06909048295622 | erot = 2.19611166095449 | epot = -22.0456827970015 | etot = -16.7804806530908 -767000 ekin = 2.95314668625032 | erot = 2.25238187251628 | epot = -22.0265415483729 | etot = -16.8210129896063 -768000 ekin = 2.82146820632435 | erot = 2.14933629194888 | epot = -21.9729916913491 | etot = -17.0021871930759 -769000 ekin = 2.77603784528996 | erot = 1.90506312419816 | epot = -21.892293283993 | etot = -17.2111923145049 -770000 ekin = 2.78938661934792 | erot = 1.68105737595288 | epot = -21.799863534568 | etot = -17.3294195392672 -771000 ekin = 2.69423677840416 | erot = 1.66016415121808 | epot = -21.7233415289995 | etot = -17.3689405993773 -772000 ekin = 2.47513570113015 | erot = 1.55323249560273 | epot = -21.6442608053663 | etot = -17.6158926086334 -773000 ekin = 2.31141180852011 | erot = 1.521177135233 | epot = -21.5669030975225 | etot = -17.7343141537694 -774000 ekin = 2.17520959919718 | erot = 1.42853024205637 | epot = -21.5199609482921 | etot = -17.9162211070385 -775000 ekin = 2.04944703670454 | erot = 1.48494648755665 | epot = -21.528093327263 | etot = -17.9936998030018 -776000 ekin = 1.92108310791733 | erot = 1.66205812928448 | epot = -21.5590874070444 | etot = -17.9759461698426 -777000 ekin = 1.71219857932787 | erot = 1.81255070842967 | epot = -21.5756405048093 | etot = -18.0508912170518 -778000 ekin = 1.64975190369133 | erot = 1.77693127539902 | epot = -21.6017623261212 | etot = -18.1750791470308 -779000 ekin = 1.48106773483733 | erot = 1.73996737730546 | epot = -21.6271500213887 | etot = -18.4061149092459 -780000 ekin = 1.421154751897 | erot = 1.92486733092772 | epot = -21.6544636605777 | etot = -18.308441577753 -781000 ekin = 1.45929388158655 | erot = 2.37782097649985 | epot = -21.6537823170126 | etot = -17.8166674589262 -782000 ekin = 1.41005089049943 | erot = 2.64330507296429 | epot = -21.6242214819651 | etot = -17.5708655185014 -783000 ekin = 1.48665806788364 | erot = 2.2551551458972 | epot = -21.6087091715117 | etot = -17.8668959577309 -784000 ekin = 1.51747380423291 | erot = 1.88850072498565 | epot = -21.5108011603796 | etot = -18.104826631161 -785000 ekin = 1.54947682048269 | erot = 1.86706119579391 | epot = -21.3875221209817 | etot = -17.9709841047051 -786000 ekin = 1.54716158992394 | erot = 1.85630977678419 | epot = -21.2539376526403 | etot = -17.8504662859322 -787000 ekin = 1.62670511458663 | erot = 1.68010954051076 | epot = -21.1236984428165 | etot = -17.8168837877191 -788000 ekin = 1.71061295763359 | erot = 1.48079461940025 | epot = -21.0260161605707 | etot = -17.8346085835368 -789000 ekin = 1.75916840317588 | erot = 1.50945935318381 | epot = -21.0009620101458 | etot = -17.7323342537861 -790000 ekin = 1.8174567271449 | erot = 1.42634706359387 | epot = -20.9943086861151 | etot = -17.7505048953764 -791000 ekin = 1.94362771134128 | erot = 1.56573593007327 | epot = -21.0261698907268 | etot = -17.5168062493123 -792000 ekin = 2.04975276454239 | erot = 1.57988802147767 | epot = -21.0770336678104 | etot = -17.4473928817903 -793000 ekin = 2.17271315800351 | erot = 1.66062406864789 | epot = -21.1162570840036 | etot = -17.2829198573522 -794000 ekin = 2.13334157803654 | erot = 1.76445873405416 | epot = -21.1513206879656 | etot = -17.2535203758749 -795000 ekin = 2.13601408983627 | erot = 1.8111607883192 | epot = -21.1807545548915 | etot = -17.233579676736 -796000 ekin = 2.17221625803756 | erot = 1.84884046113895 | epot = -21.2058704683363 | etot = -17.1848137491598 -797000 ekin = 2.14637210530451 | erot = 2.21749811105555 | epot = -21.2529195044657 | etot = -16.8890492881057 -798000 ekin = 2.1595764262584 | erot = 2.29275394485819 | epot = -21.2708923889551 | etot = -16.8185620178386 -799000 ekin = 2.08753769092936 | erot = 2.48223892350034 | epot = -21.2988770573756 | etot = -16.7291004429459 -800000 ekin = 2.10166063621261 | erot = 2.30451589147721 | epot = -21.3357063804168 | etot = -16.929529852727 -801000 ekin = 1.98982068448267 | erot = 2.31496031357917 | epot = -21.3630439256795 | etot = -17.0582629276177 -802000 ekin = 1.88852653962923 | erot = 2.53585639899759 | epot = -21.4221529007417 | etot = -16.9977699621148 -803000 ekin = 1.864948997027 | erot = 2.51258933602245 | epot = -21.5138216867267 | etot = -17.1362833536772 -804000 ekin = 1.83485043700218 | erot = 2.73777283234846 | epot = -21.6067538814712 | etot = -17.0341306121205 -805000 ekin = 1.89569263744108 | erot = 2.82042555409451 | epot = -21.7141010846681 | etot = -16.9979828931325 -806000 ekin = 2.0359895439272 | erot = 2.98358468485799 | epot = -21.8550274116345 | etot = -16.8354531828493 -807000 ekin = 2.09814069227237 | erot = 2.81323193536483 | epot = -21.982732578034 | etot = -17.0713599503968 -808000 ekin = 2.11462770272961 | erot = 2.49693470536654 | epot = -22.0688650799844 | etot = -17.4573026718882 -809000 ekin = 2.13890385092021 | erot = 2.65117639911353 | epot = -22.1082573604103 | etot = -17.3181771103766 -810000 ekin = 2.15577455258838 | erot = 2.56739189056116 | epot = -22.0870651879662 | etot = -17.3638987448167 -811000 ekin = 2.17521477004717 | erot = 2.59273676449839 | epot = -22.0068576171896 | etot = -17.2389060826441 -812000 ekin = 2.21382110826674 | erot = 2.28331903732698 | epot = -21.9221481456803 | etot = -17.4250080000866 -813000 ekin = 2.23606377538011 | erot = 2.06676286322574 | epot = -21.8452254459267 | etot = -17.5423988073208 -814000 ekin = 2.31218669650381 | erot = 2.21982956647001 | epot = -21.7734705593994 | etot = -17.2414542964256 -815000 ekin = 2.26166132057918 | erot = 2.05343829873186 | epot = -21.7104605671137 | etot = -17.3953609478027 -816000 ekin = 2.29922240841952 | erot = 1.78921729996983 | epot = -21.673177295008 | etot = -17.5847375866187 -817000 ekin = 2.2854665071831 | erot = 1.7599434175785 | epot = -21.6545632782239 | etot = -17.6091533534623 -818000 ekin = 2.21513678285481 | erot = 1.78656435337603 | epot = -21.6636032884049 | etot = -17.6619021521741 -819000 ekin = 2.27391440988989 | erot = 1.82930333148455 | epot = -21.7137466609637 | etot = -17.6105289195893 -820000 ekin = 2.24282091294454 | erot = 1.73998445300775 | epot = -21.8023021191166 | etot = -17.8194967531643 -821000 ekin = 2.19192382316403 | erot = 2.0989386313738 | epot = -21.9355239556901 | etot = -17.6446615011523 -822000 ekin = 2.231078749125 | erot = 2.41397800350102 | epot = -22.0937718271944 | etot = -17.4487150745684 -823000 ekin = 2.18728871634505 | erot = 2.89300153500215 | epot = -22.2549565567124 | etot = -17.1746663053652 -824000 ekin = 2.09269007791821 | erot = 3.32774437375283 | epot = -22.4116674984377 | etot = -16.9912330467666 -825000 ekin = 2.02686183028597 | erot = 3.16127293746735 | epot = -22.5058824787882 | etot = -17.3177477110349 -826000 ekin = 2.03054435558016 | erot = 3.10016450783391 | epot = -22.5168374475926 | etot = -17.3861285841785 -827000 ekin = 2.0145241039294 | erot = 2.84123064216301 | epot = -22.4710810828114 | etot = -17.615326336719 -828000 ekin = 1.90238312904223 | erot = 2.71042154497583 | epot = -22.3794911074955 | etot = -17.7666864334774 -829000 ekin = 1.90418220366947 | erot = 2.69477669052598 | epot = -22.2643157201658 | etot = -17.6653568259704 -830000 ekin = 1.81997341684319 | erot = 2.5447850574763 | epot = -22.1272898430371 | etot = -17.7625313687176 -831000 ekin = 1.83168283006275 | erot = 2.11677888813413 | epot = -22.0163067804204 | etot = -18.0678450622236 -832000 ekin = 1.95186197623527 | erot = 2.17410981396393 | epot = -21.9377902835798 | etot = -17.8118184933806 -833000 ekin = 2.02730820338456 | erot = 1.91567543746849 | epot = -21.8853858637296 | etot = -17.9424022228766 -834000 ekin = 2.14966587630706 | erot = 1.87948738398703 | epot = -21.8918169629541 | etot = -17.8626637026601 -835000 ekin = 2.11991706021007 | erot = 1.80545414551881 | epot = -21.9417230794068 | etot = -18.016351873678 -836000 ekin = 2.16450787990255 | erot = 1.56947066595273 | epot = -22.0176370617292 | etot = -18.2836585158739 -837000 ekin = 2.22942308740213 | erot = 1.72466381535966 | epot = -22.0834662658142 | etot = -18.1293793630524 -838000 ekin = 2.33805060269866 | erot = 2.18496998632888 | epot = -22.1577664107317 | etot = -17.6347458217042 -839000 ekin = 2.4577627051558 | erot = 2.34137207492887 | epot = -22.2345011792195 | etot = -17.4353663991348 -840000 ekin = 2.4408859701061 | erot = 2.20193516257624 | epot = -22.3102615213262 | etot = -17.6674403886438 -841000 ekin = 2.52217561151239 | erot = 2.11119786335641 | epot = -22.4106870083823 | etot = -17.7773135335135 -842000 ekin = 2.53177717032708 | erot = 2.03329546380491 | epot = -22.5051884058713 | etot = -17.9401157717393 -843000 ekin = 2.46981084627163 | erot = 2.26208096486898 | epot = -22.6073969437417 | etot = -17.8755051326011 -844000 ekin = 2.53343392638537 | erot = 2.26231111168032 | epot = -22.6930988517866 | etot = -17.8973538137209 -845000 ekin = 2.55237006837693 | erot = 2.51402635295012 | epot = -22.7449813491075 | etot = -17.6785849277805 -846000 ekin = 2.43591378572747 | erot = 2.18244993014987 | epot = -22.7598171984303 | etot = -18.1414534825529 -847000 ekin = 2.47489280739527 | erot = 2.44850012169225 | epot = -22.7352494455244 | etot = -17.8118565164369 -848000 ekin = 2.56433574545226 | erot = 2.34872816436964 | epot = -22.6736999531278 | etot = -17.7606360433059 -849000 ekin = 2.59586448024853 | erot = 2.2652949780479 | epot = -22.5710185702837 | etot = -17.7098591119873 -850000 ekin = 2.49039613324366 | erot = 2.08374957064521 | epot = -22.4628543871474 | etot = -17.8887086832586 -851000 ekin = 2.48848828005073 | erot = 2.1504397370545 | epot = -22.3616397400165 | etot = -17.7227117229112 -852000 ekin = 2.50477194373625 | erot = 2.31551148311429 | epot = -22.2794107361279 | etot = -17.4591273092774 -853000 ekin = 2.48988722576781 | erot = 2.37905944195178 | epot = -22.2174467488413 | etot = -17.3485000811217 -854000 ekin = 2.48068473577069 | erot = 2.18215338513721 | epot = -22.1954265386904 | etot = -17.5325884177825 -855000 ekin = 2.36041825080301 | erot = 2.14907471345967 | epot = -22.229814016814 | etot = -17.7203210525513 -856000 ekin = 2.41735820368112 | erot = 2.28663399372954 | epot = -22.3010603003025 | etot = -17.5970681028918 -857000 ekin = 2.30380534498035 | erot = 2.28079843394969 | epot = -22.3899957816153 | etot = -17.8053920026852 -858000 ekin = 2.32374915951128 | erot = 2.52586913415202 | epot = -22.4777730735044 | etot = -17.6281547798411 -859000 ekin = 2.36194825640362 | erot = 2.27489572175793 | epot = -22.5497050266214 | etot = -17.9128610484599 -860000 ekin = 2.29676205732791 | erot = 2.83889891466404 | epot = -22.6025698957187 | etot = -17.4669089237267 -861000 ekin = 2.2116102131386 | erot = 2.99481322410894 | epot = -22.629924563885 | etot = -17.4235011266375 -862000 ekin = 2.2183818372621 | erot = 3.2500051060616 | epot = -22.6168976032126 | etot = -17.1485106598888 -863000 ekin = 2.13571465170696 | erot = 3.00165601774444 | epot = -22.5766345837817 | etot = -17.4392639143303 -864000 ekin = 2.17821492819518 | erot = 3.24144192927487 | epot = -22.5094500698139 | etot = -17.0897932123439 -865000 ekin = 2.12870821452427 | erot = 3.22322665201242 | epot = -22.4134082795113 | etot = -17.0614734129746 -866000 ekin = 2.03423896587968 | erot = 2.41447107774416 | epot = -22.3090528921738 | etot = -17.8603428485499 -867000 ekin = 1.97183886889137 | erot = 2.48184160436842 | epot = -22.2021182647476 | etot = -17.7484377914878 -868000 ekin = 1.91308044020404 | erot = 2.24650208042639 | epot = -22.1047137256861 | etot = -17.9451312050556 -869000 ekin = 1.86185635878425 | erot = 2.19298136311335 | epot = -22.0509375705499 | etot = -17.9960998486523 -870000 ekin = 1.75992459606837 | erot = 2.27547409061146 | epot = -22.0117595888703 | etot = -17.9763609021905 -871000 ekin = 1.72178818046697 | erot = 1.96572150785531 | epot = -21.9802199744919 | etot = -18.2927102861696 -872000 ekin = 1.66903556580781 | erot = 1.93794167823874 | epot = -21.9603990023827 | etot = -18.3534217583362 -873000 ekin = 1.64894346626438 | erot = 1.88450940280994 | epot = -21.9681555430983 | etot = -18.434702674024 -874000 ekin = 1.57135406761308 | erot = 1.94741453396443 | epot = -21.9765853859781 | etot = -18.4578167844006 -875000 ekin = 1.59516741268916 | erot = 2.2315729779776 | epot = -21.9920927279222 | etot = -18.1653523372555 -876000 ekin = 1.50206798403357 | erot = 2.57780068625255 | epot = -22.0050475608075 | etot = -17.9251788905214 -877000 ekin = 1.52015373136843 | erot = 2.2843716369875 | epot = -22.0218254393279 | etot = -18.217300070972 -878000 ekin = 1.53387227783115 | erot = 2.27517376879632 | epot = -22.0464155341917 | etot = -18.2373694875642 -879000 ekin = 1.55669077534447 | erot = 2.3756587781102 | epot = -22.062973657109 | etot = -18.1306241036543 -880000 ekin = 1.60508011630073 | erot = 2.26195551636665 | epot = -22.0724613924584 | etot = -18.205425759791 -881000 ekin = 1.6255817800637 | erot = 2.31792675005685 | epot = -22.0658818657201 | etot = -18.1223733355995 -882000 ekin = 1.61449109588179 | erot = 2.44866007965501 | epot = -22.0469024278369 | etot = -17.9837512523001 -883000 ekin = 1.63091904235009 | erot = 2.18398402433298 | epot = -22.0252651066255 | etot = -18.2103620399425 -884000 ekin = 1.69681929338606 | erot = 2.21165212418229 | epot = -21.974538546393 | etot = -18.0660671288247 -885000 ekin = 1.75683241806792 | erot = 2.08331167107024 | epot = -21.8927725348209 | etot = -18.0526284456827 -886000 ekin = 1.75713708681646 | erot = 1.80115910431459 | epot = -21.826515750348 | etot = -18.268219559217 -887000 ekin = 1.84458649763984 | erot = 1.66553699702637 | epot = -21.7661815209402 | etot = -18.256058026274 -888000 ekin = 1.88680036415698 | erot = 1.72065200162268 | epot = -21.7110459690317 | etot = -18.1035936032521 -889000 ekin = 1.92232221960089 | erot = 1.56101057590113 | epot = -21.6536565424971 | etot = -18.1703237469951 -890000 ekin = 2.022841033779 | erot = 1.31029028744447 | epot = -21.5930522300752 | etot = -18.2599209088518 -891000 ekin = 2.02442701619092 | erot = 1.42067034503705 | epot = -21.5472191599557 | etot = -18.1021217987277 -892000 ekin = 2.03626775806652 | erot = 1.66316771076554 | epot = -21.5129190017506 | etot = -17.8134835329186 -893000 ekin = 2.05186124624806 | erot = 1.5752716113925 | epot = -21.4921943128918 | etot = -17.8650614552512 -894000 ekin = 2.09965074001054 | erot = 1.56560345394424 | epot = -21.4743969884815 | etot = -17.8091427945267 -895000 ekin = 2.16252772919142 | erot = 1.54647539834669 | epot = -21.4549689326413 | etot = -17.7459658051031 -896000 ekin = 2.10489706554183 | erot = 1.78263133107129 | epot = -21.4330314423343 | etot = -17.5455030457212 -897000 ekin = 2.15073147494821 | erot = 1.74536300046879 | epot = -21.4239119831847 | etot = -17.5278175077677 -898000 ekin = 2.21697995910577 | erot = 2.0697876586941 | epot = -21.4471718071731 | etot = -17.1604041893732 -899000 ekin = 2.33779396143598 | erot = 2.00733840871183 | epot = -21.4839889813096 | etot = -17.1388566111618 -900000 ekin = 2.41597591914443 | erot = 1.85133754557128 | epot = -21.5274273367608 | etot = -17.2601138720451 -901000 ekin = 2.52644082939946 | erot = 2.19280268194132 | epot = -21.5756266105074 | etot = -16.8563830991666 -902000 ekin = 2.51043073712952 | erot = 1.85686816359505 | epot = -21.6063552107204 | etot = -17.2390563099959 -903000 ekin = 2.6254801850032 | erot = 1.94554509677337 | epot = -21.6466830430368 | etot = -17.0756577612602 -904000 ekin = 2.68604865641952 | erot = 1.82230313014683 | epot = -21.7065646613497 | etot = -17.1982128747834 -905000 ekin = 2.83060251059713 | erot = 2.01697139484873 | epot = -21.7613929111655 | etot = -16.9138190057197 -906000 ekin = 2.94848642766326 | erot = 1.99957930227816 | epot = -21.7999060542926 | etot = -16.8518403243511 -907000 ekin = 2.88672419291329 | erot = 2.19624352905733 | epot = -21.8240702621865 | etot = -16.7411025402159 -908000 ekin = 2.91368680910739 | erot = 2.27525981289754 | epot = -21.8626935205284 | etot = -16.6737468985235 -909000 ekin = 3.0399311133842 | erot = 2.4181338660187 | epot = -21.8797361081397 | etot = -16.4216711287368 -910000 ekin = 3.02111394144684 | erot = 2.25653445757737 | epot = -21.8869501318906 | etot = -16.6093017328664 -911000 ekin = 2.99074440602977 | erot = 2.42571768981063 | epot = -21.8911591932149 | etot = -16.4746970973745 -912000 ekin = 2.9388350389882 | erot = 2.54048734112232 | epot = -21.8943632676177 | etot = -16.4150408875072 -913000 ekin = 2.88155815219754 | erot = 2.43333021308748 | epot = -21.8712405715108 | etot = -16.5563522062257 -914000 ekin = 2.78298688987958 | erot = 2.69976035391025 | epot = -21.8286041753386 | etot = -16.3458569315488 -915000 ekin = 2.7514400944916 | erot = 2.66679831130742 | epot = -21.7506323099744 | etot = -16.3323939041754 -916000 ekin = 2.72328856812533 | erot = 2.53216922557983 | epot = -21.6421731788437 | etot = -16.3867153851385 -917000 ekin = 2.69768821710611 | erot = 2.47439052917339 | epot = -21.5733596386745 | etot = -16.401280892395 -918000 ekin = 2.66995818672158 | erot = 2.09882686301133 | epot = -21.5521619505363 | etot = -16.7833769008034 -919000 ekin = 2.61716147205238 | erot = 2.17918504384224 | epot = -21.5346780530114 | etot = -16.7383315371168 -920000 ekin = 2.4752636050952 | erot = 2.51685127690442 | epot = -21.4991402053986 | etot = -16.507025323399 -921000 ekin = 2.47056876817998 | erot = 2.49255863309435 | epot = -21.4619591744662 | etot = -16.4988317731919 -922000 ekin = 2.58423659960655 | erot = 2.61648914398982 | epot = -21.4156116153633 | etot = -16.2148858717669 -923000 ekin = 2.49375353890865 | erot = 2.67153957254788 | epot = -21.4001146688765 | etot = -16.2348215574199 -924000 ekin = 2.44602138611864 | erot = 2.6849871570182 | epot = -21.4057397221907 | etot = -16.2747311790539 -925000 ekin = 2.40338846624006 | erot = 3.00424602709663 | epot = -21.4434811046204 | etot = -16.0358466112837 -926000 ekin = 2.47488592872435 | erot = 3.17529768125875 | epot = -21.5232565657781 | etot = -15.873072955795 -927000 ekin = 2.40301595960232 | erot = 3.17662851484981 | epot = -21.6300583966372 | etot = -16.050413922185 -928000 ekin = 2.44990005675411 | erot = 3.45632999664445 | epot = -21.7790682902906 | etot = -15.872838236892 -929000 ekin = 2.56646836803309 | erot = 3.14534753938437 | epot = -21.9043533033891 | etot = -16.1925373959717 -930000 ekin = 2.53471244466888 | erot = 3.3457187787957 | epot = -21.9769628203937 | etot = -16.0965315969291 -931000 ekin = 2.50104812028235 | erot = 3.03046410574105 | epot = -22.0056915593073 | etot = -16.4741793332839 -932000 ekin = 2.49568433462376 | erot = 2.88794958693756 | epot = -21.9962407011233 | etot = -16.612606779562 -933000 ekin = 2.38321005751951 | erot = 2.81796519585765 | epot = -21.9635224592426 | etot = -16.7623472058655 -934000 ekin = 2.46317933029144 | erot = 2.48085702084566 | epot = -21.9076116702184 | etot = -16.9635753190813 -935000 ekin = 2.494042694389 | erot = 2.26805014218364 | epot = -21.8352758876529 | etot = -17.0731830510803 -936000 ekin = 2.5430697132387 | erot = 2.27852041735828 | epot = -21.7446317199061 | etot = -16.9230415893091 -937000 ekin = 2.53788333247346 | erot = 2.23194591805574 | epot = -21.6534356613621 | etot = -16.8836064108329 -938000 ekin = 2.56958704064571 | erot = 2.22382492410293 | epot = -21.6129100017685 | etot = -16.8194980370198 -939000 ekin = 2.57422838457721 | erot = 2.07923538706594 | epot = -21.6279254714879 | etot = -16.9744616998447 -940000 ekin = 2.60491982052062 | erot = 1.98992236153729 | epot = -21.6750092612153 | etot = -17.0801670791574 -941000 ekin = 2.66373355701793 | erot = 2.32917490630082 | epot = -21.764370163331 | etot = -16.7714617000123 -942000 ekin = 2.69288932722118 | erot = 2.640619275087 | epot = -21.8851511920185 | etot = -16.5516425897103 -943000 ekin = 2.85220624426593 | erot = 2.6475855859485 | epot = -22.0439788566384 | etot = -16.544187026424 -944000 ekin = 3.0698183844293 | erot = 2.584326500339 | epot = -22.1868426785132 | etot = -16.5326977937449 -945000 ekin = 3.11977740266063 | erot = 2.7604705229242 | epot = -22.3020466458578 | etot = -16.421798720273 -946000 ekin = 3.19652619014303 | erot = 2.60532859032606 | epot = -22.3840876069666 | etot = -16.5822328264975 -947000 ekin = 3.08784085528995 | erot = 2.30512601523234 | epot = -22.4409982051653 | etot = -17.048031334643 -948000 ekin = 3.07667922739837 | erot = 2.80704322134879 | epot = -22.4646638948264 | etot = -16.5809414460792 -949000 ekin = 3.17062900635953 | erot = 2.74445638705353 | epot = -22.4206065116941 | etot = -16.505521118281 -950000 ekin = 2.99689212844042 | erot = 2.86552970257342 | epot = -22.336181645013 | etot = -16.4737598139991 -951000 ekin = 2.97085887473051 | erot = 2.98485442072158 | epot = -22.2080335641941 | etot = -16.252320268742 -952000 ekin = 2.88426317548639 | erot = 2.88099001925752 | epot = -22.0862048891001 | etot = -16.3209516943562 -953000 ekin = 2.79821947299194 | erot = 2.79125510393654 | epot = -21.9697259248555 | etot = -16.380251347927 -954000 ekin = 2.75832450886912 | erot = 2.42390666106202 | epot = -21.8712203511705 | etot = -16.6889891812394 -955000 ekin = 2.87942571582949 | erot = 2.62352115358357 | epot = -21.7827306606127 | etot = -16.2797837911997 -956000 ekin = 2.99654896256508 | erot = 2.37509995935524 | epot = -21.7003789778445 | etot = -16.3287300559242 -957000 ekin = 3.01075252014519 | erot = 2.0959903323954 | epot = -21.6228190260864 | etot = -16.5160761735458 -958000 ekin = 3.08956507051393 | erot = 2.10771389670703 | epot = -21.5884599129528 | etot = -16.3911809457318 -959000 ekin = 3.07649935611857 | erot = 2.19950747705674 | epot = -21.608299575745 | etot = -16.3322927425697 -960000 ekin = 3.10536584557336 | erot = 2.29678872673574 | epot = -21.6407886898389 | etot = -16.2386341175298 -961000 ekin = 3.15824288797258 | erot = 2.14027743718263 | epot = -21.6571494232644 | etot = -16.3586290981092 -962000 ekin = 3.14297945524716 | erot = 2.20585989326466 | epot = -21.6669948660151 | etot = -16.3181555175033 -963000 ekin = 3.09592787201201 | erot = 1.84946957131998 | epot = -21.6592309502122 | etot = -16.7138335068802 -964000 ekin = 3.09941791328147 | erot = 2.05420199745758 | epot = -21.6348571714205 | etot = -16.4812372606815 -965000 ekin = 3.0590978002562 | erot = 2.03923495471246 | epot = -21.5780802205105 | etot = -16.4797474655419 -966000 ekin = 3.14454176510568 | erot = 2.08245540621284 | epot = -21.4998250637726 | etot = -16.2728278924541 -967000 ekin = 3.03869206876045 | erot = 1.99551102271526 | epot = -21.4455121298548 | etot = -16.4113090383791 -968000 ekin = 2.91377375855351 | erot = 2.20122833628372 | epot = -21.4117922551797 | etot = -16.2967901603425 -969000 ekin = 2.99132330213163 | erot = 2.47698235897901 | epot = -21.356556122341 | etot = -15.8882504612304 -970000 ekin = 2.95925005680405 | erot = 2.48694698427801 | epot = -21.3051309670823 | etot = -15.8589339260003 -971000 ekin = 2.85605976500569 | erot = 2.1530873115416 | epot = -21.2711653081509 | etot = -16.2620182316036 -972000 ekin = 2.87454972615782 | erot = 2.2162227007048 | epot = -21.2533681597902 | etot = -16.1625957329276 -973000 ekin = 2.82721122527838 | erot = 2.35000163924771 | epot = -21.2327108232255 | etot = -16.0554979586994 -974000 ekin = 2.72683175865821 | erot = 2.83125023318122 | epot = -21.2149243536637 | etot = -15.6568423618242 -975000 ekin = 2.7058821636302 | erot = 2.49368474281296 | epot = -21.1936492280793 | etot = -15.9940823216362 -976000 ekin = 2.70041722750245 | erot = 2.45741362546316 | epot = -21.187275504801 | etot = -16.0294446518354 -977000 ekin = 2.5945783600864 | erot = 2.48585482647506 | epot = -21.1832960991299 | etot = -16.1028629125685 -978000 ekin = 2.59433384768146 | erot = 2.25685298850986 | epot = -21.1912738457586 | etot = -16.3400870095673 -979000 ekin = 2.65907339789597 | erot = 2.14939269259699 | epot = -21.2277961745875 | etot = -16.4193300840946 -980000 ekin = 2.6800258272481 | erot = 2.14623475911376 | epot = -21.2888425661003 | etot = -16.4625819797384 -981000 ekin = 2.64198792972579 | erot = 2.09278957349386 | epot = -21.3758129934798 | etot = -16.6410354902601 -982000 ekin = 2.72135605208941 | erot = 2.10484266920753 | epot = -21.469578829443 | etot = -16.6433801081461 -983000 ekin = 2.63994960139807 | erot = 2.23278066526168 | epot = -21.5361373723972 | etot = -16.6634071057375 -984000 ekin = 2.61481848524905 | erot = 2.09640066338756 | epot = -21.5563728487098 | etot = -16.8451537000732 -985000 ekin = 2.61123661404095 | erot = 2.3371171115187 | epot = -21.5280304280228 | etot = -16.5796767024632 -986000 ekin = 2.53166588529896 | erot = 2.51414944396533 | epot = -21.4598136655137 | etot = -16.4139983362494 -987000 ekin = 2.51681610277252 | erot = 2.1560100013963 | epot = -21.3682813084315 | etot = -16.6954552042626 -988000 ekin = 2.52900907479865 | erot = 1.99810184774731 | epot = -21.2423979763254 | etot = -16.7152870537794 -989000 ekin = 2.46743393431882 | erot = 2.1761264782121 | epot = -21.1081947595191 | etot = -16.4646343469882 -990000 ekin = 2.33679166273175 | erot = 2.21492463068876 | epot = -20.9584920898951 | etot = -16.4067757964745 -991000 ekin = 2.15649617938395 | erot = 2.10512589255934 | epot = -20.8223518284059 | etot = -16.5607297564626 -992000 ekin = 2.16667762000927 | erot = 2.36721990012083 | epot = -20.7043891749962 | etot = -16.1704916548661 -993000 ekin = 2.19208440550362 | erot = 2.60766896726695 | epot = -20.6167811931571 | etot = -15.8170278203865 -994000 ekin = 2.24324320799042 | erot = 2.72045204046636 | epot = -20.5394560680998 | etot = -15.5757608196431 -995000 ekin = 2.30218249346891 | erot = 2.38815652338748 | epot = -20.5055629227556 | etot = -15.8152239058992 -996000 ekin = 2.42068208522236 | erot = 2.25149887670444 | epot = -20.5308517273634 | etot = -15.8586707654366 -997000 ekin = 2.40906609277991 | erot = 2.62359663392162 | epot = -20.6100670630842 | etot = -15.5774043363827 -998000 ekin = 2.47036155438533 | erot = 2.72144206830377 | epot = -20.7420376418526 | etot = -15.5502340191635 -999000 ekin = 2.48386726649674 | erot = 3.06416174290219 | epot = -20.8948468865809 | etot = -15.346817877182 -1000000 ekin = 2.67285546610894 | erot = 3.25707361502004 | epot = -21.0717432309422 | etot = -15.1418141498132 - 1000000 0.11879358 -1.3439085 0.026924568 -1.1499305 -8.5339515e-05 64000 -Loop time of 31.185 on 4 procs for 1000000 steps with 16 atoms - -Performance: 27705.600 tau/day, 32066.666 timesteps/s -96.4% CPU use with 4 MPI tasks x no OpenMP threads - -MPI task timing breakdown: -Section | min time | avg time | max time |%varavg| %total ---------------------------------------------------------------- -Pair | 14.443 | 16.691 | 18.812 | 49.1 | 53.52 -Bond | 0.41614 | 0.53705 | 0.60987 | 10.2 | 1.72 -Neigh | 0.026099 | 0.026141 | 0.02616 | 0.0 | 0.08 -Comm | 3.8806 | 4.0753 | 4.3197 | 8.3 | 13.07 -Output | 0.15586 | 0.15985 | 0.16634 | 1.0 | 0.51 -Modify | 1.5962 | 1.8782 | 2.1413 | 17.6 | 6.02 -Other | | 7.818 | | | 25.07 - -Nlocal: 4.00000 ave 5 max 3 min -Histogram: 2 0 0 0 0 0 0 0 0 2 -Nghost: 12.0000 ave 13 max 11 min -Histogram: 2 0 0 0 0 0 0 0 0 2 -Neighs: 48.5000 ave 58 max 39 min -Histogram: 2 0 0 0 0 0 0 0 0 2 - -Total # of neighbors = 194 -Ave neighs/atom = 12.125000 -Ave special neighs/atom = 3.7500000 -Neighbor list builds = 1000 -Dangerous builds = 0 - -write_data last_config.${number}.* nocoeff -write_data last_config.2.* nocoeff -System init for write_data ... -Total wall time: 0:00:31 diff --git a/examples/PACKAGES/cgdna/examples/oxDNA/duplex2/log.2Jul21.duplex2.g++.1 b/examples/PACKAGES/cgdna/examples/oxDNA/duplex2/log.2Jul21.duplex2.g++.1 new file mode 100644 index 0000000000..d34e7a16b7 --- /dev/null +++ b/examples/PACKAGES/cgdna/examples/oxDNA/duplex2/log.2Jul21.duplex2.g++.1 @@ -0,0 +1,1173 @@ +LAMMPS (2 Jul 2021) +variable number equal 2 +variable ofreq equal 1000 +variable efreq equal 1000 +variable T equal 0.1 + +units lj + +dimension 3 + +newton on + +boundary p p p + +atom_style hybrid bond ellipsoid oxdna +WARNING: Atom style hybrid defines both, per-type and per-atom masses; both must be set, but only per-atom masses will be used (../atom_vec_hybrid.cpp:157) +atom_modify sort 0 1.0 + +# Pair interactions require lists of neighbours to be calculated +neighbor 2.0 bin +neigh_modify every 1 delay 0 check yes + +read_data data.duplex2 +Reading data file ... + orthogonal box = (-20.000000 -20.000000 -20.000000) to (20.000000 20.000000 20.000000) + 1 by 1 by 1 MPI processor grid + reading atoms ... + 16 atoms + reading velocities ... + 16 velocities + scanning bonds ... + 1 = max bonds/atom + 16 ellipsoids + reading bonds ... + 13 bonds +Finding 1-2 1-3 1-4 neighbors ... + special bond factors lj: 0 0 0 + special bond factors coul: 0 0 0 + 2 = max # of 1-2 neighbors + 2 = max # of 1-3 neighbors + 4 = max # of 1-4 neighbors + 6 = max # of special neighbors + special bonds CPU = 0.000 seconds + read_data CPU = 0.003 seconds + +set atom * mass 3.1575 +Setting atom values ... + 16 settings made for mass + +group all type 1 4 +16 atoms in group all + +# oxDNA bond interactions - FENE backbone +bond_style oxdna/fene +bond_coeff * 2.0 0.25 0.7525 +special_bonds lj 0 1 1 +Finding 1-2 1-3 1-4 neighbors ... + special bond factors lj: 0 1 1 + special bond factors coul: 0 0 0 + 2 = max # of 1-2 neighbors + 2 = max # of 1-3 neighbors + 4 = max # of 1-4 neighbors + 6 = max # of special neighbors + special bonds CPU = 0.000 seconds + +# oxDNA pair interactions +pair_style hybrid/overlay oxdna/excv oxdna/stk oxdna/hbond oxdna/xstk oxdna/coaxstk +pair_coeff * * oxdna/excv 2.0 0.7 0.675 2.0 0.515 0.5 2.0 0.33 0.32 +pair_coeff * * oxdna/stk seqav ${T} 1.3448 2.6568 6.0 0.4 0.9 0.32 0.75 1.3 0 0.8 0.9 0 0.95 0.9 0 0.95 2.0 0.65 2.0 0.65 +pair_coeff * * oxdna/stk seqav 0.1 1.3448 2.6568 6.0 0.4 0.9 0.32 0.75 1.3 0 0.8 0.9 0 0.95 0.9 0 0.95 2.0 0.65 2.0 0.65 +pair_coeff * * oxdna/hbond seqav 0.0 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 +pair_coeff 1 4 oxdna/hbond seqav 1.077 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 +pair_coeff 2 3 oxdna/hbond seqav 1.077 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 +pair_coeff * * oxdna/xstk 47.5 0.575 0.675 0.495 0.655 2.25 0.791592653589793 0.58 1.7 1.0 0.68 1.7 1.0 0.68 1.5 0 0.65 1.7 0.875 0.68 1.7 0.875 0.68 +pair_coeff * * oxdna/coaxstk 46.0 0.4 0.6 0.22 0.58 2.0 2.541592653589793 0.65 1.3 0 0.8 0.9 0 0.95 0.9 0 0.95 2.0 -0.65 2.0 -0.65 + +# NVE ensemble +fix 1 all nve/asphere +fix 2 all langevin ${T} ${T} 2.5 457145 angmom 10 +fix 2 all langevin 0.1 ${T} 2.5 457145 angmom 10 +fix 2 all langevin 0.1 0.1 2.5 457145 angmom 10 + +timestep 1e-5 + +#comm_style tiled +fix 3 all balance 1000 1.03 shift xyz 10 1.03 +comm_modify cutoff 3.8 + +compute quat all property/atom quatw quati quatj quatk + +compute erot all erotate/asphere +compute ekin all ke +compute epot all pe +variable erot equal c_erot +variable ekin equal c_ekin +variable epot equal c_epot +variable etot equal c_erot+c_ekin+c_epot +fix 5 all print ${efreq} "$(step) ekin = ${ekin} | erot = ${erot} | epot = ${epot} | etot = ${etot}" screen yes +fix 5 all print 1000 "$(step) ekin = ${ekin} | erot = ${erot} | epot = ${epot} | etot = ${etot}" screen yes + +dump out all custom ${ofreq} out.${number}.lammpstrj id mol type x y z ix iy iz vx vy vz c_quat[1] c_quat[2] c_quat[3] c_quat[4] angmomx angmomy angmomz +dump out all custom 1000 out.${number}.lammpstrj id mol type x y z ix iy iz vx vy vz c_quat[1] c_quat[2] c_quat[3] c_quat[4] angmomx angmomy angmomz +dump out all custom 1000 out.2.lammpstrj id mol type x y z ix iy iz vx vy vz c_quat[1] c_quat[2] c_quat[3] c_quat[4] angmomx angmomy angmomz +dump_modify out sort id +dump_modify out format line "%d %d %d %22.15le %22.15le %22.15le %d %d %d %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le" + +run 1000000 +Neighbor list info ... + update every 1 steps, delay 0 steps, check yes + max neighbors/atom: 2000, page size: 100000 + master list distance cutoff = 2.9560004 + ghost atom cutoff = 3.8 + binsize = 1.4780002, bins = 28 28 28 + 4 neighbor lists, perpetual/occasional/extra = 4 0 0 + (1) pair oxdna/excv, perpetual + attributes: half, newton on + pair build: half/bin/newton + stencil: half/bin/3d + bin: standard + (2) pair oxdna/hbond, perpetual, copy from (1) + attributes: half, newton on + pair build: copy + stencil: none + bin: none + (3) pair oxdna/xstk, perpetual, copy from (1) + attributes: half, newton on + pair build: copy + stencil: none + bin: none + (4) pair oxdna/coaxstk, perpetual, copy from (1) + attributes: half, newton on + pair build: copy + stencil: none + bin: none +0 ekin = 2.70475393009871 | erot = 2.80172072918779 | epot = -21.9967648054699 | etot = -16.4902901461834 +Per MPI rank memory allocation (min/avg/max) = 9.076 | 9.076 | 9.076 Mbytes +Step Temp E_pair E_mol TotEng Press Volume + 0 0.12021129 -1.3914531 0.016655298 -1.2057507 5.174549e-05 64000 +1000 ekin = 2.68462004451395 | erot = 2.58605420555131 | epot = -21.8105393794712 | etot = -16.5398651294059 +2000 ekin = 2.60963739095655 | erot = 2.48175619043154 | epot = -21.6459705488588 | etot = -16.5545769674707 +3000 ekin = 2.63989588847182 | erot = 2.46363051573262 | epot = -21.5254922679992 | etot = -16.4219658637948 +4000 ekin = 2.5752038952926 | erot = 2.37178501784054 | epot = -21.4327542438291 | etot = -16.485765330696 +5000 ekin = 2.5044104280733 | erot = 2.08769632851087 | epot = -21.3521450303024 | etot = -16.7600382737182 +6000 ekin = 2.36107642071569 | erot = 2.35003179412404 | epot = -21.2782010260872 | etot = -16.5670928112475 +7000 ekin = 2.37495351372023 | erot = 2.16846238087391 | epot = -21.2534688435259 | etot = -16.7100529489318 +8000 ekin = 2.42775724176586 | erot = 2.14686490397955 | epot = -21.2553298683528 | etot = -16.6807077226074 +9000 ekin = 2.3142246486707 | erot = 1.86378622524029 | epot = -21.2852707364932 | etot = -17.1072598625822 +10000 ekin = 2.3275093348898 | erot = 1.94087852055647 | epot = -21.3429178830636 | etot = -17.0745300276174 +11000 ekin = 2.23983345215335 | erot = 2.16573111806154 | epot = -21.4294123399218 | etot = -17.0238477697069 +12000 ekin = 2.24948652666019 | erot = 2.32563449403283 | epot = -21.5368720528798 | etot = -16.9617510321868 +13000 ekin = 2.31412690264891 | erot = 2.54687184991592 | epot = -21.6246755313501 | etot = -16.7636767787852 +14000 ekin = 2.30456735091103 | erot = 2.82813231901187 | epot = -21.6854822284277 | etot = -16.5527825585048 +15000 ekin = 2.41196948877886 | erot = 2.60315540839479 | epot = -21.7080540027113 | etot = -16.6929291055377 +16000 ekin = 2.32930626459587 | erot = 2.77308393739999 | epot = -21.6887196306943 | etot = -16.5863294286984 +17000 ekin = 2.39617472660395 | erot = 3.03091034756247 | epot = -21.6395184677657 | etot = -16.2124333935992 +18000 ekin = 2.33279500895535 | erot = 3.1434171004899 | epot = -21.574127817026 | etot = -16.0979157075807 +19000 ekin = 2.42845349180333 | erot = 2.98452732659568 | epot = -21.4895578941598 | etot = -16.0765770757608 +20000 ekin = 2.58234763441792 | erot = 3.3325207031799 | epot = -21.3975543217035 | etot = -15.4826859841057 +21000 ekin = 2.64494557638589 | erot = 3.32881968524114 | epot = -21.3229796202748 | etot = -15.3492143586477 +22000 ekin = 2.65030022474653 | erot = 3.26762562263424 | epot = -21.2713919939757 | etot = -15.353466146595 +23000 ekin = 2.74232842321971 | erot = 2.85782586045784 | epot = -21.2433172110302 | etot = -15.6431629273527 +24000 ekin = 2.70913362671027 | erot = 2.56145704641761 | epot = -21.2492397215427 | etot = -15.9786490484148 +25000 ekin = 2.71785549515023 | erot = 2.45020590769015 | epot = -21.2696953560916 | etot = -16.1016339532512 +26000 ekin = 2.80969274934567 | erot = 2.57761600133553 | epot = -21.3121170333525 | etot = -15.9248082826713 +27000 ekin = 2.90228693281852 | erot = 2.52543294446064 | epot = -21.3618959826308 | etot = -15.9341761053517 +28000 ekin = 2.80577992946706 | erot = 2.42942187536898 | epot = -21.4238267965375 | etot = -16.1886249917015 +29000 ekin = 2.84024245066251 | erot = 2.37728970052668 | epot = -21.5220045306242 | etot = -16.304472379435 +30000 ekin = 2.91820846152587 | erot = 2.52858255324276 | epot = -21.6452589795617 | etot = -16.1984679647931 +31000 ekin = 3.01591597087959 | erot = 2.66934437756135 | epot = -21.7837708816785 | etot = -16.0985105332375 +32000 ekin = 3.18554066714549 | erot = 2.70126504453979 | epot = -21.9266237283442 | etot = -16.0398180166589 +33000 ekin = 3.45591097869953 | erot = 3.05486835802111 | epot = -22.0467287622724 | etot = -15.5359494255518 +34000 ekin = 3.47254829729213 | erot = 3.41663527351808 | epot = -22.1468381626759 | etot = -15.2576545918657 +35000 ekin = 3.45946416092998 | erot = 3.21776014393844 | epot = -22.2021645741413 | etot = -15.5249402692728 +36000 ekin = 3.38072119723002 | erot = 2.98891843833273 | epot = -22.2024978629579 | etot = -15.8328582273952 +37000 ekin = 3.29783742910393 | erot = 2.73521555931898 | epot = -22.1657123704833 | etot = -16.1326593820604 +38000 ekin = 3.33959958296015 | erot = 2.61778320328389 | epot = -22.1041970676607 | etot = -16.1468142814167 +39000 ekin = 3.23639805960116 | erot = 2.5837352210672 | epot = -22.009642154348 | etot = -16.1895088736797 +40000 ekin = 3.11586138662867 | erot = 2.1962482086394 | epot = -21.8962581958555 | etot = -16.5841486005874 +41000 ekin = 3.04246623801455 | erot = 2.23321889509941 | epot = -21.8077873635659 | etot = -16.5321022304519 +42000 ekin = 2.84983279602745 | erot = 2.80264211079691 | epot = -21.7482556058168 | etot = -16.0957806989925 +43000 ekin = 2.79124232412404 | erot = 2.40517464805213 | epot = -21.7040912326958 | etot = -16.5076742605196 +44000 ekin = 2.66237577064427 | erot = 2.48075679823098 | epot = -21.6865985692201 | etot = -16.5434660003448 +45000 ekin = 2.579411834329 | erot = 2.5121056113297 | epot = -21.7100580821223 | etot = -16.6185406364636 +46000 ekin = 2.73276177831298 | erot = 2.72002755015629 | epot = -21.7400457171798 | etot = -16.2872563887106 +47000 ekin = 2.64234876254597 | erot = 2.59091566156281 | epot = -21.7975985084292 | etot = -16.5643340843204 +48000 ekin = 2.59173469012523 | erot = 2.43590670780649 | epot = -21.8709604205578 | etot = -16.8433190226261 +49000 ekin = 2.72309795319077 | erot = 2.23156431391332 | epot = -21.9468429014909 | etot = -16.9921806343868 +50000 ekin = 2.84714836170722 | erot = 1.99663528516202 | epot = -22.0121784873832 | etot = -17.168394840514 +51000 ekin = 2.89884791688876 | erot = 1.91491454776672 | epot = -22.0530950349948 | etot = -17.2393325703393 +52000 ekin = 3.03617525579662 | erot = 2.19848391536797 | epot = -22.0866976985223 | etot = -16.8520385273577 +53000 ekin = 2.99175374915047 | erot = 2.39711100098153 | epot = -22.1010575333115 | etot = -16.7121927831795 +54000 ekin = 2.99574935861407 | erot = 2.32745187661854 | epot = -22.1028140124058 | etot = -16.7796127771732 +55000 ekin = 2.99570982560695 | erot = 2.49897185698994 | epot = -22.1057238568571 | etot = -16.6110421742602 +56000 ekin = 2.94925439949793 | erot = 2.44012089769549 | epot = -22.0870769441158 | etot = -16.6977016469224 +57000 ekin = 2.94734500065243 | erot = 2.12984920172195 | epot = -22.0412734212002 | etot = -16.9640792188258 +58000 ekin = 2.81955133884049 | erot = 2.13458872869615 | epot = -21.9788636009449 | etot = -17.0247235334082 +59000 ekin = 2.70811531854742 | erot = 2.38980716247399 | epot = -21.8949081752974 | etot = -16.796985694276 +60000 ekin = 2.70414157935554 | erot = 2.55940091198388 | epot = -21.7861093627117 | etot = -16.5225668713722 +61000 ekin = 2.65859389245701 | erot = 2.53396073555874 | epot = -21.6569039895119 | etot = -16.4643493614962 +62000 ekin = 2.60219558362534 | erot = 2.22515394919036 | epot = -21.5116333689023 | etot = -16.6842838360866 +63000 ekin = 2.63153399947693 | erot = 2.22422110021199 | epot = -21.3652621775791 | etot = -16.5095070778902 +64000 ekin = 2.74532788694554 | erot = 2.18523109551402 | epot = -21.2714335683309 | etot = -16.3408745858713 +65000 ekin = 2.7205493838435 | erot = 2.07343889460204 | epot = -21.2024805852124 | etot = -16.4084923067669 +66000 ekin = 2.58244112846423 | erot = 2.07735193876553 | epot = -21.1764160570954 | etot = -16.5166229898656 +67000 ekin = 2.57755413160872 | erot = 2.44046690225443 | epot = -21.1906023260749 | etot = -16.1725812922118 +68000 ekin = 2.48736395314823 | erot = 2.12758461162304 | epot = -21.2185147422317 | etot = -16.6035661774605 +69000 ekin = 2.41843849956023 | erot = 2.18515112080921 | epot = -21.2498143720114 | etot = -16.6462247516419 +70000 ekin = 2.42405639999479 | erot = 1.9565032993001 | epot = -21.2748182794301 | etot = -16.8942585801352 +71000 ekin = 2.43121308276013 | erot = 1.85632548443178 | epot = -21.3045707498284 | etot = -17.0170321826365 +72000 ekin = 2.5000870368839 | erot = 1.5991945591491 | epot = -21.3493737552796 | etot = -17.2500921592466 +73000 ekin = 2.68616751062557 | erot = 1.88927937064781 | epot = -21.3998788656788 | etot = -16.8244319844054 +74000 ekin = 2.72642650296669 | erot = 1.98526997108517 | epot = -21.439395334657 | etot = -16.7276988606051 +75000 ekin = 2.82872762184213 | erot = 2.08391491924428 | epot = -21.4749344303949 | etot = -16.5622918893085 +76000 ekin = 2.90099143523699 | erot = 2.16095088121795 | epot = -21.4935371507519 | etot = -16.431594834297 +77000 ekin = 3.18544250151153 | erot = 2.00037055601337 | epot = -21.4789486218771 | etot = -16.2931355643522 +78000 ekin = 3.25276485916348 | erot = 2.04037410610699 | epot = -21.4312552501158 | etot = -16.1381162848453 +79000 ekin = 3.31064968204676 | erot = 2.17606310098547 | epot = -21.3489462542885 | etot = -15.8622334712563 +80000 ekin = 3.25017314792773 | erot = 1.78411830235593 | epot = -21.2684346239656 | etot = -16.2341431736819 +81000 ekin = 3.28475664530889 | erot = 1.6269439305135 | epot = -21.2092459483417 | etot = -16.2975453725193 +82000 ekin = 3.22905109952644 | erot = 1.53744252292452 | epot = -21.2050298148135 | etot = -16.4385361923625 +83000 ekin = 3.23231520762086 | erot = 1.77352705563456 | epot = -21.2433468675556 | etot = -16.2375046043002 +84000 ekin = 3.26867693921993 | erot = 1.72038623835529 | epot = -21.2969079823479 | etot = -16.3078448047727 +85000 ekin = 3.24886887492843 | erot = 1.71422228707811 | epot = -21.348730473811 | etot = -16.3856393118045 +86000 ekin = 3.37388966908809 | erot = 2.05166004106914 | epot = -21.4140353196308 | etot = -15.9884856094735 +87000 ekin = 3.32398602808495 | erot = 2.11391553019111 | epot = -21.5044251629371 | etot = -16.0665236046611 +88000 ekin = 3.37321522230425 | erot = 1.88481910803278 | epot = -21.6374519675635 | etot = -16.3794176372264 +89000 ekin = 3.40287848450242 | erot = 1.74012560118449 | epot = -21.7814074383677 | etot = -16.6384033526808 +90000 ekin = 3.56172892861223 | erot = 2.10522136125784 | epot = -21.9615291243628 | etot = -16.2945788344928 +91000 ekin = 3.55669957238093 | erot = 2.42086123522057 | epot = -22.1511779304614 | etot = -16.1736171228599 +92000 ekin = 3.6423779131713 | erot = 2.65970416317374 | epot = -22.3488733671942 | etot = -16.0467912908492 +93000 ekin = 3.71183685172061 | erot = 2.62133287897562 | epot = -22.5092709223126 | etot = -16.1761011916163 +94000 ekin = 3.68157545521779 | erot = 2.4553153988724 | epot = -22.6307602436275 | etot = -16.4938693895373 +95000 ekin = 3.60128502265547 | erot = 2.60141757186749 | epot = -22.7389627643834 | etot = -16.5362601698605 +96000 ekin = 3.53126429160544 | erot = 2.72315885473469 | epot = -22.817764620346 | etot = -16.5633414740059 +97000 ekin = 3.4733587719158 | erot = 2.74980204474205 | epot = -22.8599102318749 | etot = -16.636749415217 +98000 ekin = 3.36569576671696 | erot = 2.64094316029087 | epot = -22.8536591989748 | etot = -16.8470202719669 +99000 ekin = 3.17486973109315 | erot = 2.83643491109138 | epot = -22.8212456182643 | etot = -16.8099409760798 +100000 ekin = 2.98877854809326 | erot = 2.8502739133799 | epot = -22.7838710680404 | etot = -16.9448186065672 +101000 ekin = 2.80581049577973 | erot = 2.78036845929874 | epot = -22.7080420278473 | etot = -17.1218630727688 +102000 ekin = 2.61146211544526 | erot = 3.14391622209059 | epot = -22.5804486115114 | etot = -16.8250702739755 +103000 ekin = 2.52473332619733 | erot = 3.13557205223546 | epot = -22.4165363785398 | etot = -16.756231000107 +104000 ekin = 2.38813618870064 | erot = 2.81177058896972 | epot = -22.253348909294 | etot = -17.0534421316236 +105000 ekin = 2.27037902349684 | erot = 2.38822666643154 | epot = -22.0942448767486 | etot = -17.4356391868202 +106000 ekin = 2.14052224393176 | erot = 2.10858697946665 | epot = -21.9851740201843 | etot = -17.7360647967859 +107000 ekin = 2.0606875579471 | erot = 2.32025367575515 | epot = -21.9181411680675 | etot = -17.5371999343652 +108000 ekin = 2.16310171427444 | erot = 2.45914268610289 | epot = -21.8972466640829 | etot = -17.2750022637055 +109000 ekin = 2.16408281408934 | erot = 2.39028083194269 | epot = -21.9223151975609 | etot = -17.3679515515289 +110000 ekin = 2.27703874503429 | erot = 2.02252280342046 | epot = -21.9984748890034 | etot = -17.6989133405487 +111000 ekin = 2.42168812145148 | erot = 2.08603766327776 | epot = -22.1196725497682 | etot = -17.6119467650389 +112000 ekin = 2.55041354840496 | erot = 2.05316660200933 | epot = -22.2467875616205 | etot = -17.6432074112062 +113000 ekin = 2.65118330223835 | erot = 1.84663307233114 | epot = -22.3714662854257 | etot = -17.8736499108562 +114000 ekin = 2.75066239210875 | erot = 2.06979110412731 | epot = -22.4757786127357 | etot = -17.6553251164996 +115000 ekin = 2.74969592573214 | erot = 2.20672640542628 | epot = -22.5825353241201 | etot = -17.6261129929616 +116000 ekin = 2.83312076133629 | erot = 2.23062165851058 | epot = -22.6813212117304 | etot = -17.6175787918835 +117000 ekin = 2.88175954095811 | erot = 2.38703791420887 | epot = -22.7694466083741 | etot = -17.5006491532071 +118000 ekin = 2.93568625662289 | erot = 2.26039492756773 | epot = -22.8432426400157 | etot = -17.6471614558251 +119000 ekin = 3.19523724062632 | erot = 2.22567760232918 | epot = -22.8880366342743 | etot = -17.4671217913188 +120000 ekin = 3.17008032268755 | erot = 2.25532705796806 | epot = -22.9065026704633 | etot = -17.4810952898077 +121000 ekin = 3.22925408627794 | erot = 2.42139198931066 | epot = -22.9068338710661 | etot = -17.2561877954775 +122000 ekin = 3.16756628646271 | erot = 2.29253955659868 | epot = -22.9100933328212 | etot = -17.4499874897599 +123000 ekin = 3.1388698885873 | erot = 1.87373916792771 | epot = -22.9201354096178 | etot = -17.9075263531028 +124000 ekin = 3.07340133048028 | erot = 2.07486210586024 | epot = -22.9196688561523 | etot = -17.7714054198118 +125000 ekin = 3.01797638857702 | erot = 1.75538270899542 | epot = -22.9139839700497 | etot = -18.1406248724773 +126000 ekin = 2.96636842974594 | erot = 1.89046865067191 | epot = -22.9078794876243 | etot = -18.0510424072065 +127000 ekin = 2.99891017927356 | erot = 1.92488638621193 | epot = -22.8780661376737 | etot = -17.9542695721882 +128000 ekin = 3.07056715413786 | erot = 1.99149347655671 | epot = -22.8571726497157 | etot = -17.7951120190211 +129000 ekin = 3.004345959888 | erot = 1.94814247853281 | epot = -22.8246013230693 | etot = -17.8721128846485 +130000 ekin = 2.83701493144516 | erot = 2.50342892051144 | epot = -22.760915431814 | etot = -17.4204715798574 +131000 ekin = 2.72472484234373 | erot = 2.70734329989557 | epot = -22.6636087699673 | etot = -17.231540627728 +132000 ekin = 2.62389553593816 | erot = 2.52695276027318 | epot = -22.5087045821917 | etot = -17.3578562859804 +133000 ekin = 2.63528199515899 | erot = 2.39127524409793 | epot = -22.2966493236603 | etot = -17.2700920844034 +134000 ekin = 2.50610716876237 | erot = 2.09594811418198 | epot = -22.0718067043304 | etot = -17.469751421386 +135000 ekin = 2.48472772183193 | erot = 2.14881599404776 | epot = -21.8608678335616 | etot = -17.2273241176819 +136000 ekin = 2.53382275845191 | erot = 1.74309578227989 | epot = -21.6765558191783 | etot = -17.3996372784465 +137000 ekin = 2.57036342314515 | erot = 1.7588568598538 | epot = -21.5407454007373 | etot = -17.2115251177384 +138000 ekin = 2.52929445682248 | erot = 1.9194597735102 | epot = -21.4409011955174 | etot = -16.9921469651847 +139000 ekin = 2.57663737105062 | erot = 1.80679457632207 | epot = -21.3860974283602 | etot = -17.0026654809875 +140000 ekin = 2.62053160118783 | erot = 1.51774101989576 | epot = -21.3676503668329 | etot = -17.2293777457493 +141000 ekin = 2.6118920049466 | erot = 1.5506551574555 | epot = -21.3802632860277 | etot = -17.2177161236256 +142000 ekin = 2.51798883678619 | erot = 1.67942283127776 | epot = -21.4214580445684 | etot = -17.2240463765044 +143000 ekin = 2.49892771964518 | erot = 1.52127122899831 | epot = -21.4923083558109 | etot = -17.4721094071674 +144000 ekin = 2.54740250437642 | erot = 1.82241986650803 | epot = -21.6130145049208 | etot = -17.2431921340363 +145000 ekin = 2.56862853368623 | erot = 2.14471322493978 | epot = -21.7452461002774 | etot = -17.0319043416514 +146000 ekin = 2.67329509039847 | erot = 2.25975512947148 | epot = -21.8437012603417 | etot = -16.9106510404717 +147000 ekin = 2.68893868818078 | erot = 2.55718401446969 | epot = -21.9010658016926 | etot = -16.6549430990422 +148000 ekin = 2.81386130771021 | erot = 2.5983058482173 | epot = -21.9210519662198 | etot = -16.5088848102923 +149000 ekin = 2.74990137245699 | erot = 2.32741538507081 | epot = -21.9278539711832 | etot = -16.8505372136554 +150000 ekin = 2.69038170783773 | erot = 2.42676335467449 | epot = -21.8989948167631 | etot = -16.7818497542509 +151000 ekin = 2.66678982895832 | erot = 2.39492028203076 | epot = -21.7008835367967 | etot = -16.6391734258076 +152000 ekin = 2.67029595868374 | erot = 2.53847066662008 | epot = -21.5894578659902 | etot = -16.3806912406864 +153000 ekin = 2.70694158654279 | erot = 2.72265775556547 | epot = -21.7448041240557 | etot = -16.3152047819475 +154000 ekin = 2.79926075391893 | erot = 2.75974679901157 | epot = -21.8203547485971 | etot = -16.2613471956666 +155000 ekin = 2.72511299719383 | erot = 2.88818303221421 | epot = -21.7319777070931 | etot = -16.118681677685 +156000 ekin = 2.65694010664888 | erot = 2.78004189782702 | epot = -21.6308520721295 | etot = -16.1938700676536 +157000 ekin = 2.56365508198589 | erot = 2.71035147954075 | epot = -21.5253087387148 | etot = -16.2513021771881 +158000 ekin = 2.57548107386937 | erot = 2.73764982143024 | epot = -21.438245204372 | etot = -16.1251143090724 +159000 ekin = 2.55799392432019 | erot = 2.92697271834242 | epot = -21.3737314732349 | etot = -15.8887648305723 +160000 ekin = 2.5467948620766 | erot = 2.80531497281545 | epot = -21.3130996693779 | etot = -15.9609898344858 +161000 ekin = 2.47207886924359 | erot = 2.90722613339808 | epot = -21.2672221196596 | etot = -15.8879171170179 +162000 ekin = 2.51623650472988 | erot = 2.57045306394746 | epot = -21.2288584749413 | etot = -16.1421689062639 +163000 ekin = 2.52126404883992 | erot = 2.48352069988724 | epot = -21.2217116449121 | etot = -16.2169268961849 +164000 ekin = 2.53114565385924 | erot = 2.34165200793299 | epot = -21.2429890011705 | etot = -16.3701913393782 +165000 ekin = 2.59660343236104 | erot = 2.12645014227906 | epot = -21.2869963722376 | etot = -16.5639427975975 +166000 ekin = 2.69364521809343 | erot = 2.06502693559814 | epot = -21.3443825816708 | etot = -16.5857104279792 +167000 ekin = 2.72157576348886 | erot = 2.11628142912493 | epot = -21.4170430149546 | etot = -16.5791858223408 +168000 ekin = 2.74006852516302 | erot = 2.16126360687329 | epot = -21.509919793566 | etot = -16.6085876615297 +169000 ekin = 2.84315657816746 | erot = 1.97243923170443 | epot = -21.59492652498 | etot = -16.7793307151081 +170000 ekin = 3.06124015523339 | erot = 1.92459124184589 | epot = -21.6783552680507 | etot = -16.6925238709714 +171000 ekin = 3.21151355702374 | erot = 1.59351420769781 | epot = -21.7622259493219 | etot = -16.9571981846004 +172000 ekin = 3.3654441272643 | erot = 1.67007198308062 | epot = -21.8306762430334 | etot = -16.7951601326884 +173000 ekin = 3.41001134336526 | erot = 1.87953941868167 | epot = -21.8787020007149 | etot = -16.5891512386679 +174000 ekin = 3.46376447230266 | erot = 1.96688973070297 | epot = -21.9078990210444 | etot = -16.4772448180388 +175000 ekin = 3.47678931181566 | erot = 1.55890709488258 | epot = -21.8850180737497 | etot = -16.8493216670515 +176000 ekin = 3.20686196070563 | erot = 1.54933373538606 | epot = -21.833097887743 | etot = -17.0769021916513 +177000 ekin = 3.13331042952683 | erot = 1.28865733070242 | epot = -21.7390998162159 | etot = -17.3171320559867 +178000 ekin = 3.06763392821185 | erot = 1.26897291328759 | epot = -21.6342141405497 | etot = -17.2976072990502 +179000 ekin = 3.02674753152243 | erot = 1.57409428962025 | epot = -21.5270591512612 | etot = -16.9262173301185 +180000 ekin = 3.03569853606404 | erot = 1.67758058394333 | epot = -21.4169893849025 | etot = -16.7037102648951 +181000 ekin = 2.85389178964194 | erot = 1.75333728320479 | epot = -21.3395105909861 | etot = -16.7322815181393 +182000 ekin = 2.74244371300251 | erot = 1.80493411676471 | epot = -21.2869584133412 | etot = -16.739580583574 +183000 ekin = 2.76150374616104 | erot = 1.81761006388012 | epot = -21.2282765342437 | etot = -16.6491627242026 +184000 ekin = 2.6920627409771 | erot = 1.86375380676953 | epot = -21.1764923592868 | etot = -16.6206758115401 +185000 ekin = 2.62052583157023 | erot = 2.07457833425488 | epot = -21.1511718680907 | etot = -16.4560677022656 +186000 ekin = 2.54874716739381 | erot = 2.15191323422238 | epot = -21.1297031986501 | etot = -16.4290427970339 +187000 ekin = 2.47899352285441 | erot = 2.12131864753492 | epot = -21.1527973741678 | etot = -16.5524852037784 +188000 ekin = 2.40242843893261 | erot = 2.28274972847711 | epot = -21.2023943736365 | etot = -16.5172162062268 +189000 ekin = 2.24542511336515 | erot = 2.32237220121109 | epot = -21.2650187542767 | etot = -16.6972214397005 +190000 ekin = 2.27331885209499 | erot = 2.46101053776368 | epot = -21.3641240186243 | etot = -16.6297946287656 +191000 ekin = 2.38811474192599 | erot = 2.65597612519358 | epot = -21.4523608275388 | etot = -16.4082699604192 +192000 ekin = 2.3549239595916 | erot = 3.12866296082007 | epot = -21.5455989503755 | etot = -16.0620120299638 +193000 ekin = 2.33255266209791 | erot = 3.16650140028564 | epot = -21.6305745065442 | etot = -16.1315204441607 +194000 ekin = 2.36641654499892 | erot = 3.75512105430474 | epot = -21.7057940648227 | etot = -15.584256465519 +195000 ekin = 2.27714091943438 | erot = 4.22857583198259 | epot = -21.7506289706187 | etot = -15.2449122192017 +196000 ekin = 2.25022759887657 | erot = 4.197210474691 | epot = -21.7392596229739 | etot = -15.2918215494064 +197000 ekin = 2.13566163028458 | erot = 3.96282097735918 | epot = -21.6861725112142 | etot = -15.5876899035705 +198000 ekin = 2.10026477174317 | erot = 3.46946292854126 | epot = -21.6151658929783 | etot = -16.0454381926939 +199000 ekin = 2.06841069526386 | erot = 3.0262194981423 | epot = -21.5580043865079 | etot = -16.4633741931017 +200000 ekin = 2.07457887577972 | erot = 3.15632875079837 | epot = -21.5271681184488 | etot = -16.2962604918707 +201000 ekin = 2.2286516977074 | erot = 2.68086789208479 | epot = -21.5402772694358 | etot = -16.6307576796436 +202000 ekin = 2.21344680386073 | erot = 2.70841026008594 | epot = -21.5670967607415 | etot = -16.6452396967948 +203000 ekin = 2.29378527554839 | erot = 2.48093430470292 | epot = -21.5962341727993 | etot = -16.821514592548 +204000 ekin = 2.25828607560497 | erot = 2.50063815518557 | epot = -21.6380337966634 | etot = -16.8791095658729 +205000 ekin = 2.39913678175089 | erot = 2.62281981805078 | epot = -21.683813369519 | etot = -16.6618567697173 +206000 ekin = 2.51393947992592 | erot = 2.55239552126193 | epot = -21.7215385309814 | etot = -16.6552035297935 +207000 ekin = 2.55579745831532 | erot = 2.31728514006588 | epot = -21.7786985680233 | etot = -16.9056159696421 +208000 ekin = 2.61391306966581 | erot = 2.1077783534523 | epot = -21.7882764620355 | etot = -17.0665850389174 +209000 ekin = 2.67160585819063 | erot = 2.09388960655155 | epot = -21.8382664978831 | etot = -17.0727710331409 +210000 ekin = 2.82942438299545 | erot = 2.1332798417475 | epot = -21.9979383135581 | etot = -17.0352340888151 +211000 ekin = 2.92049266864331 | erot = 2.12124523148435 | epot = -22.2280513777041 | etot = -17.1863134775764 +212000 ekin = 3.00277061822753 | erot = 2.39488452737936 | epot = -22.4022759841392 | etot = -17.0046208385323 +213000 ekin = 3.13095859457287 | erot = 2.47163847125446 | epot = -22.5628987907077 | etot = -16.9603017248804 +214000 ekin = 3.23740343206459 | erot = 2.34793353448049 | epot = -22.7059476770017 | etot = -17.1206107104567 +215000 ekin = 3.25450904082689 | erot = 2.26222657254672 | epot = -22.8087885080488 | etot = -17.2920528946752 +216000 ekin = 3.33545375500922 | erot = 2.25051135075644 | epot = -22.8910607863362 | etot = -17.3050956805706 +217000 ekin = 3.40631462781493 | erot = 2.45810884416291 | epot = -22.9502612260087 | etot = -17.0858377540309 +218000 ekin = 3.44211621843067 | erot = 2.40223178526927 | epot = -22.9724005123081 | etot = -17.1280525086081 +219000 ekin = 3.35851747520076 | erot = 2.3622312326842 | epot = -22.9879332629404 | etot = -17.2671845550554 +220000 ekin = 3.28339440391154 | erot = 2.48348910158814 | epot = -22.986593738954 | etot = -17.2197102334543 +221000 ekin = 3.198245625619 | erot = 2.63802923468672 | epot = -22.9470020981348 | etot = -17.110727237829 +222000 ekin = 3.05410812074651 | erot = 2.59372727399077 | epot = -22.8798801579579 | etot = -17.2320447632207 +223000 ekin = 3.01415969068794 | erot = 2.70890225393109 | epot = -22.7801464118766 | etot = -17.0570844672575 +224000 ekin = 2.97180261675447 | erot = 2.69506479286081 | epot = -22.6737182851748 | etot = -17.0068508755595 +225000 ekin = 2.90964642881875 | erot = 2.70979121573934 | epot = -22.612285165109 | etot = -16.9928475205509 +226000 ekin = 2.79266706207819 | erot = 2.54927288052965 | epot = -22.6113896624579 | etot = -17.2694497198501 +227000 ekin = 2.76947170660886 | erot = 2.30328015123561 | epot = -22.6467409582567 | etot = -17.5739891004122 +228000 ekin = 2.7832504737585 | erot = 2.27271216177594 | epot = -22.7198790647035 | etot = -17.6639164291691 +229000 ekin = 2.76112130647936 | erot = 2.39217451148943 | epot = -22.800187069951 | etot = -17.6468912519822 +230000 ekin = 2.84369730914533 | erot = 2.42541769291403 | epot = -22.8608578528069 | etot = -17.5917428507475 +231000 ekin = 2.92519379372223 | erot = 2.78019508855845 | epot = -22.8903712559506 | etot = -17.1849823736699 +232000 ekin = 2.92995659411171 | erot = 2.33228808377081 | epot = -22.8760374316386 | etot = -17.6137927537561 +233000 ekin = 2.87287398890689 | erot = 2.17970441616606 | epot = -22.8206945159734 | etot = -17.7681161109005 +234000 ekin = 2.91717500618601 | erot = 2.07964949395221 | epot = -22.7337466562912 | etot = -17.7369221561529 +235000 ekin = 2.88849956347635 | erot = 1.87559177144718 | epot = -22.6649585599089 | etot = -17.9008672249854 +236000 ekin = 2.84502452090031 | erot = 1.92993964719777 | epot = -22.5730839299947 | etot = -17.7981197618967 +237000 ekin = 2.77478670759652 | erot = 2.00862555824023 | epot = -22.4470131017475 | etot = -17.6636008359107 +238000 ekin = 2.77623252972575 | erot = 1.85781358406499 | epot = -22.3442251833764 | etot = -17.7101790695857 +239000 ekin = 2.72624274520992 | erot = 1.82537539862901 | epot = -22.3075370346697 | etot = -17.7559188908307 +240000 ekin = 2.68874575599075 | erot = 2.08791431147569 | epot = -22.3178202354352 | etot = -17.5411601679687 +241000 ekin = 2.71558535720495 | erot = 2.36223789024911 | epot = -22.3776608268974 | etot = -17.2998375794433 +242000 ekin = 2.74214545076415 | erot = 2.69467452470383 | epot = -22.4730205135828 | etot = -17.0362005381148 +243000 ekin = 2.65488365755478 | erot = 3.08626659584903 | epot = -22.605422439735 | etot = -16.8642721863312 +244000 ekin = 2.61050010484592 | erot = 3.05400040440767 | epot = -22.762213943954 | etot = -17.0977134347004 +245000 ekin = 2.51883913658102 | erot = 3.07372030776082 | epot = -22.93079044948 | etot = -17.3382310051381 +246000 ekin = 2.44808144989848 | erot = 2.89693270460537 | epot = -23.0903087154633 | etot = -17.7452945609595 +247000 ekin = 2.37103549600031 | erot = 2.98987101470683 | epot = -23.216715536478 | etot = -17.8558090257709 +248000 ekin = 2.35707290060468 | erot = 2.62430509692226 | epot = -23.3107153472031 | etot = -18.3293373496762 +249000 ekin = 2.34573908311314 | erot = 2.54079763553298 | epot = -23.3554639865934 | etot = -18.4689272679472 +250000 ekin = 2.19516079867438 | erot = 2.53320956727959 | epot = -23.3422435052509 | etot = -18.6138731392969 +251000 ekin = 2.2015799284815 | erot = 2.54497162272742 | epot = -23.289551982172 | etot = -18.5430004309631 +252000 ekin = 2.29455365978426 | erot = 2.27849916282306 | epot = -23.2346327540813 | etot = -18.661579931474 +253000 ekin = 2.24131781303676 | erot = 2.67744517517057 | epot = -23.177227339145 | etot = -18.2584643509377 +254000 ekin = 2.21098192296324 | erot = 2.82095770992414 | epot = -23.1168686504971 | etot = -18.0849290176097 +255000 ekin = 2.19143060711986 | erot = 2.87369415644557 | epot = -23.0553324396615 | etot = -17.990207676096 +256000 ekin = 2.10428673283309 | erot = 2.52844816611576 | epot = -22.9892098264869 | etot = -18.356474927538 +257000 ekin = 2.09018787690756 | erot = 2.57115406533208 | epot = -22.9241936332315 | etot = -18.2628516909919 +258000 ekin = 2.19626617792803 | erot = 2.13919571497513 | epot = -22.8452199017342 | etot = -18.509758008831 +259000 ekin = 2.21294203759043 | erot = 2.07911733890816 | epot = -22.7764097043272 | etot = -18.4843503278286 +260000 ekin = 2.2298812463553 | erot = 1.88363114769134 | epot = -22.7226746972068 | etot = -18.6091623031601 +261000 ekin = 2.23359219993351 | erot = 1.70662190809948 | epot = -22.686593359404 | etot = -18.746379251371 +262000 ekin = 2.41035894748682 | erot = 1.75350704630808 | epot = -22.665573108355 | etot = -18.5017071145601 +263000 ekin = 2.54297814673107 | erot = 1.63910792627695 | epot = -22.6660944245488 | etot = -18.4840083515408 +264000 ekin = 2.6204802717585 | erot = 1.60167126997731 | epot = -22.6963818864547 | etot = -18.4742303447189 +265000 ekin = 2.6339595158455 | erot = 1.61464895664045 | epot = -22.7525488508232 | etot = -18.5039403783373 +266000 ekin = 2.66249523510551 | erot = 1.90346143383776 | epot = -22.8357396370455 | etot = -18.2697829681022 +267000 ekin = 2.84840089865297 | erot = 1.9697381438014 | epot = -22.922895038939 | etot = -18.1047559964847 +268000 ekin = 2.88773992899444 | erot = 2.23404496611545 | epot = -23.0126109152364 | etot = -17.8908260201265 +269000 ekin = 2.95881152251259 | erot = 2.36308023135752 | epot = -23.0806209903755 | etot = -17.7587292365054 +270000 ekin = 3.19922667657043 | erot = 2.31987744595641 | epot = -23.0997207459548 | etot = -17.5806166234279 +271000 ekin = 3.30474443531607 | erot = 2.18146213267909 | epot = -23.0923869412848 | etot = -17.6061803732897 +272000 ekin = 3.38316630950222 | erot = 2.27626381008289 | epot = -23.0565644655524 | etot = -17.3971343459673 +273000 ekin = 3.44314429393663 | erot = 2.33103394910053 | epot = -22.998686348507 | etot = -17.2245081054698 +274000 ekin = 3.29733836463991 | erot = 2.3546068741269 | epot = -22.9061895162167 | etot = -17.2542442774499 +275000 ekin = 3.20483849389297 | erot = 2.17592485213262 | epot = -22.8033610976752 | etot = -17.4225977516496 +276000 ekin = 3.17952696643841 | erot = 2.53631962219384 | epot = -22.6964713302163 | etot = -16.980624741584 +277000 ekin = 3.04779312524477 | erot = 2.63224846283747 | epot = -22.5925250147671 | etot = -16.9124834266848 +278000 ekin = 2.88882241520594 | erot = 2.4429576877197 | epot = -22.5096077221471 | etot = -17.1778276192215 +279000 ekin = 2.7445805924286 | erot = 2.3468901491402 | epot = -22.4433740610139 | etot = -17.3519033194451 +280000 ekin = 2.7554105836729 | erot = 2.4011898984753 | epot = -22.3855374270778 | etot = -17.2289369449296 +281000 ekin = 2.66532300538253 | erot = 2.21704056459403 | epot = -22.3765161892641 | etot = -17.4941526192875 +282000 ekin = 2.60731940802889 | erot = 2.15906154555096 | epot = -22.392902036019 | etot = -17.6265210824392 +283000 ekin = 2.58513425203906 | erot = 2.06481653587231 | epot = -22.4081967019538 | etot = -17.7582459140425 +284000 ekin = 2.54858019457336 | erot = 2.24572478450568 | epot = -22.4445919263858 | etot = -17.6502869473068 +285000 ekin = 2.55758171617774 | erot = 2.76460913859724 | epot = -22.5141586593919 | etot = -17.1919678046169 +286000 ekin = 2.60821734500493 | erot = 3.16634932217225 | epot = -22.5929692498765 | etot = -16.8184025826993 +287000 ekin = 2.49254766601104 | erot = 3.15514661858268 | epot = -22.6449148716492 | etot = -16.9972205870554 +288000 ekin = 2.50066439821538 | erot = 3.4971940395516 | epot = -22.6803477105654 | etot = -16.6824892727984 +289000 ekin = 2.44598353504064 | erot = 3.34215032544757 | epot = -22.6895361095334 | etot = -16.9014022490452 +290000 ekin = 2.39359823072712 | erot = 3.1126844030724 | epot = -22.6698244131813 | etot = -17.1635417793818 +291000 ekin = 2.42617011831441 | erot = 2.85487514428664 | epot = -22.6626122342504 | etot = -17.3815669716493 +292000 ekin = 2.40772687076927 | erot = 2.75801742060114 | epot = -22.6754806613925 | etot = -17.5097363700221 +293000 ekin = 2.42154585346455 | erot = 2.56313321462444 | epot = -22.7028245536538 | etot = -17.7181454855648 +294000 ekin = 2.4728309166701 | erot = 2.92407822599839 | epot = -22.7233881302524 | etot = -17.3264789875839 +295000 ekin = 2.48250330737214 | erot = 2.66001264724756 | epot = -22.7516848410686 | etot = -17.6091688864489 +296000 ekin = 2.50738582337497 | erot = 2.53234484293205 | epot = -22.7873334660358 | etot = -17.7476027997287 +297000 ekin = 2.57517392062601 | erot = 2.82176475993532 | epot = -22.8071785750426 | etot = -17.4102398944812 +298000 ekin = 2.64719948459859 | erot = 2.59986611083047 | epot = -22.8000961016266 | etot = -17.5530305061975 +299000 ekin = 2.57794949271972 | erot = 2.50163391190629 | epot = -22.777423569021 | etot = -17.697840164395 +300000 ekin = 2.54202853433712 | erot = 2.50188796046296 | epot = -22.7359935186374 | etot = -17.6920770238373 +301000 ekin = 2.53853550508107 | erot = 2.33138966267648 | epot = -22.668055568127 | etot = -17.7981304003695 +302000 ekin = 2.54164672579203 | erot = 2.35968144693483 | epot = -22.6002854710846 | etot = -17.6989572983578 +303000 ekin = 2.55152004910016 | erot = 2.25570939719585 | epot = -22.5464912065881 | etot = -17.7392617602921 +304000 ekin = 2.43742201255282 | erot = 1.93302414776497 | epot = -22.4953520351473 | etot = -18.1249058748295 +305000 ekin = 2.37256740983357 | erot = 1.9990668631018 | epot = -22.4852720256447 | etot = -18.1136377527094 +306000 ekin = 2.33394239199429 | erot = 1.95361217330038 | epot = -22.4994393613204 | etot = -18.2118847960258 +307000 ekin = 2.36433385317698 | erot = 2.09819856998282 | epot = -22.5498835871991 | etot = -18.0873511640393 +308000 ekin = 2.39069887757527 | erot = 2.58247807487939 | epot = -22.6356145598509 | etot = -17.6624376073962 +309000 ekin = 2.42870516593962 | erot = 2.50601430493662 | epot = -22.7376993972854 | etot = -17.8029799264091 +310000 ekin = 2.59762961961 | erot = 2.86657561799367 | epot = -22.8270893622475 | etot = -17.3628841246438 +311000 ekin = 2.58045041487711 | erot = 3.2311264730769 | epot = -22.8820505528213 | etot = -17.0704736648673 +312000 ekin = 2.55765290476202 | erot = 3.46227005563475 | epot = -22.8938340197389 | etot = -16.8739110593421 +313000 ekin = 2.559441928848 | erot = 3.26655870580169 | epot = -22.8884040353447 | etot = -17.0624034006951 +314000 ekin = 2.66754752507797 | erot = 3.03950571405875 | epot = -22.8258761802468 | etot = -17.1188229411101 +315000 ekin = 2.73855283007327 | erot = 2.99016186621318 | epot = -22.7272216366889 | etot = -16.9985069404024 +316000 ekin = 2.80269198455227 | erot = 2.86307192976281 | epot = -22.5938909114046 | etot = -16.9281269970896 +317000 ekin = 2.93621184769345 | erot = 2.59361256238012 | epot = -22.4292070317099 | etot = -16.8993826216363 +318000 ekin = 2.89758526069563 | erot = 2.51740962219035 | epot = -22.2783865388305 | etot = -16.8633916559446 +319000 ekin = 2.91605528220969 | erot = 2.46065370098599 | epot = -22.133704436705 | etot = -16.7569954535093 +320000 ekin = 3.07107505335126 | erot = 2.32265497319528 | epot = -21.9969159416467 | etot = -16.6031859151001 +321000 ekin = 3.13741654111418 | erot = 2.10166654249796 | epot = -21.900308219471 | etot = -16.6612251358588 +322000 ekin = 3.25007976010091 | erot = 2.45741622170004 | epot = -21.8520535793255 | etot = -16.1445575975246 +323000 ekin = 3.23909847348115 | erot = 2.5340375320604 | epot = -21.8540021438702 | etot = -16.0808661383287 +324000 ekin = 3.38563358070232 | erot = 2.1731158940233 | epot = -21.9009098604863 | etot = -16.3421603857607 +325000 ekin = 3.34278974993512 | erot = 2.12874487522967 | epot = -21.9500890276596 | etot = -16.4785544024948 +326000 ekin = 3.38095563952734 | erot = 1.87895018746874 | epot = -21.9795682650696 | etot = -16.7196624380736 +327000 ekin = 3.38255419804517 | erot = 2.1588901822408 | epot = -22.0134841360964 | etot = -16.4720397558105 +328000 ekin = 3.40032271527504 | erot = 2.44697536300087 | epot = -22.023450759041 | etot = -16.1761526807651 +329000 ekin = 3.42165866167042 | erot = 2.23397608707607 | epot = -21.9965079843081 | etot = -16.3408732355616 +330000 ekin = 3.40495189589427 | erot = 2.16314285762156 | epot = -21.9196276290174 | etot = -16.3515328755016 +331000 ekin = 3.17548117127382 | erot = 2.09607585596633 | epot = -21.794498989011 | etot = -16.5229419617709 +332000 ekin = 2.98417545246665 | erot = 2.49335753705486 | epot = -21.6758679740327 | etot = -16.1983349845112 +333000 ekin = 2.88789613747813 | erot = 2.2559185916092 | epot = -21.5606249971909 | etot = -16.4168102681035 +334000 ekin = 2.72802815944269 | erot = 2.34583544867011 | epot = -21.5029467999943 | etot = -16.4290831918815 +335000 ekin = 2.67984094653357 | erot = 2.55944269027796 | epot = -21.5037191469947 | etot = -16.2644355101832 +336000 ekin = 2.69835695167784 | erot = 2.67075019722172 | epot = -21.5450631550404 | etot = -16.1759560061409 +337000 ekin = 2.58419106934189 | erot = 3.12853087323264 | epot = -21.643316836933 | etot = -15.9305948943585 +338000 ekin = 2.49996061258828 | erot = 3.1121867329201 | epot = -21.7506422483336 | etot = -16.1384949028252 +339000 ekin = 2.39574216262846 | erot = 3.0806358526705 | epot = -21.8692124850348 | etot = -16.3928344697358 +340000 ekin = 2.49232794145646 | erot = 2.980190991323 | epot = -21.9771878613074 | etot = -16.504668928528 +341000 ekin = 2.49715634905668 | erot = 2.90079807725765 | epot = -22.0570317432504 | etot = -16.6590773169361 +342000 ekin = 2.51716093069969 | erot = 2.82265055007444 | epot = -22.1164185335397 | etot = -16.7766070527655 +343000 ekin = 2.4860981088623 | erot = 2.72316461109174 | epot = -22.1874092656393 | etot = -16.9781465456852 +344000 ekin = 2.59185701101002 | erot = 2.80189377403278 | epot = -22.2240461219157 | etot = -16.8302953368729 +345000 ekin = 2.75203781955695 | erot = 2.78048504556998 | epot = -22.228777643338 | etot = -16.6962547782111 +346000 ekin = 2.81389530494878 | erot = 2.3340730613195 | epot = -22.2248537826432 | etot = -17.0768854163749 +347000 ekin = 2.9391210400536 | erot = 2.50008170041745 | epot = -22.249868336818 | etot = -16.810665596347 +348000 ekin = 2.96773185111312 | erot = 2.74343934252212 | epot = -22.2560808039814 | etot = -16.5449096103462 +349000 ekin = 3.13040986998843 | erot = 2.80190275823786 | epot = -22.2470744750918 | etot = -16.3147618468655 +350000 ekin = 3.08696501979119 | erot = 2.86847264663001 | epot = -22.2200203810508 | etot = -16.2645827146296 +351000 ekin = 3.09062650768665 | erot = 2.55040952388053 | epot = -22.219653345477 | etot = -16.5786173139098 +352000 ekin = 3.11537871248055 | erot = 2.20508138812274 | epot = -22.2132969704675 | etot = -16.8928368698642 +353000 ekin = 3.07156061276484 | erot = 2.27110385815633 | epot = -22.1942519415342 | etot = -16.851587470613 +354000 ekin = 3.03625905361608 | erot = 2.28070870858901 | epot = -22.1756814217729 | etot = -16.8587136595678 +355000 ekin = 3.05199381136594 | erot = 2.27451340050882 | epot = -22.1583132038245 | etot = -16.8318059919498 +356000 ekin = 3.08455685206842 | erot = 2.22987943802129 | epot = -22.1433269864766 | etot = -16.8288906963869 +357000 ekin = 3.05732303271321 | erot = 2.39309407849548 | epot = -22.1193520318396 | etot = -16.6689349206309 +358000 ekin = 3.1711006145134 | erot = 2.70306029074061 | epot = -22.11823298523 | etot = -16.244072079976 +359000 ekin = 3.16486963450204 | erot = 2.78686781955526 | epot = -22.1253692631306 | etot = -16.1736318090733 +360000 ekin = 3.13851448508906 | erot = 2.57867504445972 | epot = -22.1430585034903 | etot = -16.4258689739416 +361000 ekin = 3.1018046044078 | erot = 2.91879652221933 | epot = -22.1488150833326 | etot = -16.1282139567055 +362000 ekin = 3.05062554845306 | erot = 3.01028278746078 | epot = -22.1455190064011 | etot = -16.0846106704873 +363000 ekin = 3.05887916756207 | erot = 2.98286966442435 | epot = -22.1197448021474 | etot = -16.077995970161 +364000 ekin = 2.97835573270391 | erot = 3.15819469882605 | epot = -22.0865889777575 | etot = -15.9500385462276 +365000 ekin = 2.91386725267301 | erot = 3.01797244564511 | epot = -22.036734500504 | etot = -16.1048948021859 +366000 ekin = 2.84923441171881 | erot = 2.78629016923769 | epot = -21.9575039957298 | etot = -16.3219794147733 +367000 ekin = 2.68353251880628 | erot = 2.48104091468962 | epot = -21.89853718758 | etot = -16.7339637540841 +368000 ekin = 2.65983333900818 | erot = 2.52342977423083 | epot = -21.8801683018794 | etot = -16.6969051886404 +369000 ekin = 2.57098271373618 | erot = 2.13783387451323 | epot = -21.8712180667081 | etot = -17.1624014784587 +370000 ekin = 2.46719741991483 | erot = 2.19165130675158 | epot = -21.8880397158873 | etot = -17.2291909892209 +371000 ekin = 2.36101704058599 | erot = 2.37151178551915 | epot = -21.871259635484 | etot = -17.1387308093789 +372000 ekin = 2.35292349616034 | erot = 1.93814576615856 | epot = -21.8337068682175 | etot = -17.5426376058986 +373000 ekin = 2.22654652898943 | erot = 1.97312401893843 | epot = -21.7946812690266 | etot = -17.5950107210988 +374000 ekin = 2.10841533505376 | erot = 2.42321715998303 | epot = -21.7582816122237 | etot = -17.2266491171869 +375000 ekin = 2.09694600146948 | erot = 2.65841461817973 | epot = -21.7455351907437 | etot = -16.9901745710945 +376000 ekin = 2.01640282060124 | erot = 2.94267460873896 | epot = -21.7585878275113 | etot = -16.7995103981711 +377000 ekin = 1.96639420112318 | erot = 3.0881995707428 | epot = -21.7692932541815 | etot = -16.7146994823155 +378000 ekin = 1.8581802807931 | erot = 2.93893488746247 | epot = -21.7888291404588 | etot = -16.9917139722032 +379000 ekin = 1.80977620668707 | erot = 2.89686403333528 | epot = -21.8021607659804 | etot = -17.095520525958 +380000 ekin = 1.73240863049973 | erot = 3.31083227305488 | epot = -21.8040178365907 | etot = -16.7607769330361 +381000 ekin = 1.78593665245924 | erot = 3.0043788778956 | epot = -21.814619015938 | etot = -17.0243034855832 +382000 ekin = 1.81833924259092 | erot = 3.29223624038099 | epot = -21.8338308722139 | etot = -16.723255389242 +383000 ekin = 1.90372822779343 | erot = 3.2223723870211 | epot = -21.8485569566827 | etot = -16.7224563418682 +384000 ekin = 1.84908071228732 | erot = 3.12652639081496 | epot = -21.7977736604942 | etot = -16.8221665573919 +385000 ekin = 1.92406985540242 | erot = 2.87503823935547 | epot = -21.7109558633046 | etot = -16.9118477685467 +386000 ekin = 2.08459192251279 | erot = 2.45881013772448 | epot = -21.8127875838317 | etot = -17.2693855235944 +387000 ekin = 2.14831947455661 | erot = 2.58103233380232 | epot = -21.965778516454 | etot = -17.2364267080951 +388000 ekin = 2.20283399392827 | erot = 2.65764672350552 | epot = -22.0644231935264 | etot = -17.2039424760926 +389000 ekin = 2.20238885724334 | erot = 2.65111850895053 | epot = -22.1516234881391 | etot = -17.2981161219452 +390000 ekin = 2.24047588961197 | erot = 2.79913619901817 | epot = -22.2380523913913 | etot = -17.1984403027612 +391000 ekin = 2.27798913986017 | erot = 2.58277083989429 | epot = -22.3159667090675 | etot = -17.455206729313 +392000 ekin = 2.25449982760673 | erot = 2.37888824458204 | epot = -22.3605850592921 | etot = -17.7271969871034 +393000 ekin = 2.40321868579769 | erot = 2.29619394920021 | epot = -22.4007355614943 | etot = -17.7013229264964 +394000 ekin = 2.38472249136268 | erot = 2.02605124890775 | epot = -22.4166559581036 | etot = -18.0058822178332 +395000 ekin = 2.35870737602683 | erot = 2.13809618093391 | epot = -22.46183889125 | etot = -17.9650353342893 +396000 ekin = 2.36594751638176 | erot = 2.35329585924248 | epot = -22.4900242189752 | etot = -17.770780843351 +397000 ekin = 2.32162964157149 | erot = 2.38815965169872 | epot = -22.5051745520065 | etot = -17.7953852587363 +398000 ekin = 2.2809317117681 | erot = 2.45784979337986 | epot = -22.4904502460558 | etot = -17.7516687409078 +399000 ekin = 2.24440009076072 | erot = 2.20375095522972 | epot = -22.4593286712297 | etot = -18.0111776252393 +400000 ekin = 2.21650351836305 | erot = 2.11035067120488 | epot = -22.4071568047281 | etot = -18.0803026151602 +401000 ekin = 2.18808947871535 | erot = 2.05046808146139 | epot = -22.3505439740505 | etot = -18.1119864138738 +402000 ekin = 2.16649391253901 | erot = 2.14799860386812 | epot = -22.268256251652 | etot = -17.9537637352449 +403000 ekin = 2.28466204544573 | erot = 2.18910683075383 | epot = -22.2050986712119 | etot = -17.7313297950123 +404000 ekin = 2.34692059996724 | erot = 2.09828665659982 | epot = -22.1538027009538 | etot = -17.7085954443867 +405000 ekin = 2.4405679209828 | erot = 1.95202235520055 | epot = -22.1290600615596 | etot = -17.7364697853763 +406000 ekin = 2.51200179837241 | erot = 1.84480550716527 | epot = -22.1228718442874 | etot = -17.7660645387498 +407000 ekin = 2.46779728542654 | erot = 1.95715570890835 | epot = -22.1207033013073 | etot = -17.6957503069724 +408000 ekin = 2.67524377663759 | erot = 2.25989223488927 | epot = -22.1391777417951 | etot = -17.2040417302682 +409000 ekin = 2.66315255700294 | erot = 2.37555491225749 | epot = -22.1303194186109 | etot = -17.0916119493505 +410000 ekin = 2.65203478218384 | erot = 2.35306567100159 | epot = -22.1147712842536 | etot = -17.1096708310682 +411000 ekin = 2.6665921727395 | erot = 2.24630383870687 | epot = -22.1012745566864 | etot = -17.18837854524 +412000 ekin = 2.71788228424455 | erot = 2.0599452609842 | epot = -22.08547529968 | etot = -17.3076477544513 +413000 ekin = 2.9180284813538 | erot = 2.11234467836748 | epot = -22.0711624066711 | etot = -17.0407892469498 +414000 ekin = 2.96559563750791 | erot = 2.00652755440308 | epot = -22.0704517319952 | etot = -17.0983285400842 +415000 ekin = 2.9403339874136 | erot = 2.1506636721416 | epot = -22.0908184253288 | etot = -16.9998207657736 +416000 ekin = 3.01308617564487 | erot = 2.30018045105578 | epot = -22.1467565517931 | etot = -16.8334899250925 +417000 ekin = 2.99189829031787 | erot = 2.38541146259451 | epot = -22.2119953988622 | etot = -16.8346856459498 +418000 ekin = 2.92450258607176 | erot = 2.60659083472735 | epot = -22.2670317375586 | etot = -16.7359383167595 +419000 ekin = 3.02248435904785 | erot = 2.56863874909495 | epot = -22.3092445703347 | etot = -16.7181214621919 +420000 ekin = 3.11629989898236 | erot = 2.19357614992643 | epot = -22.3521371010171 | etot = -17.0422610521083 +421000 ekin = 3.09888957739381 | erot = 2.50768144705348 | epot = -22.4424742155049 | etot = -16.8359031910577 +422000 ekin = 3.22879455450154 | erot = 2.7281466432388 | epot = -22.5663066955684 | etot = -16.609365497828 +423000 ekin = 3.30665671531864 | erot = 2.51591677609467 | epot = -22.6645305507578 | etot = -16.8419570593445 +424000 ekin = 3.37246731972731 | erot = 2.34745055602907 | epot = -22.727642618393 | etot = -17.0077247426366 +425000 ekin = 3.43841525686891 | erot = 2.13655704811661 | epot = -22.7531787907648 | etot = -17.1782064857792 +426000 ekin = 3.39533061745582 | erot = 2.09679686908525 | epot = -22.7598072190452 | etot = -17.2676797325041 +427000 ekin = 3.39111059944188 | erot = 2.09557295937 | epot = -22.7548111473876 | etot = -17.2681275885757 +428000 ekin = 3.31614466866169 | erot = 2.03921223078323 | epot = -22.7608817388065 | etot = -17.4055248393615 +429000 ekin = 3.32919751126109 | erot = 2.28907058183506 | epot = -22.7667239471956 | etot = -17.1484558540995 +430000 ekin = 3.20916903929704 | erot = 2.24711750120359 | epot = -22.7569862329286 | etot = -17.3006996924279 +431000 ekin = 3.21784537917498 | erot = 2.11449131463102 | epot = -22.7330752234491 | etot = -17.4007385296431 +432000 ekin = 3.05825965277366 | erot = 2.1280245777588 | epot = -22.7058311036753 | etot = -17.5195468731428 +433000 ekin = 3.04999159233165 | erot = 2.12377304692495 | epot = -22.6927692042268 | etot = -17.5190045649702 +434000 ekin = 2.97281689578993 | erot = 2.06268809983407 | epot = -22.6735691335098 | etot = -17.6380641378858 +435000 ekin = 2.94081881992646 | erot = 2.27500624558154 | epot = -22.6471201429009 | etot = -17.4312950773929 +436000 ekin = 2.76300260327166 | erot = 2.14872430130916 | epot = -22.6178894405034 | etot = -17.7061625359226 +437000 ekin = 2.59429812875475 | erot = 1.81211382552894 | epot = -22.595485084217 | etot = -18.1890731299333 +438000 ekin = 2.55606503620585 | erot = 2.0179868480706 | epot = -22.5948271221481 | etot = -18.0207752378717 +439000 ekin = 2.53154376315499 | erot = 2.19299208744614 | epot = -22.6163361970742 | etot = -17.891800346473 +440000 ekin = 2.40438990342985 | erot = 2.39730485059928 | epot = -22.6417525467574 | etot = -17.8400577927283 +441000 ekin = 2.39311316134443 | erot = 2.20887829122785 | epot = -22.6584374753817 | etot = -18.0564460228094 +442000 ekin = 2.33774628968778 | erot = 2.27924438602919 | epot = -22.6901952471932 | etot = -18.0732045714763 +443000 ekin = 2.29577071148444 | erot = 2.13681932629555 | epot = -22.7383184381274 | etot = -18.3057284003474 +444000 ekin = 2.23794629484161 | erot = 2.26441379885369 | epot = -22.7861053898433 | etot = -18.2837452961479 +445000 ekin = 2.29545526298793 | erot = 2.21483552932775 | epot = -22.8258649969131 | etot = -18.3155742045974 +446000 ekin = 2.30609557124264 | erot = 2.31380080271873 | epot = -22.8648768729171 | etot = -18.2449804989557 +447000 ekin = 2.3400431119763 | erot = 2.11921527275252 | epot = -22.8964565927018 | etot = -18.437198207973 +448000 ekin = 2.31891408584095 | erot = 1.89336279102554 | epot = -22.9133862874843 | etot = -18.7011094106178 +449000 ekin = 2.50108402662084 | erot = 2.14275389718692 | epot = -22.930633005168 | etot = -18.2867950813603 +450000 ekin = 2.5680115489325 | erot = 2.1703072011048 | epot = -22.9343126165985 | etot = -18.1959938665612 +451000 ekin = 2.56623797742048 | erot = 2.48936702406197 | epot = -22.9565813788787 | etot = -17.9009763773962 +452000 ekin = 2.58271965200715 | erot = 2.71036974079266 | epot = -22.969892761014 | etot = -17.6768033682142 +453000 ekin = 2.57528128095339 | erot = 2.42064719168856 | epot = -22.9718770494986 | etot = -17.9759485768567 +454000 ekin = 2.67501362163761 | erot = 2.16830940597265 | epot = -22.954282826857 | etot = -18.1109597992467 +455000 ekin = 2.56489981687937 | erot = 2.42902486734868 | epot = -22.9396963254752 | etot = -17.9457716412471 +456000 ekin = 2.70565104056166 | erot = 2.41758826939476 | epot = -22.93942784522 | etot = -17.8161885352635 +457000 ekin = 2.6720211004305 | erot = 2.33461800850212 | epot = -22.966154109974 | etot = -17.9595150010414 +458000 ekin = 2.80341163315569 | erot = 2.09116834812238 | epot = -22.9873787877664 | etot = -18.0927988064884 +459000 ekin = 2.88302679195828 | erot = 2.11686421326537 | epot = -22.9983193137535 | etot = -17.9984283085298 +460000 ekin = 2.80959444443701 | erot = 1.91875534890938 | epot = -22.9899489536659 | etot = -18.2615991603195 +461000 ekin = 2.74655544888584 | erot = 2.00712299964627 | epot = -22.9641927476617 | etot = -18.2105142991295 +462000 ekin = 2.69410871293408 | erot = 1.85692462055059 | epot = -22.9396822663687 | etot = -18.388648932884 +463000 ekin = 2.68405751272921 | erot = 1.72122902844385 | epot = -22.920625445423 | etot = -18.51533890425 +464000 ekin = 2.68220436609129 | erot = 1.82183499702516 | epot = -22.902100071716 | etot = -18.3980607085995 +465000 ekin = 2.72690747044742 | erot = 1.76672692428737 | epot = -22.8835808325682 | etot = -18.3899464378335 +466000 ekin = 2.76097376291825 | erot = 1.45315546635129 | epot = -22.8532324895852 | etot = -18.6391032603157 +467000 ekin = 2.70206815185883 | erot = 1.48571966445427 | epot = -22.8038556347775 | etot = -18.6160678184644 +468000 ekin = 2.5468378285447 | erot = 1.46932624584375 | epot = -22.7393489246085 | etot = -18.72318485022 +469000 ekin = 2.57325964052969 | erot = 1.72667647792953 | epot = -22.6884895500973 | etot = -18.3885534316381 +470000 ekin = 2.54097506641283 | erot = 1.39019831696538 | epot = -22.6354294232224 | etot = -18.7042560398442 +471000 ekin = 2.53075144531188 | erot = 1.56973268857361 | epot = -22.5872254672437 | etot = -18.4867413333582 +472000 ekin = 2.48686143209695 | erot = 1.63608646497309 | epot = -22.5386230972985 | etot = -18.4156752002285 +473000 ekin = 2.42292267545319 | erot = 1.87228271405934 | epot = -22.5112867940746 | etot = -18.2160814045621 +474000 ekin = 2.50613933288665 | erot = 2.0952416911658 | epot = -22.5009126606675 | etot = -17.8995316366151 +475000 ekin = 2.45603005290409 | erot = 1.85917779264061 | epot = -22.5137202723094 | etot = -18.1985124267647 +476000 ekin = 2.3346853402221 | erot = 2.0264560210282 | epot = -22.5553111044059 | etot = -18.1941697431556 +477000 ekin = 2.45891726578721 | erot = 2.02023615759308 | epot = -22.6158128757705 | etot = -18.1366594523902 +478000 ekin = 2.41477886253645 | erot = 2.43026093865231 | epot = -22.6679361141587 | etot = -17.8228963129699 +479000 ekin = 2.32198252632126 | erot = 2.32644468281383 | epot = -22.7087553607369 | etot = -18.0603281516018 +480000 ekin = 2.3558894173607 | erot = 2.3595465710013 | epot = -22.7435251879185 | etot = -18.0280891995565 +481000 ekin = 2.284520892779 | erot = 2.2043085242519 | epot = -22.7608284363972 | etot = -18.2719990193663 +482000 ekin = 2.32256646764216 | erot = 2.41557913055296 | epot = -22.7741831402844 | etot = -18.0360375420892 +483000 ekin = 2.27205927409901 | erot = 2.56178717087227 | epot = -22.7728224994831 | etot = -17.9389760545118 +484000 ekin = 2.37993337782981 | erot = 2.66126649810811 | epot = -22.7416478008891 | etot = -17.7004479249512 +485000 ekin = 2.38190748927818 | erot = 2.61854512767477 | epot = -22.7119334579282 | etot = -17.7114808409752 +486000 ekin = 2.3341846650688 | erot = 2.46925253909111 | epot = -22.6824493106805 | etot = -17.8790121065206 +487000 ekin = 2.18094133411115 | erot = 2.69390883740088 | epot = -22.6720546869386 | etot = -17.7972045154266 +488000 ekin = 2.11650686044404 | erot = 2.55325406947426 | epot = -22.6638056402425 | etot = -17.9940447103242 +489000 ekin = 2.21431283780025 | erot = 2.61470772093261 | epot = -22.6573831222825 | etot = -17.8283625635497 +490000 ekin = 2.2177697789255 | erot = 2.23500339456076 | epot = -22.5741440270901 | etot = -18.1213708536038 +491000 ekin = 2.2743268285736 | erot = 1.88817054321361 | epot = -22.4373592688795 | etot = -18.2748618970923 +492000 ekin = 2.53138272091331 | erot = 1.96744277498725 | epot = -22.4175140127838 | etot = -17.9186885168832 +493000 ekin = 2.71682060136924 | erot = 2.08719543513555 | epot = -22.5173229601061 | etot = -17.7133069236013 +494000 ekin = 2.79234310962882 | erot = 1.83822122501509 | epot = -22.5447051999101 | etot = -17.9141408652662 +495000 ekin = 2.76785459319896 | erot = 1.73774545925586 | epot = -22.5287157975834 | etot = -18.0231157451285 +496000 ekin = 2.84739375420049 | erot = 1.56846128670001 | epot = -22.5241542479137 | etot = -18.1082992070132 +497000 ekin = 2.69680214844421 | erot = 1.74348040544602 | epot = -22.5144404613581 | etot = -18.0741579074679 +498000 ekin = 2.62941704239962 | erot = 1.98455622913402 | epot = -22.5178632839582 | etot = -17.9038900124246 +499000 ekin = 2.64804818917005 | erot = 2.28765209546407 | epot = -22.5255155919976 | etot = -17.5898153073635 +500000 ekin = 2.62333387127775 | erot = 2.24107414888815 | epot = -22.5402092035982 | etot = -17.6758011834323 +501000 ekin = 2.58728609470098 | erot = 2.55153168646058 | epot = -22.5581971333472 | etot = -17.4193793521857 +502000 ekin = 2.57438529667224 | erot = 2.59775936587093 | epot = -22.5744776891821 | etot = -17.4023330266389 +503000 ekin = 2.68620055952013 | erot = 2.57830069566415 | epot = -22.5848671752325 | etot = -17.3203659200482 +504000 ekin = 2.70861631349713 | erot = 2.63136597642924 | epot = -22.5422463026807 | etot = -17.2022640127543 +505000 ekin = 2.81322601719058 | erot = 2.35620405508421 | epot = -22.4713277487551 | etot = -17.3018976764803 +506000 ekin = 2.75875978790581 | erot = 2.2811420027319 | epot = -22.4152453500929 | etot = -17.3753435594552 +507000 ekin = 2.76795437715432 | erot = 2.08516805530083 | epot = -22.3599249092895 | etot = -17.5068024768344 +508000 ekin = 2.73683686247801 | erot = 2.23436615836136 | epot = -22.3104902501594 | etot = -17.33928722932 +509000 ekin = 2.78730220151846 | erot = 2.42925226467485 | epot = -22.2669837867327 | etot = -17.0504293205394 +510000 ekin = 2.70408252089242 | erot = 2.30581628327713 | epot = -22.2411716050792 | etot = -17.2312728009097 +511000 ekin = 2.61818706333878 | erot = 2.32198772005124 | epot = -22.2054755882157 | etot = -17.2653008048257 +512000 ekin = 2.6266656789872 | erot = 2.16861742931871 | epot = -22.1496493249526 | etot = -17.3543662166467 +513000 ekin = 2.62864579756464 | erot = 2.28017839888773 | epot = -22.0962074035282 | etot = -17.1873832070758 +514000 ekin = 2.62144790591378 | erot = 2.41032584829392 | epot = -22.0606978370588 | etot = -17.0289240828511 +515000 ekin = 2.4182266596636 | erot = 2.52539385006922 | epot = -22.0307261613953 | etot = -17.0871056516624 +516000 ekin = 2.50897552241983 | erot = 2.78752662759895 | epot = -21.9672371157169 | etot = -16.6707349656981 +517000 ekin = 2.49803351393489 | erot = 2.61327470143936 | epot = -21.8908910019269 | etot = -16.7795827865527 +518000 ekin = 2.40588427132963 | erot = 2.6049652024787 | epot = -21.8271402944051 | etot = -16.8162908205968 +519000 ekin = 2.30783192859372 | erot = 2.28376487382996 | epot = -21.7720265250267 | etot = -17.180429722603 +520000 ekin = 2.2761642305819 | erot = 2.29434994860407 | epot = -21.7128184146401 | etot = -17.1423042354541 +521000 ekin = 2.24914668110677 | erot = 2.36897117879091 | epot = -21.6721321359537 | etot = -17.054014276056 +522000 ekin = 2.35364771784226 | erot = 2.3669509768879 | epot = -21.6628523798145 | etot = -16.9422536850843 +523000 ekin = 2.37618272265833 | erot = 2.13303138965069 | epot = -21.7051372318526 | etot = -17.1959231195436 +524000 ekin = 2.49723384027368 | erot = 2.2402387265416 | epot = -21.782377913726 | etot = -17.0449053469107 +525000 ekin = 2.46375747660483 | erot = 2.51521139084649 | epot = -21.8666578962014 | etot = -16.8876890287501 +526000 ekin = 2.48852380798094 | erot = 2.58777847976814 | epot = -21.9290082944792 | etot = -16.8527060067301 +527000 ekin = 2.56408998824203 | erot = 2.71602192536799 | epot = -21.9877682670139 | etot = -16.7076563534039 +528000 ekin = 2.56498509318779 | erot = 2.76910231594627 | epot = -22.0494190498077 | etot = -16.7153316406737 +529000 ekin = 2.49392950866803 | erot = 2.90081498188824 | epot = -22.0953259392657 | etot = -16.7005814487095 +530000 ekin = 2.55943772908022 | erot = 3.45143762749438 | epot = -22.1238951653049 | etot = -16.1130198087303 +531000 ekin = 2.62008230330594 | erot = 3.4102956933902 | epot = -22.1596065217834 | etot = -16.1292285250873 +532000 ekin = 2.64345831357253 | erot = 3.25189148347864 | epot = -22.2210179597453 | etot = -16.3256681626941 +533000 ekin = 2.66248857759365 | erot = 3.12130181040678 | epot = -22.293854504249 | etot = -16.5100641162486 +534000 ekin = 2.57837832781878 | erot = 3.40672270429757 | epot = -22.3945209938965 | etot = -16.4094199617801 +535000 ekin = 2.54988429096273 | erot = 3.48601096999932 | epot = -22.4965663420717 | etot = -16.4606710811097 +536000 ekin = 2.54332535815076 | erot = 3.38741257391199 | epot = -22.5966447962839 | etot = -16.6659068642212 +537000 ekin = 2.51621672082883 | erot = 3.49541286485898 | epot = -22.7221660584811 | etot = -16.7105364727933 +538000 ekin = 2.55164682489481 | erot = 3.74760630845831 | epot = -22.8591125937166 | etot = -16.5598594603634 +539000 ekin = 2.58092295425592 | erot = 3.80698168734295 | epot = -22.9765606947834 | etot = -16.5886560531845 +540000 ekin = 2.51008871731657 | erot = 3.80582456583147 | epot = -22.9798947810034 | etot = -16.6639814978553 +541000 ekin = 2.46719015764005 | erot = 3.50395862401716 | epot = -22.843108726957 | etot = -16.8719599452998 +542000 ekin = 2.59107475639072 | erot = 3.17066662624118 | epot = -22.8744258545949 | etot = -17.112684471963 +543000 ekin = 2.63620201361468 | erot = 3.06589292292618 | epot = -23.0791931656966 | etot = -17.3770982291557 +544000 ekin = 2.7624303384 | erot = 2.75752131636948 | epot = -23.1902839993582 | etot = -17.6703323445887 +545000 ekin = 2.77751893807181 | erot = 2.90000680655531 | epot = -23.2046062023305 | etot = -17.5270804577034 +546000 ekin = 2.7805950236307 | erot = 2.54289051406649 | epot = -23.2005103103105 | etot = -17.8770247726133 +547000 ekin = 2.81545617905238 | erot = 2.47192481242806 | epot = -23.1718555968601 | etot = -17.8844746053796 +548000 ekin = 2.79144209452802 | erot = 2.80250244565785 | epot = -23.1234791781377 | etot = -17.5295346379518 +549000 ekin = 2.75373348946721 | erot = 2.71813060504065 | epot = -23.0602788235303 | etot = -17.5884147290224 +550000 ekin = 2.68546541277429 | erot = 2.77855841780863 | epot = -22.9807527132684 | etot = -17.5167288826854 +551000 ekin = 2.63458963816036 | erot = 2.84363646369263 | epot = -22.8852605151351 | etot = -17.4070344132821 +552000 ekin = 2.65549146174195 | erot = 2.88006578689767 | epot = -22.7742141173519 | etot = -17.2386568687123 +553000 ekin = 2.61257263960443 | erot = 2.50580069544582 | epot = -22.6366728838902 | etot = -17.5182995488399 +554000 ekin = 2.55042887500034 | erot = 2.45156308445378 | epot = -22.5169799021636 | etot = -17.5149879427095 +555000 ekin = 2.4877174092021 | erot = 2.4195997835835 | epot = -22.4015661830961 | etot = -17.4942489903105 +556000 ekin = 2.43741510652919 | erot = 2.45751361710331 | epot = -22.292881083487 | etot = -17.3979523598545 +557000 ekin = 2.35602361024345 | erot = 2.35108817931542 | epot = -22.2068336513712 | etot = -17.4997218618123 +558000 ekin = 2.29845334881496 | erot = 2.47944197593295 | epot = -22.1269301143066 | etot = -17.3490347895587 +559000 ekin = 2.30547484128393 | erot = 2.43861674436445 | epot = -22.0431486095149 | etot = -17.2990570238665 +560000 ekin = 2.27735914776848 | erot = 2.22067768733756 | epot = -21.9730451699076 | etot = -17.4750083348016 +561000 ekin = 2.29286875562462 | erot = 2.11991684539843 | epot = -21.9034779049411 | etot = -17.490692303918 +562000 ekin = 2.19274483675775 | erot = 2.46930771586795 | epot = -21.8893960999879 | etot = -17.2273435473622 +563000 ekin = 2.25507955004823 | erot = 2.41065657987137 | epot = -21.9034392529016 | etot = -17.237703122982 +564000 ekin = 2.40459323350298 | erot = 2.24328259671745 | epot = -21.9404208075869 | etot = -17.2925449773664 +565000 ekin = 2.45683133378064 | erot = 2.27185510495041 | epot = -22.0074255927212 | etot = -17.2787391539901 +566000 ekin = 2.40141767311459 | erot = 2.21041354599862 | epot = -22.0735209036129 | etot = -17.4616896844997 +567000 ekin = 2.4457477052997 | erot = 2.11328940794165 | epot = -22.1387930635638 | etot = -17.5797559503224 +568000 ekin = 2.42570050072055 | erot = 2.18749548652437 | epot = -22.1800917698723 | etot = -17.5668957826274 +569000 ekin = 2.41454722540317 | erot = 2.10107949642201 | epot = -22.2121048457964 | etot = -17.6964781239712 +570000 ekin = 2.2989763814642 | erot = 2.04752727974981 | epot = -22.2369346580044 | etot = -17.8904309967904 +571000 ekin = 2.37657622585365 | erot = 2.05748511989246 | epot = -22.2528258700709 | etot = -17.8187645243248 +572000 ekin = 2.3168225167925 | erot = 2.58991099215539 | epot = -22.2496997094431 | etot = -17.3429662004952 +573000 ekin = 2.3040067160629 | erot = 2.31011895599928 | epot = -22.2262777020441 | etot = -17.6121520299819 +574000 ekin = 2.2203291203695 | erot = 2.34605820626859 | epot = -22.1986731397123 | etot = -17.6322858130742 +575000 ekin = 2.32899896279942 | erot = 2.14115178550434 | epot = -22.1599463152592 | etot = -17.6897955669555 +576000 ekin = 2.39677965647551 | erot = 2.16319777458983 | epot = -22.1106499071576 | etot = -17.5506724760922 +577000 ekin = 2.34165067357812 | erot = 1.93700136472043 | epot = -22.0653568060897 | etot = -17.7867047677912 +578000 ekin = 2.16459341404791 | erot = 1.94455021171713 | epot = -22.0220297065974 | etot = -17.9128860808324 +579000 ekin = 2.10243284337417 | erot = 1.93292394186435 | epot = -21.9718679160588 | etot = -17.9365111308202 +580000 ekin = 1.99604497344175 | erot = 1.95521625056201 | epot = -21.9148231396271 | etot = -17.9635619156233 +581000 ekin = 1.96384176915015 | erot = 1.99100077453193 | epot = -21.8663464602612 | etot = -17.9115039165791 +582000 ekin = 1.86034078875954 | erot = 1.90507522813595 | epot = -21.8442116641843 | etot = -18.0787956472888 +583000 ekin = 1.71909602928119 | erot = 1.97209600265413 | epot = -21.8622366159147 | etot = -18.1710445839794 +584000 ekin = 1.703647421171 | erot = 1.84090438363609 | epot = -21.9097350864251 | etot = -18.365183281618 +585000 ekin = 1.74431579790209 | erot = 2.03905704940609 | epot = -21.9890373916311 | etot = -18.2056645443229 +586000 ekin = 1.73466674324848 | erot = 1.83902306942848 | epot = -22.0843760980402 | etot = -18.5106862853632 +587000 ekin = 1.69495214035969 | erot = 2.05654584168949 | epot = -22.1748305300913 | etot = -18.4233325480421 +588000 ekin = 1.81991084277846 | erot = 2.03271452479352 | epot = -22.2619123801789 | etot = -18.4092870126069 +589000 ekin = 1.7577411459267 | erot = 2.09107160464902 | epot = -22.3245174454578 | etot = -18.4757046948821 +590000 ekin = 1.72192880825669 | erot = 2.02708321623578 | epot = -22.3712739626591 | etot = -18.6222619381666 +591000 ekin = 1.7680149700417 | erot = 2.19934356351431 | epot = -22.4026553786928 | etot = -18.4352968451368 +592000 ekin = 1.73818904167481 | erot = 2.31753844822573 | epot = -22.4297727542857 | etot = -18.3740452643852 +593000 ekin = 1.74423680346919 | erot = 2.35378967969673 | epot = -22.4309363170804 | etot = -18.3329098339145 +594000 ekin = 1.74360225576695 | erot = 1.98671317855359 | epot = -22.3849580162802 | etot = -18.6546425819596 +595000 ekin = 1.8259762247913 | erot = 2.13309374747876 | epot = -22.3903093107667 | etot = -18.4312393384966 +596000 ekin = 1.88347190280853 | erot = 2.21700247043607 | epot = -22.4390117320798 | etot = -18.3385373588352 +597000 ekin = 1.85682865820145 | erot = 2.22335853873402 | epot = -22.4665965332843 | etot = -18.3864093363488 +598000 ekin = 1.90006820905248 | erot = 2.42053542571092 | epot = -22.4694279641808 | etot = -18.1488243294174 +599000 ekin = 1.90071729874358 | erot = 2.59878396537153 | epot = -22.4910623963927 | etot = -17.9915611322776 +600000 ekin = 1.97752963691671 | erot = 2.72441502124577 | epot = -22.5477576362777 | etot = -17.8458129781152 +601000 ekin = 1.85698550625183 | erot = 2.88505630055983 | epot = -22.601413276632 | etot = -17.8593714698203 +602000 ekin = 1.85670612852391 | erot = 2.9924675577216 | epot = -22.6585474549208 | etot = -17.8093737686753 +603000 ekin = 1.86635938777726 | erot = 2.7946692567766 | epot = -22.7047123446179 | etot = -18.043683700064 +604000 ekin = 1.85627372221482 | erot = 2.96454267326802 | epot = -22.7247435540802 | etot = -17.9039271585974 +605000 ekin = 1.90713526215432 | erot = 2.83334095597306 | epot = -22.7033988480802 | etot = -17.9629226299528 +606000 ekin = 1.97855456734139 | erot = 2.4416881433075 | epot = -22.6272048618402 | etot = -18.2069621511913 +607000 ekin = 2.01266482611061 | erot = 2.45716329068746 | epot = -22.5070850149334 | etot = -18.0372568981353 +608000 ekin = 2.12878560429542 | erot = 2.31425337484033 | epot = -22.3497088958721 | etot = -17.9066699167364 +609000 ekin = 2.06312041868305 | erot = 2.11817811077744 | epot = -22.1990535325682 | etot = -18.0177550031077 +610000 ekin = 2.16915995218525 | erot = 2.15710310478974 | epot = -22.0738713202684 | etot = -17.7476082632935 +611000 ekin = 2.2479062777385 | erot = 2.44524506443981 | epot = -21.9773927987227 | etot = -17.2842414565444 +612000 ekin = 2.33407663304688 | erot = 2.43880885419943 | epot = -21.915819412039 | etot = -17.1429339247927 +613000 ekin = 2.4862713655459 | erot = 2.04564905753212 | epot = -21.9014181358314 | etot = -17.3694977127534 +614000 ekin = 2.63092379207172 | erot = 1.78137353630906 | epot = -21.9268892251557 | etot = -17.514591896775 +615000 ekin = 2.76847753887656 | erot = 1.74704506635928 | epot = -22.0144396036921 | etot = -17.4989169984563 +616000 ekin = 2.91908707455724 | erot = 1.7829061327169 | epot = -22.118601225114 | etot = -17.4166080178398 +617000 ekin = 3.15203249393298 | erot = 1.78303328673794 | epot = -22.2256012419584 | etot = -17.2905354612875 +618000 ekin = 3.31119378517929 | erot = 1.96412968205649 | epot = -22.3133840086656 | etot = -17.0380605414298 +619000 ekin = 3.47590250528842 | erot = 1.76611683746803 | epot = -22.3772219575797 | etot = -17.1352026148232 +620000 ekin = 3.48874988045414 | erot = 1.89528011242398 | epot = -22.4384551139398 | etot = -17.0544251210617 +621000 ekin = 3.6162246198138 | erot = 1.99344049296405 | epot = -22.4893103152157 | etot = -16.8796452024379 +622000 ekin = 3.58399773461891 | erot = 1.74513664213456 | epot = -22.4803416552216 | etot = -17.1512072784681 +623000 ekin = 3.63032006314557 | erot = 1.71430163919976 | epot = -22.4430926293461 | etot = -17.0984709270008 +624000 ekin = 3.65855713197028 | erot = 1.69922484729345 | epot = -22.3868122910147 | etot = -17.0290303117509 +625000 ekin = 3.60887827930814 | erot = 1.53990637330195 | epot = -22.3164178534658 | etot = -17.1676332008557 +626000 ekin = 3.5266046023718 | erot = 1.50586548866505 | epot = -22.2442897351173 | etot = -17.2118196440805 +627000 ekin = 3.50343711770174 | erot = 1.65554299653921 | epot = -22.1699228898753 | etot = -17.0109427756344 +628000 ekin = 3.39027059126337 | erot = 1.7516727323576 | epot = -22.0882385302028 | etot = -16.9462952065818 +629000 ekin = 3.23988150916915 | erot = 1.71907571962443 | epot = -21.9985657464086 | etot = -17.0396085176151 +630000 ekin = 3.19313977959945 | erot = 1.92181644528356 | epot = -21.9264321634453 | etot = -16.8114759385623 +631000 ekin = 3.16387923134672 | erot = 1.95916493180211 | epot = -21.8395694883598 | etot = -16.7165253252109 +632000 ekin = 3.14859471403509 | erot = 1.97621264135338 | epot = -21.7846629506645 | etot = -16.659855595276 +633000 ekin = 3.21562845702806 | erot = 2.00714201834293 | epot = -21.7459219259817 | etot = -16.5231514506108 +634000 ekin = 3.18996985450964 | erot = 2.01201311569096 | epot = -21.7056771658783 | etot = -16.5036941956777 +635000 ekin = 3.09651235720975 | erot = 1.73602275759662 | epot = -21.6544424588022 | etot = -16.8219073439959 +636000 ekin = 2.92860815615002 | erot = 1.85589302961923 | epot = -21.6235143680234 | etot = -16.8390131822541 +637000 ekin = 2.9145049294062 | erot = 1.98660531398791 | epot = -21.619133666584 | etot = -16.7180234231899 +638000 ekin = 2.9886464322491 | erot = 2.52300956640128 | epot = -21.6153555894526 | etot = -16.1036995908022 +639000 ekin = 2.82285402890259 | erot = 2.58031703406081 | epot = -21.5893617816824 | etot = -16.186190718719 +640000 ekin = 2.87726879521924 | erot = 2.71639270851165 | epot = -21.5512867369316 | etot = -15.9576252332007 +641000 ekin = 2.95903007169291 | erot = 2.43559640758676 | epot = -21.5137572402018 | etot = -16.1191307609221 +642000 ekin = 2.9620413382774 | erot = 2.50073908911551 | epot = -21.4303396746003 | etot = -15.9675592472074 +643000 ekin = 2.95135321760972 | erot = 2.18430881955701 | epot = -21.3830067810418 | etot = -16.2473447438751 +644000 ekin = 2.8946147226303 | erot = 2.24797742659791 | epot = -21.3844502347307 | etot = -16.2418580855025 +645000 ekin = 2.95435208333424 | erot = 2.48214942109052 | epot = -21.3637410798343 | etot = -15.9272395754095 +646000 ekin = 2.9055672357566 | erot = 2.30743635404266 | epot = -21.3137753959635 | etot = -16.1007718061642 +647000 ekin = 2.90760512758757 | erot = 2.34216740244697 | epot = -21.2632699171358 | etot = -16.0134973871012 +648000 ekin = 2.85798779133643 | erot = 2.18813680751306 | epot = -21.2316650481513 | etot = -16.1855404493018 +649000 ekin = 2.8011055300675 | erot = 1.99789309268243 | epot = -21.2271459685494 | etot = -16.4281473457995 +650000 ekin = 2.78705126935857 | erot = 2.05433186051859 | epot = -21.2258730978759 | etot = -16.3844899679987 +651000 ekin = 2.82981122207047 | erot = 2.24476751486992 | epot = -21.2549338926243 | etot = -16.1803551556839 +652000 ekin = 2.81187017826173 | erot = 2.46541600128328 | epot = -21.3104029656997 | etot = -16.0331167861547 +653000 ekin = 2.97461611593627 | erot = 2.32074630167001 | epot = -21.3681399998172 | etot = -16.0727775822109 +654000 ekin = 2.88164611559566 | erot = 2.38213902831403 | epot = -21.3981318593913 | etot = -16.1343467154816 +655000 ekin = 2.94913378760669 | erot = 2.34812868784313 | epot = -21.4113698116756 | etot = -16.1141073362258 +656000 ekin = 2.89233729061902 | erot = 2.39374651226493 | epot = -21.4288546902073 | etot = -16.1427708873233 +657000 ekin = 2.77598738951759 | erot = 2.49755521549789 | epot = -21.444950469184 | etot = -16.1714078641686 +658000 ekin = 2.77740080353575 | erot = 2.62230590128066 | epot = -21.4463092301614 | etot = -16.046602525345 +659000 ekin = 2.65259875229085 | erot = 2.75527600584018 | epot = -21.4247610675882 | etot = -16.0168863094572 +660000 ekin = 2.56686955703512 | erot = 2.62037576285298 | epot = -21.3982561329642 | etot = -16.2110108130761 +661000 ekin = 2.65054440121051 | erot = 2.62707264418943 | epot = -21.3903690458673 | etot = -16.1127520004673 +662000 ekin = 2.57957249166943 | erot = 2.57121547805632 | epot = -21.3759360832761 | etot = -16.2251481135504 +663000 ekin = 2.48664501783065 | erot = 2.38657187242597 | epot = -21.3934385678216 | etot = -16.520221677565 +664000 ekin = 2.51645777661058 | erot = 2.20401035947312 | epot = -21.4329380039065 | etot = -16.7124698678228 +665000 ekin = 2.44076978766891 | erot = 2.41816703577445 | epot = -21.4520134506829 | etot = -16.5930766272395 +666000 ekin = 2.35012835368458 | erot = 2.60496616000881 | epot = -21.468608543592 | etot = -16.5135140298986 +667000 ekin = 2.32189657004542 | erot = 2.57250144791893 | epot = -21.493981856009 | etot = -16.5995838380446 +668000 ekin = 2.36116261151376 | erot = 2.41860507877956 | epot = -21.5056838332 | etot = -16.7259161429067 +669000 ekin = 2.31387988694926 | erot = 2.33668050703713 | epot = -21.5343548142385 | etot = -16.8837944202521 +670000 ekin = 2.39198713502114 | erot = 2.44748109573363 | epot = -21.5481637926271 | etot = -16.7086955618724 +671000 ekin = 2.41568039789449 | erot = 2.60129732112569 | epot = -21.6059621481904 | etot = -16.5889844291702 +672000 ekin = 2.55961383121377 | erot = 2.5516494198211 | epot = -21.7089264495916 | etot = -16.5976631985567 +673000 ekin = 2.60207943153982 | erot = 2.89040304008769 | epot = -21.8182919408422 | etot = -16.3258094692147 +674000 ekin = 2.73648569737568 | erot = 2.81855016630383 | epot = -21.9222017117631 | etot = -16.3671658480836 +675000 ekin = 2.91114076539593 | erot = 2.36500632401704 | epot = -22.0018822691695 | etot = -16.7257351797566 +676000 ekin = 2.93341061527324 | erot = 2.28532481615634 | epot = -22.0731286226875 | etot = -16.8543931912579 +677000 ekin = 3.01470682908119 | erot = 2.22858273949015 | epot = -22.1284745680586 | etot = -16.8851849994873 +678000 ekin = 3.14497803943653 | erot = 1.93068246054129 | epot = -22.1456906590932 | etot = -17.0700301591153 +679000 ekin = 3.29461438438575 | erot = 2.1076091211883 | epot = -22.1361806217957 | etot = -16.7339571162216 +680000 ekin = 3.37176530279777 | erot = 2.01104009703978 | epot = -22.1041151314324 | etot = -16.7213097315948 +681000 ekin = 3.45483484720574 | erot = 1.9006745779217 | epot = -22.0463762684206 | etot = -16.6908668432931 +682000 ekin = 3.37894348708773 | erot = 1.72137005878542 | epot = -21.9505620370445 | etot = -16.8502484911713 +683000 ekin = 3.42286368355757 | erot = 1.851267808343 | epot = -21.8191972813593 | etot = -16.5450657894587 +684000 ekin = 3.36291962928464 | erot = 1.78272354471464 | epot = -21.6428884495562 | etot = -16.4972452755569 +685000 ekin = 3.36082871274587 | erot = 1.56476357384128 | epot = -21.4554201037061 | etot = -16.5298278171189 +686000 ekin = 3.29456600954292 | erot = 1.4526614688564 | epot = -21.2708420183485 | etot = -16.5236145399492 +687000 ekin = 3.28683183665641 | erot = 1.05147246964451 | epot = -21.0945257475366 | etot = -16.7562214412357 +688000 ekin = 3.1200573469182 | erot = 1.15864732674202 | epot = -20.9292915494188 | etot = -16.6505868757585 +689000 ekin = 2.98255457232203 | erot = 1.23350933506107 | epot = -20.789156167879 | etot = -16.5730922604959 +690000 ekin = 2.88677394533012 | erot = 1.14959548133369 | epot = -20.6827307127436 | etot = -16.6463612860798 +691000 ekin = 2.85231691921405 | erot = 1.3493894763518 | epot = -20.618749588821 | etot = -16.4170431932552 +692000 ekin = 2.82399536294284 | erot = 1.61591108279221 | epot = -20.5825839292396 | etot = -16.1426774835046 +693000 ekin = 2.78364237671965 | erot = 1.75822822075852 | epot = -20.5907390731048 | etot = -16.0488684756267 +694000 ekin = 2.73371563485489 | erot = 2.0853752693929 | epot = -20.6328696988286 | etot = -15.8137787945808 +695000 ekin = 2.57124739242674 | erot = 2.14630522202577 | epot = -20.6823542908148 | etot = -15.9648016763623 +696000 ekin = 2.51399296936984 | erot = 2.5586711835596 | epot = -20.7367847556415 | etot = -15.664120602712 +697000 ekin = 2.5045480949995 | erot = 2.5021571607765 | epot = -20.7898428219557 | etot = -15.7831375661797 +698000 ekin = 2.36358142640492 | erot = 2.63892421049623 | epot = -20.814814737847 | etot = -15.8123091009459 +699000 ekin = 2.31199340724625 | erot = 2.68625065707107 | epot = -20.7956836949862 | etot = -15.7974396306689 +700000 ekin = 2.14616834772889 | erot = 2.12698342038349 | epot = -20.7725738213778 | etot = -16.4994220532654 +701000 ekin = 2.15539690119064 | erot = 2.17922309078413 | epot = -20.7552775762032 | etot = -16.4206575842285 +702000 ekin = 2.10080573596265 | erot = 2.11876313824413 | epot = -20.7375521816454 | etot = -16.5179833074386 +703000 ekin = 2.11218006165568 | erot = 2.10588532277707 | epot = -20.7475858269107 | etot = -16.529520442478 +704000 ekin = 2.12315820389529 | erot = 2.10220748203651 | epot = -20.7572998532755 | etot = -16.5319341673437 +705000 ekin = 2.15166233402701 | erot = 2.1402299573417 | epot = -20.7941736502213 | etot = -16.5022813588526 +706000 ekin = 2.15163098226693 | erot = 2.26908854153892 | epot = -20.8512276988322 | etot = -16.4305081750263 +707000 ekin = 2.15471286696234 | erot = 2.5265790249537 | epot = -20.952057964416 | etot = -16.2707660725 +708000 ekin = 2.17467467531714 | erot = 2.49469457222147 | epot = -21.0502066736907 | etot = -16.3808374261521 +709000 ekin = 2.2527087542905 | erot = 2.67362934165249 | epot = -21.1795445148264 | etot = -16.2532064188834 +710000 ekin = 2.19946540304098 | erot = 2.99965152220121 | epot = -21.3025369771158 | etot = -16.1034200518737 +711000 ekin = 2.25060849345726 | erot = 2.69455961858579 | epot = -21.3800741765573 | etot = -16.4349060645143 +712000 ekin = 2.31009709048328 | erot = 2.56904053029559 | epot = -21.4438411099749 | etot = -16.5647034891961 +713000 ekin = 2.34856712569268 | erot = 2.67010815786396 | epot = -21.4921710148015 | etot = -16.4734957312449 +714000 ekin = 2.46551783464225 | erot = 2.47127151678511 | epot = -21.4976914761202 | etot = -16.5609021246929 +715000 ekin = 2.51889281585858 | erot = 2.39422134725105 | epot = -21.4732726012175 | etot = -16.5601584381079 +716000 ekin = 2.57715724769765 | erot = 2.54742070298338 | epot = -21.4493966986374 | etot = -16.3248187479563 +717000 ekin = 2.65149378986421 | erot = 2.37788349879642 | epot = -21.4573082004016 | etot = -16.427930911741 +718000 ekin = 2.69352880756017 | erot = 2.62278633313092 | epot = -21.4974593554888 | etot = -16.1811442147977 +719000 ekin = 2.80177184525531 | erot = 2.54312012627467 | epot = -21.5233281256771 | etot = -16.1784361541471 +720000 ekin = 2.69854861927349 | erot = 2.43897381701002 | epot = -21.559021891228 | etot = -16.4214994549445 +721000 ekin = 2.67018557216916 | erot = 2.50608214081748 | epot = -21.6315812717079 | etot = -16.4553135587213 +722000 ekin = 2.6528210671532 | erot = 2.66679722018774 | epot = -21.705637764293 | etot = -16.386019476952 +723000 ekin = 2.65361827522399 | erot = 2.9762220597586 | epot = -21.7797776559588 | etot = -16.1499373209762 +724000 ekin = 2.60569769804332 | erot = 2.7602015007975 | epot = -21.8376307834395 | etot = -16.4717315845987 +725000 ekin = 2.6312786943458 | erot = 2.69399118898632 | epot = -21.8984299962621 | etot = -16.57316011293 +726000 ekin = 2.72545330440858 | erot = 2.64253926181284 | epot = -21.9407919115122 | etot = -16.5727993452907 +727000 ekin = 2.65040284294597 | erot = 2.78538015555903 | epot = -21.9637938172424 | etot = -16.5280108187374 +728000 ekin = 2.4817900390328 | erot = 2.97450520962215 | epot = -21.9479581531627 | etot = -16.4916629045077 +729000 ekin = 2.52972405397769 | erot = 2.90212496736399 | epot = -21.9040262067808 | etot = -16.4721771854391 +730000 ekin = 2.53115260905919 | erot = 2.84472555705129 | epot = -21.8740439587405 | etot = -16.49816579263 +731000 ekin = 2.54145691682368 | erot = 2.59870522768933 | epot = -21.8660177522148 | etot = -16.7258556077018 +732000 ekin = 2.53248561362455 | erot = 2.72510944305534 | epot = -21.8573992551141 | etot = -16.5998041984342 +733000 ekin = 2.62625070581274 | erot = 2.51680047965209 | epot = -21.8396073656004 | etot = -16.6965561801356 +734000 ekin = 2.64998616374939 | erot = 2.72845692103525 | epot = -21.8405294812886 | etot = -16.4620863965039 +735000 ekin = 2.6930620716659 | erot = 3.07169199347478 | epot = -21.8204798153908 | etot = -16.0557257502501 +736000 ekin = 2.7226035182261 | erot = 2.73658566507828 | epot = -21.8062871121353 | etot = -16.3470979288309 +737000 ekin = 2.75870598942315 | erot = 2.61625561790497 | epot = -21.7997278882042 | etot = -16.4247662808761 +738000 ekin = 2.97183711263039 | erot = 2.24889762319117 | epot = -21.8158801485016 | etot = -16.59514541268 +739000 ekin = 3.05953080589944 | erot = 2.09255160152925 | epot = -21.8603696084005 | etot = -16.7082872009718 +740000 ekin = 3.27063059251342 | erot = 2.33629691806491 | epot = -21.9283581824535 | etot = -16.3214306718752 +741000 ekin = 3.35389594882302 | erot = 2.3177523792101 | epot = -21.9905348157484 | etot = -16.3188864877153 +742000 ekin = 3.37765257218107 | erot = 2.24621136389748 | epot = -22.0551085268019 | etot = -16.4312445907234 +743000 ekin = 3.34761803886636 | erot = 2.11604292737006 | epot = -22.1501165805112 | etot = -16.6864556142748 +744000 ekin = 3.45014316044781 | erot = 2.2628373980103 | epot = -22.2301851995834 | etot = -16.5172046411253 +745000 ekin = 3.50577437774123 | erot = 2.18082158773737 | epot = -22.2958892423624 | etot = -16.6092932768838 +746000 ekin = 3.6237956406297 | erot = 2.29172371219975 | epot = -22.3504185189693 | etot = -16.4348991661398 +747000 ekin = 3.66042054954956 | erot = 2.2047502504764 | epot = -22.3851646701836 | etot = -16.5199938701577 +748000 ekin = 3.50974540143194 | erot = 2.40650262572102 | epot = -22.4178592321293 | etot = -16.5016112049764 +749000 ekin = 3.56386965172005 | erot = 2.05758013521468 | epot = -22.4625938818843 | etot = -16.8411440949496 +750000 ekin = 3.49499037119096 | erot = 2.11705320323023 | epot = -22.5182146312729 | etot = -16.9061710568517 +751000 ekin = 3.52059041081212 | erot = 2.16456234667844 | epot = -22.5708671367043 | etot = -16.8857143792137 +752000 ekin = 3.52922989091295 | erot = 2.13328496260202 | epot = -22.6142453819171 | etot = -16.9517305284022 +753000 ekin = 3.54450333705172 | erot = 1.90175527543418 | epot = -22.6772611743004 | etot = -17.2310025618145 +754000 ekin = 3.45153480837564 | erot = 1.87218797414039 | epot = -22.7422768873026 | etot = -17.4185541047866 +755000 ekin = 3.40998140309997 | erot = 1.7976501197847 | epot = -22.7840720762414 | etot = -17.5764405533567 +756000 ekin = 3.34055243015443 | erot = 1.98893101943502 | epot = -22.801524919867 | etot = -17.4720414702775 +757000 ekin = 3.25995163881639 | erot = 2.23144065289767 | epot = -22.8179736050352 | etot = -17.3265813133212 +758000 ekin = 3.16254182007729 | erot = 2.33708167519903 | epot = -22.7968151839708 | etot = -17.2971916886945 +759000 ekin = 3.08959154816134 | erot = 2.90979409874038 | epot = -22.7119241491299 | etot = -16.7125385022282 +760000 ekin = 3.12610940125076 | erot = 2.74386957055392 | epot = -22.5354298293418 | etot = -16.6654508575371 +761000 ekin = 3.01773123261458 | erot = 2.5444184248282 | epot = -22.2878249475343 | etot = -16.7256752900915 +762000 ekin = 2.78676830407828 | erot = 2.45851569401923 | epot = -22.0050811851095 | etot = -16.759797187012 +763000 ekin = 2.66585974802142 | erot = 2.3623113572463 | epot = -21.7220430301031 | etot = -16.6938719248354 +764000 ekin = 2.45269004589322 | erot = 2.21799353565932 | epot = -21.4437328772732 | etot = -16.7730492957207 +765000 ekin = 2.33602063980662 | erot = 2.18630884760025 | epot = -21.2172136821302 | etot = -16.6948841947233 +766000 ekin = 2.29166126734208 | erot = 2.30483974019094 | epot = -21.0282994393417 | etot = -16.4317984318087 +767000 ekin = 2.19131441806538 | erot = 2.03557115351072 | epot = -20.8759897944535 | etot = -16.6491042228774 +768000 ekin = 2.07724554805677 | erot = 2.24966311077002 | epot = -20.7557602191192 | etot = -16.4288515602924 +769000 ekin = 2.05775411195501 | erot = 2.42542434645642 | epot = -20.6955218024995 | etot = -16.212343344088 +770000 ekin = 2.00758682747571 | erot = 2.45906745907325 | epot = -20.6929044608178 | etot = -16.2262501742688 +771000 ekin = 1.98409315586931 | erot = 2.48472564199884 | epot = -20.7734270007245 | etot = -16.3046082028563 +772000 ekin = 1.96669673892092 | erot = 2.78510583323586 | epot = -20.9254659410934 | etot = -16.1736633689366 +773000 ekin = 2.0246104727649 | erot = 2.7825476907091 | epot = -21.1083738193739 | etot = -16.3012156558999 +774000 ekin = 2.11360336305321 | erot = 2.98822109565829 | epot = -21.3029651154825 | etot = -16.201140656771 +775000 ekin = 2.14002916094013 | erot = 3.19368392739269 | epot = -21.5172002816089 | etot = -16.183487193276 +776000 ekin = 2.24832330955206 | erot = 3.06531971326596 | epot = -21.7038275157922 | etot = -16.3901844929741 +777000 ekin = 2.26862051853046 | erot = 3.05204197556552 | epot = -21.8350670013861 | etot = -16.5144045072901 +778000 ekin = 2.28742554048422 | erot = 3.14948640814974 | epot = -21.908697877618 | etot = -16.471785928984 +779000 ekin = 2.3767984920586 | erot = 3.25877776275828 | epot = -21.9331744453781 | etot = -16.2975981905612 +780000 ekin = 2.41113222109191 | erot = 3.41326897160163 | epot = -21.8804415437791 | etot = -16.0560403510855 +781000 ekin = 2.35841060920441 | erot = 3.41692834904078 | epot = -21.7562873535257 | etot = -15.9809483952805 +782000 ekin = 2.33104722618949 | erot = 3.319677867618 | epot = -21.5791021588903 | etot = -15.9283770650828 +783000 ekin = 2.44468610858591 | erot = 3.39120123577045 | epot = -21.3872233744818 | etot = -15.5513360301255 +784000 ekin = 2.470311550305 | erot = 3.16062374063231 | epot = -21.2067959255547 | etot = -15.5758606346174 +785000 ekin = 2.44425304006425 | erot = 2.93358092965286 | epot = -21.066643439754 | etot = -15.6888094700369 +786000 ekin = 2.38361530280068 | erot = 2.4700859723762 | epot = -20.9753503604685 | etot = -16.1216490852916 +787000 ekin = 2.48426374783384 | erot = 2.47298901654076 | epot = -20.8359485090634 | etot = -15.8786957446888 +788000 ekin = 2.6242212902263 | erot = 2.14521403573502 | epot = -20.7277036502939 | etot = -15.9582683243326 +789000 ekin = 2.71455119011441 | erot = 2.24597257975372 | epot = -20.9557602381598 | etot = -15.9952364682917 +790000 ekin = 2.8956628737976 | erot = 2.37559330223004 | epot = -21.3404176331914 | etot = -16.0691614571637 +791000 ekin = 2.93118110717174 | erot = 2.41626490731829 | epot = -21.5892702620177 | etot = -16.2418242475277 +792000 ekin = 2.94573011046952 | erot = 2.50772398358445 | epot = -21.7794479744542 | etot = -16.3259938804002 +793000 ekin = 2.88905153418424 | erot = 2.38272361409125 | epot = -21.9056315911049 | etot = -16.6338564428295 +794000 ekin = 2.80588096705245 | erot = 2.32779825823241 | epot = -21.9743818696617 | etot = -16.8407026443769 +795000 ekin = 2.70597772737488 | erot = 2.07317402356865 | epot = -22.0026881808382 | etot = -17.2235364298946 +796000 ekin = 2.61721688822668 | erot = 2.0877352950794 | epot = -21.991804168953 | etot = -17.286851985647 +797000 ekin = 2.43136202877026 | erot = 1.98048933877632 | epot = -21.9515392836597 | etot = -17.5396879161131 +798000 ekin = 2.3611685869334 | erot = 1.82755970456493 | epot = -21.9000645272965 | etot = -17.7113362357982 +799000 ekin = 2.29297525755987 | erot = 1.5438362356442 | epot = -21.8291726353075 | etot = -17.9923611421034 +800000 ekin = 2.24935465151491 | erot = 1.5446184795202 | epot = -21.7259751888123 | etot = -17.9320020577772 +801000 ekin = 2.14652429984544 | erot = 1.41717049108859 | epot = -21.6384618116251 | etot = -18.0747670206911 +802000 ekin = 2.30260756675948 | erot = 1.51416478035656 | epot = -21.5464279977222 | etot = -17.7296556506061 +803000 ekin = 2.34534628569431 | erot = 1.40949886579115 | epot = -21.5017245308293 | etot = -17.7468793793438 +804000 ekin = 2.31752346956293 | erot = 1.57528351351064 | epot = -21.5228204134078 | etot = -17.6300134303343 +805000 ekin = 2.51908363021985 | erot = 2.02682036822049 | epot = -21.6250345942614 | etot = -17.0791305958211 +806000 ekin = 2.69359804195114 | erot = 2.31785574785011 | epot = -21.7872941337147 | etot = -16.7758403439135 +807000 ekin = 2.78033847998713 | erot = 2.41121019329285 | epot = -21.9922590001463 | etot = -16.8007103268663 +808000 ekin = 2.80619611495204 | erot = 2.63792095913363 | epot = -22.2205031545371 | etot = -16.7763860804514 +809000 ekin = 2.88326450587356 | erot = 2.67886677112831 | epot = -22.4540143776026 | etot = -16.8918831006008 +810000 ekin = 2.91302007052046 | erot = 2.96339278377446 | epot = -22.6564267335948 | etot = -16.7800138792999 +811000 ekin = 3.09829332412426 | erot = 2.61119529725562 | epot = -22.8014808233353 | etot = -17.0919922019554 +812000 ekin = 3.08224679909644 | erot = 2.59515009531282 | epot = -22.8823180456423 | etot = -17.204921151233 +813000 ekin = 3.00916955211487 | erot = 2.7513570465975 | epot = -22.9208796974757 | etot = -17.1603530987634 +814000 ekin = 2.97174307315133 | erot = 2.90525451369445 | epot = -22.9341256772712 | etot = -17.0571280904254 +815000 ekin = 2.96997620607842 | erot = 3.14378750342501 | epot = -22.9208614386057 | etot = -16.8070977291022 +816000 ekin = 2.92448217395719 | erot = 2.88577656649752 | epot = -22.8782094391867 | etot = -17.067950698732 +817000 ekin = 2.88310554429553 | erot = 2.61870439923404 | epot = -22.8398760621413 | etot = -17.3380661186117 +818000 ekin = 2.8186685658087 | erot = 2.51624869438279 | epot = -22.790652874045 | etot = -17.4557356138535 +819000 ekin = 2.69190791098675 | erot = 1.98944862516422 | epot = -22.7267915943545 | etot = -18.0454350582035 +820000 ekin = 2.68723603002879 | erot = 1.98686669393842 | epot = -22.6848562040874 | etot = -18.0107534801202 +821000 ekin = 2.54604202399002 | erot = 2.17140584071642 | epot = -22.6462173351128 | etot = -17.9287694704063 +822000 ekin = 2.51719569259881 | erot = 2.14190227340006 | epot = -22.6036341275869 | etot = -17.944536161588 +823000 ekin = 2.3897594731009 | erot = 2.45514339808758 | epot = -22.5714957893461 | etot = -17.7265929181577 +824000 ekin = 2.31794554365845 | erot = 2.04410509977472 | epot = -22.5460261880528 | etot = -18.1839755446196 +825000 ekin = 2.2413745688521 | erot = 2.02652245530707 | epot = -22.5316621259024 | etot = -18.2637651017432 +826000 ekin = 2.17386448675867 | erot = 1.87577926811458 | epot = -22.5563066825792 | etot = -18.5066629277059 +827000 ekin = 2.15440642655349 | erot = 2.100839050741 | epot = -22.5878061584655 | etot = -18.332560681171 +828000 ekin = 1.93354077156671 | erot = 1.97318227704413 | epot = -22.6117615018474 | etot = -18.7050384532365 +829000 ekin = 1.91274491416172 | erot = 2.31769032262837 | epot = -22.6065942718288 | etot = -18.3761590350387 +830000 ekin = 1.8791033996829 | erot = 2.45880670474272 | epot = -22.612519347576 | etot = -18.2746092431504 +831000 ekin = 1.89725781672108 | erot = 2.49473420733595 | epot = -22.6167165770136 | etot = -18.2247245529566 +832000 ekin = 1.85092425351987 | erot = 2.48066273824477 | epot = -22.6085378559549 | etot = -18.2769508641902 +833000 ekin = 1.79059573863287 | erot = 2.56006070865021 | epot = -22.6126545978152 | etot = -18.2619981505321 +834000 ekin = 1.79399510293591 | erot = 2.4467311322103 | epot = -22.6154861129996 | etot = -18.3747598778534 +835000 ekin = 1.80394510948908 | erot = 2.35964658964164 | epot = -22.6388182435289 | etot = -18.4752265443982 +836000 ekin = 1.69826382101383 | erot = 2.57406388654606 | epot = -22.6545723055334 | etot = -18.3822445979735 +837000 ekin = 1.57085807181323 | erot = 2.4318727074888 | epot = -22.6792499151576 | etot = -18.6765191358556 +838000 ekin = 1.48932995393548 | erot = 2.24165123204968 | epot = -22.6860468687812 | etot = -18.955065682796 +839000 ekin = 1.38743724869555 | erot = 1.7994795781969 | epot = -22.6563653509784 | etot = -19.469448524086 +840000 ekin = 1.45337763400311 | erot = 1.96043695396606 | epot = -22.6075458233742 | etot = -19.193731235405 +841000 ekin = 1.52590522598343 | erot = 2.22694909527787 | epot = -22.5519353417638 | etot = -18.7990810205025 +842000 ekin = 1.46532363485138 | erot = 2.10614026643366 | epot = -22.4887366967109 | etot = -18.9172727954258 +843000 ekin = 1.45281094628277 | erot = 2.17368676107355 | epot = -22.4106869099643 | etot = -18.784189202608 +844000 ekin = 1.49761542714547 | erot = 2.37443717915502 | epot = -22.3449586551429 | etot = -18.4729060488424 +845000 ekin = 1.55104391739263 | erot = 2.37673299844037 | epot = -22.2778376071694 | etot = -18.3500606913364 +846000 ekin = 1.58963047079772 | erot = 2.33696583404051 | epot = -22.1844847216069 | etot = -18.2578884167687 +847000 ekin = 1.54789432070425 | erot = 2.21935266362097 | epot = -22.0782777408795 | etot = -18.3110307565543 +848000 ekin = 1.64518981802254 | erot = 2.25544436718012 | epot = -21.9989181480533 | etot = -18.0982839628507 +849000 ekin = 1.65560014958027 | erot = 2.25710120668683 | epot = -21.9671927272718 | etot = -18.0544913710047 +850000 ekin = 1.64990114979118 | erot = 2.10882779392521 | epot = -21.9923852605708 | etot = -18.2336563168545 +851000 ekin = 1.76413935252599 | erot = 2.19132684842273 | epot = -22.0608745954471 | etot = -18.1054083944984 +852000 ekin = 1.77078332134233 | erot = 2.28186973473967 | epot = -22.1743987365035 | etot = -18.1217456804215 +853000 ekin = 1.88691006136919 | erot = 2.41685663704387 | epot = -22.3155292586367 | etot = -18.0117625602236 +854000 ekin = 1.91928053806185 | erot = 2.8774224065578 | epot = -22.4875387473874 | etot = -17.6908358027677 +855000 ekin = 1.91817487389611 | erot = 2.76992189261422 | epot = -22.6436233810626 | etot = -17.9555266145523 +856000 ekin = 1.88635564274518 | erot = 2.93908057669869 | epot = -22.764714829212 | etot = -17.9392786097681 +857000 ekin = 1.87890917293745 | erot = 2.80324259714404 | epot = -22.8439440601383 | etot = -18.1617922900568 +858000 ekin = 1.76204051430181 | erot = 3.04908239798752 | epot = -22.8707912309211 | etot = -18.0596683186317 +859000 ekin = 1.7989024329101 | erot = 3.00632398338588 | epot = -22.858163621965 | etot = -18.052937205669 +860000 ekin = 1.84913198872632 | erot = 2.5368745453322 | epot = -22.8254155766962 | etot = -18.4394090426377 +861000 ekin = 1.91842166492514 | erot = 2.44106443467542 | epot = -22.7812919779301 | etot = -18.4218058783295 +862000 ekin = 2.03399415900639 | erot = 2.5163072121941 | epot = -22.7187848283737 | etot = -18.1684834571732 +863000 ekin = 2.06594803165259 | erot = 2.19676104809288 | epot = -22.6494648939955 | etot = -18.38675581425 +864000 ekin = 2.14467142649092 | erot = 2.30238631972309 | epot = -22.5816995592198 | etot = -18.1346418130058 +865000 ekin = 2.16190583025574 | erot = 2.29241108749926 | epot = -22.5280905818489 | etot = -18.0737736640939 +866000 ekin = 2.08928464919086 | erot = 2.34809191732007 | epot = -22.4600229326612 | etot = -18.0226463661503 +867000 ekin = 2.13586636899732 | erot = 2.42667521822891 | epot = -22.3898488501335 | etot = -17.8273072629073 +868000 ekin = 2.1954317166317 | erot = 2.34267445579144 | epot = -22.3416768736356 | etot = -17.8035707012125 +869000 ekin = 2.29038273021708 | erot = 1.97935314671745 | epot = -22.3115310066391 | etot = -18.0417951297045 +870000 ekin = 2.32898457121283 | erot = 2.18228869748467 | epot = -22.3276861507295 | etot = -17.816412882032 +871000 ekin = 2.23179297801797 | erot = 2.2459332826014 | epot = -22.3623188812147 | etot = -17.8845926205953 +872000 ekin = 2.29217187589275 | erot = 1.92704010734607 | epot = -22.3920054616901 | etot = -18.1727934784513 +873000 ekin = 2.32174880232822 | erot = 2.05958528502834 | epot = -22.4263932343476 | etot = -18.045059146991 +874000 ekin = 2.31327351953291 | erot = 2.03208404812009 | epot = -22.455443789151 | etot = -18.110086221498 +875000 ekin = 2.36060633411365 | erot = 1.9631506090206 | epot = -22.4715825698401 | etot = -18.1478256267058 +876000 ekin = 2.37581414827156 | erot = 1.68685668202708 | epot = -22.5004013214913 | etot = -18.4377304911927 +877000 ekin = 2.27742755728299 | erot = 1.83322419137898 | epot = -22.532116735846 | etot = -18.421464987184 +878000 ekin = 2.26319377123898 | erot = 1.87116890647667 | epot = -22.5413279545541 | etot = -18.4069652768385 +879000 ekin = 2.23196066439032 | erot = 2.13914596070875 | epot = -22.5501734041016 | etot = -18.1790667790025 +880000 ekin = 2.13938297973388 | erot = 2.29330131769629 | epot = -22.5711782332574 | etot = -18.1384939358272 +881000 ekin = 2.1318680383761 | erot = 2.14219424217023 | epot = -22.5804302674708 | etot = -18.3063679869245 +882000 ekin = 2.07769353958449 | erot = 2.09780809423879 | epot = -22.5758307354899 | etot = -18.4003291016666 +883000 ekin = 2.14813365127776 | erot = 2.3071298666471 | epot = -22.561098149685 | etot = -18.1058346317601 +884000 ekin = 2.07540055241942 | erot = 2.60971216511092 | epot = -22.5339770599324 | etot = -17.8488643424021 +885000 ekin = 2.02469768265883 | erot = 2.37910004807467 | epot = -22.5100762497929 | etot = -18.1062785190594 +886000 ekin = 2.04877327926448 | erot = 2.4920068419659 | epot = -22.4892651846766 | etot = -17.9484850634462 +887000 ekin = 2.04537209931256 | erot = 2.62826263805162 | epot = -22.4798822756914 | etot = -17.8062475383273 +888000 ekin = 1.99171888431611 | erot = 2.59410846730937 | epot = -22.5006414627785 | etot = -17.914814111153 +889000 ekin = 1.98870471402342 | erot = 2.78841340112867 | epot = -22.5468720567938 | etot = -17.7697539416417 +890000 ekin = 1.96284801049735 | erot = 2.75880808828181 | epot = -22.6085064197237 | etot = -17.8868503209446 +891000 ekin = 1.98112231165057 | erot = 3.1373459334429 | epot = -22.6928710534629 | etot = -17.5744028083695 +892000 ekin = 1.98665494216616 | erot = 3.33630831317173 | epot = -22.7519184177234 | etot = -17.4289551623855 +893000 ekin = 2.01620612275651 | erot = 3.24720583676934 | epot = -22.8064098471944 | etot = -17.5429978876685 +894000 ekin = 2.02749033009361 | erot = 3.22400069534531 | epot = -22.8521068920411 | etot = -17.6006158666022 +895000 ekin = 2.00160082448535 | erot = 3.17371669918265 | epot = -22.8614176855647 | etot = -17.6861001618967 +896000 ekin = 1.81339236987639 | erot = 2.84276750235957 | epot = -22.8462163214778 | etot = -18.1900564492418 +897000 ekin = 1.78689182954606 | erot = 2.92738822261576 | epot = -22.8071071587307 | etot = -18.0928271065689 +898000 ekin = 1.79533619439721 | erot = 3.24658999514007 | epot = -22.7264192132158 | etot = -17.6844930236785 +899000 ekin = 1.86159788109296 | erot = 3.45052252234925 | epot = -22.6568068772942 | etot = -17.344686473852 +900000 ekin = 1.871565347733 | erot = 3.32747935577909 | epot = -22.603978413148 | etot = -17.4049337096359 +901000 ekin = 1.92032230964434 | erot = 2.99424285087995 | epot = -22.5603724778797 | etot = -17.6458073173554 +902000 ekin = 1.90371430437561 | erot = 3.42499917647929 | epot = -22.5288190745234 | etot = -17.2001055936685 +903000 ekin = 1.90475417412385 | erot = 2.92419346565474 | epot = -22.481903392252 | etot = -17.6529557524734 +904000 ekin = 1.9042250885605 | erot = 2.83212155923625 | epot = -22.4265338107449 | etot = -17.6901871629482 +905000 ekin = 2.00220741569793 | erot = 2.40991127904267 | epot = -22.3822853443987 | etot = -17.9701666496581 +906000 ekin = 2.01583988806087 | erot = 2.50889047935428 | epot = -22.3419713063768 | etot = -17.8172409389617 +907000 ekin = 2.13017652685615 | erot = 2.70022028195316 | epot = -22.2948001592062 | etot = -17.4644033503968 +908000 ekin = 2.21155735897479 | erot = 2.35139718849896 | epot = -22.2413626180754 | etot = -17.6784080706016 +909000 ekin = 2.1338678778393 | erot = 2.19569541163492 | epot = -22.1827827026496 | etot = -17.8532194131754 +910000 ekin = 2.16567596171951 | erot = 2.22520003505022 | epot = -22.1149129856203 | etot = -17.7240369888505 +911000 ekin = 2.15809222107774 | erot = 2.2903717395524 | epot = -22.0462122442145 | etot = -17.5977482835843 +912000 ekin = 2.22087547394806 | erot = 2.43655350626844 | epot = -21.9749682300971 | etot = -17.3175392498806 +913000 ekin = 2.19758537995934 | erot = 2.46754067556537 | epot = -21.8990451147449 | etot = -17.2339190592201 +914000 ekin = 2.14504994740269 | erot = 2.32786068060022 | epot = -21.8498156381494 | etot = -17.3769050101465 +915000 ekin = 2.15677546734478 | erot = 2.12497444036448 | epot = -21.8141432513078 | etot = -17.5323933435985 +916000 ekin = 2.2160014572559 | erot = 2.25340153292628 | epot = -21.7876876242378 | etot = -17.3182846340556 +917000 ekin = 2.23364693785389 | erot = 2.35177352781133 | epot = -21.7779589013955 | etot = -17.1925384357302 +918000 ekin = 2.08464913851938 | erot = 2.61658836146497 | epot = -21.7825075848243 | etot = -17.08127008484 +919000 ekin = 2.05155719758452 | erot = 2.37138616162095 | epot = -21.8289412030755 | etot = -17.4059978438701 +920000 ekin = 1.99021755546965 | erot = 2.17794976390656 | epot = -21.8761397201475 | etot = -17.7079724007713 +921000 ekin = 2.01039430381082 | erot = 2.29773189624593 | epot = -21.9108483283986 | etot = -17.6027221283418 +922000 ekin = 1.92539579138491 | erot = 2.21469038539231 | epot = -21.9265528183995 | etot = -17.7864666416223 +923000 ekin = 1.89135276318219 | erot = 2.48033290205602 | epot = -21.9147153156562 | etot = -17.5430296504179 +924000 ekin = 1.83373481371766 | erot = 2.30418865946995 | epot = -21.8715535507915 | etot = -17.7336300776039 +925000 ekin = 1.80384785511454 | erot = 2.49787879385034 | epot = -21.8417123497579 | etot = -17.539985700793 +926000 ekin = 1.90546414331473 | erot = 2.28964220950023 | epot = -21.8161106439945 | etot = -17.6210042911796 +927000 ekin = 1.7580003185621 | erot = 2.26185811978829 | epot = -21.8155973506605 | etot = -17.7957389123101 +928000 ekin = 1.73012385728564 | erot = 2.25745755725552 | epot = -21.8415061020356 | etot = -17.8539246874944 +929000 ekin = 1.70181106675635 | erot = 2.24508495229485 | epot = -21.9018319158879 | etot = -17.9549358968367 +930000 ekin = 1.78315203550054 | erot = 2.33522003414065 | epot = -22.0077604163365 | etot = -17.8893883466953 +931000 ekin = 1.77363895925538 | erot = 2.46038215962633 | epot = -22.1457204230464 | etot = -17.9116993041647 +932000 ekin = 1.76667271586465 | erot = 2.59245568108974 | epot = -22.3144614382831 | etot = -17.9553330413287 +933000 ekin = 1.78209785938963 | erot = 2.56752596800069 | epot = -22.4867886743831 | etot = -18.1371648469928 +934000 ekin = 1.87173647679322 | erot = 2.44750687382837 | epot = -22.6262337406975 | etot = -18.3069903900759 +935000 ekin = 1.89665977697722 | erot = 2.59891583987174 | epot = -22.7433040011002 | etot = -18.2477283842512 +936000 ekin = 1.89920259119386 | erot = 2.87375257167893 | epot = -22.8003443005922 | etot = -18.0273891377194 +937000 ekin = 1.86426948560265 | erot = 2.6477908473408 | epot = -22.7873604341046 | etot = -18.2753001011611 +938000 ekin = 1.86665683366312 | erot = 2.42302063492745 | epot = -22.7023246368742 | etot = -18.4126471682836 +939000 ekin = 1.76698390194023 | erot = 2.40739406174174 | epot = -22.5642561328094 | etot = -18.3898781691274 +940000 ekin = 1.75137690733249 | erot = 2.2407642793918 | epot = -22.3713737329341 | etot = -18.3792325462098 +941000 ekin = 1.58963621298461 | erot = 2.27191088485099 | epot = -22.1644304701045 | etot = -18.3028833722689 +942000 ekin = 1.46232602489932 | erot = 2.08408025750091 | epot = -21.9623923454062 | etot = -18.415986063006 +943000 ekin = 1.49840034172783 | erot = 2.09453482021866 | epot = -21.8214517267662 | etot = -18.2285165648197 +944000 ekin = 1.50566445428555 | erot = 2.0804963575743 | epot = -21.7243523604003 | etot = -18.1381915485405 +945000 ekin = 1.52481544863406 | erot = 2.24222261671406 | epot = -21.6950663303363 | etot = -17.9280282649882 +946000 ekin = 1.6705269846928 | erot = 2.20043430064301 | epot = -21.7083474408069 | etot = -17.837386155471 +947000 ekin = 1.75831919417236 | erot = 2.42832255803237 | epot = -21.7266669161379 | etot = -17.5400251639331 +948000 ekin = 1.77052178602355 | erot = 2.24375036337206 | epot = -21.7571925539277 | etot = -17.7429204045321 +949000 ekin = 1.90525688107151 | erot = 2.15107670024899 | epot = -21.7910913830632 | etot = -17.7347578017427 +950000 ekin = 1.99637307838944 | erot = 2.29947036820447 | epot = -21.8702527820815 | etot = -17.5744093354876 +951000 ekin = 2.10483728892661 | erot = 2.30940850407659 | epot = -21.9629695449489 | etot = -17.5487237519457 +952000 ekin = 2.18030789934715 | erot = 2.68842229181026 | epot = -22.0513964726281 | etot = -17.1826662814707 +953000 ekin = 2.29894777100509 | erot = 2.69603811292209 | epot = -22.1773476270753 | etot = -17.1823617431481 +954000 ekin = 2.50427642784842 | erot = 2.51587062326898 | epot = -22.2938756187015 | etot = -17.2737285675841 +955000 ekin = 2.68601007095003 | erot = 2.85595708623568 | epot = -22.4136942236144 | etot = -16.8717270664287 +956000 ekin = 2.86208234199811 | erot = 2.86492575592064 | epot = -22.527658282728 | etot = -16.8006501848093 +957000 ekin = 2.94712002857954 | erot = 3.23864127130547 | epot = -22.6062380946234 | etot = -16.4204767947384 +958000 ekin = 3.09033820658136 | erot = 3.08801001679431 | epot = -22.6118588804753 | etot = -16.4335106570996 +959000 ekin = 3.12093785566108 | erot = 3.07623469356954 | epot = -22.5436503994893 | etot = -16.3464778502587 +960000 ekin = 2.9069016374156 | erot = 3.01090766604238 | epot = -22.3906223678567 | etot = -16.4728130643988 +961000 ekin = 2.88926986935772 | erot = 2.81186239490758 | epot = -22.1509889576314 | etot = -16.4498566933661 +962000 ekin = 2.71651285756864 | erot = 2.69353640054316 | epot = -21.8539054312201 | etot = -16.4438561731083 +963000 ekin = 2.60409923966584 | erot = 2.39582384415016 | epot = -21.5416906703578 | etot = -16.5417675865418 +964000 ekin = 2.40781072012883 | erot = 2.16537437005288 | epot = -21.2330620721338 | etot = -16.6598769819521 +965000 ekin = 2.3377527582572 | erot = 2.03652274723743 | epot = -20.9588727103859 | etot = -16.5845972048913 +966000 ekin = 2.17944465260408 | erot = 2.02332848530725 | epot = -20.7642311299462 | etot = -16.5614579920349 +967000 ekin = 2.07498857026491 | erot = 2.11733282843234 | epot = -20.6152408895115 | etot = -16.4229194908142 +968000 ekin = 1.977515230712 | erot = 2.25496129774362 | epot = -20.5096192481148 | etot = -16.2771427196591 +969000 ekin = 1.99431122494612 | erot = 2.15454095745195 | epot = -20.4866822650025 | etot = -16.3378300826044 +970000 ekin = 2.00624797975466 | erot = 2.31644539427668 | epot = -20.4984368720275 | etot = -16.1757434979961 +971000 ekin = 2.03726182368004 | erot = 2.57406911909556 | epot = -20.5474355193071 | etot = -15.9361045765315 +972000 ekin = 2.11053299316045 | erot = 2.66924970104389 | epot = -20.5957948560729 | etot = -15.8160121618686 +973000 ekin = 2.13909953768404 | erot = 2.79309645313436 | epot = -20.6193111119725 | etot = -15.6871151211541 +974000 ekin = 2.03642559896498 | erot = 2.93377318653239 | epot = -20.614312681758 | etot = -15.6441138962606 +975000 ekin = 1.91630022907467 | erot = 2.56349308712614 | epot = -20.5694430140224 | etot = -16.0896496978216 +976000 ekin = 1.83216235810445 | erot = 2.64204586914641 | epot = -20.5231354926881 | etot = -16.0489272654372 +977000 ekin = 1.76505303121169 | erot = 2.68514846627339 | epot = -20.450057807627 | etot = -15.9998563101419 +978000 ekin = 1.73639184783128 | erot = 2.27119801193581 | epot = -20.3949825706915 | etot = -16.3873927109244 +979000 ekin = 1.81309943455166 | erot = 2.0382217960969 | epot = -20.3578721503554 | etot = -16.5065509197068 +980000 ekin = 1.79425326253144 | erot = 1.72046042714389 | epot = -20.3201056722031 | etot = -16.8053919825278 +981000 ekin = 1.84538588980124 | erot = 1.5997723280769 | epot = -20.3368599575054 | etot = -16.8917017396273 +982000 ekin = 1.9361024609619 | erot = 1.75747204617031 | epot = -20.4060032926331 | etot = -16.7124287855009 +983000 ekin = 1.99928359157551 | erot = 1.98902145591294 | epot = -20.4909781895417 | etot = -16.5026731420533 +984000 ekin = 2.19592051978336 | erot = 2.0961389717365 | epot = -20.625461827793 | etot = -16.3334023362731 +985000 ekin = 2.31254022438617 | erot = 2.24661234767528 | epot = -20.7844444229606 | etot = -16.2252918508992 +986000 ekin = 2.45455647294253 | erot = 2.08651767106892 | epot = -20.9596902957359 | etot = -16.4186161517244 +987000 ekin = 2.56068322151367 | erot = 2.27175324341725 | epot = -21.1348257089466 | etot = -16.3023892440157 +988000 ekin = 2.67201091365387 | erot = 2.31132475520005 | epot = -21.3185263075068 | etot = -16.3351906386529 +989000 ekin = 2.79950226646054 | erot = 2.49566247067108 | epot = -21.4876529502242 | etot = -16.1924882130926 +990000 ekin = 2.90927705603666 | erot = 2.70153575217409 | epot = -21.6276754302458 | etot = -16.0168626220351 +991000 ekin = 3.0768477512586 | erot = 3.08981572487771 | epot = -21.7184165043297 | etot = -15.5517530281934 +992000 ekin = 3.12051956981868 | erot = 3.14725854673712 | epot = -21.7580543270397 | etot = -15.4902762104839 +993000 ekin = 3.1206281076354 | erot = 3.10806695223056 | epot = -21.7488136709546 | etot = -15.5201186110886 +994000 ekin = 3.10341951101567 | erot = 3.39574822230794 | epot = -21.7355411993581 | etot = -15.2363734660345 +995000 ekin = 3.07116945452499 | erot = 3.61798155979366 | epot = -21.7172569404682 | etot = -15.0281059261496 +996000 ekin = 3.08751007567431 | erot = 3.2258719437312 | epot = -21.7092684412539 | etot = -15.3958864218484 +997000 ekin = 3.02133326540191 | erot = 3.2296690929186 | epot = -21.7044711321527 | etot = -15.4534687738322 +998000 ekin = 3.04814833733096 | erot = 3.33574456092159 | epot = -21.6714291500291 | etot = -15.2875362517765 +999000 ekin = 3.13698021613259 | erot = 3.24185323699451 | epot = -21.6125731456074 | etot = -15.2337396924803 +1000000 ekin = 3.12438752705776 | erot = 2.79887049874961 | epot = -21.5300188398266 | etot = -15.6067608140192 + 1000000 0.13886167 -1.3621774 0.016551227 -1.150352 9.5441241e-05 64000 +Loop time of 30.4944 on 1 procs for 1000000 steps with 16 atoms + +Performance: 28333.078 tau/day, 32792.915 timesteps/s +99.7% CPU use with 1 MPI tasks x no OpenMP threads + +MPI task timing breakdown: +Section | min time | avg time | max time |%varavg| %total +--------------------------------------------------------------- +Pair | 24.671 | 24.671 | 24.671 | 0.0 | 80.90 +Bond | 0.87876 | 0.87876 | 0.87876 | 0.0 | 2.88 +Neigh | 0.020568 | 0.020568 | 0.020568 | 0.0 | 0.07 +Comm | 0.3709 | 0.3709 | 0.3709 | 0.0 | 1.22 +Output | 0.15202 | 0.15202 | 0.15202 | 0.0 | 0.50 +Modify | 4.1177 | 4.1177 | 4.1177 | 0.0 | 13.50 +Other | | 0.283 | | | 0.93 + +Nlocal: 16.0000 ave 16 max 16 min +Histogram: 1 0 0 0 0 0 0 0 0 0 +Nghost: 0.00000 ave 0 max 0 min +Histogram: 1 0 0 0 0 0 0 0 0 0 +Neighs: 105.000 ave 105 max 105 min +Histogram: 1 0 0 0 0 0 0 0 0 0 + +Total # of neighbors = 105 +Ave neighs/atom = 6.5625000 +Ave special neighs/atom = 3.7500000 +Neighbor list builds = 1000 +Dangerous builds = 0 + +write_data last_config.${number}.* nocoeff +write_data last_config.2.* nocoeff +System init for write_data ... +#write_restart last_config.${number}.* +Total wall time: 0:00:30 diff --git a/examples/PACKAGES/cgdna/examples/oxDNA/duplex2/log.2Jul21.duplex2.g++.4 b/examples/PACKAGES/cgdna/examples/oxDNA/duplex2/log.2Jul21.duplex2.g++.4 new file mode 100644 index 0000000000..4356b9c90d --- /dev/null +++ b/examples/PACKAGES/cgdna/examples/oxDNA/duplex2/log.2Jul21.duplex2.g++.4 @@ -0,0 +1,1173 @@ +LAMMPS (2 Jul 2021) +variable number equal 2 +variable ofreq equal 1000 +variable efreq equal 1000 +variable T equal 0.1 + +units lj + +dimension 3 + +newton on + +boundary p p p + +atom_style hybrid bond ellipsoid oxdna +WARNING: Atom style hybrid defines both, per-type and per-atom masses; both must be set, but only per-atom masses will be used (../atom_vec_hybrid.cpp:157) +atom_modify sort 0 1.0 + +# Pair interactions require lists of neighbours to be calculated +neighbor 2.0 bin +neigh_modify every 1 delay 0 check yes + +read_data data.duplex2 +Reading data file ... + orthogonal box = (-20.000000 -20.000000 -20.000000) to (20.000000 20.000000 20.000000) + 1 by 2 by 2 MPI processor grid + reading atoms ... + 16 atoms + reading velocities ... + 16 velocities + scanning bonds ... + 1 = max bonds/atom + 16 ellipsoids + reading bonds ... + 13 bonds +Finding 1-2 1-3 1-4 neighbors ... + special bond factors lj: 0 0 0 + special bond factors coul: 0 0 0 + 2 = max # of 1-2 neighbors + 2 = max # of 1-3 neighbors + 4 = max # of 1-4 neighbors + 6 = max # of special neighbors + special bonds CPU = 0.001 seconds + read_data CPU = 0.005 seconds + +set atom * mass 3.1575 +Setting atom values ... + 16 settings made for mass + +group all type 1 4 +16 atoms in group all + +# oxDNA bond interactions - FENE backbone +bond_style oxdna/fene +bond_coeff * 2.0 0.25 0.7525 +special_bonds lj 0 1 1 +Finding 1-2 1-3 1-4 neighbors ... + special bond factors lj: 0 1 1 + special bond factors coul: 0 0 0 + 2 = max # of 1-2 neighbors + 2 = max # of 1-3 neighbors + 4 = max # of 1-4 neighbors + 6 = max # of special neighbors + special bonds CPU = 0.000 seconds + +# oxDNA pair interactions +pair_style hybrid/overlay oxdna/excv oxdna/stk oxdna/hbond oxdna/xstk oxdna/coaxstk +pair_coeff * * oxdna/excv 2.0 0.7 0.675 2.0 0.515 0.5 2.0 0.33 0.32 +pair_coeff * * oxdna/stk seqav ${T} 1.3448 2.6568 6.0 0.4 0.9 0.32 0.75 1.3 0 0.8 0.9 0 0.95 0.9 0 0.95 2.0 0.65 2.0 0.65 +pair_coeff * * oxdna/stk seqav 0.1 1.3448 2.6568 6.0 0.4 0.9 0.32 0.75 1.3 0 0.8 0.9 0 0.95 0.9 0 0.95 2.0 0.65 2.0 0.65 +pair_coeff * * oxdna/hbond seqav 0.0 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 +pair_coeff 1 4 oxdna/hbond seqav 1.077 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 +pair_coeff 2 3 oxdna/hbond seqav 1.077 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 +pair_coeff * * oxdna/xstk 47.5 0.575 0.675 0.495 0.655 2.25 0.791592653589793 0.58 1.7 1.0 0.68 1.7 1.0 0.68 1.5 0 0.65 1.7 0.875 0.68 1.7 0.875 0.68 +pair_coeff * * oxdna/coaxstk 46.0 0.4 0.6 0.22 0.58 2.0 2.541592653589793 0.65 1.3 0 0.8 0.9 0 0.95 0.9 0 0.95 2.0 -0.65 2.0 -0.65 + +# NVE ensemble +fix 1 all nve/asphere +fix 2 all langevin ${T} ${T} 2.5 457145 angmom 10 +fix 2 all langevin 0.1 ${T} 2.5 457145 angmom 10 +fix 2 all langevin 0.1 0.1 2.5 457145 angmom 10 + +timestep 1e-5 + +#comm_style tiled +fix 3 all balance 1000 1.03 shift xyz 10 1.03 +comm_modify cutoff 3.8 + +compute quat all property/atom quatw quati quatj quatk + +compute erot all erotate/asphere +compute ekin all ke +compute epot all pe +variable erot equal c_erot +variable ekin equal c_ekin +variable epot equal c_epot +variable etot equal c_erot+c_ekin+c_epot +fix 5 all print ${efreq} "$(step) ekin = ${ekin} | erot = ${erot} | epot = ${epot} | etot = ${etot}" screen yes +fix 5 all print 1000 "$(step) ekin = ${ekin} | erot = ${erot} | epot = ${epot} | etot = ${etot}" screen yes + +dump out all custom ${ofreq} out.${number}.lammpstrj id mol type x y z ix iy iz vx vy vz c_quat[1] c_quat[2] c_quat[3] c_quat[4] angmomx angmomy angmomz +dump out all custom 1000 out.${number}.lammpstrj id mol type x y z ix iy iz vx vy vz c_quat[1] c_quat[2] c_quat[3] c_quat[4] angmomx angmomy angmomz +dump out all custom 1000 out.2.lammpstrj id mol type x y z ix iy iz vx vy vz c_quat[1] c_quat[2] c_quat[3] c_quat[4] angmomx angmomy angmomz +dump_modify out sort id +dump_modify out format line "%d %d %d %22.15le %22.15le %22.15le %d %d %d %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le" + +run 1000000 +Neighbor list info ... + update every 1 steps, delay 0 steps, check yes + max neighbors/atom: 2000, page size: 100000 + master list distance cutoff = 2.9560004 + ghost atom cutoff = 3.8 + binsize = 1.4780002, bins = 28 28 28 + 4 neighbor lists, perpetual/occasional/extra = 4 0 0 + (1) pair oxdna/excv, perpetual + attributes: half, newton on + pair build: half/bin/newton + stencil: half/bin/3d + bin: standard + (2) pair oxdna/hbond, perpetual, copy from (1) + attributes: half, newton on + pair build: copy + stencil: none + bin: none + (3) pair oxdna/xstk, perpetual, copy from (1) + attributes: half, newton on + pair build: copy + stencil: none + bin: none + (4) pair oxdna/coaxstk, perpetual, copy from (1) + attributes: half, newton on + pair build: copy + stencil: none + bin: none +0 ekin = 2.70475393009871 | erot = 2.80172072918779 | epot = -21.9967648054699 | etot = -16.4902901461834 +Per MPI rank memory allocation (min/avg/max) = 8.984 | 9.016 | 9.096 Mbytes +Step Temp E_pair E_mol TotEng Press Volume + 0 0.12021129 -1.3914531 0.016655298 -1.2057507 5.174549e-05 64000 +1000 ekin = 2.69992875879531 | erot = 3.03905971783101 | epot = -21.7993424099171 | etot = -16.0603539332907 +2000 ekin = 2.74236013741186 | erot = 2.48566425489664 | epot = -21.5864392778805 | etot = -16.358414885572 +3000 ekin = 2.71406239909253 | erot = 2.2379964617931 | epot = -21.4096440189505 | etot = -16.4575851580649 +4000 ekin = 2.62654210651837 | erot = 2.20187014105975 | epot = -21.2649637920051 | etot = -16.436551544427 +5000 ekin = 2.54619704507768 | erot = 2.19543579497861 | epot = -21.1625272503904 | etot = -16.4208944103341 +6000 ekin = 2.54036074498671 | erot = 2.24575383349946 | epot = -21.1026949544699 | etot = -16.3165803759837 +7000 ekin = 2.54636725719323 | erot = 2.17480262107778 | epot = -21.0944608538479 | etot = -16.3732909755769 +8000 ekin = 2.44266194745414 | erot = 1.89959276882142 | epot = -21.1290547630673 | etot = -16.7868000467917 +9000 ekin = 2.49849768578547 | erot = 1.91590827145359 | epot = -21.2010010008038 | etot = -16.7865950435647 +10000 ekin = 2.60405521154315 | erot = 2.31942457678919 | epot = -21.2714985323704 | etot = -16.3480187440381 +11000 ekin = 2.51729626827439 | erot = 2.60159361363173 | epot = -21.3305509557368 | etot = -16.2116610738307 +12000 ekin = 2.52572671978709 | erot = 2.38660744367415 | epot = -21.4045010372609 | etot = -16.4921668737996 +13000 ekin = 2.6003507735884 | erot = 2.37491144376808 | epot = -21.501501753381 | etot = -16.5262395360245 +14000 ekin = 2.66935763609378 | erot = 2.22902438599211 | epot = -21.5988036534075 | etot = -16.7004216313216 +15000 ekin = 2.71551281751847 | erot = 2.21389248221189 | epot = -21.6990132370777 | etot = -16.7696079373473 +16000 ekin = 2.84978299090939 | erot = 2.43940966993631 | epot = -21.7959192679746 | etot = -16.5067266071289 +17000 ekin = 2.95072779743509 | erot = 2.38947543725578 | epot = -21.8722593940791 | etot = -16.5320561593883 +18000 ekin = 2.85884496438636 | erot = 2.37101194861285 | epot = -21.9018380946369 | etot = -16.6719811816377 +19000 ekin = 2.77343461594062 | erot = 2.33973079907439 | epot = -21.8809702826779 | etot = -16.7678048676629 +20000 ekin = 2.58401274142397 | erot = 2.55272418280189 | epot = -21.8165314333068 | etot = -16.6797945090809 +21000 ekin = 2.51192366343062 | erot = 2.51457779660486 | epot = -21.7320362651688 | etot = -16.7055348051334 +22000 ekin = 2.49083859662966 | erot = 2.52955288592737 | epot = -21.6292667596243 | etot = -16.6088752770672 +23000 ekin = 2.39128650481518 | erot = 2.2075391744556 | epot = -21.5149142799637 | etot = -16.9160886006929 +24000 ekin = 2.35988329046228 | erot = 1.90440982269664 | epot = -21.4005066979858 | etot = -17.1362135848269 +25000 ekin = 2.28215741570376 | erot = 1.9697790536657 | epot = -21.3141881001702 | etot = -17.0622516308007 +26000 ekin = 2.19749762241965 | erot = 2.2783364703954 | epot = -21.263472573334 | etot = -16.7876384805189 +27000 ekin = 2.00825875058883 | erot = 2.19976409135101 | epot = -21.265928423673 | etot = -17.0579055817332 +28000 ekin = 1.84164368193047 | erot = 2.29604978886222 | epot = -21.2913487545157 | etot = -17.153655283723 +29000 ekin = 1.85165645974808 | erot = 2.1316357761727 | epot = -21.3636874932621 | etot = -17.3803952573413 +30000 ekin = 1.81585331071778 | erot = 2.36969485723272 | epot = -21.4672495085949 | etot = -17.2817013406444 +31000 ekin = 1.87586085382615 | erot = 2.30099083087629 | epot = -21.6118799895369 | etot = -17.4350283048345 +32000 ekin = 2.01266417384559 | erot = 2.39241064946051 | epot = -21.7843461993916 | etot = -17.3792713760855 +33000 ekin = 2.10031097060263 | erot = 2.65484725731934 | epot = -21.9744733587441 | etot = -17.2193151308221 +34000 ekin = 2.02466181562198 | erot = 2.84373149584292 | epot = -22.194126260332 | etot = -17.3257329488671 +35000 ekin = 1.97481459340813 | erot = 3.01731663707891 | epot = -22.4189097716656 | etot = -17.4267785411786 +36000 ekin = 2.01233253730944 | erot = 2.9176407320361 | epot = -22.6202547427807 | etot = -17.6902814734351 +37000 ekin = 2.07225850980039 | erot = 3.06834431569997 | epot = -22.8024087727696 | etot = -17.6618059472693 +38000 ekin = 2.05378795549781 | erot = 3.0363867535271 | epot = -22.9460226281607 | etot = -17.8558479191358 +39000 ekin = 2.06863065757201 | erot = 3.09515376673006 | epot = -23.0335342083504 | etot = -17.8697497840484 +40000 ekin = 2.00014415298571 | erot = 3.04584432430158 | epot = -23.0612280460053 | etot = -18.015239568718 +41000 ekin = 2.05172104966417 | erot = 2.77830340889767 | epot = -23.0196796418278 | etot = -18.189655183266 +42000 ekin = 2.05229847533166 | erot = 2.85273348534644 | epot = -22.9340198298525 | etot = -18.0289878691744 +43000 ekin = 1.9375580548129 | erot = 3.046505133258 | epot = -22.820917445214 | etot = -17.8368542571431 +44000 ekin = 1.84663697745675 | erot = 2.93951969808353 | epot = -22.703167317854 | etot = -17.9170106423137 +45000 ekin = 1.72975781399545 | erot = 2.60801842461352 | epot = -22.6010710155897 | etot = -18.2632947769807 +46000 ekin = 1.5918663290664 | erot = 2.62841769679508 | epot = -22.5067814781868 | etot = -18.2864974523253 +47000 ekin = 1.54109228867547 | erot = 2.65380906308329 | epot = -22.4139741210197 | etot = -18.2190727692609 +48000 ekin = 1.52801508900135 | erot = 2.56168528383555 | epot = -22.3146405234587 | etot = -18.2249401506218 +49000 ekin = 1.45236147507209 | erot = 2.19683353122211 | epot = -22.2336496311393 | etot = -18.5844546248451 +50000 ekin = 1.37133529115918 | erot = 2.38139075376814 | epot = -22.1777849612814 | etot = -18.4250589163541 +51000 ekin = 1.37894610429119 | erot = 2.55643955595488 | epot = -22.1214711763546 | etot = -18.1860855161085 +52000 ekin = 1.37307011220264 | erot = 2.64858735385417 | epot = -22.0854715362774 | etot = -18.0638140702206 +53000 ekin = 1.45140505120432 | erot = 2.86325966198773 | epot = -22.0769774994391 | etot = -17.7623127862471 +54000 ekin = 1.49400380215147 | erot = 3.02929024277184 | epot = -22.0888809603766 | etot = -17.5655869154533 +55000 ekin = 1.55040404860755 | erot = 2.51182875106841 | epot = -22.110508190484 | etot = -18.0482753908081 +56000 ekin = 1.49109168917175 | erot = 2.54803153869061 | epot = -22.1366154026192 | etot = -18.0974921747569 +57000 ekin = 1.50050137913426 | erot = 2.41737584414227 | epot = -22.1821202184231 | etot = -18.2642429951466 +58000 ekin = 1.60635589846639 | erot = 2.23996961758249 | epot = -22.2360694135128 | etot = -18.3897438974639 +59000 ekin = 1.72952597734791 | erot = 2.32633058396662 | epot = -22.2901578024364 | etot = -18.2343012411218 +60000 ekin = 1.69244797185259 | erot = 2.40027807279513 | epot = -22.3434040927657 | etot = -18.250678048118 +61000 ekin = 1.72620703032667 | erot = 2.11017860160473 | epot = -22.3831797154275 | etot = -18.5467940834961 +62000 ekin = 1.79594241743978 | erot = 2.21560837695549 | epot = -22.4218397438853 | etot = -18.41028894949 +63000 ekin = 1.77262742266283 | erot = 2.30422369990022 | epot = -22.4467748467827 | etot = -18.3699237242197 +64000 ekin = 1.85527283619093 | erot = 2.3126781136296 | epot = -22.4674777591492 | etot = -18.2995268093287 +65000 ekin = 1.78989203446879 | erot = 1.94802383598239 | epot = -22.4675168623455 | etot = -18.7296009918943 +66000 ekin = 1.77252597290745 | erot = 1.82642026775547 | epot = -22.4502267764221 | etot = -18.8512805357592 +67000 ekin = 1.80939758337874 | erot = 1.93052561353093 | epot = -22.440758264484 | etot = -18.7008350675744 +68000 ekin = 1.89908121763759 | erot = 2.02160808150964 | epot = -22.4404733275273 | etot = -18.5197840283801 +69000 ekin = 1.91605115497137 | erot = 1.99686686402571 | epot = -22.4556690038854 | etot = -18.5427509848884 +70000 ekin = 1.97266986208221 | erot = 1.99525089575647 | epot = -22.4717127742739 | etot = -18.5037920164352 +71000 ekin = 2.00234841846526 | erot = 2.03963009556294 | epot = -22.4872545087286 | etot = -18.4452759947004 +72000 ekin = 2.04989413571925 | erot = 2.251257126901 | epot = -22.5010508598365 | etot = -18.1998995972162 +73000 ekin = 1.96796663525086 | erot = 2.56091060599074 | epot = -22.5094020746161 | etot = -17.9805248333745 +74000 ekin = 1.94071763184331 | erot = 2.25118509796072 | epot = -22.4905641504119 | etot = -18.2986614206078 +75000 ekin = 1.90464776054054 | erot = 2.11018286106258 | epot = -22.4609449840088 | etot = -18.4461143624057 +76000 ekin = 1.96940901357865 | erot = 2.01632288693274 | epot = -22.4274745611146 | etot = -18.4417426606032 +77000 ekin = 1.94486767834805 | erot = 1.90684819966059 | epot = -22.3863373806159 | etot = -18.5346215026073 +78000 ekin = 1.96983919523036 | erot = 1.93099842937097 | epot = -22.344384650684 | etot = -18.4435470260826 +79000 ekin = 1.95938649015114 | erot = 1.86810626994579 | epot = -22.2942796582418 | etot = -18.4667868981449 +80000 ekin = 2.08117502277241 | erot = 1.51004106283071 | epot = -22.2616445282532 | etot = -18.6704284426501 +81000 ekin = 2.12565876638683 | erot = 1.68774361309041 | epot = -22.2503002969457 | etot = -18.4368979174685 +82000 ekin = 2.1024876598189 | erot = 1.68162562422037 | epot = -22.2731769674722 | etot = -18.4890636834329 +83000 ekin = 2.14448498615641 | erot = 1.81975712217532 | epot = -22.304671895878 | etot = -18.3404297875462 +84000 ekin = 2.13258101148045 | erot = 2.02922410781381 | epot = -22.3428808393218 | etot = -18.1810757200275 +85000 ekin = 2.08512493333083 | erot = 2.32083438054863 | epot = -22.3826539010024 | etot = -17.9766945871229 +86000 ekin = 2.17050776391433 | erot = 1.96275338625837 | epot = -22.4224341826942 | etot = -18.2891730325215 +87000 ekin = 2.2398985260089 | erot = 2.23705181642094 | epot = -22.4705294491959 | etot = -17.9935791067661 +88000 ekin = 2.27467140557785 | erot = 2.15326395377642 | epot = -22.513560970712 | etot = -18.0856256113577 +89000 ekin = 2.28843889082878 | erot = 2.12736799131705 | epot = -22.5645528135015 | etot = -18.1487459313557 +90000 ekin = 2.30332724032361 | erot = 2.29619358357547 | epot = -22.621069415243 | etot = -18.021548591344 +91000 ekin = 2.31381008485173 | erot = 2.07740016205537 | epot = -22.6563472804759 | etot = -18.2651370335688 +92000 ekin = 2.37378013130092 | erot = 2.23716627480794 | epot = -22.6690655261852 | etot = -18.0581191200763 +93000 ekin = 2.26456629794214 | erot = 2.65755706511332 | epot = -22.6595495475479 | etot = -17.7374261844924 +94000 ekin = 2.27111991294099 | erot = 2.70843483649312 | epot = -22.6144390606054 | etot = -17.6348843111713 +95000 ekin = 2.16051509784259 | erot = 2.76861411098494 | epot = -22.5458959635297 | etot = -17.6167667547022 +96000 ekin = 2.13622684332841 | erot = 3.00618377960085 | epot = -22.4457322783082 | etot = -17.3033216553789 +97000 ekin = 2.07419989457639 | erot = 2.65264916199247 | epot = -22.3153975468028 | etot = -17.588548490234 +98000 ekin = 2.11485220649791 | erot = 2.62887211771588 | epot = -22.2055031918167 | etot = -17.4617788676029 +99000 ekin = 2.14284693208925 | erot = 2.66222856414602 | epot = -22.1106632337977 | etot = -17.3055877375625 +100000 ekin = 2.1730834183665 | erot = 2.09482283074159 | epot = -22.043708504035 | etot = -17.7758022549269 +101000 ekin = 2.14866231805627 | erot = 2.38819764750835 | epot = -22.0122713210887 | etot = -17.4754113555241 +102000 ekin = 2.16493629238997 | erot = 2.64896606924374 | epot = -22.0210513992314 | etot = -17.2071490375977 +103000 ekin = 2.15114511690207 | erot = 2.56525012972715 | epot = -22.0652696455725 | etot = -17.3488743989433 +104000 ekin = 2.15671515638238 | erot = 2.62706983245359 | epot = -22.1421811666569 | etot = -17.358396177821 +105000 ekin = 2.12719541152403 | erot = 2.65706885533805 | epot = -22.2143972740324 | etot = -17.4301330071703 +106000 ekin = 2.1377470772108 | erot = 2.76654607800828 | epot = -22.2775634673612 | etot = -17.3732703121421 +107000 ekin = 2.20102004108557 | erot = 2.66823836970957 | epot = -22.3043515122748 | etot = -17.4350931014797 +108000 ekin = 2.17638500145548 | erot = 2.80828381708576 | epot = -22.3097186034589 | etot = -17.3250497849176 +109000 ekin = 2.19829684637025 | erot = 2.90666104596411 | epot = -22.282790113145 | etot = -17.1778322208107 +110000 ekin = 2.17152588755655 | erot = 2.81646086297867 | epot = -22.2246380567944 | etot = -17.2366513062592 +111000 ekin = 2.1537343646266 | erot = 2.45540077609881 | epot = -22.1236900284647 | etot = -17.5145548877393 +112000 ekin = 2.13686027679006 | erot = 2.53611388444163 | epot = -21.9714471685635 | etot = -17.2984730073318 +113000 ekin = 2.14753928432348 | erot = 2.38847611973762 | epot = -21.7866419003015 | etot = -17.2506264962404 +114000 ekin = 2.12631244931904 | erot = 2.25317215555341 | epot = -21.5978462560726 | etot = -17.2183616512002 +115000 ekin = 2.10651342910372 | erot = 2.32111327425019 | epot = -21.4106414032646 | etot = -16.9830146999107 +116000 ekin = 2.05857214689201 | erot = 2.34273379327708 | epot = -21.2543641951754 | etot = -16.8530582550063 +117000 ekin = 2.06082171760157 | erot = 2.29311267774735 | epot = -21.1252553707799 | etot = -16.771320975431 +118000 ekin = 2.07134223704075 | erot = 2.26440570108461 | epot = -21.020110076221 | etot = -16.6843621380957 +119000 ekin = 2.06457225589943 | erot = 1.93952258456715 | epot = -20.9769994108546 | etot = -16.972904570388 +120000 ekin = 2.11859853404644 | erot = 1.85164657615878 | epot = -20.9836901114857 | etot = -17.0134450012804 +121000 ekin = 2.16647853751427 | erot = 2.33645973353316 | epot = -21.0297394121115 | etot = -16.5268011410641 +122000 ekin = 2.26904266267125 | erot = 2.41049986821536 | epot = -21.1056070652395 | etot = -16.4260645343529 +123000 ekin = 2.21420535468718 | erot = 2.31638894325154 | epot = -21.1806353306483 | etot = -16.6500410327096 +124000 ekin = 2.25664202990643 | erot = 2.58640626588714 | epot = -21.2735600007682 | etot = -16.4305117049747 +125000 ekin = 2.28621615469859 | erot = 2.48741243437927 | epot = -21.33670340398 | etot = -16.5630748149022 +126000 ekin = 2.35529670025442 | erot = 2.68371862500862 | epot = -21.3743088823657 | etot = -16.3352935571027 +127000 ekin = 2.31727265883053 | erot = 2.65927495810834 | epot = -21.3864411166437 | etot = -16.4098934997048 +128000 ekin = 2.43349491835542 | erot = 2.48790131465779 | epot = -21.3667639128875 | etot = -16.4453676798743 +129000 ekin = 2.39675815548537 | erot = 2.10710860946299 | epot = -21.3539228728258 | etot = -16.8500561078775 +130000 ekin = 2.41755439047172 | erot = 1.81077952884566 | epot = -21.3548853564728 | etot = -17.1265514371554 +131000 ekin = 2.40648552369037 | erot = 1.77591735253035 | epot = -21.3574203976689 | etot = -17.1750175214481 +132000 ekin = 2.40897764408254 | erot = 1.730598467728 | epot = -21.3537520189401 | etot = -17.2141759071296 +133000 ekin = 2.37448540151596 | erot = 1.85880466212885 | epot = -21.3533218886588 | etot = -17.120031825014 +134000 ekin = 2.35796776832177 | erot = 2.06779644045339 | epot = -21.3551168402504 | etot = -16.9293526314752 +135000 ekin = 2.32265431042309 | erot = 2.18050776639534 | epot = -21.3445924581615 | etot = -16.841430381343 +136000 ekin = 2.26143919660737 | erot = 2.06564627363195 | epot = -21.3331599119328 | etot = -17.0060744416935 +137000 ekin = 2.23396906090406 | erot = 2.26473864092821 | epot = -21.3170510126767 | etot = -16.8183433108445 +138000 ekin = 2.25323790872622 | erot = 2.21298196842966 | epot = -21.3256388087684 | etot = -16.8594189316125 +139000 ekin = 2.35354475362125 | erot = 2.11114514997111 | epot = -21.4066516687639 | etot = -16.9419617651716 +140000 ekin = 2.31521381923623 | erot = 2.26671366611825 | epot = -21.4995923309512 | etot = -16.9176648455967 +141000 ekin = 2.33446890243273 | erot = 2.2458560577034 | epot = -21.5117862025255 | etot = -16.9314612423893 +142000 ekin = 2.33661695709308 | erot = 1.99377963333143 | epot = -21.5249788887696 | etot = -17.1945822983451 +143000 ekin = 2.35917698394992 | erot = 1.78177229585752 | epot = -21.5633348907872 | etot = -17.4223856109798 +144000 ekin = 2.41193656560927 | erot = 1.85068539007341 | epot = -21.6190569181184 | etot = -17.3564349624357 +145000 ekin = 2.50328391189521 | erot = 1.97991868781725 | epot = -21.6627615329474 | etot = -17.1795589332349 +146000 ekin = 2.52501086531617 | erot = 1.94890179310193 | epot = -21.7158596570766 | etot = -17.2419469986585 +147000 ekin = 2.55047937715167 | erot = 1.85137728928154 | epot = -21.7917365034049 | etot = -17.3898798369717 +148000 ekin = 2.52990172449131 | erot = 2.00218673263758 | epot = -21.8973033212467 | etot = -17.3652148641178 +149000 ekin = 2.47322709286654 | erot = 2.00142069560529 | epot = -22.0256184185787 | etot = -17.5509706301069 +150000 ekin = 2.55997956203425 | erot = 2.04181533809334 | epot = -22.1371239984736 | etot = -17.535329098346 +151000 ekin = 2.44470695881357 | erot = 2.34031071867535 | epot = -22.2527174105277 | etot = -17.4676997330388 +152000 ekin = 2.44475737305745 | erot = 2.26076754628984 | epot = -22.3351232248327 | etot = -17.6295983054854 +153000 ekin = 2.46166206744171 | erot = 2.17894561391992 | epot = -22.3636879590958 | etot = -17.7230802777341 +154000 ekin = 2.49242904735496 | erot = 2.18959276990461 | epot = -22.3683882355899 | etot = -17.6863664183303 +155000 ekin = 2.44328722883231 | erot = 2.13628761933913 | epot = -22.3356925905996 | etot = -17.7561177424282 +156000 ekin = 2.45031007040204 | erot = 2.26271751825021 | epot = -22.2682169791444 | etot = -17.5551893904921 +157000 ekin = 2.46907480878132 | erot = 1.93271915185536 | epot = -22.2160752580766 | etot = -17.8142812974399 +158000 ekin = 2.47549100134241 | erot = 1.8913430375128 | epot = -22.1750861634876 | etot = -17.8082521246323 +159000 ekin = 2.44378132199929 | erot = 1.82517595680765 | epot = -22.1335445885755 | etot = -17.8645873097686 +160000 ekin = 2.35644874685005 | erot = 1.85678861125791 | epot = -22.1078628335997 | etot = -17.8946254754918 +161000 ekin = 2.44175357097686 | erot = 2.14888928050333 | epot = -22.1031987495152 | etot = -17.512555898035 +162000 ekin = 2.46554036240822 | erot = 2.05333880369385 | epot = -22.1046164027324 | etot = -17.5857372366303 +163000 ekin = 2.36847802529543 | erot = 2.16987713772662 | epot = -22.1331210722207 | etot = -17.5947659091986 +164000 ekin = 2.31295455943998 | erot = 2.1887977205257 | epot = -22.1887776544464 | etot = -17.6870253744808 +165000 ekin = 2.37278415235371 | erot = 2.59415671104245 | epot = -22.269158133539 | etot = -17.3022172701428 +166000 ekin = 2.4571517702507 | erot = 2.91759661846332 | epot = -22.3489659308413 | etot = -16.9742175421273 +167000 ekin = 2.52772481698523 | erot = 2.95707760474977 | epot = -22.4233688575491 | etot = -16.9385664358141 +168000 ekin = 2.38117634975353 | erot = 2.66863240829489 | epot = -22.4863077773179 | etot = -17.4364990192695 +169000 ekin = 2.37442003008243 | erot = 3.02523535510244 | epot = -22.5524544630733 | etot = -17.1527990778884 +170000 ekin = 2.35912346263692 | erot = 3.26723708493091 | epot = -22.5931462410023 | etot = -16.9667856934345 +171000 ekin = 2.30318527402303 | erot = 3.14616282609875 | epot = -22.609006009243 | etot = -17.1596579091213 +172000 ekin = 2.2740316291813 | erot = 3.03566839385151 | epot = -22.5926818968567 | etot = -17.2829818738239 +173000 ekin = 2.2834164296893 | erot = 3.07205239473259 | epot = -22.5825638558613 | etot = -17.2270950314394 +174000 ekin = 2.32458116486063 | erot = 3.00979281518586 | epot = -22.5948442115049 | etot = -17.2604702314584 +175000 ekin = 2.28314539624411 | erot = 2.68632336807997 | epot = -22.6176552757194 | etot = -17.6481865113953 +176000 ekin = 2.39450710620737 | erot = 2.64107287395728 | epot = -22.6667041549035 | etot = -17.6311241747389 +177000 ekin = 2.34061737024895 | erot = 2.84587683178913 | epot = -22.7367147797011 | etot = -17.550220577663 +178000 ekin = 2.37612348031839 | erot = 3.01155432501149 | epot = -22.8363255725682 | etot = -17.4486477672383 +179000 ekin = 2.44543239233025 | erot = 2.86468226567423 | epot = -22.9489860454763 | etot = -17.6388713874718 +180000 ekin = 2.43660202081815 | erot = 2.76977637853855 | epot = -23.0553980647271 | etot = -17.8490196653704 +181000 ekin = 2.48112579799578 | erot = 2.62783914170244 | epot = -23.1486576952534 | etot = -18.0396927555552 +182000 ekin = 2.49495772650956 | erot = 2.4219283767703 | epot = -23.2214385077917 | etot = -18.3045524045118 +183000 ekin = 2.64232135835008 | erot = 2.16689603195343 | epot = -23.2638526717324 | etot = -18.4546352814289 +184000 ekin = 2.60197203740116 | erot = 2.23382360906437 | epot = -23.281896504963 | etot = -18.4461008584975 +185000 ekin = 2.57711189972515 | erot = 2.46016697006761 | epot = -23.3003293492567 | etot = -18.263050479464 +186000 ekin = 2.52186177988752 | erot = 2.57013836767114 | epot = -23.3067390551247 | etot = -18.2147389075661 +187000 ekin = 2.50245214010155 | erot = 2.79417927414254 | epot = -23.2961635629811 | etot = -17.999532148737 +188000 ekin = 2.46480838237763 | erot = 3.04604077517077 | epot = -23.2499789204155 | etot = -17.7391297628671 +189000 ekin = 2.30511335916345 | erot = 2.75740516208171 | epot = -23.1747970843814 | etot = -18.1122785631363 +190000 ekin = 2.21392698297057 | erot = 2.7195569697482 | epot = -23.0904117080343 | etot = -18.1569277553156 +191000 ekin = 2.16967810266233 | erot = 2.75919231540795 | epot = -23.0140192997739 | etot = -18.0851488817036 +192000 ekin = 1.98382084286023 | erot = 3.0342957441601 | epot = -22.932931475377 | etot = -17.9148148883567 +193000 ekin = 1.85970667375602 | erot = 2.92182615510918 | epot = -22.8656246963102 | etot = -18.0840918674449 +194000 ekin = 1.79296966804507 | erot = 2.88349607002158 | epot = -22.8222401649262 | etot = -18.1457744268595 +195000 ekin = 1.64582813172123 | erot = 2.50667314432805 | epot = -22.7522033865825 | etot = -18.5997021105332 +196000 ekin = 1.60167277963834 | erot = 2.389891779398 | epot = -22.6637097277972 | etot = -18.6721451687609 +197000 ekin = 1.71167813407953 | erot = 2.0958900785364 | epot = -22.5747312796683 | etot = -18.7671630670524 +198000 ekin = 1.6477625476503 | erot = 1.92608890072771 | epot = -22.4842649258581 | etot = -18.9104134774801 +199000 ekin = 1.65621021226667 | erot = 2.21876596478764 | epot = -22.4280470542138 | etot = -18.5530708771595 +200000 ekin = 1.68396557470043 | erot = 2.18851360029551 | epot = -22.3792802940388 | etot = -18.5068011190429 +201000 ekin = 1.58452256050707 | erot = 2.76907779285225 | epot = -22.3014443905322 | etot = -17.9478440371729 +202000 ekin = 1.54321939213116 | erot = 2.44655962102416 | epot = -22.2136540120257 | etot = -18.2238749988704 +203000 ekin = 1.49527423056762 | erot = 2.44440846517485 | epot = -22.1231335789825 | etot = -18.18345088324 +204000 ekin = 1.42525079936429 | erot = 2.83745592867434 | epot = -22.0409614513841 | etot = -17.7782547233455 +205000 ekin = 1.42978422295413 | erot = 2.95341773064209 | epot = -21.9571851603537 | etot = -17.5739832067575 +206000 ekin = 1.36049778309753 | erot = 2.83549996707315 | epot = -21.8974335725847 | etot = -17.701435822414 +207000 ekin = 1.29887157812385 | erot = 3.03783363013874 | epot = -21.8430515160585 | etot = -17.5063463077959 +208000 ekin = 1.34341544648367 | erot = 3.11373358018432 | epot = -21.7856032354132 | etot = -17.3284542087452 +209000 ekin = 1.37014771279221 | erot = 2.91335961336079 | epot = -21.7135808557961 | etot = -17.4300735296431 +210000 ekin = 1.42476756889871 | erot = 2.89331189478055 | epot = -21.5850142544314 | etot = -17.2669347907521 +211000 ekin = 1.34927361868025 | erot = 2.68288143618388 | epot = -21.4400426672502 | etot = -17.407887612386 +212000 ekin = 1.49128069580886 | erot = 2.70604382180414 | epot = -21.2914762616266 | etot = -17.0941517440136 +213000 ekin = 1.59986466327348 | erot = 2.65822930237663 | epot = -21.1410448576728 | etot = -16.8829508920227 +214000 ekin = 1.5757095331727 | erot = 2.79629927670816 | epot = -20.9904223688208 | etot = -16.6184135589399 +215000 ekin = 1.63256105235984 | erot = 2.69597024855507 | epot = -20.8601256454149 | etot = -16.5315943445 +216000 ekin = 1.6706438526472 | erot = 2.44739930798256 | epot = -20.7555716480128 | etot = -16.637528487383 +217000 ekin = 1.62188800637991 | erot = 2.43305557283328 | epot = -20.7224133282123 | etot = -16.6674697489991 +218000 ekin = 1.64606636901754 | erot = 2.64869814661889 | epot = -20.7502510322015 | etot = -16.4554865165651 +219000 ekin = 1.70353414409861 | erot = 2.79972211302508 | epot = -20.7845992910569 | etot = -16.2813430339333 +220000 ekin = 1.74880022179267 | erot = 2.64905074347642 | epot = -20.8396457684434 | etot = -16.4417948031743 +221000 ekin = 1.81236487768055 | erot = 2.93669133915729 | epot = -20.9499015869697 | etot = -16.2008453701318 +222000 ekin = 1.8464916185936 | erot = 2.8528717577386 | epot = -21.0927343336171 | etot = -16.3933709572849 +223000 ekin = 1.87441660338496 | erot = 2.96311764811079 | epot = -21.256488559318 | etot = -16.4189543078222 +224000 ekin = 2.099077858395 | erot = 2.75433402152822 | epot = -21.4248183617082 | etot = -16.5714064817849 +225000 ekin = 2.30010533938633 | erot = 2.67454361218696 | epot = -21.6008171170613 | etot = -16.626168165488 +226000 ekin = 2.42689725101247 | erot = 2.70736025408605 | epot = -21.7515066872426 | etot = -16.6172491821441 +227000 ekin = 2.5489592916598 | erot = 2.79460739709124 | epot = -21.8741313055211 | etot = -16.5305646167701 +228000 ekin = 2.61677978890101 | erot = 2.79388359916089 | epot = -21.973054308316 | etot = -16.5623909202541 +229000 ekin = 2.63216772040858 | erot = 2.92346177925241 | epot = -22.0307357525402 | etot = -16.4751062528792 +230000 ekin = 2.58390489345892 | erot = 2.87686964533661 | epot = -22.0461245567339 | etot = -16.5853500179384 +231000 ekin = 2.66188078761021 | erot = 2.60162661808981 | epot = -22.0186848953781 | etot = -16.7551774896781 +232000 ekin = 2.65841421937251 | erot = 2.5895008496799 | epot = -21.952644801982 | etot = -16.7047297329296 +233000 ekin = 2.67013502535664 | erot = 2.39334157986007 | epot = -21.8593772977148 | etot = -16.7959006924981 +234000 ekin = 2.55687226826843 | erot = 2.28743657262095 | epot = -21.7196048549654 | etot = -16.875296014076 +235000 ekin = 2.40908240211938 | erot = 2.18856718834614 | epot = -21.5568246763417 | etot = -16.9591750858761 +236000 ekin = 2.45296495728498 | erot = 1.73228998399408 | epot = -21.3990016680233 | etot = -17.2137467267443 +237000 ekin = 2.45647675573909 | erot = 1.55838299475453 | epot = -21.2711453873863 | etot = -17.2562856368927 +238000 ekin = 2.45085948587478 | erot = 1.73357194764442 | epot = -21.1889221126868 | etot = -17.0044906791676 +239000 ekin = 2.46602609451874 | erot = 1.90065188676605 | epot = -21.166756319606 | etot = -16.8000783383212 +240000 ekin = 2.33796945986692 | erot = 2.10011736609387 | epot = -21.1933792884251 | etot = -16.7552924624643 +241000 ekin = 2.44155086640189 | erot = 2.52942218937962 | epot = -21.2654521458313 | etot = -16.2944790900498 +242000 ekin = 2.43726026146497 | erot = 2.56189785799929 | epot = -21.3596468217689 | etot = -16.3604887023046 +243000 ekin = 2.38527720170892 | erot = 2.92483517968791 | epot = -21.4476955876489 | etot = -16.1375832062521 +244000 ekin = 2.43305152135009 | erot = 3.13030199682032 | epot = -21.5253542662414 | etot = -15.962000748071 +245000 ekin = 2.34248058405637 | erot = 3.39654754017984 | epot = -21.5746719384287 | etot = -15.8356438141925 +246000 ekin = 2.22203010314013 | erot = 3.24539512103687 | epot = -21.6102612139387 | etot = -16.1428359897617 +247000 ekin = 2.18161414825927 | erot = 3.17708625003423 | epot = -21.6121017617733 | etot = -16.2534013634798 +248000 ekin = 2.1478602785734 | erot = 2.93493583442515 | epot = -21.5821175301772 | etot = -16.4993214171787 +249000 ekin = 2.1154622560352 | erot = 2.65676577989598 | epot = -21.5328260462557 | etot = -16.7605980103245 +250000 ekin = 2.08258254452512 | erot = 2.5127810917753 | epot = -21.4612192152784 | etot = -16.865855578978 +251000 ekin = 1.97424894878218 | erot = 2.34806738759122 | epot = -21.3923428532782 | etot = -17.0700265169048 +252000 ekin = 1.97048808369658 | erot = 1.99115759882258 | epot = -21.3271316585962 | etot = -17.365485976077 +253000 ekin = 2.01408243379406 | erot = 2.32755027924602 | epot = -21.2782132891153 | etot = -16.9365805760753 +254000 ekin = 2.08055003788165 | erot = 1.89671800228131 | epot = -21.2526263857111 | etot = -17.2753583455481 +255000 ekin = 2.03693196256137 | erot = 2.07777286412269 | epot = -21.2590218685806 | etot = -17.1443170418966 +256000 ekin = 2.09443852502215 | erot = 1.9307299733728 | epot = -21.2924018193622 | etot = -17.2672333209673 +257000 ekin = 2.15892268396653 | erot = 1.80542946186151 | epot = -21.3549991612156 | etot = -17.3906470153876 +258000 ekin = 2.17985531861447 | erot = 1.78899461221364 | epot = -21.4290810676496 | etot = -17.4602311368214 +259000 ekin = 2.21879481100378 | erot = 2.00042152481937 | epot = -21.5156859416453 | etot = -17.2964696058222 +260000 ekin = 2.23230781087038 | erot = 1.9246911998121 | epot = -21.5739218213468 | etot = -17.4169228106643 +261000 ekin = 2.20725422443409 | erot = 1.9506311297175 | epot = -21.6226626065191 | etot = -17.4647772523675 +262000 ekin = 2.25364220587787 | erot = 1.86806956106366 | epot = -21.6606203978344 | etot = -17.5389086308929 +263000 ekin = 2.27451911244103 | erot = 1.88576182425905 | epot = -21.6707355563002 | etot = -17.5104546196001 +264000 ekin = 2.31743274100668 | erot = 1.89043794607685 | epot = -21.665836761993 | etot = -17.4579660749095 +265000 ekin = 2.34289229985172 | erot = 2.08595197099478 | epot = -21.6767978216755 | etot = -17.247953550829 +266000 ekin = 2.38993006534833 | erot = 2.06541078395749 | epot = -21.7067349963998 | etot = -17.251394147094 +267000 ekin = 2.42913514053654 | erot = 1.90515845127836 | epot = -21.7537718671937 | etot = -17.4194782753788 +268000 ekin = 2.56337406000808 | erot = 1.9262375618368 | epot = -21.8331768183359 | etot = -17.3435651964911 +269000 ekin = 2.61168966394751 | erot = 1.99189529087476 | epot = -21.8974804447419 | etot = -17.2938954899196 +270000 ekin = 2.53639435963124 | erot = 2.18070434963338 | epot = -21.9584187694415 | etot = -17.2413200601769 +271000 ekin = 2.47304999487576 | erot = 2.35836713203746 | epot = -21.9991923760467 | etot = -17.1677752491335 +272000 ekin = 2.47073160362057 | erot = 2.18239415020593 | epot = -22.0193810519898 | etot = -17.3662552981633 +273000 ekin = 2.41611288682344 | erot = 2.11264062363068 | epot = -22.0447361710735 | etot = -17.5159826606194 +274000 ekin = 2.33309205622051 | erot = 2.12677358473254 | epot = -22.0456863660977 | etot = -17.5858207251447 +275000 ekin = 2.2532514977808 | erot = 2.1934534644948 | epot = -21.9873759762877 | etot = -17.5406710140121 +276000 ekin = 2.11579900114231 | erot = 2.01180248953941 | epot = -21.898147992951 | etot = -17.7705465022692 +277000 ekin = 2.01204365223002 | erot = 1.98722100035171 | epot = -21.7960888645597 | etot = -17.796824211978 +278000 ekin = 1.94141858256043 | erot = 2.28521819509407 | epot = -21.7113859217471 | etot = -17.4847491440926 +279000 ekin = 1.83792081872233 | erot = 2.29363129336715 | epot = -21.6511613802401 | etot = -17.5196092681506 +280000 ekin = 1.73807918416884 | erot = 2.50531944195158 | epot = -21.6488609007439 | etot = -17.4054622746235 +281000 ekin = 1.7343274310991 | erot = 2.68378820070505 | epot = -21.6510875258492 | etot = -17.232971894045 +282000 ekin = 1.70745435944703 | erot = 2.46311716439966 | epot = -21.7026331884707 | etot = -17.5320616646241 +283000 ekin = 1.60185741540728 | erot = 2.73972949535769 | epot = -21.7889693093868 | etot = -17.4473823986219 +284000 ekin = 1.45656966763946 | erot = 3.08718988751354 | epot = -21.9109766986026 | etot = -17.3672171434496 +285000 ekin = 1.52336397324813 | erot = 3.23489044535602 | epot = -22.077134823922 | etot = -17.3188804053178 +286000 ekin = 1.52886747117861 | erot = 3.26500488671044 | epot = -22.2419806366666 | etot = -17.4481082787776 +287000 ekin = 1.55827258137914 | erot = 3.21853982890253 | epot = -22.3745806229378 | etot = -17.5977682126562 +288000 ekin = 1.62221220393012 | erot = 3.11944065317533 | epot = -22.4753647550738 | etot = -17.7337118979683 +289000 ekin = 1.6725177195504 | erot = 2.53263586427476 | epot = -22.5286401037665 | etot = -18.3234865199413 +290000 ekin = 1.79922183320684 | erot = 2.60060797838042 | epot = -22.5663935494001 | etot = -18.1665637378129 +291000 ekin = 1.83910683599852 | erot = 2.21931974991997 | epot = -22.5984502564983 | etot = -18.5400236705798 +292000 ekin = 1.94895219983996 | erot = 2.13471584079374 | epot = -22.6223121384565 | etot = -18.5386440978228 +293000 ekin = 2.00848212838236 | erot = 2.19116654326696 | epot = -22.6334508938888 | etot = -18.4338022222395 +294000 ekin = 2.10559198417455 | erot = 1.93202707864317 | epot = -22.6586912703105 | etot = -18.6210722074928 +295000 ekin = 2.21769154753227 | erot = 1.88155097269466 | epot = -22.7095788430015 | etot = -18.6103363227746 +296000 ekin = 2.33458415024599 | erot = 2.23498610265743 | epot = -22.7640278342613 | etot = -18.1944575813579 +297000 ekin = 2.4288563229209 | erot = 1.96776290060617 | epot = -22.8238447137231 | etot = -18.427225490196 +298000 ekin = 2.55470243764216 | erot = 2.23334330823271 | epot = -22.9186285858851 | etot = -18.1305828400102 +299000 ekin = 2.66453185837124 | erot = 2.34987058034016 | epot = -23.0168248151097 | etot = -18.0024223763983 +300000 ekin = 2.72119699302716 | erot = 2.29170874462643 | epot = -23.0901056634067 | etot = -18.0771999257531 +301000 ekin = 2.81586193114724 | erot = 2.13213339022168 | epot = -23.1495883754428 | etot = -18.2015930540739 +302000 ekin = 2.91520994762744 | erot = 1.8827605169696 | epot = -23.1915517299786 | etot = -18.3935812653816 +303000 ekin = 3.00910392441906 | erot = 1.95969044044566 | epot = -23.2200453504933 | etot = -18.2512509856286 +304000 ekin = 3.09252107593619 | erot = 1.6252402693675 | epot = -23.236224750659 | etot = -18.5184634053553 +305000 ekin = 3.18333327783383 | erot = 1.6471076729939 | epot = -23.2396880778629 | etot = -18.4092471270352 +306000 ekin = 3.23038524508787 | erot = 1.86572791579384 | epot = -23.222672281532 | etot = -18.1265591206503 +307000 ekin = 3.17553918919369 | erot = 2.33048974790651 | epot = -23.1930577755999 | etot = -17.6870288384997 +308000 ekin = 3.05565196722459 | erot = 2.12851261980203 | epot = -23.1373688624437 | etot = -17.9532042754171 +309000 ekin = 3.06886265684608 | erot = 2.25716457141466 | epot = -23.0626811521325 | etot = -17.7366539238718 +310000 ekin = 2.91034787850185 | erot = 2.45832048654338 | epot = -23.0039736316975 | etot = -17.6353052666522 +311000 ekin = 2.80209798482135 | erot = 2.69963602433984 | epot = -22.9644587572485 | etot = -17.4627247480873 +312000 ekin = 2.89133577486423 | erot = 2.91057311416264 | epot = -22.9280382115918 | etot = -17.126129322565 +313000 ekin = 2.85188593774405 | erot = 2.647560991136 | epot = -22.9072517674231 | etot = -17.407804838543 +314000 ekin = 2.78595369543581 | erot = 2.70015943474036 | epot = -22.9231273154876 | etot = -17.4370141853114 +315000 ekin = 2.80274029888255 | erot = 2.58977766570975 | epot = -22.9544686180926 | etot = -17.5619506535003 +316000 ekin = 2.8131693061063 | erot = 2.69098007120303 | epot = -22.9778084391865 | etot = -17.4736590618771 +317000 ekin = 2.92747042873615 | erot = 2.60588706069167 | epot = -22.9662401312093 | etot = -17.4328826417815 +318000 ekin = 2.92235999955187 | erot = 2.47590791759846 | epot = -22.9395079234947 | etot = -17.5412400063443 +319000 ekin = 2.95294558428569 | erot = 2.32846959673444 | epot = -22.8862142058978 | etot = -17.6047990248777 +320000 ekin = 2.96034320261015 | erot = 1.9613246232207 | epot = -22.8325608441838 | etot = -17.9108930183529 +321000 ekin = 3.0506123149287 | erot = 1.60256900115909 | epot = -22.7729675622172 | etot = -18.1197862461294 +322000 ekin = 3.06917008169242 | erot = 1.78242384845945 | epot = -22.7183310735855 | etot = -17.8667371434336 +323000 ekin = 3.01773744699225 | erot = 1.54792296048668 | epot = -22.6793347879491 | etot = -18.1136743804702 +324000 ekin = 3.00480822228207 | erot = 1.41906862436121 | epot = -22.6494390826943 | etot = -18.225562236051 +325000 ekin = 2.89783034430756 | erot = 1.53330273244729 | epot = -22.6175860707658 | etot = -18.186452994011 +326000 ekin = 2.86411015648586 | erot = 1.46437933803477 | epot = -22.5787186521105 | etot = -18.2502291575899 +327000 ekin = 2.85311531697703 | erot = 1.586968215819 | epot = -22.5591982819074 | etot = -18.1191147491114 +328000 ekin = 2.86747144026844 | erot = 1.74413948970451 | epot = -22.5408974569851 | etot = -17.9292865270122 +329000 ekin = 2.78611224528683 | erot = 1.59178805962532 | epot = -22.4940152398142 | etot = -18.116114934902 +330000 ekin = 2.69317692812664 | erot = 1.77728472427353 | epot = -22.4199575472594 | etot = -17.9494958948593 +331000 ekin = 2.66550770553886 | erot = 1.86897796248962 | epot = -22.3262951615913 | etot = -17.7918094935628 +332000 ekin = 2.46548011243449 | erot = 1.7863999774723 | epot = -22.2432651292251 | etot = -17.9913850393183 +333000 ekin = 2.38707429510581 | erot = 1.88540525492867 | epot = -22.1912828165259 | etot = -17.9188032664914 +334000 ekin = 2.2984232336711 | erot = 1.9156954724491 | epot = -22.1605657807781 | etot = -17.9464470746579 +335000 ekin = 2.14328705611348 | erot = 1.93351743363523 | epot = -22.1267428568707 | etot = -18.049938367122 +336000 ekin = 2.17230386456888 | erot = 1.84213347788919 | epot = -22.0906093676854 | etot = -18.0761720252273 +337000 ekin = 2.12998408141735 | erot = 1.61504892612894 | epot = -22.0362365245475 | etot = -18.2912035170012 +338000 ekin = 2.2234410055195 | erot = 1.68131888644295 | epot = -21.9914967299634 | etot = -18.0867368380009 +339000 ekin = 2.17397763598084 | erot = 2.04937445475351 | epot = -21.9399664944352 | etot = -17.7166144037009 +340000 ekin = 2.20074652018769 | erot = 2.20161688813931 | epot = -21.9270463566988 | etot = -17.5246829483718 +341000 ekin = 2.27511078184168 | erot = 2.29314361762742 | epot = -21.9408735448824 | etot = -17.3726191454132 +342000 ekin = 2.23496832750102 | erot = 2.56505101253473 | epot = -21.9730675845141 | etot = -17.1730482444784 +343000 ekin = 2.1418080972412 | erot = 2.97675645193228 | epot = -21.9956779914414 | etot = -16.8771134422679 +344000 ekin = 2.21267070166951 | erot = 2.2214319223185 | epot = -22.0021896006044 | etot = -17.5680869766164 +345000 ekin = 2.33078283444885 | erot = 2.24242604297002 | epot = -22.0150204126161 | etot = -17.4418115351972 +346000 ekin = 2.34407159811772 | erot = 1.99201495775964 | epot = -22.0385016930848 | etot = -17.7024151372074 +347000 ekin = 2.44088137371629 | erot = 2.12531879806791 | epot = -22.0618508546084 | etot = -17.4956506828242 +348000 ekin = 2.64914602526502 | erot = 2.46233252053005 | epot = -22.0937551106249 | etot = -16.9822765648298 +349000 ekin = 2.74052569579444 | erot = 2.48588913287134 | epot = -22.1113349203142 | etot = -16.8849200916484 +350000 ekin = 2.63009093889676 | erot = 2.96194682397746 | epot = -22.1188176550616 | etot = -16.5267798921874 +351000 ekin = 2.58934992266522 | erot = 2.8770434785033 | epot = -22.1025806281004 | etot = -16.6361872269319 +352000 ekin = 2.54228487046046 | erot = 2.63361513807466 | epot = -22.0652686765352 | etot = -16.8893686680001 +353000 ekin = 2.53249364323794 | erot = 2.47221948070279 | epot = -22.0318641173351 | etot = -17.0271509933944 +354000 ekin = 2.56206560145027 | erot = 2.34662515218716 | epot = -22.0126143901229 | etot = -17.1039236364855 +355000 ekin = 2.53151865051015 | erot = 2.4113052948177 | epot = -21.9989758809431 | etot = -17.0561519356152 +356000 ekin = 2.38856942051704 | erot = 2.45957154153151 | epot = -21.9929238390891 | etot = -17.1447828770405 +357000 ekin = 2.3850318504501 | erot = 2.38151023524606 | epot = -22.0040942348341 | etot = -17.2375521491379 +358000 ekin = 2.4475851295007 | erot = 2.71803579945329 | epot = -22.0072561961478 | etot = -16.8416352671938 +359000 ekin = 2.38516688439539 | erot = 2.57286490732318 | epot = -21.9670271651238 | etot = -17.0089953734052 +360000 ekin = 2.33663079544671 | erot = 2.56848564652214 | epot = -21.918164841109 | etot = -17.0130483991401 +361000 ekin = 2.42677922379501 | erot = 2.37500774993747 | epot = -21.8672713761358 | etot = -17.0654844024034 +362000 ekin = 2.4605364062408 | erot = 2.49590481611227 | epot = -21.7779995387161 | etot = -16.821558316363 +363000 ekin = 2.55310738370238 | erot = 2.17768318633134 | epot = -21.6776820779023 | etot = -16.9468915078686 +364000 ekin = 2.56780109725782 | erot = 2.16474191665872 | epot = -21.5533633280085 | etot = -16.820820314092 +365000 ekin = 2.59901975131891 | erot = 1.71409893021137 | epot = -21.4252112523553 | etot = -17.1120925708251 +366000 ekin = 2.80245009247375 | erot = 1.44048381506929 | epot = -21.3115965871059 | etot = -17.0686626795629 +367000 ekin = 2.85134090040929 | erot = 1.61253537083185 | epot = -21.2054965437889 | etot = -16.7416202725478 +368000 ekin = 3.00720175661763 | erot = 1.37649145802379 | epot = -21.1143147590192 | etot = -16.7306215443778 +369000 ekin = 3.02782850583648 | erot = 1.29964512201197 | epot = -21.0456750388441 | etot = -16.7182014109956 +370000 ekin = 2.96718136039117 | erot = 1.45830059090199 | epot = -20.9956751371928 | etot = -16.5701931858996 +371000 ekin = 2.97398053523901 | erot = 1.26453322843173 | epot = -20.9819115867117 | etot = -16.7433978230409 +372000 ekin = 2.93284410498009 | erot = 1.41224205422983 | epot = -20.990879656372 | etot = -16.6457934971621 +373000 ekin = 2.88790034010472 | erot = 1.42564554966123 | epot = -21.033892399397 | etot = -16.720346509631 +374000 ekin = 2.82344708085647 | erot = 1.62526123419929 | epot = -21.0946345683056 | etot = -16.6459262532498 +375000 ekin = 2.9048191689212 | erot = 1.74642067705861 | epot = -21.2008783966459 | etot = -16.5496385506661 +376000 ekin = 2.84134799892075 | erot = 1.8767542209254 | epot = -21.3649261105939 | etot = -16.6468238907477 +377000 ekin = 2.86364799078519 | erot = 1.9339338094908 | epot = -21.5406268140668 | etot = -16.7430450137908 +378000 ekin = 2.9048300489525 | erot = 2.17252781549638 | epot = -21.7155346442895 | etot = -16.6381767798406 +379000 ekin = 2.8865075586177 | erot = 1.96118442992092 | epot = -21.8538626049786 | etot = -17.00617061644 +380000 ekin = 2.88651329834493 | erot = 2.08410077478125 | epot = -21.9401095058158 | etot = -16.9694954326896 +381000 ekin = 2.84108364234509 | erot = 2.36602406894656 | epot = -21.9810439461896 | etot = -16.7739362348979 +382000 ekin = 2.65581712933844 | erot = 2.32549072457609 | epot = -21.9604472596471 | etot = -16.9791394057325 +383000 ekin = 2.66697103963134 | erot = 2.19715446258975 | epot = -21.8997743494524 | etot = -17.0356488472313 +384000 ekin = 2.71347175798932 | erot = 2.08604535797532 | epot = -21.8256490214724 | etot = -17.0261319055078 +385000 ekin = 2.5886627289133 | erot = 2.07169637253237 | epot = -21.7588277650259 | etot = -17.0984686635803 +386000 ekin = 2.61416908347419 | erot = 2.12402378221524 | epot = -21.7275890588648 | etot = -16.9893961931754 +387000 ekin = 2.70373372534934 | erot = 2.21149248908639 | epot = -21.7114203261747 | etot = -16.7961941117389 +388000 ekin = 2.74978383236821 | erot = 2.03622128721583 | epot = -21.7171286702607 | etot = -16.9311235506767 +389000 ekin = 2.7587615131327 | erot = 2.35914494269191 | epot = -21.7195350651328 | etot = -16.6016286093082 +390000 ekin = 2.87281151326102 | erot = 2.14919283772492 | epot = -21.7092098874033 | etot = -16.6872055364173 +391000 ekin = 2.88070946214061 | erot = 2.15553640701991 | epot = -21.7308938242004 | etot = -16.6946479550399 +392000 ekin = 2.85350413424044 | erot = 1.95551148082617 | epot = -21.7800211133376 | etot = -16.9710054982709 +393000 ekin = 2.90295298668572 | erot = 2.00031478831759 | epot = -21.8483879920449 | etot = -16.9451202170416 +394000 ekin = 2.87980364418051 | erot = 2.13854428764095 | epot = -21.927891035529 | etot = -16.9095431037075 +395000 ekin = 2.89980834808654 | erot = 2.27975081097515 | epot = -22.0016489908303 | etot = -16.8220898317686 +396000 ekin = 2.93605574834046 | erot = 2.28756221501388 | epot = -22.083719356273 | etot = -16.8601013929187 +397000 ekin = 2.80779171295695 | erot = 2.19257867663266 | epot = -22.1878285992743 | etot = -17.1874582096847 +398000 ekin = 2.65560496560027 | erot = 2.63286768292204 | epot = -22.2927014267366 | etot = -17.0042287782143 +399000 ekin = 2.70831299977891 | erot = 2.28957359120763 | epot = -22.4133968187074 | etot = -17.4155102277209 +400000 ekin = 2.62631472682176 | erot = 2.32258453004918 | epot = -22.5144474162178 | etot = -17.5655481593469 +401000 ekin = 2.61084599477578 | erot = 2.5915842232175 | epot = -22.6219132294945 | etot = -17.4194830115012 +402000 ekin = 2.635885903201 | erot = 2.77714471535857 | epot = -22.7264979351378 | etot = -17.3134673165782 +403000 ekin = 2.57124299169003 | erot = 2.91857224360661 | epot = -22.7998184812975 | etot = -17.3100032460009 +404000 ekin = 2.64669440558066 | erot = 2.93356467106672 | epot = -22.8394282855353 | etot = -17.2591692088879 +405000 ekin = 2.6313696260396 | erot = 3.04830494377478 | epot = -22.8811547071105 | etot = -17.2014801372961 +406000 ekin = 2.57687330940512 | erot = 2.89269043406033 | epot = -22.8904487120533 | etot = -17.4208849685879 +407000 ekin = 2.5618448960505 | erot = 3.08692656736122 | epot = -22.8853592595439 | etot = -17.2365877961322 +408000 ekin = 2.54127249851751 | erot = 3.17601770471241 | epot = -22.9006717760476 | etot = -17.1833815728177 +409000 ekin = 2.53459046783758 | erot = 3.13623300199209 | epot = -22.8968640693003 | etot = -17.2260405994706 +410000 ekin = 2.51587421571662 | erot = 3.14201699757377 | epot = -22.9150990085741 | etot = -17.2572077952837 +411000 ekin = 2.42964978573951 | erot = 3.32305144355791 | epot = -22.9501641087081 | etot = -17.1974628794107 +412000 ekin = 2.36687843567498 | erot = 3.3285504429599 | epot = -22.99567867119 | etot = -17.3002497925551 +413000 ekin = 2.32867643693125 | erot = 3.02147909460678 | epot = -23.0359443059234 | etot = -17.6857887743854 +414000 ekin = 2.2515260449447 | erot = 3.14866247342422 | epot = -23.0379850078343 | etot = -17.6377964894654 +415000 ekin = 2.14860234477144 | erot = 3.14281806599356 | epot = -23.016809711244 | etot = -17.725389300479 +416000 ekin = 2.1332775392394 | erot = 2.78190144921895 | epot = -22.9549412646377 | etot = -18.0397622761793 +417000 ekin = 2.07867029653693 | erot = 2.63891364632679 | epot = -22.8771697337526 | etot = -18.1595857908888 +418000 ekin = 2.01503497087452 | erot = 2.48786384280135 | epot = -22.7881812529124 | etot = -18.2852824392365 +419000 ekin = 1.93436445840309 | erot = 2.56473142390299 | epot = -22.7122209786171 | etot = -18.213125096311 +420000 ekin = 1.86691051962999 | erot = 2.37316247804238 | epot = -22.663644104836 | etot = -18.4235711071637 +421000 ekin = 1.86677256248723 | erot = 2.32313827929405 | epot = -22.6187875829574 | etot = -18.4288767411761 +422000 ekin = 1.82005824158071 | erot = 2.55465763559267 | epot = -22.5903542114936 | etot = -18.2156383343202 +423000 ekin = 1.85196925130395 | erot = 2.5974598823431 | epot = -22.5868190893394 | etot = -18.1373899556924 +424000 ekin = 1.87511106269006 | erot = 2.36649086179881 | epot = -22.5883508404772 | etot = -18.3467489159883 +425000 ekin = 1.85448962199763 | erot = 2.35912334554435 | epot = -22.5825697876888 | etot = -18.3689568201468 +426000 ekin = 1.93877126287049 | erot = 2.34047239554928 | epot = -22.5855644966028 | etot = -18.306320838183 +427000 ekin = 1.98667133586972 | erot = 2.21434059237477 | epot = -22.6165038624105 | etot = -18.415491934166 +428000 ekin = 2.06633462219149 | erot = 2.46308595042594 | epot = -22.6536305130782 | etot = -18.1242099404608 +429000 ekin = 2.06647569478185 | erot = 2.85029146170717 | epot = -22.6734202786045 | etot = -17.7566531221155 +430000 ekin = 2.02119030876775 | erot = 3.03581181604001 | epot = -22.659282107403 | etot = -17.6022799825952 +431000 ekin = 1.92940982496903 | erot = 3.12567479604236 | epot = -22.6051004098157 | etot = -17.5500157888043 +432000 ekin = 1.98926835887559 | erot = 2.96897634192419 | epot = -22.5090519549378 | etot = -17.550807254138 +433000 ekin = 2.041430732461 | erot = 2.85215225860737 | epot = -22.3406443583778 | etot = -17.4470613673094 +434000 ekin = 2.05565692829895 | erot = 2.95627927317659 | epot = -22.1000056035571 | etot = -17.0880694020816 +435000 ekin = 2.08432405496717 | erot = 2.68419048003212 | epot = -21.8308353279851 | etot = -17.0623207929858 +436000 ekin = 2.12772749840159 | erot = 2.84173548840799 | epot = -21.5604223141966 | etot = -16.590959327387 +437000 ekin = 2.04468233985782 | erot = 2.5189263616935 | epot = -21.3171953647823 | etot = -16.753586663231 +438000 ekin = 2.04330796733031 | erot = 2.25039837644757 | epot = -21.1104661155377 | etot = -16.8167597717598 +439000 ekin = 2.1303450962368 | erot = 2.34282002521748 | epot = -20.9455910272725 | etot = -16.4724259058182 +440000 ekin = 2.19070367254229 | erot = 2.15029144838879 | epot = -20.8316849257309 | etot = -16.4906898047998 +441000 ekin = 2.18523324344595 | erot = 2.14329639955517 | epot = -20.7742603417165 | etot = -16.4457306987154 +442000 ekin = 2.35525341099326 | erot = 2.33073585925591 | epot = -20.7921078012968 | etot = -16.1061185310476 +443000 ekin = 2.42381848947146 | erot = 2.29410897800866 | epot = -20.8510039080526 | etot = -16.1330764405725 +444000 ekin = 2.58327001521814 | erot = 2.25550403938057 | epot = -20.9496740359507 | etot = -16.110899981352 +445000 ekin = 2.74914318766584 | erot = 2.36474125562144 | epot = -21.0902773104286 | etot = -15.9763928671413 +446000 ekin = 2.75866465553884 | erot = 2.51903536478378 | epot = -21.2771375903937 | etot = -15.9994375700711 +447000 ekin = 2.81341929589966 | erot = 2.61543912233442 | epot = -21.4943223583146 | etot = -16.0654639400805 +448000 ekin = 2.98791449212417 | erot = 2.686015721345 | epot = -21.6882416455896 | etot = -16.0143114321204 +449000 ekin = 3.02989562281093 | erot = 2.59921391657433 | epot = -21.8625805167009 | etot = -16.2334709773157 +450000 ekin = 3.07584193389835 | erot = 2.74644112742619 | epot = -21.9977284145171 | etot = -16.1754453531925 +451000 ekin = 3.17325103223139 | erot = 2.71318685835069 | epot = -22.0826869675361 | etot = -16.196249076954 +452000 ekin = 3.26804429580737 | erot = 2.87778182303291 | epot = -22.0906838053162 | etot = -15.9448576864759 +453000 ekin = 3.27357354113497 | erot = 2.70771602218269 | epot = -22.0093450685523 | etot = -16.0280555052346 +454000 ekin = 3.19461395199204 | erot = 2.6448969266277 | epot = -21.8896212815607 | etot = -16.050110402941 +455000 ekin = 3.06934448991765 | erot = 2.52112023723169 | epot = -21.7581228733759 | etot = -16.1676581462266 +456000 ekin = 3.00870709873353 | erot = 2.69030125753182 | epot = -21.6192081822491 | etot = -15.9201998259837 +457000 ekin = 2.777216489817 | erot = 2.81809494379019 | epot = -21.5044838205097 | etot = -15.9091723869025 +458000 ekin = 2.72192779143847 | erot = 2.81327589913026 | epot = -21.3991411950549 | etot = -15.8639375044862 +459000 ekin = 2.66716160346718 | erot = 2.91218722489662 | epot = -21.3056824262501 | etot = -15.7263335978863 +460000 ekin = 2.61631308900554 | erot = 2.72088150404113 | epot = -21.2125642789399 | etot = -15.8753696858932 +461000 ekin = 2.52111486337713 | erot = 2.61083643510212 | epot = -21.1320849455669 | etot = -16.0001336470876 +462000 ekin = 2.35496729961921 | erot = 2.5358561099819 | epot = -21.0535223021746 | etot = -16.1626988925735 +463000 ekin = 2.24393433183191 | erot = 2.51761943073286 | epot = -21.0230425923878 | etot = -16.261488829823 +464000 ekin = 2.16264575625711 | erot = 2.67496242735613 | epot = -21.0323536551487 | etot = -16.1947454715355 +465000 ekin = 2.12337820037338 | erot = 2.82456556368798 | epot = -21.0880254572831 | etot = -16.1400816932217 +466000 ekin = 2.04496236125011 | erot = 2.74204868129277 | epot = -21.1490905898122 | etot = -16.3620795472694 +467000 ekin = 2.07076206458635 | erot = 2.74539024720616 | epot = -21.215024164528 | etot = -16.3988718527355 +468000 ekin = 2.08250457485183 | erot = 2.49401005885409 | epot = -21.2895135595468 | etot = -16.7129989258408 +469000 ekin = 2.11940107816922 | erot = 2.73165603901944 | epot = -21.3555553713497 | etot = -16.5044982541611 +470000 ekin = 2.2755450093077 | erot = 2.57556168280448 | epot = -21.4121284090538 | etot = -16.5610217169417 +471000 ekin = 2.2114984621346 | erot = 2.49207243095057 | epot = -21.435732052025 | etot = -16.7321611589398 +472000 ekin = 2.13757463851204 | erot = 2.31011730813802 | epot = -21.4380116997291 | etot = -16.9903197530791 +473000 ekin = 2.06821493877643 | erot = 2.2685003928258 | epot = -21.4114781960858 | etot = -17.0747628644836 +474000 ekin = 1.96490547218431 | erot = 2.35563819582065 | epot = -21.3522336688375 | etot = -17.0316900008326 +475000 ekin = 1.94558586419936 | erot = 2.10680745423891 | epot = -21.2548130597369 | etot = -17.2024197412986 +476000 ekin = 1.94190624501534 | erot = 2.16513825042928 | epot = -21.1595544689155 | etot = -17.0525099734709 +477000 ekin = 1.99924367094436 | erot = 1.80803378013926 | epot = -21.0628461625393 | etot = -17.2555687114557 +478000 ekin = 1.89989927585492 | erot = 1.77183940189901 | epot = -20.9920693922247 | etot = -17.3203307144707 +479000 ekin = 1.84520242098793 | erot = 1.66369715226462 | epot = -20.943197661135 | etot = -17.4342980878825 +480000 ekin = 1.78395227007313 | erot = 1.62380842244011 | epot = -20.9116440658478 | etot = -17.5038833733346 +481000 ekin = 1.80711393748116 | erot = 1.45108120724299 | epot = -20.899809195654 | etot = -17.6416140509299 +482000 ekin = 1.83485472728834 | erot = 1.5899131561371 | epot = -20.9502956349549 | etot = -17.5255277515294 +483000 ekin = 1.74714650944547 | erot = 2.06533056940213 | epot = -21.05982640294 | etot = -17.2473493240924 +484000 ekin = 1.80571868875142 | erot = 2.45785513658362 | epot = -21.2268132327391 | etot = -16.9632394074041 +485000 ekin = 1.97685842465677 | erot = 2.60360246547723 | epot = -21.4062901266649 | etot = -16.8258292365309 +486000 ekin = 2.06309847922673 | erot = 2.90380547812246 | epot = -21.5894655607388 | etot = -16.6225616033897 +487000 ekin = 2.19649216659984 | erot = 2.81883409927295 | epot = -21.7360008549514 | etot = -16.7206745890786 +488000 ekin = 2.27235435120755 | erot = 3.21078167833799 | epot = -21.8710028956708 | etot = -16.3878668661253 +489000 ekin = 2.36365916165255 | erot = 2.98148333833802 | epot = -21.9731809770869 | etot = -16.6280384770963 +490000 ekin = 2.46365572243186 | erot = 3.03413636977556 | epot = -22.0415730890945 | etot = -16.543780996887 +491000 ekin = 2.48043066028394 | erot = 2.95353817719133 | epot = -22.0882801530728 | etot = -16.6543113155975 +492000 ekin = 2.43187986853058 | erot = 2.81942197452495 | epot = -22.1316786946067 | etot = -16.8803768515512 +493000 ekin = 2.43297707751451 | erot = 3.13501618675347 | epot = -22.1516877815826 | etot = -16.5836945173146 +494000 ekin = 2.43547737006958 | erot = 3.22494383304223 | epot = -22.1277792873502 | etot = -16.4673580842384 +495000 ekin = 2.44131017621645 | erot = 3.14764944977832 | epot = -22.0798107226075 | etot = -16.4908510966128 +496000 ekin = 2.44929786442221 | erot = 3.00103698197415 | epot = -22.002928649246 | etot = -16.5525938028496 +497000 ekin = 2.42807342723594 | erot = 2.7881804132664 | epot = -21.8989958230253 | etot = -16.6827419825229 +498000 ekin = 2.43232675717284 | erot = 2.78563195522809 | epot = -21.7990677062023 | etot = -16.5811089938014 +499000 ekin = 2.39683774655034 | erot = 2.52204743265475 | epot = -21.6970829564491 | etot = -16.778197777244 +500000 ekin = 2.39561357168025 | erot = 2.04914490208484 | epot = -21.6057727183568 | etot = -17.1610142445917 +501000 ekin = 2.4901106222084 | erot = 2.09141321522318 | epot = -21.5560066661706 | etot = -16.974482828739 +502000 ekin = 2.50365744754327 | erot = 2.1042025483322 | epot = -21.5549657901232 | etot = -16.9471057942478 +503000 ekin = 2.50788240480081 | erot = 2.30709919674954 | epot = -21.6015443787755 | etot = -16.7865627772251 +504000 ekin = 2.42370070726384 | erot = 1.84999363757408 | epot = -21.6380109735021 | etot = -17.3643166286642 +505000 ekin = 2.3587483485555 | erot = 2.14636862503852 | epot = -21.6689774661088 | etot = -17.1638604925148 +506000 ekin = 2.26228062582653 | erot = 2.45377485636117 | epot = -21.7153954382909 | etot = -16.9993399561032 +507000 ekin = 2.1391923707717 | erot = 2.50319755000138 | epot = -21.7581761618772 | etot = -17.1157862411041 +508000 ekin = 2.1483137387407 | erot = 3.06092132482202 | epot = -21.7763037427611 | etot = -16.5670686791984 +509000 ekin = 2.05180259764866 | erot = 3.39029610338351 | epot = -21.776003585352 | etot = -16.3339048843198 +510000 ekin = 2.04381464635427 | erot = 3.61253858305487 | epot = -21.7386277737458 | etot = -16.0822745443367 +511000 ekin = 2.05816959569107 | erot = 3.10213651349288 | epot = -21.688362376805 | etot = -16.528056267621 +512000 ekin = 1.92422822548454 | erot = 2.79263854517701 | epot = -21.6550102347598 | etot = -16.9381434640982 +513000 ekin = 2.02050703596233 | erot = 2.71259548634818 | epot = -21.6549051178144 | etot = -16.9218025955039 +514000 ekin = 2.07581905977895 | erot = 2.32467594776646 | epot = -21.665556834217 | etot = -17.2650618266716 +515000 ekin = 2.08477825623465 | erot = 2.59404540183163 | epot = -21.7265307260922 | etot = -17.0477070680259 +516000 ekin = 2.15812359163707 | erot = 2.69267871008866 | epot = -21.8093937590764 | etot = -16.9585914573506 +517000 ekin = 2.13934962382492 | erot = 2.84365285719026 | epot = -21.9032983411399 | etot = -16.9202958601247 +518000 ekin = 2.20591925285861 | erot = 3.12936446615936 | epot = -22.0120787399678 | etot = -16.6767950209499 +519000 ekin = 2.26634159461382 | erot = 3.0946506489304 | epot = -22.1371864066205 | etot = -16.7761941630763 +520000 ekin = 2.33395232089105 | erot = 3.16707863806596 | epot = -22.2618368300492 | etot = -16.7608058710922 +521000 ekin = 2.37443913996477 | erot = 2.84321493552052 | epot = -22.3608681173461 | etot = -17.1432140418608 +522000 ekin = 2.38014534564467 | erot = 2.71344764130111 | epot = -22.4471285851319 | etot = -17.3535355981861 +523000 ekin = 2.43082426163835 | erot = 2.87118432179584 | epot = -22.5347499952681 | etot = -17.2327414118339 +524000 ekin = 2.56081842163126 | erot = 3.05550273097465 | epot = -22.6100687346061 | etot = -16.9937475820002 +525000 ekin = 2.55953271858514 | erot = 2.67513220891041 | epot = -22.6739874644368 | etot = -17.4393225369413 +526000 ekin = 2.59958209031031 | erot = 2.95738463024354 | epot = -22.7033728209711 | etot = -17.1464061004173 +527000 ekin = 2.52409384361615 | erot = 2.89851026515122 | epot = -22.7152196639491 | etot = -17.2926155551817 +528000 ekin = 2.57935349807703 | erot = 2.86931301300855 | epot = -22.7061100878871 | etot = -17.2574435768015 +529000 ekin = 2.5449913230182 | erot = 3.03033580941372 | epot = -22.6577883790845 | etot = -17.0824612466525 +530000 ekin = 2.37583920711566 | erot = 3.07767101681233 | epot = -22.5498147001086 | etot = -17.0963044761806 +531000 ekin = 2.28423424660452 | erot = 2.99538223189532 | epot = -22.4172244060317 | etot = -17.1376079275319 +532000 ekin = 2.11092802290005 | erot = 2.62650535715252 | epot = -22.2554156639849 | etot = -17.5179822839324 +533000 ekin = 2.07823067751695 | erot = 2.60462012944299 | epot = -22.0829115643991 | etot = -17.4000607574392 +534000 ekin = 2.08976309920292 | erot = 2.60045035336437 | epot = -21.9117889556573 | etot = -17.22157550309 +535000 ekin = 2.03320809614403 | erot = 2.53673993181143 | epot = -21.7263132935398 | etot = -17.1563652655844 +536000 ekin = 1.97106365765744 | erot = 2.35170112588154 | epot = -21.5718096441991 | etot = -17.2490448606601 +537000 ekin = 1.85757994043449 | erot = 2.1000939316012 | epot = -21.4673782965335 | etot = -17.5097044244978 +538000 ekin = 1.82596102898979 | erot = 2.13846192719758 | epot = -21.3983734318539 | etot = -17.4339504756666 +539000 ekin = 1.73881232516884 | erot = 2.4948493136433 | epot = -21.3425267679341 | etot = -17.1088651291219 +540000 ekin = 1.67447223010914 | erot = 2.77285924634614 | epot = -21.2716590544127 | etot = -16.8243275779574 +541000 ekin = 1.69990418580885 | erot = 2.88110182550538 | epot = -21.1962442587822 | etot = -16.6152382474679 +542000 ekin = 1.71113657497015 | erot = 2.75900359072979 | epot = -21.135597661667 | etot = -16.665457495967 +543000 ekin = 1.78866852977494 | erot = 2.71660471692161 | epot = -21.0866732693148 | etot = -16.5814000226182 +544000 ekin = 1.771817820198 | erot = 2.328771769428 | epot = -21.0413457588288 | etot = -16.9407561692028 +545000 ekin = 1.78667793391233 | erot = 2.11448637898458 | epot = -21.0004042884447 | etot = -17.0992399755478 +546000 ekin = 1.85376909065284 | erot = 1.89612518110719 | epot = -20.9731062289195 | etot = -17.2232119571595 +547000 ekin = 1.886076238392 | erot = 1.67123255058042 | epot = -20.9706093546508 | etot = -17.4133005656784 +548000 ekin = 1.90991638455373 | erot = 1.7881548999802 | epot = -20.9683934987346 | etot = -17.2703222142007 +549000 ekin = 1.93154736700912 | erot = 1.83109029837931 | epot = -20.9876899630373 | etot = -17.2250522976488 +550000 ekin = 1.99815580980597 | erot = 1.56054958425493 | epot = -21.036004232095 | etot = -17.4772988380341 +551000 ekin = 2.06223281194829 | erot = 1.82140531055443 | epot = -21.1099793159587 | etot = -17.226341193456 +552000 ekin = 2.19995559126056 | erot = 1.93328987912288 | epot = -21.1805106953385 | etot = -17.0472652249551 +553000 ekin = 2.16476612655581 | erot = 2.18848299832349 | epot = -21.2339007238634 | etot = -16.8806515989841 +554000 ekin = 2.1925339580923 | erot = 1.9926960214726 | epot = -21.3216202633258 | etot = -17.1363902837609 +555000 ekin = 2.30423346281122 | erot = 1.75126691279995 | epot = -21.4340368938537 | etot = -17.3785365182425 +556000 ekin = 2.4521267330114 | erot = 2.39109930640514 | epot = -21.572517213343 | etot = -16.7292911739264 +557000 ekin = 2.55511582943875 | erot = 2.60632466872853 | epot = -21.7241981903429 | etot = -16.5627576921756 +558000 ekin = 2.67318624692359 | erot = 2.43046608162001 | epot = -21.8811108747484 | etot = -16.7774585462048 +559000 ekin = 2.79102973560867 | erot = 2.67538733153578 | epot = -22.0378553874463 | etot = -16.5714383203018 +560000 ekin = 2.91837921581139 | erot = 2.68572428538372 | epot = -22.1492797858917 | etot = -16.5451762846966 +561000 ekin = 2.8169246804767 | erot = 2.7042344490094 | epot = -22.2164872193212 | etot = -16.6953280898351 +562000 ekin = 2.76503975841354 | erot = 2.53761848613797 | epot = -22.2442970633444 | etot = -16.9416388187929 +563000 ekin = 2.65825040724929 | erot = 2.71023439088386 | epot = -22.2432218230981 | etot = -16.874737024965 +564000 ekin = 2.64808423454385 | erot = 2.70315330750784 | epot = -22.2101649946189 | etot = -16.8589274525672 +565000 ekin = 2.56520347515975 | erot = 2.51222337320417 | epot = -22.1609166692031 | etot = -17.0834898208392 +566000 ekin = 2.49797853328337 | erot = 1.95572936802194 | epot = -22.1122925054573 | etot = -17.658584604152 +567000 ekin = 2.54792607074976 | erot = 1.85729033385369 | epot = -22.0797419433041 | etot = -17.6745255387006 +568000 ekin = 2.60591444007222 | erot = 1.83755900710613 | epot = -22.0644073196278 | etot = -17.6209338724494 +569000 ekin = 2.62362305667833 | erot = 2.09101698674231 | epot = -22.0262950849356 | etot = -17.311655041515 +570000 ekin = 2.59966130338347 | erot = 1.85283577890403 | epot = -21.985297677289 | etot = -17.5328005950015 +571000 ekin = 2.57696065480343 | erot = 2.10053443453256 | epot = -21.9714910967205 | etot = -17.2939960073845 +572000 ekin = 2.61992211526347 | erot = 2.35929604367208 | epot = -21.9659339101479 | etot = -16.9867157512124 +573000 ekin = 2.80765379250771 | erot = 2.64066236878635 | epot = -21.9992362601246 | etot = -16.5509200988305 +574000 ekin = 2.77886407527625 | erot = 2.38672398638091 | epot = -22.0653999532897 | etot = -16.8998118916326 +575000 ekin = 2.68662185812333 | erot = 2.33286464853928 | epot = -22.1404382955657 | etot = -17.120951788903 +576000 ekin = 2.71580008212167 | erot = 2.47248086928729 | epot = -22.2173146829084 | etot = -17.0290337314995 +577000 ekin = 2.73021589278203 | erot = 2.52068341312493 | epot = -22.2907564203179 | etot = -17.039857114411 +578000 ekin = 2.73054357573046 | erot = 2.5578495344155 | epot = -22.3560478485196 | etot = -17.0676547383736 +579000 ekin = 2.66821624836613 | erot = 2.41812757787236 | epot = -22.394402599384 | etot = -17.3080587731455 +580000 ekin = 2.67666651362018 | erot = 2.37337561149719 | epot = -22.3970390424453 | etot = -17.3469969173279 +581000 ekin = 2.50777332809667 | erot = 2.18045458374889 | epot = -22.3739113390241 | etot = -17.6856834271785 +582000 ekin = 2.40279105319001 | erot = 1.89859122534145 | epot = -22.3216073421066 | etot = -18.0202250635751 +583000 ekin = 2.31269263220222 | erot = 1.73074513088258 | epot = -22.257314045486 | etot = -18.2138762824012 +584000 ekin = 2.21239433549828 | erot = 1.75290221167374 | epot = -22.211114941138 | etot = -18.2458183939659 +585000 ekin = 2.15356855038405 | erot = 1.75180079977004 | epot = -22.2293562414396 | etot = -18.3239868912855 +586000 ekin = 2.10262413842075 | erot = 1.85113983993486 | epot = -22.2792098403942 | etot = -18.3254458620385 +587000 ekin = 2.1328837446892 | erot = 2.20890667221829 | epot = -22.3055082909198 | etot = -17.9637178740123 +588000 ekin = 2.14862689118427 | erot = 2.25138259269008 | epot = -22.2976262267024 | etot = -17.897616742828 +589000 ekin = 2.04435421027949 | erot = 2.19255127415941 | epot = -22.2575972691442 | etot = -18.0206917847053 +590000 ekin = 1.97499579796044 | erot = 2.1895582195425 | epot = -22.1946880982505 | etot = -18.0301340807476 +591000 ekin = 1.91372986676128 | erot = 2.00143608804063 | epot = -22.0969708781093 | etot = -18.1818049233073 +592000 ekin = 1.90759584087362 | erot = 1.75955547353167 | epot = -22.0003759984148 | etot = -18.3332246840095 +593000 ekin = 1.85491418079581 | erot = 1.82471441354141 | epot = -21.8971191196309 | etot = -18.2174905252937 +594000 ekin = 1.80279616325959 | erot = 1.89197043010806 | epot = -21.7918103226285 | etot = -18.0970437292608 +595000 ekin = 1.73140057218513 | erot = 1.88940188632514 | epot = -21.6714819005038 | etot = -18.0506794419936 +596000 ekin = 1.6636273955706 | erot = 2.08459374164565 | epot = -21.5484728514096 | etot = -17.8002517141934 +597000 ekin = 1.58837419642041 | erot = 2.25218931046814 | epot = -21.4300614484278 | etot = -17.5894979415393 +598000 ekin = 1.51530311364938 | erot = 2.10564447814212 | epot = -21.3454884805704 | etot = -17.7245408887789 +599000 ekin = 1.51205618459752 | erot = 2.59561573346752 | epot = -21.3001794349524 | etot = -17.1925075168874 +600000 ekin = 1.42420860787909 | erot = 2.66872977571287 | epot = -21.2831261175817 | etot = -17.1901877339898 +601000 ekin = 1.41614052584447 | erot = 2.71409841098224 | epot = -21.2819425817425 | etot = -17.1517036449157 +602000 ekin = 1.39716919100079 | erot = 2.88098133874153 | epot = -21.2738817162048 | etot = -16.9957311864625 +603000 ekin = 1.35362959397666 | erot = 2.47699104027353 | epot = -21.2686606294815 | etot = -17.4380399952313 +604000 ekin = 1.30109941785272 | erot = 2.37915588297089 | epot = -21.2782162294336 | etot = -17.59796092861 +605000 ekin = 1.3347410210722 | erot = 2.45818083278446 | epot = -21.3160026412592 | etot = -17.5230807874025 +606000 ekin = 1.29920725195346 | erot = 2.42086336903906 | epot = -21.37519294939 | etot = -17.6551223283975 +607000 ekin = 1.23411371002999 | erot = 2.51322970316879 | epot = -21.4519931649175 | etot = -17.7046497517188 +608000 ekin = 1.22186321044635 | erot = 2.53110415552155 | epot = -21.5178918639268 | etot = -17.7649244979589 +609000 ekin = 1.29545020421392 | erot = 2.63039876861633 | epot = -21.5664820555049 | etot = -17.6406330826747 +610000 ekin = 1.32833269788873 | erot = 2.69742481429448 | epot = -21.604275256766 | etot = -17.5785177445827 +611000 ekin = 1.37555485576576 | erot = 2.44250786358899 | epot = -21.6325158720195 | etot = -17.8144531526648 +612000 ekin = 1.43492266332439 | erot = 2.48338158304047 | epot = -21.6301768868763 | etot = -17.7118726405114 +613000 ekin = 1.45874940730883 | erot = 2.24888080699426 | epot = -21.6206823260937 | etot = -17.9130521117906 +614000 ekin = 1.55936377690317 | erot = 2.20987492911095 | epot = -21.5983529263254 | etot = -17.8291142203113 +615000 ekin = 1.65618793567238 | erot = 2.06571861106615 | epot = -21.5839674847175 | etot = -17.862060937979 +616000 ekin = 1.69323202132164 | erot = 2.42079239195229 | epot = -21.5767246732261 | etot = -17.4627002599521 +617000 ekin = 1.68010177617037 | erot = 2.37299975949536 | epot = -21.5796207721185 | etot = -17.5265192364528 +618000 ekin = 1.8246344502958 | erot = 2.21376210856673 | epot = -21.5858855133924 | etot = -17.5474889545299 +619000 ekin = 1.82457061205233 | erot = 2.13717697103627 | epot = -21.6086012174157 | etot = -17.6468536343271 +620000 ekin = 1.90243298129573 | erot = 2.026399287695 | epot = -21.6453403015338 | etot = -17.7165080325431 +621000 ekin = 2.00071054813254 | erot = 2.00740169333747 | epot = -21.6932983622006 | etot = -17.6851861207306 +622000 ekin = 2.06294983283443 | erot = 2.33338027747368 | epot = -21.7476105458916 | etot = -17.3512804355835 +623000 ekin = 2.16886474013731 | erot = 2.34052136367693 | epot = -21.8030581053771 | etot = -17.2936720015629 +624000 ekin = 2.27472643943831 | erot = 2.06709867004516 | epot = -21.8339575931657 | etot = -17.4921324836822 +625000 ekin = 2.44743468020715 | erot = 1.92194449605363 | epot = -21.8528539423024 | etot = -17.4834747660416 +626000 ekin = 2.6254852196301 | erot = 1.8914549992757 | epot = -21.8798709040079 | etot = -17.3629306851021 +627000 ekin = 2.68150434400722 | erot = 2.08428883327615 | epot = -21.9107134797374 | etot = -17.144920302454 +628000 ekin = 2.74903675678166 | erot = 1.99441751232837 | epot = -21.9473456387968 | etot = -17.2038913696868 +629000 ekin = 2.86146526790837 | erot = 1.8864966665127 | epot = -21.9845526009202 | etot = -17.2365906664991 +630000 ekin = 2.97219747359881 | erot = 1.94159826713974 | epot = -21.9956245597366 | etot = -17.081828818998 +631000 ekin = 3.02655709138913 | erot = 1.98612431447029 | epot = -21.9867324807645 | etot = -16.9740510749051 +632000 ekin = 2.8924282396145 | erot = 2.07813215947684 | epot = -21.9871217882292 | etot = -17.0165613891379 +633000 ekin = 2.89559354592024 | erot = 2.04782477805557 | epot = -21.9766614082672 | etot = -17.0332430842914 +634000 ekin = 2.83247679377603 | erot = 2.13051755362208 | epot = -21.9597388170748 | etot = -16.9967444696767 +635000 ekin = 2.6371007480047 | erot = 2.23426349035981 | epot = -21.971527434846 | etot = -17.1001631964814 +636000 ekin = 2.58412863450127 | erot = 2.48166310505742 | epot = -21.9758376025014 | etot = -16.9100458629427 +637000 ekin = 2.48413021154078 | erot = 3.05163678747107 | epot = -21.9559270975231 | etot = -16.4201600985112 +638000 ekin = 2.41845843253134 | erot = 3.18487359706622 | epot = -21.921818269157 | etot = -16.3184862395595 +639000 ekin = 2.41474442996945 | erot = 3.07946799577763 | epot = -21.8601538104442 | etot = -16.3659413846971 +640000 ekin = 2.43888704755713 | erot = 3.19916726587331 | epot = -21.7732605714474 | etot = -16.135206258017 +641000 ekin = 2.33318464269015 | erot = 3.52964988306914 | epot = -21.6751385521693 | etot = -15.81230402641 +642000 ekin = 2.2926912747172 | erot = 3.21459747812075 | epot = -21.5762475219887 | etot = -16.0689587691507 +643000 ekin = 2.20009271503132 | erot = 3.27121474420525 | epot = -21.4712567460617 | etot = -15.9999492868251 +644000 ekin = 2.12761393014547 | erot = 3.26891111731317 | epot = -21.348362707749 | etot = -15.9518376602904 +645000 ekin = 2.1428335991833 | erot = 3.15969008283743 | epot = -21.21325186576 | etot = -15.9107281837392 +646000 ekin = 2.06396314958894 | erot = 3.09371999472776 | epot = -21.1127434027894 | etot = -15.9550602584727 +647000 ekin = 2.09494506010988 | erot = 3.01853693183369 | epot = -21.0393545332666 | etot = -15.9258725413231 +648000 ekin = 2.04196638106962 | erot = 2.92354702002768 | epot = -20.9985594175433 | etot = -16.033046016446 +649000 ekin = 2.12312778485914 | erot = 2.76395475216344 | epot = -20.9701414537499 | etot = -16.0830589167274 +650000 ekin = 2.10015809243646 | erot = 2.49008137666262 | epot = -20.9856777615308 | etot = -16.3954382924317 +651000 ekin = 2.17042975668805 | erot = 2.82094735385292 | epot = -21.0172459830267 | etot = -16.0258688724858 +652000 ekin = 2.09384051310296 | erot = 2.85582968797887 | epot = -21.0193054655962 | etot = -16.0696352645143 +653000 ekin = 2.04333185286127 | erot = 2.77890783040049 | epot = -21.0137769463722 | etot = -16.1915372631104 +654000 ekin = 2.08939824491349 | erot = 2.64655974106821 | epot = -20.9895202496129 | etot = -16.2535622636312 +655000 ekin = 2.04966047424328 | erot = 2.69502096883432 | epot = -20.9377501246668 | etot = -16.1930686815892 +656000 ekin = 2.01275055755579 | erot = 2.79546881312587 | epot = -20.8915125736507 | etot = -16.083293202969 +657000 ekin = 2.03431712569043 | erot = 2.53773887631586 | epot = -20.8578047692326 | etot = -16.2857487672263 +658000 ekin = 2.06735385767747 | erot = 2.66675755014667 | epot = -20.8663643114328 | etot = -16.1322529036087 +659000 ekin = 2.06847583306533 | erot = 2.50326478566329 | epot = -20.8825165023757 | etot = -16.3107758836471 +660000 ekin = 2.07870932959752 | erot = 2.81447557231157 | epot = -20.9216042516452 | etot = -16.0284193497362 +661000 ekin = 2.19772022528447 | erot = 2.70676732599835 | epot = -20.955272489222 | etot = -16.0507849379392 +662000 ekin = 2.25232628384317 | erot = 2.75397596508144 | epot = -20.9799482828299 | etot = -15.9736460339053 +663000 ekin = 2.34038951099398 | erot = 2.814307507525 | epot = -21.0068651854295 | etot = -15.8521681669105 +664000 ekin = 2.44930976235149 | erot = 2.91832446463439 | epot = -21.020924392121 | etot = -15.6532901651351 +665000 ekin = 2.62422537382047 | erot = 3.05929629192827 | epot = -21.0148549044024 | etot = -15.3313332386536 +666000 ekin = 2.670006078315 | erot = 3.11170707620248 | epot = -20.9818079036879 | etot = -15.2000947491704 +667000 ekin = 2.64691465550483 | erot = 2.74197391498727 | epot = -20.9087124741422 | etot = -15.5198239036501 +668000 ekin = 2.62658511176402 | erot = 2.5239543546275 | epot = -20.786299632355 | etot = -15.6357601659635 +669000 ekin = 2.54613084896548 | erot = 2.35938084584039 | epot = -20.6443137124917 | etot = -15.7388020176858 +670000 ekin = 2.43931260869762 | erot = 2.38690789091417 | epot = -20.4714500069448 | etot = -15.645229507333 +671000 ekin = 2.36289981273298 | erot = 2.15959347634289 | epot = -20.2658276701857 | etot = -15.7433343811098 +672000 ekin = 2.2910602274596 | erot = 2.06640999933982 | epot = -20.0256672427834 | etot = -15.668197015984 +673000 ekin = 2.10231422621812 | erot = 1.99818617792713 | epot = -19.7891832406039 | etot = -15.6886828364586 +674000 ekin = 1.99734939649369 | erot = 1.85664304782892 | epot = -19.5650277424005 | etot = -15.7110352980778 +675000 ekin = 1.90857669053491 | erot = 1.65889203440098 | epot = -19.3811887348938 | etot = -15.8137200099579 +676000 ekin = 1.77298099338034 | erot = 1.8309437616018 | epot = -19.2510356435177 | etot = -15.6471108885356 +677000 ekin = 1.63736904978552 | erot = 1.99281479568144 | epot = -19.1448234704454 | etot = -15.5146396249784 +678000 ekin = 1.63864208730505 | erot = 2.08161035578974 | epot = -19.105500688407 | etot = -15.3852482453122 +679000 ekin = 1.55282751541948 | erot = 2.3521751505239 | epot = -19.1160594043128 | etot = -15.2110567383695 +680000 ekin = 1.55994958081089 | erot = 2.58133264049645 | epot = -19.1875667436083 | etot = -15.046284522301 +681000 ekin = 1.47247027591437 | erot = 2.65144156511845 | epot = -19.2708019300319 | etot = -15.1468900889991 +682000 ekin = 1.50506312913083 | erot = 2.58308917381129 | epot = -19.3768551123297 | etot = -15.2887028093876 +683000 ekin = 1.58124836058812 | erot = 2.16095218887994 | epot = -19.4911476852349 | etot = -15.7489471357668 +684000 ekin = 1.6001005959995 | erot = 2.67440743177637 | epot = -19.618133888318 | etot = -15.3436258605422 +685000 ekin = 1.74893549928147 | erot = 2.62458073477927 | epot = -19.7359660896817 | etot = -15.362449855621 +686000 ekin = 1.76162153341699 | erot = 2.25978530691164 | epot = -19.8541116154889 | etot = -15.8327047751602 +687000 ekin = 1.82619229946423 | erot = 2.29432044590917 | epot = -19.9622292318958 | etot = -15.8417164865223 +688000 ekin = 1.86359828413827 | erot = 2.16944371769534 | epot = -20.0476865748907 | etot = -16.0146445730571 +689000 ekin = 1.93393905859018 | erot = 2.35498206852836 | epot = -20.1007195797119 | etot = -15.8117984525933 +690000 ekin = 1.97584813479881 | erot = 2.24522756497958 | epot = -20.1288568750709 | etot = -15.9077811752926 +691000 ekin = 1.98048868486336 | erot = 2.14627975778126 | epot = -20.1381110985218 | etot = -16.0113426558772 +692000 ekin = 2.0731346001912 | erot = 1.98008848193517 | epot = -20.1378652364587 | etot = -16.0846421543323 +693000 ekin = 2.19190306917297 | erot = 1.58910242480145 | epot = -20.1350957523462 | etot = -16.3540902583718 +694000 ekin = 2.32090880384981 | erot = 1.6129592713478 | epot = -20.1314162689182 | etot = -16.1975481937205 +695000 ekin = 2.36874640002701 | erot = 1.5905606666644 | epot = -20.1380145179375 | etot = -16.1787074512461 +696000 ekin = 2.44650937280252 | erot = 1.81535925455503 | epot = -20.1652369679559 | etot = -15.9033683405983 +697000 ekin = 2.51545709816397 | erot = 1.68826010240628 | epot = -20.2135933592969 | etot = -16.0098761587266 +698000 ekin = 2.62928708586045 | erot = 1.96628199836588 | epot = -20.2928804390009 | etot = -15.6973113547745 +699000 ekin = 2.71719696170839 | erot = 2.26885524041435 | epot = -20.3980545329771 | etot = -15.4120023308544 +700000 ekin = 2.87208259001985 | erot = 2.42835298004882 | epot = -20.5178291857201 | etot = -15.2173936156514 +701000 ekin = 2.95900259417971 | erot = 2.35931389631808 | epot = -20.6419240268719 | etot = -15.3236075363741 +702000 ekin = 3.02090269085953 | erot = 2.15074914986724 | epot = -20.7704027073332 | etot = -15.5987508666064 +703000 ekin = 2.97785017762568 | erot = 2.21426045315884 | epot = -20.8971176595459 | etot = -15.7050070287614 +704000 ekin = 2.95736377946593 | erot = 2.20998660273298 | epot = -21.0054958631779 | etot = -15.838145480979 +705000 ekin = 2.86750561874265 | erot = 2.27820994963735 | epot = -21.0805981580118 | etot = -15.9348825896318 +706000 ekin = 2.78753231022251 | erot = 2.27865200108248 | epot = -21.1291811901213 | etot = -16.0629968788163 +707000 ekin = 2.82215447573998 | erot = 2.35221981249519 | epot = -21.1609961465472 | etot = -15.986621858312 +708000 ekin = 2.8288482381589 | erot = 2.35861511414917 | epot = -21.1686473578695 | etot = -15.9811840055614 +709000 ekin = 2.83366981826097 | erot = 2.36573692196813 | epot = -21.1360090124629 | etot = -15.9366022722338 +710000 ekin = 2.82063152616624 | erot = 2.46614987505496 | epot = -21.0841357904475 | etot = -15.7973543892263 +711000 ekin = 2.86012277832299 | erot = 2.45669685378256 | epot = -21.0284124029736 | etot = -15.711592770868 +712000 ekin = 2.83900632279951 | erot = 2.58641728570259 | epot = -20.97749537454 | etot = -15.5520717660379 +713000 ekin = 2.81285265683929 | erot = 2.77009227835436 | epot = -20.9479708753276 | etot = -15.365025940134 +714000 ekin = 2.79476769474608 | erot = 2.56608145300981 | epot = -20.9660227808497 | etot = -15.6051736330938 +715000 ekin = 2.88214044419436 | erot = 2.35359704421306 | epot = -21.0023890888555 | etot = -15.7666516004481 +716000 ekin = 2.8062444107519 | erot = 2.44602402366658 | epot = -21.0643399300769 | etot = -15.8120714956584 +717000 ekin = 2.83593496475333 | erot = 1.92271233473007 | epot = -21.141933904549 | etot = -16.3832866050656 +718000 ekin = 3.04347220736712 | erot = 2.09664480466605 | epot = -21.2307953497141 | etot = -16.090678337681 +719000 ekin = 3.12566385858511 | erot = 1.94969815384627 | epot = -21.3369127599911 | etot = -16.2615507475597 +720000 ekin = 3.09860713118126 | erot = 1.90387725838931 | epot = -21.430943204698 | etot = -16.4284588151275 +721000 ekin = 3.12993031147987 | erot = 1.7597447170846 | epot = -21.4934147835513 | etot = -16.6037397549868 +722000 ekin = 3.20199415669046 | erot = 1.70619449649563 | epot = -21.5365621621188 | etot = -16.6283735089327 +723000 ekin = 3.23996165272215 | erot = 1.89914229033929 | epot = -21.5885170205204 | etot = -16.4494130774589 +724000 ekin = 3.2385304661127 | erot = 2.03882621849399 | epot = -21.6296558315724 | etot = -16.3522991469657 +725000 ekin = 3.28185949262493 | erot = 2.37030663171847 | epot = -21.6824484616656 | etot = -16.0302823373222 +726000 ekin = 3.25580607632264 | erot = 2.39086109621883 | epot = -21.7177565383547 | etot = -16.0710893658133 +727000 ekin = 3.19805228999072 | erot = 2.32087178780789 | epot = -21.7371075347428 | etot = -16.2181834569442 +728000 ekin = 3.15990197080524 | erot = 2.25349819703034 | epot = -21.7242195216867 | etot = -16.3108193538511 +729000 ekin = 3.15676540241598 | erot = 2.43628064604805 | epot = -21.6874540329232 | etot = -16.0944079844592 +730000 ekin = 3.09116846008209 | erot = 2.25419507427884 | epot = -21.6463691748075 | etot = -16.3010056404465 +731000 ekin = 3.1348260525846 | erot = 2.37233499175367 | epot = -21.6178854848966 | etot = -16.1107244405583 +732000 ekin = 2.99746260909862 | erot = 2.05794797450074 | epot = -21.6100718510651 | etot = -16.5546612674658 +733000 ekin = 2.96980729498646 | erot = 2.41656769534009 | epot = -21.6212858194831 | etot = -16.2349108291565 +734000 ekin = 2.95805172881307 | erot = 2.41106090290961 | epot = -21.6442325736449 | etot = -16.2751199419222 +735000 ekin = 2.98912645607776 | erot = 2.56433748906623 | epot = -21.6552350758769 | etot = -16.1017711307329 +736000 ekin = 2.98402840956578 | erot = 2.50919943020236 | epot = -21.6382057820196 | etot = -16.1449779422515 +737000 ekin = 2.93444255324219 | erot = 2.46509691619754 | epot = -21.6069075472111 | etot = -16.2073680777713 +738000 ekin = 2.92304716734076 | erot = 2.39086826460992 | epot = -21.5785523296152 | etot = -16.2646368976646 +739000 ekin = 2.87558559566524 | erot = 2.33418319756002 | epot = -21.5767003124474 | etot = -16.3669315192221 +740000 ekin = 2.83334180172276 | erot = 1.96595420169352 | epot = -21.579060146737 | etot = -16.7797641433207 +741000 ekin = 2.90514747722426 | erot = 1.90064280259662 | epot = -21.5882717938202 | etot = -16.7824815139993 +742000 ekin = 2.94949674447586 | erot = 2.10481207661777 | epot = -21.607358114224 | etot = -16.5530492931304 +743000 ekin = 3.04809185048082 | erot = 2.29122955891096 | epot = -21.6217844205865 | etot = -16.2824630111948 +744000 ekin = 2.98636530702456 | erot = 2.18551221916275 | epot = -21.6006673772001 | etot = -16.4287898510128 +745000 ekin = 2.92324621087502 | erot = 2.67370319519931 | epot = -21.5479250866163 | etot = -15.950975680542 +746000 ekin = 2.81108840832447 | erot = 2.60039332109184 | epot = -21.4880495112522 | etot = -16.0765677818358 +747000 ekin = 2.6799138273957 | erot = 2.55252994490126 | epot = -21.4304230755331 | etot = -16.1979793032361 +748000 ekin = 2.53045428101834 | erot = 2.24950736294004 | epot = -21.3737230667369 | etot = -16.5937614227785 +749000 ekin = 2.4521893183736 | erot = 2.14663919598135 | epot = -21.3068166295668 | etot = -16.7079881152118 +750000 ekin = 2.43997409031359 | erot = 2.12137765598021 | epot = -21.26051392318 | etot = -16.6991621768862 +751000 ekin = 2.39722500832643 | erot = 1.84714049259476 | epot = -21.2245204548724 | etot = -16.9801549539512 +752000 ekin = 2.37942582094566 | erot = 1.94578907645433 | epot = -21.2018614145329 | etot = -16.8766465171329 +753000 ekin = 2.28406990648588 | erot = 2.19722525584574 | epot = -21.2075024607032 | etot = -16.7262072983716 +754000 ekin = 2.17408286982644 | erot = 2.09839079215022 | epot = -21.2133775747234 | etot = -16.9409039127468 +755000 ekin = 2.20136426888662 | erot = 2.24067079579293 | epot = -21.2335060459114 | etot = -16.7914709812319 +756000 ekin = 2.12844260913138 | erot = 2.75005545693611 | epot = -21.2581599852214 | etot = -16.3796619191539 +757000 ekin = 2.25743819675586 | erot = 2.52018349756299 | epot = -21.2980084121415 | etot = -16.5203867178226 +758000 ekin = 2.27601870393368 | erot = 2.57559214660628 | epot = -21.3386893542485 | etot = -16.4870785037085 +759000 ekin = 2.36164379748138 | erot = 2.34149147167507 | epot = -21.3861537164028 | etot = -16.6830184472464 +760000 ekin = 2.4675118177957 | erot = 2.29440108117585 | epot = -21.4502954100435 | etot = -16.6883825110719 +761000 ekin = 2.56117979243443 | erot = 2.28528133130907 | epot = -21.5440902713626 | etot = -16.6976291476191 +762000 ekin = 2.73403817269047 | erot = 2.05037676089399 | epot = -21.665528468236 | etot = -16.8811135346516 +763000 ekin = 2.89028863279996 | erot = 1.96997057412352 | epot = -21.7985105959424 | etot = -16.9382513890189 +764000 ekin = 3.07961097460984 | erot = 1.9033768651762 | epot = -21.9231959994996 | etot = -16.9402081597136 +765000 ekin = 3.10823123780416 | erot = 1.87663540264838 | epot = -22.0019892323021 | etot = -17.0171225918495 +766000 ekin = 3.06909048295609 | erot = 2.19611166095393 | epot = -22.0456827970012 | etot = -16.7804806530912 +767000 ekin = 2.95314668625034 | erot = 2.25238187251554 | epot = -22.0265415483726 | etot = -16.8210129896067 +768000 ekin = 2.82146820632443 | erot = 2.14933629194817 | epot = -21.972991691349 | etot = -17.0021871930764 +769000 ekin = 2.77603784529003 | erot = 1.90506312419755 | epot = -21.892293283993 | etot = -17.2111923145055 +770000 ekin = 2.78938661934819 | erot = 1.68105737595234 | epot = -21.7998635345682 | etot = -17.3294195392676 +771000 ekin = 2.69423677840458 | erot = 1.66016415121773 | epot = -21.7233415289997 | etot = -17.3689405993774 +772000 ekin = 2.47513570113057 | erot = 1.55323249560254 | epot = -21.6442608053664 | etot = -17.6158926086333 +773000 ekin = 2.31141180852051 | erot = 1.52117713523274 | epot = -21.5669030975226 | etot = -17.7343141537694 +774000 ekin = 2.17520959919755 | erot = 1.42853024205624 | epot = -21.5199609482922 | etot = -17.9162211070385 +775000 ekin = 2.04944703670502 | erot = 1.48494648755655 | epot = -21.5280933272633 | etot = -17.9936998030017 +776000 ekin = 1.92108310791782 | erot = 1.66205812928437 | epot = -21.5590874070445 | etot = -17.9759461698423 +777000 ekin = 1.71219857932836 | erot = 1.81255070842961 | epot = -21.5756405048094 | etot = -18.0508912170514 +778000 ekin = 1.64975190369177 | erot = 1.77693127539907 | epot = -21.6017623261212 | etot = -18.1750791470304 +779000 ekin = 1.48106773483772 | erot = 1.73996737730562 | epot = -21.6271500213885 | etot = -18.4061149092452 +780000 ekin = 1.42115475189735 | erot = 1.92486733092795 | epot = -21.6544636605774 | etot = -18.3084415777521 +781000 ekin = 1.45929388158725 | erot = 2.37782097649977 | epot = -21.6537823170126 | etot = -17.8166674589255 +782000 ekin = 1.41005089049893 | erot = 2.64330507296433 | epot = -21.6242214819641 | etot = -17.5708655185008 +783000 ekin = 1.48665806788307 | erot = 2.25515514589752 | epot = -21.6087091715109 | etot = -17.8668959577303 +784000 ekin = 1.51747380423224 | erot = 1.88850072498605 | epot = -21.5108011603788 | etot = -18.1048266311605 +785000 ekin = 1.54947682048194 | erot = 1.86706119579432 | epot = -21.3875221209808 | etot = -17.9709841047046 +786000 ekin = 1.54716158992325 | erot = 1.85630977678452 | epot = -21.2539376526395 | etot = -17.8504662859317 +787000 ekin = 1.62670511458602 | erot = 1.68010954051122 | epot = -21.1236984428158 | etot = -17.8168837877186 +788000 ekin = 1.71061295763304 | erot = 1.48079461940059 | epot = -21.0260161605701 | etot = -17.8346085835365 +789000 ekin = 1.75916840317546 | erot = 1.50945935318409 | epot = -21.0009620101452 | etot = -17.7323342537856 +790000 ekin = 1.81745672714458 | erot = 1.42634706359404 | epot = -20.9943086861146 | etot = -17.750504895376 +791000 ekin = 1.94362771134114 | erot = 1.56573593007329 | epot = -21.0261698907264 | etot = -17.516806249312 +792000 ekin = 2.04975276454245 | erot = 1.57988802147755 | epot = -21.07703366781 | etot = -17.44739288179 +793000 ekin = 2.17271315800368 | erot = 1.66062406864755 | epot = -21.1162570840033 | etot = -17.282919857352 +794000 ekin = 2.1333415780368 | erot = 1.76445873405366 | epot = -21.1513206879653 | etot = -17.2535203758748 +795000 ekin = 2.13601408983655 | erot = 1.81116078831877 | epot = -21.1807545548911 | etot = -17.2335796767358 +796000 ekin = 2.17221625803796 | erot = 1.84884046113839 | epot = -21.2058704683359 | etot = -17.1848137491596 +797000 ekin = 2.1463721053049 | erot = 2.21749811105505 | epot = -21.2529195044654 | etot = -16.8890492881055 +798000 ekin = 2.15957642625886 | erot = 2.29275394485755 | epot = -21.2708923889547 | etot = -16.8185620178383 +799000 ekin = 2.08753769092984 | erot = 2.48223892349963 | epot = -21.298877057375 | etot = -16.7291004429455 +800000 ekin = 2.10166063621306 | erot = 2.30451589147627 | epot = -21.3357063804161 | etot = -16.9295298527268 +801000 ekin = 1.98982068448309 | erot = 2.31496031357821 | epot = -21.3630439256785 | etot = -17.0582629276172 +802000 ekin = 1.88852653962954 | erot = 2.53585639899644 | epot = -21.4221529007404 | etot = -16.9977699621144 +803000 ekin = 1.86494899702717 | erot = 2.51258933602113 | epot = -21.5138216867254 | etot = -17.1362833536771 +804000 ekin = 1.83485043700229 | erot = 2.73777283234718 | epot = -21.60675388147 | etot = -17.0341306121205 +805000 ekin = 1.89569263744112 | erot = 2.82042555409346 | epot = -21.7141010846669 | etot = -16.9979828931323 +806000 ekin = 2.03598954392718 | erot = 2.98358468485725 | epot = -21.8550274116334 | etot = -16.8354531828489 +807000 ekin = 2.09814069227244 | erot = 2.8132319353642 | epot = -21.9827325780332 | etot = -17.0713599503965 +808000 ekin = 2.1146277027298 | erot = 2.49693470536621 | epot = -22.0688650799838 | etot = -17.4573026718878 +809000 ekin = 2.13890385092049 | erot = 2.65117639911355 | epot = -22.1082573604101 | etot = -17.318177110376 +810000 ekin = 2.15577455258879 | erot = 2.56739189056133 | epot = -22.0870651879663 | etot = -17.3638987448162 +811000 ekin = 2.17521477004763 | erot = 2.59273676449886 | epot = -22.0068576171901 | etot = -17.2389060826436 +812000 ekin = 2.2138211082672 | erot = 2.2833190373276 | epot = -21.9221481456809 | etot = -17.4250080000861 +813000 ekin = 2.23606377538069 | erot = 2.0667628632266 | epot = -21.8452254459276 | etot = -17.5423988073203 +814000 ekin = 2.31218669650448 | erot = 2.21982956647113 | epot = -21.7734705594004 | etot = -17.2414542964248 +815000 ekin = 2.26166132057992 | erot = 2.05343829873293 | epot = -21.7104605671149 | etot = -17.395360947802 +816000 ekin = 2.29922240842023 | erot = 1.78921729997066 | epot = -21.6731772950091 | etot = -17.5847375866182 +817000 ekin = 2.28546650718359 | erot = 1.75994341757863 | epot = -21.6545632782248 | etot = -17.6091533534626 +818000 ekin = 2.21513678285521 | erot = 1.78656435337588 | epot = -21.6636032884056 | etot = -17.6619021521746 +819000 ekin = 2.2739144098903 | erot = 1.82930333148435 | epot = -21.7137466609641 | etot = -17.6105289195894 +820000 ekin = 2.2428209129448 | erot = 1.73998445300752 | epot = -21.8023021191167 | etot = -17.8194967531644 +821000 ekin = 2.19192382316412 | erot = 2.09893863137338 | epot = -21.9355239556899 | etot = -17.6446615011524 +822000 ekin = 2.23107874912494 | erot = 2.41397800350045 | epot = -22.0937718271939 | etot = -17.4487150745685 +823000 ekin = 2.18728871634498 | erot = 2.89300153500107 | epot = -22.2549565567117 | etot = -17.1746663053656 +824000 ekin = 2.09269007791805 | erot = 3.3277443737517 | epot = -22.4116674984368 | etot = -16.991233046767 +825000 ekin = 2.02686183028574 | erot = 3.16127293746629 | epot = -22.5058824787873 | etot = -17.3177477110353 +826000 ekin = 2.03054435557985 | erot = 3.10016450783322 | epot = -22.5168374475919 | etot = -17.3861285841788 +827000 ekin = 2.01452410392906 | erot = 2.84123064216256 | epot = -22.4710810828109 | etot = -17.6153263367193 +828000 ekin = 1.90238312904183 | erot = 2.71042154497554 | epot = -22.3794911074953 | etot = -17.766686433478 +829000 ekin = 1.90418220366908 | erot = 2.69477669052601 | epot = -22.2643157201658 | etot = -17.6653568259707 +830000 ekin = 1.81997341684275 | erot = 2.54478505747627 | epot = -22.1272898430371 | etot = -17.7625313687181 +831000 ekin = 1.83168283006228 | erot = 2.1167788881342 | epot = -22.0163067804203 | etot = -18.0678450622238 +832000 ekin = 1.95186197623467 | erot = 2.17410981396376 | epot = -21.9377902835795 | etot = -17.8118184933811 +833000 ekin = 2.02730820338377 | erot = 1.91567543746809 | epot = -21.8853858637292 | etot = -17.9424022228773 +834000 ekin = 2.14966587630613 | erot = 1.87948738398654 | epot = -21.8918169629535 | etot = -17.8626637026608 +835000 ekin = 2.11991706020911 | erot = 1.8054541455182 | epot = -21.941723079406 | etot = -18.0163518736787 +836000 ekin = 2.16450787990159 | erot = 1.56947066595225 | epot = -22.0176370617284 | etot = -18.2836585158746 +837000 ekin = 2.22942308740125 | erot = 1.72466381535944 | epot = -22.0834662658134 | etot = -18.1293793630527 +838000 ekin = 2.33805060269789 | erot = 2.18496998632859 | epot = -22.1577664107309 | etot = -17.6347458217044 +839000 ekin = 2.45776270515513 | erot = 2.34137207492852 | epot = -22.2345011792188 | etot = -17.4353663991352 +840000 ekin = 2.44088597010558 | erot = 2.2019351625761 | epot = -22.3102615213255 | etot = -17.6674403886438 +841000 ekin = 2.52217561151199 | erot = 2.11119786335644 | epot = -22.4106870083819 | etot = -17.7773135335135 +842000 ekin = 2.53177717032663 | erot = 2.03329546380518 | epot = -22.5051884058711 | etot = -17.9401157717393 +843000 ekin = 2.46981084627127 | erot = 2.26208096486937 | epot = -22.6073969437417 | etot = -17.8755051326011 +844000 ekin = 2.53343392638509 | erot = 2.2623111116808 | epot = -22.6930988517867 | etot = -17.8973538137208 +845000 ekin = 2.55237006837663 | erot = 2.51402635295059 | epot = -22.7449813491078 | etot = -17.6785849277806 +846000 ekin = 2.43591378572727 | erot = 2.18244993015021 | epot = -22.7598171984306 | etot = -18.1414534825531 +847000 ekin = 2.4748928073951 | erot = 2.44850012169248 | epot = -22.7352494455247 | etot = -17.8118565164371 +848000 ekin = 2.5643357454521 | erot = 2.34872816436968 | epot = -22.6736999531278 | etot = -17.760636043306 +849000 ekin = 2.59586448024849 | erot = 2.26529497804774 | epot = -22.5710185702837 | etot = -17.7098591119875 +850000 ekin = 2.4903961332438 | erot = 2.08374957064487 | epot = -22.4628543871474 | etot = -17.8887086832587 +851000 ekin = 2.488488280051 | erot = 2.15043973705406 | epot = -22.3616397400164 | etot = -17.7227117229113 +852000 ekin = 2.50477194373655 | erot = 2.31551148311398 | epot = -22.2794107361277 | etot = -17.4591273092772 +853000 ekin = 2.48988722576821 | erot = 2.37905944195154 | epot = -22.2174467488412 | etot = -17.3485000811214 +854000 ekin = 2.48068473577124 | erot = 2.18215338513696 | epot = -22.1954265386905 | etot = -17.5325884177823 +855000 ekin = 2.36041825080372 | erot = 2.14907471345932 | epot = -22.229814016814 | etot = -17.7203210525509 +856000 ekin = 2.417358203682 | erot = 2.28663399372911 | epot = -22.3010603003025 | etot = -17.5970681028914 +857000 ekin = 2.30380534498129 | erot = 2.28079843394928 | epot = -22.3899957816153 | etot = -17.8053920026848 +858000 ekin = 2.32374915951241 | erot = 2.52586913415153 | epot = -22.4777730735045 | etot = -17.6281547798405 +859000 ekin = 2.3619482564049 | erot = 2.27489572175724 | epot = -22.5497050266214 | etot = -17.9128610484593 +860000 ekin = 2.2967620573291 | erot = 2.8388989146634 | epot = -22.6025698957187 | etot = -17.4669089237262 +861000 ekin = 2.21161021313974 | erot = 2.99481322410829 | epot = -22.6299245638849 | etot = -17.4235011266369 +862000 ekin = 2.21838183726318 | erot = 3.25000510606081 | epot = -22.6168976032125 | etot = -17.1485106598885 +863000 ekin = 2.13571465170804 | erot = 3.00165601774374 | epot = -22.5766345837815 | etot = -17.4392639143298 +864000 ekin = 2.17821492819622 | erot = 3.24144192927424 | epot = -22.5094500698137 | etot = -17.0897932123433 +865000 ekin = 2.12870821452531 | erot = 3.22322665201182 | epot = -22.4134082795112 | etot = -17.0614734129741 +866000 ekin = 2.03423896588069 | erot = 2.41447107774391 | epot = -22.3090528921738 | etot = -17.8603428485492 +867000 ekin = 1.97183886889236 | erot = 2.4818416043682 | epot = -22.2021182647478 | etot = -17.7484377914873 +868000 ekin = 1.91308044020495 | erot = 2.2465020804263 | epot = -22.1047137256864 | etot = -17.9451312050551 +869000 ekin = 1.86185635878513 | erot = 2.19298136311333 | epot = -22.0509375705501 | etot = -17.9960998486517 +870000 ekin = 1.75992459606909 | erot = 2.27547409061159 | epot = -22.0117595888705 | etot = -17.9763609021898 +871000 ekin = 1.72178818046751 | erot = 1.9657215078554 | epot = -21.980219974492 | etot = -18.2927102861691 +872000 ekin = 1.66903556580815 | erot = 1.9379416782388 | epot = -21.9603990023827 | etot = -18.3534217583358 +873000 ekin = 1.64894346626472 | erot = 1.88450940280994 | epot = -21.9681555430981 | etot = -18.4347026740234 +874000 ekin = 1.57135406761337 | erot = 1.94741453396434 | epot = -21.9765853859777 | etot = -18.4578167843999 +875000 ekin = 1.59516741268935 | erot = 2.23157297797765 | epot = -21.9920927279216 | etot = -18.1653523372546 +876000 ekin = 1.50206798403358 | erot = 2.57780068625252 | epot = -22.0050475608067 | etot = -17.9251788905206 +877000 ekin = 1.52015373136829 | erot = 2.28437163698736 | epot = -22.0218254393268 | etot = -18.2173000709712 +878000 ekin = 1.53387227783086 | erot = 2.27517376879602 | epot = -22.0464155341903 | etot = -18.2373694875634 +879000 ekin = 1.55669077534398 | erot = 2.37565877810974 | epot = -22.0629736571075 | etot = -18.1306241036537 +880000 ekin = 1.60508011630015 | erot = 2.26195551636616 | epot = -22.0724613924566 | etot = -18.2054257597903 +881000 ekin = 1.62558178006308 | erot = 2.31792675005643 | epot = -22.0658818657183 | etot = -18.1223733355988 +882000 ekin = 1.6144910958812 | erot = 2.44866007965463 | epot = -22.0469024278352 | etot = -17.9837512522994 +883000 ekin = 1.63091904234953 | erot = 2.18398402433269 | epot = -22.0252651066238 | etot = -18.2103620399416 +884000 ekin = 1.69681929338547 | erot = 2.21165212418211 | epot = -21.9745385463916 | etot = -18.066067128824 +885000 ekin = 1.75683241806753 | erot = 2.08331167107031 | epot = -21.8927725348196 | etot = -18.0526284456818 +886000 ekin = 1.75713708681619 | erot = 1.80115910431478 | epot = -21.826515750347 | etot = -18.268219559216 +887000 ekin = 1.84458649763971 | erot = 1.6655369970267 | epot = -21.7661815209394 | etot = -18.256058026273 +888000 ekin = 1.88680036415703 | erot = 1.7206520016233 | epot = -21.7110459690312 | etot = -18.1035936032509 +889000 ekin = 1.92232221960098 | erot = 1.56101057590172 | epot = -21.6536565424968 | etot = -18.1703237469941 +890000 ekin = 2.02284103377922 | erot = 1.31029028744492 | epot = -21.5930522300749 | etot = -18.2599209088507 +891000 ekin = 2.0244270161912 | erot = 1.42067034503728 | epot = -21.5472191599552 | etot = -18.1021217987267 +892000 ekin = 2.0362677580668 | erot = 1.6631677107657 | epot = -21.5129190017501 | etot = -17.8134835329176 +893000 ekin = 2.05186124624837 | erot = 1.57527161139243 | epot = -21.4921943128911 | etot = -17.8650614552503 +894000 ekin = 2.09965074001103 | erot = 1.56560345394405 | epot = -21.4743969884808 | etot = -17.8091427945257 +895000 ekin = 2.16252772919196 | erot = 1.54647539834646 | epot = -21.4549689326405 | etot = -17.7459658051021 +896000 ekin = 2.10489706554246 | erot = 1.78263133107092 | epot = -21.4330314423336 | etot = -17.5455030457202 +897000 ekin = 2.15073147494894 | erot = 1.74536300046844 | epot = -21.4239119831837 | etot = -17.5278175077664 +898000 ekin = 2.21697995910659 | erot = 2.06978765869365 | epot = -21.4471718071721 | etot = -17.1604041893719 +899000 ekin = 2.33779396143682 | erot = 2.00733840871154 | epot = -21.4839889813085 | etot = -17.1388566111601 +900000 ekin = 2.41597591914528 | erot = 1.85133754557104 | epot = -21.5274273367598 | etot = -17.2601138720435 +901000 ekin = 2.52644082940032 | erot = 2.19280268194111 | epot = -21.5756266105065 | etot = -16.8563830991651 +902000 ekin = 2.5104307371304 | erot = 1.85686816359485 | epot = -21.6063552107196 | etot = -17.2390563099944 +903000 ekin = 2.62548018500407 | erot = 1.94554509677329 | epot = -21.6466830430359 | etot = -17.0756577612585 +904000 ekin = 2.68604865642036 | erot = 1.82230313014663 | epot = -21.7065646613489 | etot = -17.1982128747819 +905000 ekin = 2.83060251059802 | erot = 2.0169713948485 | epot = -21.7613929111648 | etot = -16.9138190057183 +906000 ekin = 2.94848642766405 | erot = 1.99957930227793 | epot = -21.7999060542919 | etot = -16.8518403243499 +907000 ekin = 2.88672419291402 | erot = 2.19624352905707 | epot = -21.8240702621858 | etot = -16.7411025402147 +908000 ekin = 2.91368680910818 | erot = 2.2752598128973 | epot = -21.8626935205279 | etot = -16.6737468985224 +909000 ekin = 3.03993111338504 | erot = 2.41813386601853 | epot = -21.879736108139 | etot = -16.4216711287354 +910000 ekin = 3.02111394144764 | erot = 2.25653445757713 | epot = -21.8869501318898 | etot = -16.6093017328651 +911000 ekin = 2.99074440603055 | erot = 2.42571768981025 | epot = -21.8911591932141 | etot = -16.4746970973733 +912000 ekin = 2.93883503898899 | erot = 2.54048734112191 | epot = -21.8943632676168 | etot = -16.4150408875059 +913000 ekin = 2.88155815219829 | erot = 2.43333021308706 | epot = -21.8712405715098 | etot = -16.5563522062244 +914000 ekin = 2.78298688988037 | erot = 2.69976035390989 | epot = -21.8286041753375 | etot = -16.3458569315473 +915000 ekin = 2.75144009449231 | erot = 2.66679831130723 | epot = -21.7506323099735 | etot = -16.3323939041739 +916000 ekin = 2.7232885681261 | erot = 2.5321692255797 | epot = -21.6421731788429 | etot = -16.3867153851371 +917000 ekin = 2.69768821710692 | erot = 2.47439052917342 | epot = -21.5733596386738 | etot = -16.4012808923935 +918000 ekin = 2.66995818672244 | erot = 2.09882686301138 | epot = -21.5521619505356 | etot = -16.7833769008018 +919000 ekin = 2.61716147205333 | erot = 2.17918504384239 | epot = -21.5346780530109 | etot = -16.7383315371152 +920000 ekin = 2.4752636050963 | erot = 2.51685127690453 | epot = -21.4991402053981 | etot = -16.5070253233973 +921000 ekin = 2.47056876818124 | erot = 2.49255863309457 | epot = -21.4619591744658 | etot = -16.49883177319 +922000 ekin = 2.58423659960796 | erot = 2.61648914399003 | epot = -21.415611615363 | etot = -16.214885871765 +923000 ekin = 2.49375353891012 | erot = 2.67153957254799 | epot = -21.4001146688761 | etot = -16.2348215574179 +924000 ekin = 2.44602138612021 | erot = 2.68498715701816 | epot = -21.4057397221903 | etot = -16.274731179052 +925000 ekin = 2.4033884662416 | erot = 3.00424602709635 | epot = -21.4434811046198 | etot = -16.0358466112819 +926000 ekin = 2.47488592872591 | erot = 3.17529768125855 | epot = -21.5232565657775 | etot = -15.873072955793 +927000 ekin = 2.40301595960374 | erot = 3.1766285148493 | epot = -21.6300583966364 | etot = -16.0504139221834 +928000 ekin = 2.44990005675536 | erot = 3.45632999664383 | epot = -21.7790682902897 | etot = -15.8728382368905 +929000 ekin = 2.56646836803431 | erot = 3.14534753938374 | epot = -21.9043533033882 | etot = -16.1925373959701 +930000 ekin = 2.53471244466995 | erot = 3.34571877879509 | epot = -21.9769628203927 | etot = -16.0965315969277 +931000 ekin = 2.50104812028332 | erot = 3.03046410574044 | epot = -22.0056915593062 | etot = -16.4741793332825 +932000 ekin = 2.49568433462474 | erot = 2.88794958693699 | epot = -21.9962407011222 | etot = -16.6126067795604 +933000 ekin = 2.38321005752042 | erot = 2.8179651958572 | epot = -21.9635224592414 | etot = -16.7623472058638 +934000 ekin = 2.4631793302924 | erot = 2.48085702084528 | epot = -21.9076116702172 | etot = -16.9635753190795 +935000 ekin = 2.49404269439001 | erot = 2.2680501421832 | epot = -21.8352758876517 | etot = -17.0731830510785 +936000 ekin = 2.54306971323985 | erot = 2.27852041735781 | epot = -21.744631719905 | etot = -16.9230415893073 +937000 ekin = 2.53788333247455 | erot = 2.23194591805544 | epot = -21.6534356613612 | etot = -16.8836064108312 +938000 ekin = 2.56958704064676 | erot = 2.22382492410265 | epot = -21.6129100017677 | etot = -16.8194980370182 +939000 ekin = 2.57422838457825 | erot = 2.07923538706558 | epot = -21.627925471487 | etot = -16.9744616998432 +940000 ekin = 2.60491982052164 | erot = 1.98992236153694 | epot = -21.6750092612145 | etot = -17.0801670791559 +941000 ekin = 2.66373355701882 | erot = 2.32917490630045 | epot = -21.7643701633303 | etot = -16.771461700011 +942000 ekin = 2.69288932722208 | erot = 2.64061927508672 | epot = -21.8851511920178 | etot = -16.551642589709 +943000 ekin = 2.85220624426685 | erot = 2.64758558594824 | epot = -22.0439788566377 | etot = -16.5441870264226 +944000 ekin = 3.06981838443027 | erot = 2.58432650033874 | epot = -22.1868426785127 | etot = -16.5326977937437 +945000 ekin = 3.11977740266157 | erot = 2.76047052292399 | epot = -22.3020466458573 | etot = -16.4217987202717 +946000 ekin = 3.19652619014396 | erot = 2.60532859032593 | epot = -22.384087606966 | etot = -16.5822328264961 +947000 ekin = 3.0878408552909 | erot = 2.30512601523218 | epot = -22.4409982051648 | etot = -17.0480313346417 +948000 ekin = 3.07667922739931 | erot = 2.80704322134861 | epot = -22.4646638948259 | etot = -16.580941446078 +949000 ekin = 3.17062900636055 | erot = 2.74445638705334 | epot = -22.4206065116938 | etot = -16.5055211182799 +950000 ekin = 2.99689212844137 | erot = 2.86552970257333 | epot = -22.3361816450126 | etot = -16.4737598139979 +951000 ekin = 2.97085887473133 | erot = 2.98485442072136 | epot = -22.2080335641936 | etot = -16.252320268741 +952000 ekin = 2.8842631754872 | erot = 2.8809900192572 | epot = -22.0862048890997 | etot = -16.3209516943553 +953000 ekin = 2.7982194729927 | erot = 2.79125510393625 | epot = -21.969725924855 | etot = -16.3802513479261 +954000 ekin = 2.75832450886977 | erot = 2.42390666106181 | epot = -21.8712203511701 | etot = -16.6889891812385 +955000 ekin = 2.87942571582999 | erot = 2.62352115358359 | epot = -21.7827306606124 | etot = -16.2797837911988 +956000 ekin = 2.99654896256558 | erot = 2.37509995935517 | epot = -21.7003789778443 | etot = -16.3287300559236 +957000 ekin = 3.01075252014571 | erot = 2.0959903323952 | epot = -21.6228190260862 | etot = -16.5160761735453 +958000 ekin = 3.08956507051447 | erot = 2.10771389670693 | epot = -21.5884599129524 | etot = -16.391180945731 +959000 ekin = 3.0764993561191 | erot = 2.19950747705666 | epot = -21.6082995757446 | etot = -16.3322927425689 +960000 ekin = 3.10536584557396 | erot = 2.29678872673568 | epot = -21.6407886898385 | etot = -16.2386341175289 +961000 ekin = 3.15824288797319 | erot = 2.14027743718253 | epot = -21.657149423264 | etot = -16.3586290981083 +962000 ekin = 3.14297945524784 | erot = 2.20585989326445 | epot = -21.6669948660148 | etot = -16.3181555175025 +963000 ekin = 3.09592787201277 | erot = 1.84946957131994 | epot = -21.6592309502121 | etot = -16.7138335068794 +964000 ekin = 3.09941791328226 | erot = 2.05420199745743 | epot = -21.6348571714204 | etot = -16.4812372606807 +965000 ekin = 3.05909780025704 | erot = 2.03923495471238 | epot = -21.5780802205104 | etot = -16.479747465541 +966000 ekin = 3.14454176510646 | erot = 2.08245540621271 | epot = -21.4998250637724 | etot = -16.2728278924532 +967000 ekin = 3.03869206876124 | erot = 1.99551102271488 | epot = -21.4455121298548 | etot = -16.4113090383786 +968000 ekin = 2.91377375855432 | erot = 2.20122833628323 | epot = -21.4117922551795 | etot = -16.296790160342 +969000 ekin = 2.99132330213241 | erot = 2.47698235897834 | epot = -21.3565561223408 | etot = -15.8882504612301 +970000 ekin = 2.9592500568048 | erot = 2.48694698427739 | epot = -21.3051309670821 | etot = -15.8589339259999 +971000 ekin = 2.85605976500643 | erot = 2.15308731154091 | epot = -21.2711653081504 | etot = -16.2620182316031 +972000 ekin = 2.87454972615855 | erot = 2.21622270070414 | epot = -21.2533681597897 | etot = -16.162595732927 +973000 ekin = 2.82721122527912 | erot = 2.35000163924687 | epot = -21.2327108232249 | etot = -16.055497958699 +974000 ekin = 2.72683175865898 | erot = 2.83125023318017 | epot = -21.2149243536631 | etot = -15.656842361824 +975000 ekin = 2.70588216363101 | erot = 2.49368474281192 | epot = -21.1936492280788 | etot = -15.9940823216358 +976000 ekin = 2.70041722750338 | erot = 2.45741362546222 | epot = -21.1872755048005 | etot = -16.0294446518349 +977000 ekin = 2.59457836008745 | erot = 2.48585482647431 | epot = -21.1832960991295 | etot = -16.1028629125678 +978000 ekin = 2.59433384768261 | erot = 2.2568529885093 | epot = -21.1912738457585 | etot = -16.3400870095666 +979000 ekin = 2.65907339789715 | erot = 2.14939269259649 | epot = -21.2277961745874 | etot = -16.4193300840938 +980000 ekin = 2.68002582724941 | erot = 2.14623475911327 | epot = -21.2888425661001 | etot = -16.4625819797375 +981000 ekin = 2.64198792972712 | erot = 2.09278957349339 | epot = -21.3758129934796 | etot = -16.6410354902591 +982000 ekin = 2.72135605209082 | erot = 2.104842669207 | epot = -21.4695788294429 | etot = -16.6433801081451 +983000 ekin = 2.63994960139947 | erot = 2.23278066526111 | epot = -21.5361373723971 | etot = -16.6634071057365 +984000 ekin = 2.61481848525047 | erot = 2.09640066338693 | epot = -21.5563728487096 | etot = -16.8451537000722 +985000 ekin = 2.61123661404225 | erot = 2.33711711151793 | epot = -21.5280304280226 | etot = -16.5796767024624 +986000 ekin = 2.53166588530016 | erot = 2.51414944396451 | epot = -21.4598136655134 | etot = -16.4139983362488 +987000 ekin = 2.51681610277364 | erot = 2.15601000139561 | epot = -21.3682813084312 | etot = -16.6954552042619 +988000 ekin = 2.52900907479967 | erot = 1.99810184774674 | epot = -21.2423979763251 | etot = -16.7152870537787 +989000 ekin = 2.46743393431978 | erot = 2.17612647821162 | epot = -21.1081947595189 | etot = -16.4646343469875 +990000 ekin = 2.33679166273261 | erot = 2.21492463068834 | epot = -20.9584920898949 | etot = -16.4067757964739 +991000 ekin = 2.15649617938467 | erot = 2.10512589255922 | epot = -20.8223518284057 | etot = -16.5607297564618 +992000 ekin = 2.1666776200099 | erot = 2.36721990012104 | epot = -20.7043891749962 | etot = -16.1704916548652 +993000 ekin = 2.19208440550422 | erot = 2.60766896726736 | epot = -20.6167811931572 | etot = -15.8170278203856 +994000 ekin = 2.24324320799097 | erot = 2.72045204046688 | epot = -20.5394560681001 | etot = -15.5757608196422 +995000 ekin = 2.30218249346941 | erot = 2.38815652338815 | epot = -20.5055629227559 | etot = -15.8152239058984 +996000 ekin = 2.42068208522293 | erot = 2.25149887670527 | epot = -20.5308517273637 | etot = -15.8586707654355 +997000 ekin = 2.40906609278047 | erot = 2.62359663392259 | epot = -20.6100670630845 | etot = -15.5774043363815 +998000 ekin = 2.47036155438578 | erot = 2.72144206830481 | epot = -20.7420376418528 | etot = -15.5502340191622 +999000 ekin = 2.48386726649711 | erot = 3.06416174290322 | epot = -20.894846886581 | etot = -15.3468178771807 +1000000 ekin = 2.67285546610932 | erot = 3.25707361502085 | epot = -21.0717432309422 | etot = -15.141814149812 + 1000000 0.11879358 -1.3439085 0.026924568 -1.1499305 -8.5339515e-05 64000 +Loop time of 20.1611 on 4 procs for 1000000 steps with 16 atoms + +Performance: 42854.842 tau/day, 49600.511 timesteps/s +99.7% CPU use with 4 MPI tasks x no OpenMP threads + +MPI task timing breakdown: +Section | min time | avg time | max time |%varavg| %total +--------------------------------------------------------------- +Pair | 4.2835 | 7.6895 | 12.253 | 104.5 | 38.14 +Bond | 0.30149 | 0.3467 | 0.39285 | 7.1 | 1.72 +Neigh | 0.013536 | 0.013651 | 0.013755 | 0.1 | 0.07 +Comm | 4.1686 | 8.9506 | 12.543 | 102.1 | 44.40 +Output | 0.091778 | 0.096879 | 0.10816 | 2.1 | 0.48 +Modify | 1.2704 | 1.4599 | 1.6558 | 14.7 | 7.24 +Other | | 1.604 | | | 7.96 + +Nlocal: 4.00000 ave 5 max 3 min +Histogram: 2 0 0 0 0 0 0 0 0 2 +Nghost: 12.0000 ave 13 max 11 min +Histogram: 2 0 0 0 0 0 0 0 0 2 +Neighs: 26.2500 ave 54 max 9 min +Histogram: 1 1 0 0 1 0 0 0 0 1 + +Total # of neighbors = 105 +Ave neighs/atom = 6.5625000 +Ave special neighs/atom = 3.7500000 +Neighbor list builds = 1000 +Dangerous builds = 0 + +write_data last_config.${number}.* nocoeff +write_data last_config.2.* nocoeff +System init for write_data ... +#write_restart last_config.${number}.* +Total wall time: 0:00:20 diff --git a/examples/PACKAGES/cgdna/examples/oxDNA2/dsring/data.dsring b/examples/PACKAGES/cgdna/examples/oxDNA2/dsring/data.dsring new file mode 100644 index 0000000000..bc30aad2e4 --- /dev/null +++ b/examples/PACKAGES/cgdna/examples/oxDNA2/dsring/data.dsring @@ -0,0 +1,622 @@ +LAMMPS data file via write_data, version 2 Jul 2021 + +148 atoms +4 atom types +148 bonds +1 bond types +148 ellipsoids + +0 100 xlo xhi +0 100 ylo yhi +0 100 zlo zhi + +Masses + +1 3.1575 +2 3.1575 +3 3.1575 +4 3.1575 + +Atoms # hybrid + +1 1 24.4563103076585 24.545468489552267 25.008405986404544 1 1 3.7269849963023267 0 0 0 +2 4 24.529799925849524 24.236299729034574 25.438869726984304 1 1 3.7269849963023267 0 0 0 +3 3 24.837268545282573 23.98498105692614 25.841653825869834 1 1 3.7269849963023267 0 0 0 +4 2 25.160243408748546 23.990448143707216 26.252262907702004 1 1 3.7269849963023267 0 0 0 +5 1 25.511800888983288 24.20297091581725 26.46953407064928 1 1 3.7269849963023267 0 0 0 +6 2 25.746069731378416 24.53734405670471 26.70776555674676 1 1 3.7269849963023267 0 0 0 +7 3 25.808044471759384 24.911661509909727 27.06389642784591 1 1 3.7269849963023267 0 0 0 +8 2 25.702150220414598 25.16021735315657 27.552609445175545 1 1 3.7269849963023267 0 0 0 +9 4 25.86583558481563 25.223272838133713 28.134182300485513 1 1 3.7269849963023267 0 0 0 +10 2 25.80332921740182 25.045832983472046 28.610009845867623 1 1 3.7269849963023267 0 0 0 +11 3 25.910927625439783 24.67877553909445 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a/examples/PACKAGES/cgdna/examples/oxDNA2/dsring/in.dsring b/examples/PACKAGES/cgdna/examples/oxDNA2/dsring/in.dsring new file mode 100644 index 0000000000..8f476b9d1f --- /dev/null +++ b/examples/PACKAGES/cgdna/examples/oxDNA2/dsring/in.dsring @@ -0,0 +1,72 @@ +variable number equal 5 +variable ofreq equal 1000 +variable efreq equal 1000 +variable T equal 0.1 +variable rhos equal 0.2 + +units lj + +dimension 3 + +newton on + +boundary p p p + +atom_style hybrid bond ellipsoid oxdna +atom_modify sort 0 1.0 + +# Pair interactions require lists of neighbours to be calculated +neighbor 2.0 bin +neigh_modify every 1 delay 0 check yes + +read_data data.dsring + +set atom * mass 3.1575 + +group all type 1 4 + +# oxDNA2 bond interactions - FENE backbone +bond_style oxdna2/fene +bond_coeff * 2.0 0.25 0.7564 +special_bonds lj 0 1 1 + +# oxDNA2 pair interactions +pair_style hybrid/overlay oxdna2/excv oxdna2/stk oxdna2/hbond oxdna2/xstk oxdna2/coaxstk oxdna2/dh +pair_coeff * * oxdna2/excv 2.0 0.7 0.675 2.0 0.515 0.5 2.0 0.33 0.32 +pair_coeff * * oxdna2/stk seqdep ${T} 1.3523 2.6717 6.0 0.4 0.9 0.32 0.75 1.3 0 0.8 0.9 0 0.95 0.9 0 0.95 2.0 0.65 2.0 0.65 +pair_coeff * * oxdna2/hbond seqdep 0.0 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 +pair_coeff 1 4 oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 +pair_coeff 2 3 oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 +pair_coeff * * oxdna2/xstk 47.5 0.575 0.675 0.495 0.655 2.25 0.791592653589793 0.58 1.7 1.0 0.68 1.7 1.0 0.68 1.5 0 0.65 1.7 0.875 0.68 1.7 0.875 0.68 +pair_coeff * * oxdna2/coaxstk 58.5 0.4 0.6 0.22 0.58 2.0 2.891592653589793 0.65 1.3 0 0.8 0.9 0 0.95 0.9 0 0.95 40.0 3.116592653589793 +pair_coeff * * oxdna2/dh ${T} ${rhos} 0.815 + +# NVE ensemble +fix 1 all nve/asphere +#fix 2 all langevin ${T} ${T} 2.5 457145 angmom 10 + +timestep 1e-5 + +#comm_style tiled +fix 3 all balance 1000 1.03 shift xyz 10 1.03 +comm_modify cutoff 3.8 + +compute quat all property/atom quatw quati quatj quatk + +compute erot all erotate/asphere +compute ekin all ke +compute epot all pe +variable erot equal c_erot +variable ekin equal c_ekin +variable epot equal c_epot +variable etot equal c_erot+c_ekin+c_epot +fix 5 all print ${efreq} "$(step) ekin = ${ekin} | erot = ${erot} | epot = ${epot} | etot = ${etot}" screen yes + +dump out all custom ${ofreq} out.${number}.lammpstrj id mol type x y z ix iy iz vx vy vz c_quat[1] c_quat[2] c_quat[3] c_quat[4] angmomx angmomy angmomz +dump_modify out sort id +dump_modify out format line "%d %d %d %22.15le %22.15le %22.15le %d %d %d %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le" + +run 100000 + +write_data last_config.${number}.* nocoeff +#write_restart last_config.${number}.* diff --git a/examples/PACKAGES/cgdna/examples/oxDNA2/dsring/log.2Jul21.dsring.g++.1 b/examples/PACKAGES/cgdna/examples/oxDNA2/dsring/log.2Jul21.dsring.g++.1 new file mode 100644 index 0000000000..0c5a623cc8 --- /dev/null +++ b/examples/PACKAGES/cgdna/examples/oxDNA2/dsring/log.2Jul21.dsring.g++.1 @@ -0,0 +1,281 @@ +LAMMPS (2 Jul 2021) +variable number equal 5 +variable ofreq equal 1000 +variable efreq equal 1000 +variable T equal 0.1 +variable rhos equal 0.2 + +units lj + +dimension 3 + +newton on + +boundary p p p + +atom_style hybrid bond ellipsoid oxdna +WARNING: Atom style hybrid defines both, per-type and per-atom masses; both must be set, but only per-atom masses will be used (../atom_vec_hybrid.cpp:157) +atom_modify sort 0 1.0 + +# Pair interactions require lists of neighbours to be calculated +neighbor 2.0 bin +neigh_modify every 1 delay 0 check yes + +read_data data.dsring +Reading data file ... + orthogonal box = (0.0000000 0.0000000 0.0000000) to (100.00000 100.00000 100.00000) + 1 by 1 by 1 MPI processor grid + reading atoms ... + 148 atoms + reading velocities ... + 148 velocities + scanning bonds ... + 1 = max bonds/atom + 148 ellipsoids + reading bonds ... + 148 bonds +Finding 1-2 1-3 1-4 neighbors ... + special bond factors lj: 0 0 0 + special bond factors coul: 0 0 0 + 2 = max # of 1-2 neighbors + 2 = max # of 1-3 neighbors + 4 = max # of 1-4 neighbors + 6 = max # of special neighbors + special bonds CPU = 0.000 seconds + read_data CPU = 0.004 seconds + +set atom * mass 3.1575 +Setting atom values ... + 148 settings made for mass + +group all type 1 4 +148 atoms in group all + +# oxDNA2 bond interactions - FENE backbone +bond_style oxdna2/fene +bond_coeff * 2.0 0.25 0.7564 +special_bonds lj 0 1 1 +Finding 1-2 1-3 1-4 neighbors ... + special bond factors lj: 0 1 1 + special bond factors coul: 0 0 0 + 2 = max # of 1-2 neighbors + 2 = max # of 1-3 neighbors + 4 = max # of 1-4 neighbors + 6 = max # of special neighbors + special bonds CPU = 0.000 seconds + +# oxDNA2 pair interactions +pair_style hybrid/overlay oxdna2/excv oxdna2/stk oxdna2/hbond oxdna2/xstk oxdna2/coaxstk oxdna2/dh +pair_coeff * * oxdna2/excv 2.0 0.7 0.675 2.0 0.515 0.5 2.0 0.33 0.32 +pair_coeff * * oxdna2/stk seqdep ${T} 1.3523 2.6717 6.0 0.4 0.9 0.32 0.75 1.3 0 0.8 0.9 0 0.95 0.9 0 0.95 2.0 0.65 2.0 0.65 +pair_coeff * * oxdna2/stk seqdep 0.1 1.3523 2.6717 6.0 0.4 0.9 0.32 0.75 1.3 0 0.8 0.9 0 0.95 0.9 0 0.95 2.0 0.65 2.0 0.65 +pair_coeff * * oxdna2/hbond seqdep 0.0 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 +pair_coeff 1 4 oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 +pair_coeff 2 3 oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 +pair_coeff * * oxdna2/xstk 47.5 0.575 0.675 0.495 0.655 2.25 0.791592653589793 0.58 1.7 1.0 0.68 1.7 1.0 0.68 1.5 0 0.65 1.7 0.875 0.68 1.7 0.875 0.68 +pair_coeff * * oxdna2/coaxstk 58.5 0.4 0.6 0.22 0.58 2.0 2.891592653589793 0.65 1.3 0 0.8 0.9 0 0.95 0.9 0 0.95 40.0 3.116592653589793 +pair_coeff * * oxdna2/dh ${T} ${rhos} 0.815 +pair_coeff * * oxdna2/dh 0.1 ${rhos} 0.815 +pair_coeff * * oxdna2/dh 0.1 0.2 0.815 + +# NVE ensemble +fix 1 all nve/asphere +#fix 2 all langevin ${T} ${T} 2.5 457145 angmom 10 + +timestep 1e-5 + +#comm_style tiled +fix 3 all balance 1000 1.03 shift xyz 10 1.03 +comm_modify cutoff 3.8 + +compute quat all property/atom quatw quati quatj quatk + +compute erot all erotate/asphere +compute ekin all ke +compute epot all pe +variable erot equal c_erot +variable ekin equal c_ekin +variable epot equal c_epot +variable etot equal c_erot+c_ekin+c_epot +fix 5 all print ${efreq} "$(step) ekin = ${ekin} | erot = ${erot} | epot = ${epot} | etot = ${etot}" screen yes +fix 5 all print 1000 "$(step) ekin = ${ekin} | erot = ${erot} | epot = ${epot} | etot = ${etot}" screen yes + +dump out all custom ${ofreq} out.${number}.lammpstrj id mol type x y z ix iy iz vx vy vz c_quat[1] c_quat[2] c_quat[3] c_quat[4] angmomx angmomy angmomz +dump out all custom 1000 out.${number}.lammpstrj id mol type x y z ix iy iz vx vy vz c_quat[1] c_quat[2] c_quat[3] c_quat[4] angmomx angmomy angmomz +dump out all custom 1000 out.5.lammpstrj id mol type x y z ix iy iz vx vy vz c_quat[1] c_quat[2] c_quat[3] c_quat[4] angmomx angmomy angmomz +dump_modify out sort id +dump_modify out format line "%d %d %d %22.15le %22.15le %22.15le %d %d %d %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le" + +run 100000 +Neighbor list info ... + update every 1 steps, delay 0 steps, check yes + max neighbors/atom: 2000, page size: 100000 + master list distance cutoff = 5.6389877 + ghost atom cutoff = 5.6389877 + binsize = 2.8194939, bins = 36 36 36 + 5 neighbor lists, perpetual/occasional/extra = 5 0 0 + (1) pair oxdna2/excv, perpetual + attributes: half, newton on + pair build: half/bin/newton + stencil: half/bin/3d + bin: standard + (2) pair oxdna2/hbond, perpetual, copy from (1) + attributes: half, newton on + pair build: copy + stencil: none + bin: none + (3) pair oxdna2/xstk, perpetual, copy from (1) + attributes: half, newton on + pair build: copy + stencil: none + bin: none + (4) pair oxdna2/coaxstk, perpetual, copy from (1) + attributes: half, newton on + pair build: copy + stencil: none + bin: none + (5) pair oxdna2/dh, perpetual, copy from (1) + attributes: half, newton on + pair build: copy + stencil: none + bin: none +WARNING: Communication cutoff adjusted to 5.638987723814632 (../comm.cpp:739) +0 ekin = 20.4724634226502 | erot = 21.0406985312466 | epot = -222.283862600785 | etot = -180.770700646889 +Per MPI rank memory allocation (min/avg/max) = 9.601 | 9.601 | 9.601 Mbytes +Step Temp E_pair E_mol TotEng Press Volume + 0 0.092845639 -1.5501211 0.04820308 -1.3635905 -9.0052368e-06 1000000 +1000 ekin = 20.531989141805 | erot = 21.2158633183735 | epot = -222.518553109361 | etot = -180.770700649183 +2000 ekin = 20.585620972069 | erot = 21.391859435226 | epot = -222.748181058335 | etot = -180.77070065104 +3000 ekin = 20.6239332104642 | erot = 21.5529389082728 | epot = -222.947572771312 | etot = -180.770700652575 +4000 ekin = 20.6395549184482 | erot = 21.6854113323895 | epot = -223.095666904229 | etot = -180.770700653391 +5000 ekin = 20.6295551742564 | erot = 21.7809539301805 | epot = -223.181209757876 | etot = -180.770700653439 +6000 ekin = 20.5959625511847 | erot = 21.8369756530727 | epot = -223.203638857302 | etot = -180.770700653045 +7000 ekin = 20.5431034482068 | erot = 21.8556844173875 | epot = -223.169488517716 | etot = -180.770700652122 +8000 ekin = 20.4774701419092 | erot = 21.8437134145374 | epot = -223.091884207389 | etot = -180.770700650943 +9000 ekin = 20.4074566554238 | erot = 21.8097283692398 | epot = -222.987885674261 | etot = -180.770700649597 +10000 ekin = 20.3427303660296 | erot = 21.7629575866663 | epot = -222.876388600948 | etot = -180.770700648253 +11000 ekin = 20.2927407149577 | erot = 21.7112100845349 | epot = -222.774651446682 | etot = -180.770700647189 +12000 ekin = 20.2665977502213 | erot = 21.6594999867139 | epot = -222.696798383221 | etot = -180.770700646286 +13000 ekin = 20.2733920359447 | erot = 21.6092715397932 | epot = -222.653364221616 | etot = -180.770700645878 +14000 ekin = 20.319652478907 | erot = 21.558663097499 | epot = -222.649016222075 | etot = -180.770700645669 +15000 ekin = 20.4104009374291 | erot = 21.5031572556304 | epot = -222.684258838857 | etot = -180.770700645798 +16000 ekin = 20.5472869005793 | erot = 21.4346177247038 | epot = -222.752605272036 | etot = -180.770700646753 +17000 ekin = 20.7266657908775 | erot = 21.3426631585214 | epot = -222.840029597232 | etot = -180.770700647833 +18000 ekin = 20.9417612759981 | erot = 21.2178611180923 | epot = -222.930323042997 | etot = -180.770700648907 +19000 ekin = 21.1819308659399 | erot = 21.0532289630289 | epot = -223.00586047892 | etot = -180.770700649951 +20000 ekin = 21.4358169889477 | erot = 20.8473069564703 | epot = -223.053824595387 | etot = -180.770700649969 +21000 ekin = 21.6968513751 | erot = 20.6066744652581 | epot = -223.074226489837 | etot = -180.770700649478 +22000 ekin = 21.9614458442786 | erot = 20.3429420444505 | epot = -223.07508853737 | etot = -180.770700648641 +23000 ekin = 22.2276099755705 | erot = 20.0703385165238 | epot = -223.068649139875 | etot = -180.77070064778 +24000 ekin = 22.4935893196675 | erot = 19.802067172166 | epot = -223.066357139276 | etot = -180.770700647443 +25000 ekin = 22.7566064548228 | erot = 19.5464828008836 | epot = -223.073789902975 | etot = -180.770700647269 +26000 ekin = 23.0126717548399 | erot = 19.3065017718462 | epot = -223.089874174571 | etot = -180.770700647885 +27000 ekin = 23.2550417060594 | erot = 19.0797753474567 | epot = -223.105517701932 | etot = -180.770700648416 +28000 ekin = 23.4774329734805 | erot = 18.8646197299574 | epot = -223.112753352067 | etot = -180.770700648629 +29000 ekin = 23.6747927720663 | erot = 18.6628653411825 | epot = -223.108358761693 | etot = -180.770700648445 +30000 ekin = 23.8432321400247 | erot = 18.4812216983637 | epot = -223.095154486375 | etot = -180.770700647986 +31000 ekin = 23.9793041752229 | erot = 18.330784533402 | epot = -223.08078935577 | etot = -180.770700647145 +32000 ekin = 24.0810246040235 | erot = 18.2261577056003 | epot = -223.077882955919 | etot = -180.770700646295 +33000 ekin = 24.1468986449398 | erot = 18.1820705445406 | epot = -223.09966983514 | etot = -180.770700645659 +34000 ekin = 24.1756615132863 | erot = 18.2103812210172 | epot = -223.156743379607 | etot = -180.770700645303 +35000 ekin = 24.1663193894652 | erot = 18.3185351073568 | epot = -223.255555142089 | etot = -180.770700645267 +36000 ekin = 24.1167205812964 | erot = 18.5091649894187 | epot = -223.396586216223 | etot = -180.770700645508 +37000 ekin = 24.0274860006135 | erot = 18.7785134320989 | epot = -223.576700078937 | etot = -180.770700646225 +38000 ekin = 23.8991479078985 | erot = 19.1166063146995 | epot = -223.78645486989 | etot = -180.770700647292 +39000 ekin = 23.7326911853236 | erot = 19.5069160952493 | epot = -224.010307929336 | etot = -180.770700648763 +40000 ekin = 23.5294223072121 | erot = 19.9254673141826 | epot = -224.225590272292 | etot = -180.770700650897 +41000 ekin = 23.2899396141392 | erot = 20.340809778056 | epot = -224.401450045567 | etot = -180.770700653371 +42000 ekin = 23.0154529235024 | erot = 20.7165619564844 | epot = -224.502715535761 | etot = -180.770700655774 +43000 ekin = 22.7111536814278 | erot = 21.0163895622227 | epot = -224.498243901357 | etot = -180.770700657707 +44000 ekin = 22.3710575806356 | erot = 21.2060371289779 | epot = -224.347795365752 | etot = -180.770700656139 +45000 ekin = 22.0515843162889 | erot = 21.2588026881767 | epot = -224.08108764689 | etot = -180.770700642424 +46000 ekin = 21.7855632553132 | erot = 21.2036013766601 | epot = -223.75986526006 | etot = -180.770700628087 +47000 ekin = 21.5167766971454 | erot = 21.0656367023669 | epot = -223.353114011014 | etot = -180.770700611502 +48000 ekin = 21.4540196107332 | erot = 20.8430832424325 | epot = -223.067803499524 | etot = -180.770700646358 +49000 ekin = 21.3647564765273 | erot = 20.5521507191689 | epot = -222.68760781692 | etot = -180.770700621224 +50000 ekin = 21.3125768184616 | erot = 20.2526464671335 | epot = -222.335923904309 | etot = -180.770700618713 +51000 ekin = 21.2949924810833 | erot = 19.9798421626046 | epot = -222.045535260403 | etot = -180.770700616715 +52000 ekin = 21.313714424968 | erot = 19.762769134369 | epot = -221.847184173962 | etot = -180.770700614625 +53000 ekin = 21.3664076685101 | erot = 19.6202359856903 | epot = -221.757344279694 | etot = -180.770700625493 +54000 ekin = 21.4214245524056 | erot = 19.5588232319504 | epot = -221.750948393747 | etot = -180.770700609391 +55000 ekin = 21.5995673396088 | erot = 19.5805214885682 | epot = -221.950789453583 | etot = -180.770700625406 +56000 ekin = 21.7643125668302 | erot = 19.6816042107783 | epot = -222.216617401428 | etot = -180.77070062382 +57000 ekin = 21.922130908444 | erot = 19.8499880475958 | epot = -222.542819582063 | etot = -180.770700626024 +58000 ekin = 22.0666093644387 | erot = 20.0713856445721 | epot = -222.908695636277 | etot = -180.770700627266 +59000 ekin = 22.1910921687945 | erot = 20.3284024096015 | epot = -223.290195207095 | etot = -180.770700628699 +60000 ekin = 22.2920682490233 | erot = 20.6003319531545 | epot = -223.663100832376 | etot = -180.770700630198 +61000 ekin = 22.3680528265786 | erot = 20.8645614198866 | epot = -224.003314878046 | etot = -180.77070063158 +62000 ekin = 22.4198570332631 | erot = 21.0983714926633 | epot = -224.288929158679 | etot = -180.770700632752 +63000 ekin = 22.450080073992 | erot = 21.28155214409 | epot = -224.502332851296 | etot = -180.770700633215 +64000 ekin = 22.4634052763983 | erot = 21.3990470998282 | epot = -224.633153009903 | etot = -180.770700633676 +65000 ekin = 22.4639885390964 | erot = 21.4413332838528 | epot = -224.676022456447 | etot = -180.770700633498 +66000 ekin = 22.4559522488544 | erot = 21.4074154510867 | epot = -224.634068332758 | etot = -180.770700632817 +67000 ekin = 22.4417384097826 | erot = 21.3051580893564 | epot = -224.517597130738 | etot = -180.770700631599 +68000 ekin = 22.421878544646 | erot = 21.1490017805243 | epot = -224.34158095606 | etot = -180.77070063089 +69000 ekin = 22.3954651199576 | erot = 20.9555571676358 | epot = -224.121722917263 | etot = -180.770700629669 +70000 ekin = 22.3613349801193 | erot = 20.7433545871758 | epot = -223.875390195706 | etot = -180.770700628411 +71000 ekin = 22.3171019087139 | erot = 20.5301141425049 | epot = -223.617916679045 | etot = -180.770700627826 +72000 ekin = 22.2595195485147 | erot = 20.3296309382964 | epot = -223.359851114099 | etot = -180.770700627288 +73000 ekin = 22.1869461213877 | erot = 20.1521902584588 | epot = -223.109837006429 | etot = -180.770700626583 +74000 ekin = 22.0990935565683 | erot = 20.0059494138149 | epot = -222.875743596756 | etot = -180.770700626373 +75000 ekin = 21.9959491639282 | erot = 19.8965902063256 | epot = -222.663239996049 | etot = -180.770700625795 +76000 ekin = 21.8806005890445 | erot = 19.828424336326 | epot = -222.479725550679 | etot = -180.770700625308 +77000 ekin = 21.7590261899809 | erot = 19.8043252195864 | epot = -222.334052034216 | etot = -180.770700624649 +78000 ekin = 21.6392419839503 | erot = 19.8262630279236 | epot = -222.236205635986 | etot = -180.770700624113 +79000 ekin = 21.5302317519716 | erot = 19.8938812521576 | epot = -222.194813627769 | etot = -180.77070062364 +80000 ekin = 21.4402276725657 | erot = 20.0060100278943 | epot = -222.216938324074 | etot = -180.770700623614 +81000 ekin = 21.3741486759855 | erot = 20.158514479161 | epot = -222.303363779439 | etot = -180.770700624292 +82000 ekin = 21.3325013763505 | erot = 20.3431413542724 | epot = -222.44634335588 | etot = -180.770700625257 +83000 ekin = 21.3128808684037 | erot = 20.548330990772 | epot = -222.631912485779 | etot = -180.770700626604 +84000 ekin = 21.310766170793 | erot = 20.7607919785174 | epot = -222.842258777119 | etot = -180.770700627809 +85000 ekin = 21.3216301567277 | erot = 20.9678418539246 | epot = -223.060172639485 | etot = -180.770700628833 +86000 ekin = 21.3400295156723 | erot = 21.1566564817957 | epot = -223.267386627523 | etot = -180.770700630055 +87000 ekin = 21.3617783036992 | erot = 21.3170902458394 | epot = -223.449569179882 | etot = -180.770700630344 +88000 ekin = 21.3873913218409 | erot = 21.445443991042 | epot = -223.603535942848 | etot = -180.770700629965 +89000 ekin = 21.421574069399 | erot = 21.5439953706456 | epot = -223.736270068948 | etot = -180.770700628904 +90000 ekin = 21.4723781618091 | erot = 21.6216769093347 | epot = -223.86475569847 | etot = -180.770700627326 +91000 ekin = 21.549406625472 | erot = 21.6927202486463 | epot = -224.012827499723 | etot = -180.770700625604 +92000 ekin = 21.6619209347597 | erot = 21.7730744493012 | epot = -224.205696008348 | etot = -180.770700624287 +93000 ekin = 21.8158778641472 | erot = 21.8756732628048 | epot = -224.462251750825 | etot = -180.770700623873 +94000 ekin = 22.0110275730997 | erot = 22.0060799403022 | epot = -224.787808138196 | etot = -180.770700624794 +95000 ekin = 22.2387555838384 | erot = 22.1596167137192 | epot = -225.16907292429 | etot = -180.770700626733 +96000 ekin = 22.4832444899361 | erot = 22.3220202374401 | epot = -225.575965356875 | etot = -180.770700629499 +97000 ekin = 22.7237276202693 | erot = 22.4720556690122 | epot = -225.966483921719 | etot = -180.770700632437 +98000 ekin = 22.9377647716041 | erot = 22.5858660312277 | epot = -226.294331437118 | etot = -180.770700634287 +99000 ekin = 23.1071231637237 | erot = 22.6457411046184 | epot = -226.523564904806 | etot = -180.770700636464 +100000 ekin = 23.2156001924311 | erot = 22.6390310936006 | epot = -226.625331923822 | etot = -180.770700637791 + 100000 0.10528617 -1.5761124 0.044860201 -1.3743901 -1.9205819e-05 1000000 +Loop time of 83.9672 on 1 procs for 100000 steps with 148 atoms + +Performance: 1028.974 tau/day, 1190.942 timesteps/s +99.9% CPU use with 1 MPI tasks x no OpenMP threads + +MPI task timing breakdown: +Section | min time | avg time | max time |%varavg| %total +--------------------------------------------------------------- +Pair | 80.885 | 80.885 | 80.885 | 0.0 | 96.33 +Bond | 0.94789 | 0.94789 | 0.94789 | 0.0 | 1.13 +Neigh | 0.011589 | 0.011589 | 0.011589 | 0.0 | 0.01 +Comm | 0.045979 | 0.045979 | 0.045979 | 0.0 | 0.05 +Output | 0.11973 | 0.11973 | 0.11973 | 0.0 | 0.14 +Modify | 1.8641 | 1.8641 | 1.8641 | 0.0 | 2.22 +Other | | 0.09239 | | | 0.11 + +Nlocal: 148.000 ave 148 max 148 min +Histogram: 1 0 0 0 0 0 0 0 0 0 +Nghost: 0.00000 ave 0 max 0 min +Histogram: 1 0 0 0 0 0 0 0 0 0 +Neighs: 4199.00 ave 4199 max 4199 min +Histogram: 1 0 0 0 0 0 0 0 0 0 + +Total # of neighbors = 4199 +Ave neighs/atom = 28.371622 +Ave special neighs/atom = 6.0000000 +Neighbor list builds = 100 +Dangerous builds = 0 + +write_data last_config.${number}.* nocoeff +write_data last_config.5.* nocoeff +System init for write_data ... +#write_restart last_config.${number}.* +Total wall time: 0:01:23 diff --git a/examples/PACKAGES/cgdna/examples/oxDNA2/dsring/log.2Jul21.dsring.g++.4 b/examples/PACKAGES/cgdna/examples/oxDNA2/dsring/log.2Jul21.dsring.g++.4 new file mode 100644 index 0000000000..d2a1b84c3d --- /dev/null +++ b/examples/PACKAGES/cgdna/examples/oxDNA2/dsring/log.2Jul21.dsring.g++.4 @@ -0,0 +1,281 @@ +LAMMPS (2 Jul 2021) +variable number equal 5 +variable ofreq equal 1000 +variable efreq equal 1000 +variable T equal 0.1 +variable rhos equal 0.2 + +units lj + +dimension 3 + +newton on + +boundary p p p + +atom_style hybrid bond ellipsoid oxdna +WARNING: Atom style hybrid defines both, per-type and per-atom masses; both must be set, but only per-atom masses will be used (../atom_vec_hybrid.cpp:157) +atom_modify sort 0 1.0 + +# Pair interactions require lists of neighbours to be calculated +neighbor 2.0 bin +neigh_modify every 1 delay 0 check yes + +read_data data.dsring +Reading data file ... + orthogonal box = (0.0000000 0.0000000 0.0000000) to (100.00000 100.00000 100.00000) + 1 by 2 by 2 MPI processor grid + reading atoms ... + 148 atoms + reading velocities ... + 148 velocities + scanning bonds ... + 1 = max bonds/atom + 148 ellipsoids + reading bonds ... + 148 bonds +Finding 1-2 1-3 1-4 neighbors ... + special bond factors lj: 0 0 0 + special bond factors coul: 0 0 0 + 2 = max # of 1-2 neighbors + 2 = max # of 1-3 neighbors + 4 = max # of 1-4 neighbors + 6 = max # of special neighbors + special bonds CPU = 0.001 seconds + read_data CPU = 0.008 seconds + +set atom * mass 3.1575 +Setting atom values ... + 148 settings made for mass + +group all type 1 4 +148 atoms in group all + +# oxDNA2 bond interactions - FENE backbone +bond_style oxdna2/fene +bond_coeff * 2.0 0.25 0.7564 +special_bonds lj 0 1 1 +Finding 1-2 1-3 1-4 neighbors ... + special bond factors lj: 0 1 1 + special bond factors coul: 0 0 0 + 2 = max # of 1-2 neighbors + 2 = max # of 1-3 neighbors + 4 = max # of 1-4 neighbors + 6 = max # of special neighbors + special bonds CPU = 0.000 seconds + +# oxDNA2 pair interactions +pair_style hybrid/overlay oxdna2/excv oxdna2/stk oxdna2/hbond oxdna2/xstk oxdna2/coaxstk oxdna2/dh +pair_coeff * * oxdna2/excv 2.0 0.7 0.675 2.0 0.515 0.5 2.0 0.33 0.32 +pair_coeff * * oxdna2/stk seqdep ${T} 1.3523 2.6717 6.0 0.4 0.9 0.32 0.75 1.3 0 0.8 0.9 0 0.95 0.9 0 0.95 2.0 0.65 2.0 0.65 +pair_coeff * * oxdna2/stk seqdep 0.1 1.3523 2.6717 6.0 0.4 0.9 0.32 0.75 1.3 0 0.8 0.9 0 0.95 0.9 0 0.95 2.0 0.65 2.0 0.65 +pair_coeff * * oxdna2/hbond seqdep 0.0 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 +pair_coeff 1 4 oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 +pair_coeff 2 3 oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 +pair_coeff * * oxdna2/xstk 47.5 0.575 0.675 0.495 0.655 2.25 0.791592653589793 0.58 1.7 1.0 0.68 1.7 1.0 0.68 1.5 0 0.65 1.7 0.875 0.68 1.7 0.875 0.68 +pair_coeff * * oxdna2/coaxstk 58.5 0.4 0.6 0.22 0.58 2.0 2.891592653589793 0.65 1.3 0 0.8 0.9 0 0.95 0.9 0 0.95 40.0 3.116592653589793 +pair_coeff * * oxdna2/dh ${T} ${rhos} 0.815 +pair_coeff * * oxdna2/dh 0.1 ${rhos} 0.815 +pair_coeff * * oxdna2/dh 0.1 0.2 0.815 + +# NVE ensemble +fix 1 all nve/asphere +#fix 2 all langevin ${T} ${T} 2.5 457145 angmom 10 + +timestep 1e-5 + +#comm_style tiled +fix 3 all balance 1000 1.03 shift xyz 10 1.03 +comm_modify cutoff 3.8 + +compute quat all property/atom quatw quati quatj quatk + +compute erot all erotate/asphere +compute ekin all ke +compute epot all pe +variable erot equal c_erot +variable ekin equal c_ekin +variable epot equal c_epot +variable etot equal c_erot+c_ekin+c_epot +fix 5 all print ${efreq} "$(step) ekin = ${ekin} | erot = ${erot} | epot = ${epot} | etot = ${etot}" screen yes +fix 5 all print 1000 "$(step) ekin = ${ekin} | erot = ${erot} | epot = ${epot} | etot = ${etot}" screen yes + +dump out all custom ${ofreq} out.${number}.lammpstrj id mol type x y z ix iy iz vx vy vz c_quat[1] c_quat[2] c_quat[3] c_quat[4] angmomx angmomy angmomz +dump out all custom 1000 out.${number}.lammpstrj id mol type x y z ix iy iz vx vy vz c_quat[1] c_quat[2] c_quat[3] c_quat[4] angmomx angmomy angmomz +dump out all custom 1000 out.5.lammpstrj id mol type x y z ix iy iz vx vy vz c_quat[1] c_quat[2] c_quat[3] c_quat[4] angmomx angmomy angmomz +dump_modify out sort id +dump_modify out format line "%d %d %d %22.15le %22.15le %22.15le %d %d %d %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le" + +run 100000 +Neighbor list info ... + update every 1 steps, delay 0 steps, check yes + max neighbors/atom: 2000, page size: 100000 + master list distance cutoff = 5.6389877 + ghost atom cutoff = 5.6389877 + binsize = 2.8194939, bins = 36 36 36 + 5 neighbor lists, perpetual/occasional/extra = 5 0 0 + (1) pair oxdna2/excv, perpetual + attributes: half, newton on + pair build: half/bin/newton + stencil: half/bin/3d + bin: standard + (2) pair oxdna2/hbond, perpetual, copy from (1) + attributes: half, newton on + pair build: copy + stencil: none + bin: none + (3) pair oxdna2/xstk, perpetual, copy from (1) + attributes: half, newton on + pair build: copy + stencil: none + bin: none + (4) pair oxdna2/coaxstk, perpetual, copy from (1) + attributes: half, newton on + pair build: copy + stencil: none + bin: none + (5) pair oxdna2/dh, perpetual, copy from (1) + attributes: half, newton on + pair build: copy + stencil: none + bin: none +WARNING: Communication cutoff adjusted to 5.638987723814632 (../comm.cpp:739) +0 ekin = 20.4724634226502 | erot = 21.0406985312466 | epot = -222.283862600785 | etot = -180.770700646889 +Per MPI rank memory allocation (min/avg/max) = 9.383 | 9.432 | 9.506 Mbytes +Step Temp E_pair E_mol TotEng Press Volume + 0 0.092845639 -1.5501211 0.04820308 -1.3635905 -9.0052368e-06 1000000 +1000 ekin = 20.531989141805 | erot = 21.2158633183735 | epot = -222.518553109361 | etot = -180.770700649183 +2000 ekin = 20.585620972069 | erot = 21.391859435226 | epot = -222.748181058335 | etot = -180.77070065104 +3000 ekin = 20.6239332104643 | erot = 21.5529389082727 | epot = -222.947572771312 | etot = -180.770700652575 +4000 ekin = 20.6395549184482 | erot = 21.6854113323894 | epot = -223.095666904229 | etot = -180.770700653391 +5000 ekin = 20.6295551742564 | erot = 21.7809539301804 | epot = -223.181209757876 | etot = -180.770700653439 +6000 ekin = 20.5959625511847 | erot = 21.8369756530726 | epot = -223.203638857302 | etot = -180.770700653045 +7000 ekin = 20.5431034482069 | erot = 21.8556844173874 | epot = -223.169488517717 | etot = -180.770700652123 +8000 ekin = 20.4774701419093 | erot = 21.8437134145373 | epot = -223.09188420739 | etot = -180.770700650943 +9000 ekin = 20.4074566554239 | erot = 21.8097283692397 | epot = -222.987885674261 | etot = -180.770700649598 +10000 ekin = 20.3427303660297 | erot = 21.7629575866662 | epot = -222.876388600949 | etot = -180.770700648253 +11000 ekin = 20.2927407149578 | erot = 21.7112100845349 | epot = -222.774651446682 | etot = -180.77070064719 +12000 ekin = 20.2665977502213 | erot = 21.6594999867139 | epot = -222.696798383222 | etot = -180.770700646287 +13000 ekin = 20.2733920359447 | erot = 21.6092715397933 | epot = -222.653364221617 | etot = -180.770700645879 +14000 ekin = 20.3196524789069 | erot = 21.5586630974992 | epot = -222.649016222076 | etot = -180.77070064567 +15000 ekin = 20.410400937429 | erot = 21.5031572556307 | epot = -222.684258838858 | etot = -180.770700645799 +16000 ekin = 20.5472869005792 | erot = 21.4346177247041 | epot = -222.752605272037 | etot = -180.770700646753 +17000 ekin = 20.7266657908773 | erot = 21.3426631585218 | epot = -222.840029597232 | etot = -180.770700647833 +18000 ekin = 20.9417612759978 | erot = 21.2178611180927 | epot = -222.930323042998 | etot = -180.770700648907 +19000 ekin = 21.1819308659396 | erot = 21.0532289630294 | epot = -223.005860478921 | etot = -180.770700649952 +20000 ekin = 21.4358169889472 | erot = 20.8473069564707 | epot = -223.053824595387 | etot = -180.77070064997 +21000 ekin = 21.6968513750995 | erot = 20.6066744652585 | epot = -223.074226489837 | etot = -180.770700649479 +22000 ekin = 21.9614458442779 | erot = 20.3429420444508 | epot = -223.075088537371 | etot = -180.770700648642 +23000 ekin = 22.2276099755697 | erot = 20.070338516524 | epot = -223.068649139875 | etot = -180.770700647781 +24000 ekin = 22.4935893196667 | erot = 19.8020671721661 | epot = -223.066357139277 | etot = -180.770700647444 +25000 ekin = 22.756606454822 | erot = 19.5464828008836 | epot = -223.073789902976 | etot = -180.77070064727 +26000 ekin = 23.0126717548391 | erot = 19.3065017718461 | epot = -223.089874174572 | etot = -180.770700647887 +27000 ekin = 23.2550417060586 | erot = 19.0797753474566 | epot = -223.105517701932 | etot = -180.770700648417 +28000 ekin = 23.4774329734797 | erot = 18.8646197299572 | epot = -223.112753352067 | etot = -180.77070064863 +29000 ekin = 23.6747927720654 | erot = 18.6628653411822 | epot = -223.108358761694 | etot = -180.770700648446 +30000 ekin = 23.8432321400238 | erot = 18.4812216983633 | epot = -223.095154486375 | etot = -180.770700647988 +31000 ekin = 23.979304175222 | erot = 18.3307845334015 | epot = -223.08078935577 | etot = -180.770700647146 +32000 ekin = 24.0810246040226 | erot = 18.2261577055998 | epot = -223.077882955919 | etot = -180.770700646297 +33000 ekin = 24.1468986449389 | erot = 18.1820705445401 | epot = -223.09966983514 | etot = -180.770700645661 +34000 ekin = 24.1756615132855 | erot = 18.2103812210167 | epot = -223.156743379607 | etot = -180.770700645304 +35000 ekin = 24.1663193894644 | erot = 18.3185351073563 | epot = -223.255555142089 | etot = -180.770700645269 +36000 ekin = 24.1167205812957 | erot = 18.5091649894184 | epot = -223.396586216223 | etot = -180.770700645509 +37000 ekin = 24.0274860006128 | erot = 18.7785134320987 | epot = -223.576700078937 | etot = -180.770700646226 +38000 ekin = 23.8991479078978 | erot = 19.1166063146994 | epot = -223.786454869891 | etot = -180.770700647293 +39000 ekin = 23.7326911853231 | erot = 19.5069160952493 | epot = -224.010307929336 | etot = -180.770700648764 +40000 ekin = 23.5294223072117 | erot = 19.9254673141828 | epot = -224.225590272293 | etot = -180.770700650899 +41000 ekin = 23.289939614139 | erot = 20.3408097780563 | epot = -224.401450045568 | etot = -180.770700653372 +42000 ekin = 23.0154529235022 | erot = 20.7165619564848 | epot = -224.502715535762 | etot = -180.770700655775 +43000 ekin = 22.7111536814277 | erot = 21.0163895622231 | epot = -224.498243901359 | etot = -180.770700657708 +44000 ekin = 22.3710575806355 | erot = 21.2060371289783 | epot = -224.347795365754 | etot = -180.77070065614 +45000 ekin = 22.0515843162889 | erot = 21.2588026881768 | epot = -224.081087646891 | etot = -180.770700642425 +46000 ekin = 21.7855632553133 | erot = 21.20360137666 | epot = -223.759865260062 | etot = -180.770700628089 +47000 ekin = 21.5167766971456 | erot = 21.0656367023667 | epot = -223.353114011016 | etot = -180.770700611503 +48000 ekin = 21.4540196107333 | erot = 20.8430832424321 | epot = -223.067803499525 | etot = -180.77070064636 +49000 ekin = 21.3647564765274 | erot = 20.5521507191682 | epot = -222.687607816922 | etot = -180.770700621226 +50000 ekin = 21.3125768184617 | erot = 20.2526464671325 | epot = -222.33592390431 | etot = -180.770700618715 +51000 ekin = 21.2949924810834 | erot = 19.9798421626035 | epot = -222.045535260404 | etot = -180.770700616717 +52000 ekin = 21.3137144249679 | erot = 19.7627691343679 | epot = -221.847184173963 | etot = -180.770700614627 +53000 ekin = 21.3664076685099 | erot = 19.6202359856891 | epot = -221.757344279695 | etot = -180.770700625496 +54000 ekin = 21.4214245524052 | erot = 19.5588232319492 | epot = -221.750948393748 | etot = -180.770700609393 +55000 ekin = 21.5995673396082 | erot = 19.580521488567 | epot = -221.950789453583 | etot = -180.770700625408 +56000 ekin = 21.7643125668294 | erot = 19.681604210777 | epot = -222.216617401429 | etot = -180.770700623823 +57000 ekin = 21.922130908443 | erot = 19.8499880475945 | epot = -222.542819582064 | etot = -180.770700626026 +58000 ekin = 22.0666093644375 | erot = 20.0713856445709 | epot = -222.908695636278 | etot = -180.770700627269 +59000 ekin = 22.1910921687932 | erot = 20.3284024096003 | epot = -223.290195207095 | etot = -180.770700628702 +60000 ekin = 22.2920682490219 | erot = 20.6003319531534 | epot = -223.663100832376 | etot = -180.770700630201 +61000 ekin = 22.3680528265772 | erot = 20.8645614198856 | epot = -224.003314878046 | etot = -180.770700631583 +62000 ekin = 22.4198570332617 | erot = 21.0983714926625 | epot = -224.288929158679 | etot = -180.770700632755 +63000 ekin = 22.4500800739905 | erot = 21.2815521440892 | epot = -224.502332851297 | etot = -180.770700633217 +64000 ekin = 22.4634052763968 | erot = 21.3990470998276 | epot = -224.633153009904 | etot = -180.770700633679 +65000 ekin = 22.463988539095 | erot = 21.4413332838523 | epot = -224.676022456448 | etot = -180.770700633501 +66000 ekin = 22.4559522488531 | erot = 21.4074154510864 | epot = -224.634068332759 | etot = -180.770700632819 +67000 ekin = 22.4417384097814 | erot = 21.3051580893563 | epot = -224.517597130739 | etot = -180.770700631601 +68000 ekin = 22.4218785446449 | erot = 21.1490017805243 | epot = -224.341580956061 | etot = -180.770700630892 +69000 ekin = 22.3954651199567 | erot = 20.9555571676359 | epot = -224.121722917264 | etot = -180.770700629671 +70000 ekin = 22.3613349801186 | erot = 20.743354587176 | epot = -223.875390195707 | etot = -180.770700628413 +71000 ekin = 22.3171019087134 | erot = 20.5301141425052 | epot = -223.617916679047 | etot = -180.770700627829 +72000 ekin = 22.2595195485144 | erot = 20.3296309382966 | epot = -223.3598511141 | etot = -180.77070062729 +73000 ekin = 22.1869461213875 | erot = 20.1521902584591 | epot = -223.109837006431 | etot = -180.770700626585 +74000 ekin = 22.0990935565682 | erot = 20.0059494138151 | epot = -222.875743596758 | etot = -180.770700626375 +75000 ekin = 21.9959491639282 | erot = 19.8965902063257 | epot = -222.663239996051 | etot = -180.770700625797 +76000 ekin = 21.8806005890446 | erot = 19.8284243363261 | epot = -222.479725550681 | etot = -180.77070062531 +77000 ekin = 21.759026189981 | erot = 19.8043252195865 | epot = -222.334052034218 | etot = -180.770700624651 +78000 ekin = 21.6392419839505 | erot = 19.8262630279235 | epot = -222.236205635988 | etot = -180.770700624114 +79000 ekin = 21.5302317519718 | erot = 19.8938812521574 | epot = -222.19481362777 | etot = -180.770700623641 +80000 ekin = 21.4402276725659 | erot = 20.0060100278939 | epot = -222.216938324075 | etot = -180.770700623615 +81000 ekin = 21.3741486759857 | erot = 20.1585144791605 | epot = -222.303363779439 | etot = -180.770700624293 +82000 ekin = 21.3325013763506 | erot = 20.3431413542717 | epot = -222.446343355881 | etot = -180.770700625259 +83000 ekin = 21.3128808684039 | erot = 20.5483309907712 | epot = -222.63191248578 | etot = -180.770700626605 +84000 ekin = 21.3107661707932 | erot = 20.7607919785166 | epot = -222.842258777119 | etot = -180.77070062781 +85000 ekin = 21.3216301567279 | erot = 20.9678418539237 | epot = -223.060172639486 | etot = -180.770700628834 +86000 ekin = 21.3400295156725 | erot = 21.1566564817949 | epot = -223.267386627524 | etot = -180.770700630057 +87000 ekin = 21.3617783036995 | erot = 21.3170902458388 | epot = -223.449569179883 | etot = -180.770700630345 +88000 ekin = 21.3873913218413 | erot = 21.4454439910414 | epot = -223.603535942849 | etot = -180.770700629967 +89000 ekin = 21.4215740693994 | erot = 21.5439953706451 | epot = -223.73627006895 | etot = -180.770700628906 +90000 ekin = 21.4723781618096 | erot = 21.6216769093343 | epot = -223.864755698472 | etot = -180.770700627328 +91000 ekin = 21.5494066254725 | erot = 21.6927202486459 | epot = -224.012827499725 | etot = -180.770700625606 +92000 ekin = 21.6619209347601 | erot = 21.7730744493007 | epot = -224.20569600835 | etot = -180.77070062429 +93000 ekin = 21.8158778641474 | erot = 21.8756732628043 | epot = -224.462251750827 | etot = -180.770700623875 +94000 ekin = 22.0110275730999 | erot = 22.0060799403016 | epot = -224.787808138198 | etot = -180.770700624796 +95000 ekin = 22.2387555838384 | erot = 22.1596167137185 | epot = -225.169072924291 | etot = -180.770700626735 +96000 ekin = 22.4832444899359 | erot = 22.3220202374394 | epot = -225.575965356876 | etot = -180.770700629501 +97000 ekin = 22.7237276202691 | erot = 22.4720556690115 | epot = -225.966483921719 | etot = -180.770700632439 +98000 ekin = 22.9377647716038 | erot = 22.5858660312271 | epot = -226.294331437119 | etot = -180.770700634288 +99000 ekin = 23.1071231637233 | erot = 22.645741104618 | epot = -226.523564904806 | etot = -180.770700636465 +100000 ekin = 23.2156001924307 | erot = 22.6390310936004 | epot = -226.625331923823 | etot = -180.770700637791 + 100000 0.10528617 -1.5761124 0.044860201 -1.3743901 -1.9205819e-05 1000000 +Loop time of 28.0802 on 4 procs for 100000 steps with 148 atoms + +Performance: 3076.899 tau/day, 3561.226 timesteps/s +99.7% CPU use with 4 MPI tasks x no OpenMP threads + +MPI task timing breakdown: +Section | min time | avg time | max time |%varavg| %total +--------------------------------------------------------------- +Pair | 16.209 | 21.356 | 25.248 | 81.3 | 76.05 +Bond | 0.26072 | 0.26526 | 0.27015 | 0.9 | 0.94 +Neigh | 0.005772 | 0.0058625 | 0.005932 | 0.1 | 0.02 +Comm | 1.7227 | 5.6246 | 10.79 | 158.9 | 20.03 +Output | 0.043943 | 0.046855 | 0.048664 | 0.9 | 0.17 +Modify | 0.54715 | 0.55336 | 0.55902 | 0.7 | 1.97 +Other | | 0.2279 | | | 0.81 + +Nlocal: 37.0000 ave 38 max 36 min +Histogram: 1 0 0 0 0 2 0 0 0 1 +Nghost: 111.000 ave 112 max 110 min +Histogram: 1 0 0 0 0 2 0 0 0 1 +Neighs: 1049.75 ave 1270 max 757 min +Histogram: 1 0 0 1 0 0 0 0 0 2 + +Total # of neighbors = 4199 +Ave neighs/atom = 28.371622 +Ave special neighs/atom = 6.0000000 +Neighbor list builds = 100 +Dangerous builds = 0 + +write_data last_config.${number}.* nocoeff +write_data last_config.5.* nocoeff +System init for write_data ... +#write_restart last_config.${number}.* +Total wall time: 0:00:28 diff --git a/examples/PACKAGES/cgdna/examples/oxDNA2/duplex1/in.duplex1 b/examples/PACKAGES/cgdna/examples/oxDNA2/duplex1/in.duplex1 index 860d5bfdd5..72735fbf5f 100644 --- a/examples/PACKAGES/cgdna/examples/oxDNA2/duplex1/in.duplex1 +++ b/examples/PACKAGES/cgdna/examples/oxDNA2/duplex1/in.duplex1 @@ -8,7 +8,7 @@ units lj dimension 3 -newton off +newton on boundary p p p @@ -69,3 +69,4 @@ dump_modify out format line "%d %d %d %22.15le %22.15le %22.15le %d %d %d %22 run 1000000 write_data last_config.${number}.* nocoeff +#write_restart last_config.${number}.* diff --git a/examples/PACKAGES/cgdna/examples/oxDNA2/duplex1/log.27May21.duplex1.g++.1 b/examples/PACKAGES/cgdna/examples/oxDNA2/duplex1/log.27May21.duplex1.g++.1 deleted file mode 100644 index 40a6f32d18..0000000000 --- a/examples/PACKAGES/cgdna/examples/oxDNA2/duplex1/log.27May21.duplex1.g++.1 +++ /dev/null @@ -1,1180 +0,0 @@ -LAMMPS (27 May 2021) -variable number equal 1 -variable ofreq equal 1000 -variable efreq equal 1000 -variable T equal 0.1 -variable rhos equal 0.2 - -units lj - -dimension 3 - -newton off - -boundary p p p - -atom_style hybrid bond ellipsoid oxdna -WARNING: Atom style hybrid defines both, per-type and per-atom masses; both must be set, but only per-atom masses will be used (../atom_vec_hybrid.cpp:157) -atom_modify sort 0 1.0 - -# Pair interactions require lists of neighbours to be calculated -neighbor 2.0 bin -neigh_modify every 1 delay 0 check yes - -read_data data.duplex1 -Reading data file ... - orthogonal box = (-20.000000 -20.000000 -20.000000) to (20.000000 20.000000 20.000000) - 1 by 1 by 1 MPI processor grid - reading atoms ... - 10 atoms - reading velocities ... - 10 velocities - scanning bonds ... - 2 = max bonds/atom - 10 ellipsoids - reading bonds ... - 8 bonds -Finding 1-2 1-3 1-4 neighbors ... - special bond factors lj: 0 0 0 - special bond factors coul: 0 0 0 - 2 = max # of 1-2 neighbors - 2 = max # of 1-3 neighbors - 2 = max # of 1-4 neighbors - 4 = max # of special neighbors - special bonds CPU = 0.000 seconds - read_data CPU = 0.003 seconds - -set atom * mass 3.1575 -Setting atom values ... - 10 settings made for mass - -group all type 1 4 -10 atoms in group all - -# oxDNA2 bond interactions - FENE backbone -bond_style oxdna2/fene -bond_coeff * 2.0 0.25 0.7564 -special_bonds lj 0 1 1 -Finding 1-2 1-3 1-4 neighbors ... - special bond factors lj: 0 1 1 - special bond factors coul: 0 0 0 - 2 = max # of 1-2 neighbors - 2 = max # of 1-3 neighbors - 2 = max # of 1-4 neighbors - 4 = max # of special neighbors - special bonds CPU = 0.000 seconds - -# oxDNA2 pair interactions -pair_style hybrid/overlay oxdna2/excv oxdna2/stk oxdna2/hbond oxdna2/xstk oxdna2/coaxstk oxdna2/dh -pair_coeff * * oxdna2/excv 2.0 0.7 0.675 2.0 0.515 0.5 2.0 0.33 0.32 -pair_coeff * * oxdna2/stk seqav ${T} 1.3523 2.6717 6.0 0.4 0.9 0.32 0.75 1.3 0 0.8 0.9 0 0.95 0.9 0 0.95 2.0 0.65 2.0 0.65 -pair_coeff * * oxdna2/stk seqav 0.1 1.3523 2.6717 6.0 0.4 0.9 0.32 0.75 1.3 0 0.8 0.9 0 0.95 0.9 0 0.95 2.0 0.65 2.0 0.65 -pair_coeff * * oxdna2/hbond seqav 0.0 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 -pair_coeff 1 4 oxdna2/hbond seqav 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 -pair_coeff 2 3 oxdna2/hbond seqav 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 -pair_coeff * * oxdna2/xstk 47.5 0.575 0.675 0.495 0.655 2.25 0.791592653589793 0.58 1.7 1.0 0.68 1.7 1.0 0.68 1.5 0 0.65 1.7 0.875 0.68 1.7 0.875 0.68 -pair_coeff * * oxdna2/coaxstk 58.5 0.4 0.6 0.22 0.58 2.0 2.891592653589793 0.65 1.3 0 0.8 0.9 0 0.95 0.9 0 0.95 40.0 3.116592653589793 -pair_coeff * * oxdna2/dh ${T} ${rhos} 0.815 -pair_coeff * * oxdna2/dh 0.1 ${rhos} 0.815 -pair_coeff * * oxdna2/dh 0.1 0.2 0.815 - -# NVE ensemble -fix 1 all nve/asphere -#fix 2 all langevin ${T} ${T} 2.5 457145 angmom 10 - -timestep 1e-5 - -#comm_style tiled -fix 3 all balance 1000 1.03 shift xyz 10 1.03 -comm_modify cutoff 3.8 - -compute quat all property/atom quatw quati quatj quatk - -compute erot all erotate/asphere -compute ekin all ke -compute epot all pe -variable erot equal c_erot -variable ekin equal c_ekin -variable epot equal c_epot -variable etot equal c_erot+c_ekin+c_epot -fix 5 all print ${efreq} "$(step) ekin = ${ekin} | erot = ${erot} | epot = ${epot} | etot = ${etot}" screen yes -fix 5 all print 1000 "$(step) ekin = ${ekin} | erot = ${erot} | epot = ${epot} | etot = ${etot}" screen yes - -dump out all custom ${ofreq} out.${number}.lammpstrj id mol type x y z ix iy iz vx vy vz c_quat[1] c_quat[2] c_quat[3] c_quat[4] angmomx angmomy angmomz -dump out all custom 1000 out.${number}.lammpstrj id mol type x y z ix iy iz vx vy vz c_quat[1] c_quat[2] c_quat[3] c_quat[4] angmomx angmomy angmomz -dump out all custom 1000 out.1.lammpstrj id mol type x y z ix iy iz vx vy vz c_quat[1] c_quat[2] c_quat[3] c_quat[4] angmomx angmomy angmomz -dump_modify out sort id -dump_modify out format line "%d %d %d %22.15le %22.15le %22.15le %d %d %d %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le" - -run 1000000 -Neighbor list info ... - update every 1 steps, delay 0 steps, check yes - max neighbors/atom: 2000, page size: 100000 - master list distance cutoff = 5.6389877 - ghost atom cutoff = 5.6389877 - binsize = 2.8194939, bins = 15 15 15 - 5 neighbor lists, perpetual/occasional/extra = 5 0 0 - (1) pair oxdna2/excv, perpetual - attributes: half, newton off - pair build: half/bin/newtoff - stencil: full/bin/3d - bin: standard - (2) pair oxdna2/hbond, perpetual, copy from (1) - attributes: half, newton off - pair build: copy - stencil: none - bin: none - (3) pair oxdna2/xstk, perpetual, copy from (1) - attributes: half, newton off - pair build: copy - stencil: none - bin: none - (4) pair oxdna2/coaxstk, perpetual, copy from (1) - attributes: half, newton off - pair build: copy - stencil: none - bin: none - (5) pair oxdna2/dh, perpetual, copy from (1) - attributes: half, newton off - pair build: copy - stencil: none - bin: none -WARNING: Communication cutoff adjusted to 5.638987723814632 (../comm.cpp:739) -0 ekin = 1.10853632272819 | erot = 2.81573649976629 | epot = -12.298895791142 | etot = -8.37462296864751 -Per MPI rank memory allocation (min/avg/max) = 9.448 | 9.448 | 9.448 Mbytes -Step Temp E_pair E_mol TotEng Press Volume - 0 0.082113802 -1.3370157 0.10712616 -1.1190359 -6.6192825e-05 64000 -1000 ekin = 1.07640077431763 | erot = 2.90684392233817 | epot = -12.357867665527 | etot = -8.37462296887116 -2000 ekin = 1.05363107794411 | erot = 2.99414178935849 | epot = -12.4223958364622 | etot = -8.37462296915965 -3000 ekin = 1.04083382823095 | erot = 3.07274362339771 | epot = -12.4882004210899 | etot = -8.37462296946123 -4000 ekin = 1.03780093165924 | erot = 3.13815143503914 | epot = -12.550575336422 | etot = -8.37462296972364 -5000 ekin = 1.04371581655899 | erot = 3.18681185449856 | epot = -12.6051506409707 | etot = -8.37462296991314 -6000 ekin = 1.05738085799295 | erot = 3.21642353087479 | epot = -12.6484273588876 | etot = -8.37462297001983 -7000 ekin = 1.07739394884042 | erot = 3.22597832036696 | epot = -12.677995239256 | etot = -8.37462297004867 -8000 ekin = 1.10226637472087 | erot = 3.21563966301732 | epot = -12.6925290077505 | etot = -8.37462297001231 -9000 ekin = 1.13051291055326 | erot = 3.18656247631366 | epot = -12.6916983567816 | etot = -8.37462296991465 -10000 ekin = 1.16073704358063 | erot = 3.14076972913372 | epot = -12.6761297424775 | etot = -8.37462296976311 -11000 ekin = 1.19170449380505 | erot = 3.08098965164652 | epot = -12.6473171150236 | etot = -8.37462296957204 -12000 ekin = 1.22238189802729 | erot = 3.01040253468266 | epot = -12.6074074020775 | etot = -8.37462296936753 -13000 ekin = 1.25192691881487 | erot = 2.93230261872824 | epot = -12.5588525067181 | etot = -8.37462296917498 -14000 ekin = 1.27963857618757 | erot = 2.84975156813381 | epot = -12.5040131133432 | etot = -8.37462296902178 -15000 ekin = 1.30489368750123 | erot = 2.76534813925014 | epot = -12.444864795638 | etot = -8.37462296888667 -16000 ekin = 1.32709913751461 | erot = 2.6811818478553 | epot = -12.3829039541517 | etot = -8.37462296878182 -17000 ekin = 1.34568132349844 | erot = 2.5986128569079 | epot = -12.3189171492215 | etot = -8.37462296881515 -18000 ekin = 1.36011712604124 | erot = 2.51802979978579 | epot = -12.2527698947086 | etot = -8.37462296888154 -19000 ekin = 1.3700055901564 | erot = 2.43889875259719 | epot = -12.1835273117078 | etot = -8.37462296895424 -20000 ekin = 1.37516683465212 | erot = 2.36049590954913 | epot = -12.1102857132061 | etot = -8.37462296900481 -21000 ekin = 1.37575335509454 | erot = 2.28221618930094 | epot = -12.0325925134033 | etot = -8.37462296900785 -22000 ekin = 1.37235802310946 | erot = 2.20383846967473 | epot = -11.9508194617285 | etot = -8.37462296894431 -23000 ekin = 1.36610326249347 | erot = 2.12570839352804 | epot = -11.8664346248253 | etot = -8.37462296880382 -24000 ekin = 1.35869525710689 | erot = 2.04881568638621 | epot = -11.7821339120795 | etot = -8.3746229685864 -25000 ekin = 1.35242255125593 | erot = 1.97475968439782 | epot = -11.7018052039589 | etot = -8.37462296830517 -26000 ekin = 1.3500701244009 | erot = 1.90560954362746 | epot = -11.6303026360115 | etot = -8.37462296798316 -27000 ekin = 1.35474332970461 | erot = 1.843676291157 | epot = -11.573042588521 | etot = -8.37462296765941 -28000 ekin = 1.36954369410747 | erot = 1.79121252282618 | epot = -11.5353791843194 | etot = -8.37462296738577 -29000 ekin = 1.39711560919894 | erot = 1.75006009044062 | epot = -11.5217986668613 | etot = -8.37462296722172 -30000 ekin = 1.43911092490998 | erot = 1.72127833748021 | epot = -11.5350122296156 | etot = -8.37462296722543 -31000 ekin = 1.49567630461185 | erot = 1.70480588615783 | epot = -11.5751051582055 | etot = -8.37462296743583 -32000 ekin = 1.56511285114173 | erot = 1.69923538983358 | epot = -11.6389712088327 | etot = -8.37462296785736 -33000 ekin = 1.64385110263233 | erot = 1.70198396265071 | epot = -11.7204580336836 | etot = -8.37462296840058 -34000 ekin = 1.72681002365018 | erot = 1.70946314344897 | epot = -11.8108961361853 | etot = -8.37462296908617 -35000 ekin = 1.80812188596362 | erot = 1.71712980816865 | epot = -11.8998746638723 | etot = -8.37462296974008 -36000 ekin = 1.88201893971536 | erot = 1.72067857993906 | epot = -11.9773204899106 | etot = -8.37462297025618 -37000 ekin = 1.94364733336808 | erot = 1.71680208569968 | epot = -12.0350723896309 | etot = -8.37462297056312 -38000 ekin = 1.98961498615624 | erot = 1.70370907929488 | epot = -12.0679470360927 | etot = -8.37462297064162 -39000 ekin = 2.01818359901078 | erot = 1.68126711282219 | epot = -12.0740736823535 | etot = -8.37462297052053 -40000 ekin = 2.02914332282544 | erot = 1.65077260628057 | epot = -12.0545388993641 | etot = -8.37462297025811 -41000 ekin = 2.02349103018079 | erot = 1.61448262351112 | epot = -12.012596623611 | etot = -8.37462296991906 -42000 ekin = 2.00304412554487 | erot = 1.57509121259578 | epot = -11.9527583076989 | etot = -8.37462296955829 -43000 ekin = 1.97008148028931 | erot = 1.5352951062099 | epot = -11.8799995557137 | etot = -8.3746229692145 -44000 ekin = 1.92705109571046 | erot = 1.49750726070831 | epot = -11.7991813253589 | etot = -8.37462296894018 -45000 ekin = 1.87634986385838 | erot = 1.46354390598906 | epot = -11.714516738533 | etot = -8.37462296868559 -46000 ekin = 1.82016797429729 | erot = 1.43491031451222 | epot = -11.6297012572909 | etot = -8.37462296848134 -47000 ekin = 1.76039182008996 | erot = 1.41286016407003 | epot = -11.547874952484 | etot = -8.37462296832397 -48000 ekin = 1.69856949274756 | erot = 1.39838217522426 | epot = -11.4715746361766 | etot = -8.37462296820476 -49000 ekin = 1.6359395498873 | erot = 1.39228918140578 | epot = -11.4028516994048 | etot = -8.3746229681117 -50000 ekin = 1.57351801537284 | erot = 1.39530041169494 | epot = -11.3434413950981 | etot = -8.3746229680303 -51000 ekin = 1.51222872476346 | erot = 1.4081065034094 | epot = -11.2949581961199 | etot = -8.37462296794708 -52000 ekin = 1.45305245526488 | erot = 1.43140550730923 | epot = -11.2590809304256 | etot = -8.37462296785148 -53000 ekin = 1.39716366086918 | erot = 1.46589567493528 | epot = -11.2376823035411 | etot = -8.37462296773665 -54000 ekin = 1.34602153837048 | erot = 1.51222067984183 | epot = -11.2328651858297 | etot = -8.37462296761741 -55000 ekin = 1.30138436197332 | erot = 1.57077970891813 | epot = -11.2467870384006 | etot = -8.37462296750915 -56000 ekin = 1.26522647192232 | erot = 1.64151101613074 | epot = -11.2813604554939 | etot = -8.37462296744087 -57000 ekin = 1.23956119808438 | erot = 1.72363092633029 | epot = -11.3378150918591 | etot = -8.37462296744439 -58000 ekin = 1.22620283906727 | erot = 1.81539828229233 | epot = -11.4162240889033 | etot = -8.37462296754372 -59000 ekin = 1.22652758768649 | erot = 1.91400381193543 | epot = -11.5151543673676 | etot = -8.3746229677457 -60000 ekin = 1.24129579501614 | erot = 2.01564970996737 | epot = -11.6315684730213 | etot = -8.37462296803774 -61000 ekin = 1.27057003505313 | erot = 2.11581304358667 | epot = -11.7610060470473 | etot = -8.37462296840752 -62000 ekin = 1.31372115356086 | erot = 2.20955642503246 | epot = -11.897900547387 | etot = -8.37462296879367 -63000 ekin = 1.36947667734256 | erot = 2.29224896410234 | epot = -12.0363486106154 | etot = -8.37462296917045 -64000 ekin = 1.43596184816363 | erot = 2.35998108781807 | epot = -12.1705659055152 | etot = -8.37462296953351 -65000 ekin = 1.5108757081497 | erot = 2.40947275989094 | epot = -12.294971437873 | etot = -8.37462296983238 -66000 ekin = 1.59162978656338 | erot = 2.43872351537734 | epot = -12.404976271986 | etot = -8.37462297004532 -67000 ekin = 1.67546349074575 | erot = 2.44726186999253 | epot = -12.4973483309005 | etot = -8.37462297016222 -68000 ekin = 1.75953613825207 | erot = 2.43621057967594 | epot = -12.5703696881156 | etot = -8.37462297018761 -69000 ekin = 1.8409820145657 | erot = 2.40815676459641 | epot = -12.6237617493038 | etot = -8.37462297014167 -70000 ekin = 1.91692810522254 | erot = 2.36682660300832 | epot = -12.6583776782868 | etot = -8.3746229700559 -71000 ekin = 1.98449380473024 | erot = 2.31661131420487 | epot = -12.6757280888525 | etot = -8.37462296991744 -72000 ekin = 2.04081287193494 | erot = 2.2621517448767 | epot = -12.6775875867425 | etot = -8.37462296993089 -73000 ekin = 2.08263291328339 | erot = 2.20743363864179 | epot = -12.6646895218717 | etot = -8.37462296994653 -74000 ekin = 2.10698584150827 | erot = 2.1554442111836 | epot = -12.6370530226944 | etot = -8.37462297000255 -75000 ekin = 2.11136525908709 | erot = 2.10816940675056 | epot = -12.5941576359036 | etot = -8.37462297006593 -76000 ekin = 2.09405873141391 | erot = 2.06669472630755 | epot = -12.5353764278111 | etot = -8.37462297008964 -77000 ekin = 2.05455135347899 | erot = 2.03147933575638 | epot = -12.4606536592624 | etot = -8.37462297002701 -78000 ekin = 1.99386684227691 | erot = 2.00268171013299 | epot = -12.3711715222583 | etot = -8.3746229698484 -79000 ekin = 1.91474155283386 | erot = 1.98040758803641 | epot = -12.2697721104228 | etot = -8.37462296955254 -80000 ekin = 1.82155513477568 | erot = 1.96479734780215 | epot = -12.1609754517456 | etot = -8.37462296916772 -81000 ekin = 1.71999782481688 | erot = 1.95595086125337 | epot = -12.0505716548135 | etot = -8.37462296874324 -82000 ekin = 1.61651478139495 | erot = 1.95375810375255 | epot = -11.9448958534856 | etot = -8.37462296833808 -83000 ekin = 1.51761134750077 | erot = 1.95772774860624 | epot = -11.849962064116 | etot = -8.37462296800896 -84000 ekin = 1.42912416355164 | erot = 1.96688313409186 | epot = -11.7706302654422 | etot = -8.37462296779872 -85000 ekin = 1.35556895555394 | erot = 1.97976517498667 | epot = -11.7099570982742 | etot = -8.37462296773356 -86000 ekin = 1.29966988136843 | erot = 1.9945259327168 | epot = -11.6688187819008 | etot = -8.3746229678156 -87000 ekin = 1.26213747948961 | erot = 2.00910214170766 | epot = -11.6458625892977 | etot = -8.37462296810046 -88000 ekin = 1.24134500163864 | erot = 2.02122064243447 | epot = -11.6371886124844 | etot = -8.37462296841134 -89000 ekin = 1.23421644947613 | erot = 2.02900530500572 | epot = -11.6378447232195 | etot = -8.37462296873767 -90000 ekin = 1.23690604243568 | erot = 2.03136372571818 | epot = -11.6428927371715 | etot = -8.37462296901763 -91000 ekin = 1.24531053049743 | erot = 2.0281618826182 | epot = -11.6480953823211 | etot = -8.37462296920549 -92000 ekin = 1.25564394227055 | erot = 2.02032873397313 | epot = -11.6505956455252 | etot = -8.37462296928155 -93000 ekin = 1.26484018817412 | erot = 2.00975004471071 | epot = -11.6492132021396 | etot = -8.37462296925479 -94000 ekin = 1.27076152680827 | erot = 1.99896253062538 | epot = -11.6443470265802 | etot = -8.37462296914659 -95000 ekin = 1.27224696211167 | erot = 1.99076889271332 | epot = -11.6376388238183 | etot = -8.3746229689933 -96000 ekin = 1.26905385172905 | erot = 1.98776908505805 | epot = -11.6314459056162 | etot = -8.37462296882913 -97000 ekin = 1.26173398384337 | erot = 1.991961173075 | epot = -11.628318125602 | etot = -8.37462296868366 -98000 ekin = 1.25146122958134 | erot = 2.00445279489023 | epot = -11.630536993053 | etot = -8.37462296858144 -99000 ekin = 1.23981039935403 | erot = 2.02529911459901 | epot = -11.6397324824953 | etot = -8.37462296854225 -100000 ekin = 1.22848889431682 | erot = 2.05346079777977 | epot = -11.6565726606779 | etot = -8.37462296858135 -101000 ekin = 1.21904296342424 | erot = 2.08686922543206 | epot = -11.6805351575627 | etot = -8.37462296870644 -102000 ekin = 1.21258708443141 | erot = 2.1225925765274 | epot = -11.7098026298716 | etot = -8.37462296891277 -103000 ekin = 1.20962138127608 | erot = 2.15710417867626 | epot = -11.7413485291311 | etot = -8.37462296917873 -104000 ekin = 1.20999435064749 | erot = 2.18665201736564 | epot = -11.771269337479 | etot = -8.37462296946586 -105000 ekin = 1.21303379771947 | erot = 2.20771017012415 | epot = -11.795366937567 | etot = -8.37462296972338 -106000 ekin = 1.21781939160538 | erot = 2.21746426398237 | epot = -11.8099066254856 | etot = -8.37462296989788 -107000 ekin = 1.22352668485509 | erot = 2.21425769941227 | epot = -11.8124073542129 | etot = -8.37462296994552 -108000 ekin = 1.22975371616704 | erot = 2.19791821277326 | epot = -11.8022948987813 | etot = -8.37462296984097 -109000 ekin = 1.23675326669533 | erot = 2.16990174522985 | epot = -11.7812779815083 | etot = -8.37462296958308 -110000 ekin = 1.24552660594299 | erot = 2.13322593016575 | epot = -11.7533755053023 | etot = -8.37462296919352 -111000 ekin = 1.25776994928184 | erot = 2.09220325002859 | epot = -11.7245961680235 | etot = -8.37462296871311 -112000 ekin = 1.27568807280472 | erot = 2.05200951342182 | epot = -11.7023205544238 | etot = -8.37462296819728 -113000 ekin = 1.30169744977568 | erot = 2.01813224570247 | epot = -11.6944526631897 | etot = -8.37462296771155 -114000 ekin = 1.33804251858965 | erot = 1.99574344242871 | epot = -11.7084089283453 | etot = -8.37462296732691 -115000 ekin = 1.3864743192956 | erot = 1.98903581447767 | epot = -11.7501331008338 | etot = -8.3746229670605 -116000 ekin = 1.44876446583422 | erot = 2.00047074173015 | epot = -11.8238581746954 | etot = -8.37462296713099 -117000 ekin = 1.52378581535588 | erot = 2.0304433940819 | epot = -11.9288521768893 | etot = -8.37462296745153 -118000 ekin = 1.60840594184218 | erot = 2.07707436259006 | epot = -12.0601032724462 | etot = -8.37462296801394 -119000 ekin = 1.69804077960519 | erot = 2.13624566567623 | epot = -12.2089094140538 | etot = -8.37462296877234 -120000 ekin = 1.78696647862309 | erot = 2.20199105617489 | epot = -12.3635805044449 | etot = -8.37462296964695 -121000 ekin = 1.8688350853633 | erot = 2.2671883740785 | epot = -12.5106464299775 | etot = -8.37462297053566 -122000 ekin = 1.93731263285365 | erot = 2.3244608703497 | epot = -12.6363964745346 | etot = -8.37462297133129 -123000 ekin = 1.98673587945787 | erot = 2.36714489985521 | epot = -12.7285037512515 | etot = -8.37462297193848 -124000 ekin = 2.01268857483479 | erot = 2.39015976226582 | epot = -12.7774713093898 | etot = -8.37462297228923 -125000 ekin = 2.01242153120607 | erot = 2.39062925356809 | epot = -12.7776737571267 | etot = -8.37462297235253 -126000 ekin = 1.9850729032806 | erot = 2.36815351492884 | epot = -12.7278493903458 | etot = -8.37462297213636 -127000 ekin = 1.93167931643392 | erot = 2.3247037563462 | epot = -12.6310060444627 | etot = -8.37462297168258 -128000 ekin = 1.85500076916857 | erot = 2.26419178968054 | epot = -12.4938155299045 | etot = -8.37462297105536 -129000 ekin = 1.75920795598117 | erot = 2.19182812292618 | epot = -12.3256590492356 | etot = -8.37462297032824 -130000 ekin = 1.64949415840167 | erot = 2.11340935726356 | epot = -12.1375264852356 | etot = -8.37462296957032 -131000 ekin = 1.53167143066901 | erot = 2.03466319554018 | epot = -11.9409575950482 | etot = -8.37462296883903 -132000 ekin = 1.41179399813966 | erot = 1.96073697301942 | epot = -11.7471539393353 | etot = -8.37462296817617 -133000 ekin = 1.29582771791034 | erot = 1.89586175533322 | epot = -11.5663124408534 | etot = -8.37462296760984 -134000 ekin = 1.18933366770482 | erot = 1.84313053331036 | epot = -11.4070871682764 | etot = -8.3746229672612 -135000 ekin = 1.0969884576305 | erot = 1.80418246558963 | epot = -11.2757938901604 | etot = -8.37462296694027 -136000 ekin = 1.02270904454082 | erot = 1.77989195852219 | epot = -11.177223969814 | etot = -8.37462296675102 -137000 ekin = 0.969402888595132 | erot = 1.77022137974264 | epot = -11.1142472350352 | etot = -8.37462296669744 -138000 ekin = 0.938766242876429 | erot = 1.77423425797215 | epot = -11.0876234676255 | etot = -8.37462296677695 -139000 ekin = 0.931209536918654 | erot = 1.7902228440359 | epot = -11.09605534793 | etot = -8.37462296697548 -140000 ekin = 0.945902360873794 | erot = 1.81588277986748 | epot = -11.1364081080074 | etot = -8.37462296726613 -141000 ekin = 0.980951010695174 | erot = 1.84854552854051 | epot = -11.2041195068466 | etot = -8.37462296761095 -142000 ekin = 1.03368854660431 | erot = 1.8854617225894 | epot = -11.2937732371599 | etot = -8.37462296796614 -143000 ekin = 1.10102464558803 | erot = 1.92410215903311 | epot = -11.399749772913 | etot = -8.37462296829186 -144000 ekin = 1.17978371180474 | erot = 1.96241851789372 | epot = -11.5168251982595 | etot = -8.37462296856103 -145000 ekin = 1.26696389973277 | erot = 1.99907135517297 | epot = -11.6406582236462 | etot = -8.37462296874049 -146000 ekin = 1.35987698631731 | erot = 2.03338468070453 | epot = -11.767884635915 | etot = -8.37462296889316 -147000 ekin = 1.45616095202988 | erot = 2.06502561999195 | epot = -11.8958095410391 | etot = -8.37462296901725 -148000 ekin = 1.55369685491102 | erot = 2.09388144715374 | epot = -12.0222012712077 | etot = -8.37462296914293 -149000 ekin = 1.65047924324448 | erot = 2.11976671620324 | epot = -12.144868928744 | etot = -8.37462296929627 -150000 ekin = 1.74448791629856 | erot = 2.14217867903557 | epot = -12.2612895648265 | etot = -8.37462296949233 -151000 ekin = 1.83359650490156 | erot = 2.16016451670442 | epot = -12.3683839913408 | etot = -8.37462296973486 -152000 ekin = 1.91553611044675 | erot = 2.17231614291473 | epot = -12.4624752233742 | etot = -8.37462297001268 -153000 ekin = 1.98791755611551 | erot = 2.17689716712717 | epot = -12.5394376935489 | etot = -8.37462297030626 -154000 ekin = 2.04830722999057 | erot = 2.17205709329794 | epot = -12.5949872938789 | etot = -8.37462297059043 -155000 ekin = 2.09434778140682 | erot = 2.15608363214663 | epot = -12.6250543843914 | etot = -8.37462297083792 -156000 ekin = 2.12391577783707 | erot = 2.1276525103985 | epot = -12.6261912592572 | etot = -8.37462297102162 -157000 ekin = 2.13531004697546 | erot = 2.08604574913227 | epot = -12.5959787672234 | etot = -8.37462297111567 -158000 ekin = 2.12746223168591 | erot = 2.03132820631847 | epot = -12.5334134091003 | etot = -8.37462297109587 -159000 ekin = 2.10015103339202 | erot = 1.96448478928986 | epot = -12.4392587936246 | etot = -8.37462297094277 -160000 ekin = 2.05418416063666 | erot = 1.88751839461921 | epot = -12.3163255258998 | etot = -8.37462297064395 -161000 ekin = 1.9914954137128 | erot = 1.8035045715463 | epot = -12.1696229554608 | etot = -8.3746229702017 -162000 ekin = 1.91510266104691 | erot = 1.71656915682352 | epot = -12.0062947875078 | etot = -8.37462296963733 -163000 ekin = 1.82889680262221 | erot = 1.63175766791052 | epot = -11.8352774395238 | etot = -8.37462296899107 -164000 ekin = 1.73727850175354 | erot = 1.55477450557414 | epot = -11.6666759756466 | etot = -8.37462296831894 -165000 ekin = 1.64470875439862 | erot = 1.49159241029551 | epot = -11.5109241323765 | etot = -8.37462296768235 -166000 ekin = 1.55526715399592 | erot = 1.44796523954016 | epot = -11.3778553606754 | etot = -8.37462296713932 -167000 ekin = 1.47230568197329 | erot = 1.42890789301287 | epot = -11.2758365417203 | etot = -8.37462296673419 -168000 ekin = 1.39825202215306 | erot = 1.43822523216022 | epot = -11.2111002208051 | etot = -8.37462296649185 -169000 ekin = 1.33457196190122 | erot = 1.4781674025412 | epot = -11.1873623308595 | etot = -8.37462296641712 -170000 ekin = 1.28186404086284 | erot = 1.54925939136737 | epot = -11.2057463987275 | etot = -8.37462296649732 -171000 ekin = 1.2401053283702 | erot = 1.65031493319935 | epot = -11.2650432281454 | etot = -8.37462296657586 -172000 ekin = 1.20973432363881 | erot = 1.77850842430656 | epot = -11.3628657149171 | etot = -8.37462296697173 -173000 ekin = 1.18958106737809 | erot = 1.92939472681638 | epot = -11.4935987616333 | etot = -8.37462296743887 -174000 ekin = 1.17780375666769 | erot = 2.09752621801765 | epot = -11.6499529426374 | etot = -8.37462296795205 -175000 ekin = 1.172502841069 | erot = 2.27682305293083 | epot = -11.8239488624906 | etot = -8.37462296849078 -176000 ekin = 1.17177313417475 | erot = 2.4608623070369 | epot = -12.0072584102487 | etot = -8.37462296903704 -177000 ekin = 1.17372471418855 | erot = 2.64315812275369 | epot = -12.1915058065138 | etot = -8.37462296957157 -178000 ekin = 1.17649725816031 | erot = 2.81745378599554 | epot = -12.3685740142273 | etot = -8.37462297007148 -179000 ekin = 1.17828959842895 | erot = 2.978038856651 | epot = -12.5309514255901 | etot = -8.37462297051016 -180000 ekin = 1.1774168190097 | erot = 3.12008209304851 | epot = -12.6721218829182 | etot = -8.37462297085996 -181000 ekin = 1.17239479280051 | erot = 3.23994177497926 | epot = -12.7869595388776 | etot = -8.37462297109784 -182000 ekin = 1.16204161674153 | erot = 3.33528346670119 | epot = -12.8719480549258 | etot = -8.37462297148306 -183000 ekin = 1.14544700201154 | erot = 3.40346825728238 | epot = -12.9235382308526 | etot = -8.37462297155868 -184000 ekin = 1.12187454429724 | erot = 3.44382690739155 | epot = -12.9403244231943 | etot = -8.37462297150554 -185000 ekin = 1.09113819766543 | erot = 3.45752421108289 | epot = -12.9232853800831 | etot = -8.37462297133473 -186000 ekin = 1.05375177637538 | erot = 3.44681260248449 | epot = -12.875187349923 | etot = -8.37462297106316 -187000 ekin = 1.01100426926437 | erot = 3.41470705189622 | epot = -12.8003342918707 | etot = -8.37462297071008 -188000 ekin = 0.964980950088416 | erot = 3.3646710615679 | epot = -12.7042749819525 | etot = -8.37462297029614 -189000 ekin = 0.918502012520884 | erot = 3.30025095733202 | epot = -12.5933759397275 | etot = -8.37462296987457 -190000 ekin = 0.874955375625578 | erot = 3.22483721777132 | epot = -12.4744155628185 | etot = -8.37462296942164 -191000 ekin = 0.838012694189871 | erot = 3.14179385100168 | epot = -12.3544295141824 | etot = -8.37462296899086 -192000 ekin = 0.811264586710956 | erot = 3.05421641257334 | epot = -12.240103967897 | etot = -8.37462296861267 -193000 ekin = 0.797833231457478 | erot = 2.96485918306283 | epot = -12.1373153828319 | etot = -8.37462296831157 -194000 ekin = 0.8000323663007 | erot = 2.8761060823658 | epot = -12.0507614167682 | etot = -8.37462296810166 -195000 ekin = 0.819137512919949 | erot = 2.78998115247748 | epot = -11.9837416333827 | etot = -8.37462296798527 -196000 ekin = 0.855301818719506 | erot = 2.70818765526145 | epot = -11.9381124419352 | etot = -8.37462296795424 -197000 ekin = 0.907617485284835 | erot = 2.63215574475436 | epot = -11.9143961980334 | etot = -8.37462296799415 -198000 ekin = 0.974291517584437 | erot = 2.5630762301839 | epot = -11.9119907158566 | etot = -8.37462296808825 -199000 ekin = 1.05288651878785 | erot = 2.50190471363111 | epot = -11.9294142006405 | etot = -8.37462296822155 -200000 ekin = 1.14057530731235 | erot = 2.44933274089527 | epot = -11.9645310165903 | etot = -8.3746229683827 -201000 ekin = 1.23436945655788 | erot = 2.40573577404686 | epot = -12.014728199169 | etot = -8.37462296856431 -202000 ekin = 1.33129982084479 | erot = 2.37111655194145 | epot = -12.0770393415471 | etot = -8.37462296876082 -203000 ekin = 1.42854451444438 | erot = 2.34506402190557 | epot = -12.1482315053184 | etot = -8.37462296896845 -204000 ekin = 1.52351160571861 | erot = 2.32674290434256 | epot = -12.2248774792435 | etot = -8.37462296918235 -205000 ekin = 1.61388837060067 | erot = 2.31491995505467 | epot = -12.3034312950522 | etot = -8.37462296939689 -206000 ekin = 1.69766775260793 | erot = 2.30802500400467 | epot = -12.3803157262182 | etot = -8.37462296960556 -207000 ekin = 1.77315874687841 | erot = 2.304235629839 | epot = -12.4520173465215 | etot = -8.3746229698041 -208000 ekin = 1.83898325555921 | erot = 2.30156289475867 | epot = -12.5151691203033 | etot = -8.37462296998542 -209000 ekin = 1.89406065254659 | erot = 2.2979719308038 | epot = -12.5666555534953 | etot = -8.37462297014489 -210000 ekin = 1.93758171355955 | erot = 2.29149245614579 | epot = -12.6036971399835 | etot = -8.3746229702782 -211000 ekin = 1.9689749967881 | erot = 2.28032999988909 | epot = -12.6239279670585 | etot = -8.37462297038132 -212000 ekin = 1.98787057423958 | erot = 2.26297816329986 | epot = -12.6254717079901 | etot = -8.37462297045065 -213000 ekin = 1.9940661531065 | erot = 2.23834847729582 | epot = -12.6070376008835 | etot = -8.3746229704812 -214000 ekin = 1.98749971048336 | erot = 2.20579329600854 | epot = -12.567915976973 | etot = -8.3746229704811 -215000 ekin = 1.96823269345716 | erot = 2.16512069835608 | epot = -12.5079763622602 | etot = -8.37462297044691 -216000 ekin = 1.93645036858786 | erot = 2.11663233289595 | epot = -12.4277056718667 | etot = -8.37462297038284 -217000 ekin = 1.89249565101132 | erot = 2.06105227365551 | epot = -12.3281708949564 | etot = -8.37462297028959 -218000 ekin = 1.83696296100964 | erot = 1.99944931813356 | epot = -12.2110352493004 | etot = -8.3746229701572 -219000 ekin = 1.770879972 | erot = 1.93321768349748 | epot = -12.0787206254578 | etot = -8.37462296996032 -220000 ekin = 1.69598414200828 | erot = 1.86416918368603 | epot = -11.934776295355 | etot = -8.37462296966072 -221000 ekin = 1.61504938765098 | erot = 1.79472971030249 | epot = -11.7844020671756 | etot = -8.37462296922216 -222000 ekin = 1.53214607792005 | erot = 1.72813764736983 | epot = -11.6349066939257 | etot = -8.37462296863582 -223000 ekin = 1.45266240883154 | erot = 1.66846349300121 | epot = -11.4957488697767 | etot = -8.37462296794391 -224000 ekin = 1.3829329245014 | erot = 1.62027927221262 | epot = -11.3778351639602 | etot = -8.37462296724621 -225000 ekin = 1.32944348952769 | erot = 1.58793473617142 | epot = -11.2920011923817 | etot = -8.37462296668256 -226000 ekin = 1.29777350141005 | erot = 1.57457480049508 | epot = -11.2469712682749 | etot = -8.37462296636975 -227000 ekin = 1.29158711545493 | erot = 1.58136206120122 | epot = -11.2475721430406 | etot = -8.37462296638443 -228000 ekin = 1.31199160550491 | erot = 1.60705168356049 | epot = -11.2936662557523 | etot = -8.37462296668691 -229000 ekin = 1.35720775781583 | erot = 1.64872427968762 | epot = -11.3805550048113 | etot = -8.37462296730786 -230000 ekin = 1.42320705813343 | erot = 1.70117239435478 | epot = -11.4990024205431 | etot = -8.37462296805492 -231000 ekin = 1.50467169677599 | erot = 1.75808746579081 | epot = -11.63738213137 | etot = -8.37462296880323 -232000 ekin = 1.59576180204811 | erot = 1.8134544621678 | epot = -11.783839233675 | etot = -8.3746229694591 -233000 ekin = 1.69077156764799 | erot = 1.86233770608594 | epot = -11.927732243706 | etot = -8.37462296997204 -234000 ekin = 1.78453671679941 | erot = 1.90129507954642 | epot = -12.0604547666796 | etot = -8.37462297033374 -235000 ekin = 1.87261122259007 | erot = 1.92842207171149 | epot = -12.1756562648647 | etot = -8.37462297056318 -236000 ekin = 1.95129507586088 | erot = 1.94312673772435 | epot = -12.2690447842759 | etot = -8.37462297069067 -237000 ekin = 2.01688127570926 | erot = 1.94587838549599 | epot = -12.3373826321093 | etot = -8.37462297090404 -238000 ekin = 2.06554471096663 | erot = 1.93754713481337 | epot = -12.3777148167611 | etot = -8.37462297098108 -239000 ekin = 2.09498833917125 | erot = 1.91896908743882 | epot = -12.3885803976064 | etot = -8.37462297099629 -240000 ekin = 2.10387887335877 | erot = 1.89114067893424 | epot = -12.3696425232252 | etot = -8.37462297093216 -241000 ekin = 2.09205058134759 | erot = 1.8552423277367 | epot = -12.321915879852 | etot = -8.37462297076774 -242000 ekin = 2.06070692356718 | erot = 1.81270484104083 | epot = -12.248034735093 | etot = -8.37462297048499 -243000 ekin = 2.01255526288376 | erot = 1.76529169809243 | epot = -12.1524699310585 | etot = -8.37462297008235 -244000 ekin = 1.95178746173538 | erot = 1.71512317980711 | epot = -12.041533611113 | etot = -8.37462296957053 -245000 ekin = 1.88387514784689 | erot = 1.66462101119848 | epot = -11.9231191280346 | etot = -8.37462296898926 -246000 ekin = 1.81512558267767 | erot = 1.61637080971481 | epot = -11.806119360792 | etot = -8.37462296839955 -247000 ekin = 1.75197548737588 | erot = 1.57289129038633 | epot = -11.6994897456372 | etot = -8.37462296787495 -248000 ekin = 1.70016015194924 | erot = 1.53636641743642 | epot = -11.6111495368734 | etot = -8.3746229674877 -249000 ekin = 1.6640439145432 | erot = 1.50839677555173 | epot = -11.547063657254 | etot = -8.3746229671591 -250000 ekin = 1.64635032469252 | erot = 1.48977166427928 | epot = -11.5107449561771 | etot = -8.37462296720534 -251000 ekin = 1.64670868822438 | erot = 1.48021150770255 | epot = -11.5015431633554 | etot = -8.37462296742851 -252000 ekin = 1.66264181464409 | erot = 1.47871062656292 | epot = -11.5159754089798 | etot = -8.3746229677728 -253000 ekin = 1.69027564040423 | erot = 1.48380069510004 | epot = -11.5486993036762 | etot = -8.37462296817197 -254000 ekin = 1.7250530129175 | erot = 1.49382397147215 | epot = -11.5934999529557 | etot = -8.37462296856602 -255000 ekin = 1.76239471231546 | erot = 1.50720813838016 | epot = -11.6442258196114 | etot = -8.37462296891583 -256000 ekin = 1.79816893498598 | erot = 1.5225925446976 | epot = -11.6953844488857 | etot = -8.37462296920214 -257000 ekin = 1.82895095239721 | erot = 1.5388780186388 | epot = -11.7424519404555 | etot = -8.37462296941948 -258000 ekin = 1.85212386739591 | erot = 1.55528591409769 | epot = -11.7820327510622 | etot = -8.37462296956863 -259000 ekin = 1.86588413888244 | erot = 1.57137656836542 | epot = -11.8118836768989 | etot = -8.37462296965109 -260000 ekin = 1.86922537289895 | erot = 1.58707491263374 | epot = -11.8309232551855 | etot = -8.37462296965279 -261000 ekin = 1.86194745777981 | erot = 1.60277606186329 | epot = -11.8393464893229 | etot = -8.37462296967978 -262000 ekin = 1.84441202421319 | erot = 1.61874454524327 | epot = -11.8377795390076 | etot = -8.37462296955112 -263000 ekin = 1.81775632997628 | erot = 1.63584439963888 | epot = -11.8282236989394 | etot = -8.37462296932421 -264000 ekin = 1.78414336143469 | erot = 1.65581672859378 | epot = -11.8145830590338 | etot = -8.37462296900532 -265000 ekin = 1.74659811333676 | erot = 1.68088156362759 | epot = -11.8021026455962 | etot = -8.37462296863181 -266000 ekin = 1.70875551588599 | erot = 1.7133238753805 | epot = -11.7967023595409 | etot = -8.37462296827444 -267000 ekin = 1.67443624978586 | erot = 1.75501089284454 | epot = -11.8040701106185 | etot = -8.37462296798813 -268000 ekin = 1.64712713207532 | erot = 1.80695733277643 | epot = -11.8287074326929 | etot = -8.37462296784112 -269000 ekin = 1.6294902114269 | erot = 1.8688326756716 | epot = -11.8729458549709 | etot = -8.37462296787235 -270000 ekin = 1.62285159922476 | erot = 1.93872810894267 | epot = -11.9362026762885 | etot = -8.37462296812108 -271000 ekin = 1.62688631043752 | erot = 2.01317767222032 | epot = -12.0146869512058 | etot = -8.37462296854792 -272000 ekin = 1.63981668010417 | erot = 2.08746423747645 | epot = -12.101903886666 | etot = -8.37462296908541 -273000 ekin = 1.65880091169025 | erot = 2.15626799363775 | epot = -12.1896918749694 | etot = -8.37462296964141 -274000 ekin = 1.68050753849916 | erot = 2.21448722130891 | epot = -12.2696177299301 | etot = -8.37462297012202 -275000 ekin = 1.70172643739795 | erot = 2.25805265702223 | epot = -12.3344020648721 | etot = -8.37462297045196 -276000 ekin = 1.71987527696163 | erot = 2.28456562448947 | epot = -12.3790638720394 | etot = -8.37462297058833 -277000 ekin = 1.73331269261594 | erot = 2.2936490566384 | epot = -12.4015847197774 | etot = -8.37462297052306 -278000 ekin = 1.74143735013745 | erot = 2.28698125838951 | epot = -12.4030415787994 | etot = -8.3746229702724 -279000 ekin = 1.74460802870593 | erot = 2.26806682992324 | epot = -12.3872978285229 | etot = -8.37462296989376 -280000 ekin = 1.74394008412442 | erot = 2.2417131405199 | epot = -12.3602761940829 | etot = -8.37462296943857 -281000 ekin = 1.74088698058179 | erot = 2.21312908436347 | epot = -12.3286390340534 | etot = -8.37462296910814 -282000 ekin = 1.73669656458705 | erot = 2.1870420444962 | epot = -12.298361577878 | etot = -8.3746229687948 -283000 ekin = 1.73229007371595 | erot = 2.16744679622899 | epot = -12.2743598385786 | etot = -8.37462296863364 -284000 ekin = 1.72792109204532 | erot = 2.15675164213796 | epot = -12.2592957028516 | etot = -8.37462296866828 -285000 ekin = 1.72297480902855 | erot = 2.15537559427342 | epot = -12.2529733722 | etot = -8.37462296889804 -286000 ekin = 1.71598432453032 | erot = 2.16179000838427 | epot = -12.2523973021715 | etot = -8.37462296925687 -287000 ekin = 1.7049852422032 | erot = 2.17315503013756 | epot = -12.2527632419521 | etot = -8.37462296961137 -288000 ekin = 1.68823578051936 | erot = 2.18649203663189 | epot = -12.2493507869531 | etot = -8.37462296980184 -289000 ekin = 1.66510970376205 | erot = 2.19999055777972 | epot = -12.2397232312613 | etot = -8.37462296971956 -290000 ekin = 1.63674302037981 | erot = 2.2138125269939 | epot = -12.2251785167482 | etot = -8.37462296937453 -291000 ekin = 1.60601874197418 | erot = 2.22992661048372 | epot = -12.210568321354 | etot = -8.37462296889611 -292000 ekin = 1.57682389343772 | erot = 2.25107800691132 | epot = -12.202524868782 | etot = -8.37462296843301 -293000 ekin = 1.55301992418702 | erot = 2.27950943304652 | epot = -12.2071523254134 | etot = -8.37462296817987 -294000 ekin = 1.53731454048192 | erot = 2.31583078837931 | epot = -12.2277682970271 | etot = -8.37462296816589 -295000 ekin = 1.53083265562522 | erot = 2.35873605655334 | epot = -12.2641916805469 | etot = -8.3746229683683 -296000 ekin = 1.53318706455254 | erot = 2.40528084679105 | epot = -12.3130908800621 | etot = -8.37462296871854 -297000 ekin = 1.54281493583633 | erot = 2.45151931863516 | epot = -12.3689572236286 | etot = -8.3746229691571 -298000 ekin = 1.55733608765137 | erot = 2.49306411732002 | epot = -12.4250231746884 | etot = -8.37462296971699 -299000 ekin = 1.57407386288273 | erot = 2.52498633848825 | epot = -12.4736831715342 | etot = -8.37462297016317 -300000 ekin = 1.59001535760035 | erot = 2.54349315182925 | epot = -12.5081314800019 | etot = -8.37462297057228 -301000 ekin = 1.60189886822646 | erot = 2.54585083166253 | epot = -12.522372670814 | etot = -8.37462297092498 -302000 ekin = 1.60620251585633 | erot = 2.53039812867706 | epot = -12.5112236158412 | etot = -8.3746229713078 -303000 ekin = 1.59914065240609 | erot = 2.49598280993848 | epot = -12.4697464340454 | etot = -8.37462297170085 -304000 ekin = 1.57679795693774 | erot = 2.44177332378576 | epot = -12.3931942527979 | etot = -8.37462297207441 -305000 ekin = 1.5357430437406 | erot = 2.36761905414257 | epot = -12.2779850699661 | etot = -8.37462297208297 -306000 ekin = 1.47392866559623 | erot = 2.27453104047954 | epot = -12.1230826782582 | etot = -8.37462297218248 -307000 ekin = 1.39050823398579 | erot = 2.16376504506936 | epot = -11.9288962509199 | etot = -8.37462297186479 -308000 ekin = 1.28961522980587 | erot = 2.03977667258414 | epot = -11.704014870663 | etot = -8.37462296827299 -309000 ekin = 1.05782937493726 | erot = 1.83361716570663 | epot = -11.2660695010504 | etot = -8.37462296040654 -310000 ekin = 1.14450415449027 | erot = 1.58483272602461 | epot = -11.1039598386918 | etot = -8.37462295817693 -311000 ekin = 1.41922601312499 | erot = 1.45460499880737 | epot = -11.2484540448424 | etot = -8.37462303291008 -312000 ekin = 1.45261330232172 | erot = 1.37611906651663 | epot = -11.2033554015522 | etot = -8.37462303271387 -313000 ekin = 1.47884377174092 | erot = 1.31854286229483 | epot = -11.1720096664212 | etot = -8.37462303238549 -314000 ekin = 1.49756299811569 | erot = 1.28320357876914 | epot = -11.1553896088946 | etot = -8.37462303200974 -315000 ekin = 1.5133255918795 | erot = 1.27043025389343 | epot = -11.1583788774962 | etot = -8.37462303172332 -316000 ekin = 1.53080061117965 | erot = 1.27925593275776 | epot = -11.1846795755422 | etot = -8.37462303160482 -317000 ekin = 1.55378721590818 | erot = 1.30719554367529 | epot = -11.2356057912731 | etot = -8.37462303168967 -318000 ekin = 1.58370434541022 | erot = 1.34913652060418 | epot = -11.3074638985375 | etot = -8.37462303252313 -319000 ekin = 1.61943484148194 | erot = 1.39801478359267 | epot = -11.3920726581923 | etot = -8.37462303311765 -320000 ekin = 1.65864783760463 | erot = 1.4469667045907 | epot = -11.4802375759964 | etot = -8.37462303380111 -321000 ekin = 1.69766983847277 | erot = 1.48920524279054 | epot = -11.5614981157279 | etot = -8.37462303446459 -322000 ekin = 1.73222385845994 | erot = 1.51888544570707 | epot = -11.6257323391487 | etot = -8.37462303498174 -323000 ekin = 1.75834700852269 | erot = 1.5320295663078 | epot = -11.6649996100692 | etot = -8.3746230352387 -324000 ekin = 1.77324650046275 | erot = 1.527325970295 | epot = -11.6751955059261 | etot = -8.37462303516836 -325000 ekin = 1.77583924216909 | erot = 1.50655389358412 | epot = -11.6570161705536 | etot = -8.37462303480044 -326000 ekin = 1.76682929376801 | erot = 1.4743692828387 | epot = -11.6158216107552 | etot = -8.37462303414854 -327000 ekin = 1.74834602231056 | erot = 1.43794367202714 | epot = -11.5609127276985 | etot = -8.37462303336079 -328000 ekin = 1.72331109821159 | erot = 1.4057861507968 | epot = -11.5037202815765 | etot = -8.37462303256808 -329000 ekin = 1.69488797673298 | erot = 1.38635580023326 | epot = -11.4558668088437 | etot = -8.37462303187749 -330000 ekin = 1.66566513334673 | erot = 1.38702252391911 | epot = -11.4273106886487 | etot = -8.37462303138284 -331000 ekin = 1.63732185166116 | erot = 1.41331220646656 | epot = -11.4252570892342 | etot = -8.37462303110653 -332000 ekin = 1.61073968003925 | erot = 1.46826665363495 | epot = -11.4536293647312 | etot = -8.37462303105704 -333000 ekin = 1.58605232106421 | erot = 1.55220559043142 | epot = -11.5128809427296 | etot = -8.374623031234 -334000 ekin = 1.56284415922255 | erot = 1.66255678080467 | epot = -11.6000239716181 | etot = -8.3746230315909 -335000 ekin = 1.54014240613746 | erot = 1.79443783502769 | epot = -11.7092032732466 | etot = -8.37462303208149 -336000 ekin = 1.5167045521654 | erot = 1.94117931563276 | epot = -11.8325069004476 | etot = -8.37462303264939 -337000 ekin = 1.49128277555466 | erot = 2.09492414345266 | epot = -11.9608299522427 | etot = -8.37462303323541 -338000 ekin = 1.46282625482966 | erot = 2.24735936520935 | epot = -12.0848086538225 | etot = -8.37462303378349 -339000 ekin = 1.43063896798238 | erot = 2.39044100153427 | epot = -12.1957030037644 | etot = -8.37462303424774 -340000 ekin = 1.39448012483961 | erot = 2.51702660359023 | epot = -12.286129763026 | etot = -8.37462303459616 -341000 ekin = 1.35460313822188 | erot = 2.62135284037471 | epot = -12.3505790134085 | etot = -8.37462303481193 -342000 ekin = 1.31173936862989 | erot = 2.6993354674974 | epot = -12.385697871018 | etot = -8.37462303489068 -343000 ekin = 1.26704159860185 | erot = 2.74871044551789 | epot = -12.390375078956 | etot = -8.3746230348363 -344000 ekin = 1.22200654509462 | erot = 2.76906107654609 | epot = -12.3656906562964 | etot = -8.3746230346557 -345000 ekin = 1.17839357225679 | erot = 2.76177689465574 | epot = -12.3147935012701 | etot = -8.37462303435761 -346000 ekin = 1.138147305603 | erot = 2.72996678569899 | epot = -12.2427371252559 | etot = -8.37462303395393 -347000 ekin = 1.10331757839138 | erot = 2.67831421954011 | epot = -12.1562548313951 | etot = -8.37462303346366 -348000 ekin = 1.07595787263665 | erot = 2.61283600667709 | epot = -12.0634169122315 | etot = -8.3746230329178 -349000 ekin = 1.05798147191731 | erot = 2.54050407789471 | epot = -11.9731085821735 | etot = -8.37462303236147 -350000 ekin = 1.05096760963782 | erot = 2.46871550808049 | epot = -11.8943061495698 | etot = -8.37462303185146 -351000 ekin = 1.05593437429307 | erot = 2.40463774698071 | epot = -11.835195152722 | etot = -8.37462303144819 -352000 ekin = 1.07311971186488 | erot = 2.35449555191725 | epot = -11.8022382949892 | etot = -8.37462303120707 -353000 ekin = 1.10182415540794 | erot = 2.32288867128265 | epot = -11.7993358578589 | etot = -8.37462303116831 -354000 ekin = 1.14036300464667 | erot = 2.31223409502419 | epot = -11.8272201310211 | etot = -8.37462303135019 -355000 ekin = 1.18615564007855 | erot = 2.32242185962048 | epot = -11.8832005314417 | etot = -8.37462303174267 -356000 ekin = 1.23595386569893 | erot = 2.3507632696423 | epot = -11.9613401676474 | etot = -8.37462303230619 -357000 ekin = 1.28618457758663 | erot = 2.39228504524971 | epot = -12.0530926558099 | etot = -8.37462303297352 -358000 ekin = 1.33335672484066 | erot = 2.44036693764212 | epot = -12.1483466961435 | etot = -8.37462303366069 -359000 ekin = 1.37446611423542 | erot = 2.48763760748948 | epot = -12.2367267560058 | etot = -8.37462303428087 -360000 ekin = 1.40733698540127 | erot = 2.52696891747079 | epot = -12.3089289376308 | etot = -8.37462303475878 -361000 ekin = 1.4308523011713 | erot = 2.55266032656708 | epot = -12.3581356626699 | etot = -8.37462303493157 -362000 ekin = 1.44498023419552 | erot = 2.56161192448358 | epot = -12.3812151936925 | etot = -8.37462303501344 -363000 ekin = 1.45080808015495 | erot = 2.55177253018961 | epot = -12.3772036452513 | etot = -8.37462303490678 -364000 ekin = 1.45046982069976 | erot = 2.52283864584236 | epot = -12.3479315011823 | etot = -8.37462303464013 -365000 ekin = 1.44693366152058 | erot = 2.47609933176612 | epot = -12.2976560275497 | etot = -8.37462303426302 -366000 ekin = 1.44366094468076 | erot = 2.41401126337553 | epot = -12.232295241893 | etot = -8.37462303383673 -367000 ekin = 1.44416618229235 | erot = 2.33969773429608 | epot = -12.1584869500119 | etot = -8.37462303342343 -368000 ekin = 1.45154164412146 | erot = 2.25648465084956 | epot = -12.0826493280447 | etot = -8.37462303307363 -369000 ekin = 1.46802482611129 | erot = 2.16757470029718 | epot = -12.0102225592253 | etot = -8.37462303281687 -370000 ekin = 1.49468484158027 | erot = 2.07591739972967 | epot = -11.9452252739683 | etot = -8.37462303265834 -371000 ekin = 1.53128479294168 | erot = 1.98426522628747 | epot = -11.8901730518125 | etot = -8.37462303258338 -372000 ekin = 1.57634160155693 | erot = 1.8953362606447 | epot = -11.8463008947683 | etot = -8.3746230325667 -373000 ekin = 1.62736107596798 | erot = 1.81196417168749 | epot = -11.8139482802385 | etot = -8.37462303258302 -374000 ekin = 1.68119274504331 | erot = 1.73713269144043 | epot = -11.7929484690969 | etot = -8.37462303261319 -375000 ekin = 1.73444043053021 | erot = 1.6738588433462 | epot = -11.7829223065197 | etot = -8.37462303264332 -376000 ekin = 1.78387586144104 | erot = 1.62497473906303 | epot = -11.7834736331736 | etot = -8.3746230326695 -377000 ekin = 1.82648186092067 | erot = 1.59275354369137 | epot = -11.7938584374905 | etot = -8.37462303287845 -378000 ekin = 1.85889028460924 | erot = 1.57838589666601 | epot = -11.8118992141862 | etot = -8.37462303291091 -379000 ekin = 1.87974734421496 | erot = 1.58231910072796 | epot = -11.836689477891 | etot = -8.37462303294807 -380000 ekin = 1.88876618248049 | erot = 1.60397852042792 | epot = -11.8673677359264 | etot = -8.37462303301795 -381000 ekin = 1.88634387025689 | erot = 1.64162253507626 | epot = -11.9025894384718 | etot = -8.37462303313868 -382000 ekin = 1.87329602400055 | erot = 1.69239968364273 | epot = -11.9403187409512 | etot = -8.37462303330791 -383000 ekin = 1.85067766912144 | erot = 1.75260724973921 | epot = -11.9779079523646 | etot = -8.37462303350392 -384000 ekin = 1.81972884480806 | erot = 1.81808771260978 | epot = -12.012439591111 | etot = -8.37462303369321 -385000 ekin = 1.78192764777056 | erot = 1.8846313378667 | epot = -12.0411820195031 | etot = -8.37462303386585 -386000 ekin = 1.73896117301595 | erot = 1.94830024178108 | epot = -12.0618844487812 | etot = -8.37462303398414 -387000 ekin = 1.69261703956643 | erot = 2.00550933075303 | epot = -12.0727494044575 | etot = -8.37462303413803 -388000 ekin = 1.64442362565025 | erot = 2.0529026228811 | epot = -12.0719492828224 | etot = -8.3746230342911 -389000 ekin = 1.59562809726278 | erot = 2.08769097010042 | epot = -12.0579421017184 | etot = -8.37462303435517 -390000 ekin = 1.5472725807875 | erot = 2.10804034821809 | epot = -12.0299359634129 | etot = -8.37462303440729 -391000 ekin = 1.5004266868921 | erot = 2.11301685840023 | epot = -11.9880665795734 | etot = -8.37462303428111 -392000 ekin = 1.45669956782618 | erot = 2.1035261208382 | epot = -11.9348487226024 | etot = -8.37462303393806 -393000 ekin = 1.41857599109023 | erot = 2.08263213471356 | epot = -11.8758311591984 | etot = -8.37462303339458 -394000 ekin = 1.38932612627842 | erot = 2.05528425943449 | epot = -11.8192334184613 | etot = -8.37462303274838 -395000 ekin = 1.37246101478418 | erot = 2.02739319427218 | epot = -11.7744772412151 | etot = -8.37462303215879 -396000 ekin = 1.37078907987889 | erot = 2.00445159240655 | epot = -11.7498637040821 | etot = -8.37462303179663 -397000 ekin = 1.38538853999933 | erot = 1.99011302537629 | epot = -11.7501245971573 | etot = -8.37462303178166 -398000 ekin = 1.41490531161691 | erot = 1.98519641778415 | epot = -11.7747247615395 | etot = -8.37462303213847 -399000 ekin = 1.45547085036333 | erot = 1.98743025594793 | epot = -11.8175241391056 | etot = -8.37462303279433 -400000 ekin = 1.50126526406653 | erot = 1.99196444869351 | epot = -11.8678527463725 | etot = -8.37462303361247 -401000 ekin = 1.54549713891542 | erot = 1.99242148352483 | epot = -11.912541656877 | etot = -8.37462303443675 -402000 ekin = 1.58148802753443 | erot = 1.98217540610616 | epot = -11.938286468762 | etot = -8.3746230351214 -403000 ekin = 1.60364407572841 | erot = 1.95563446459467 | epot = -11.933901575864 | etot = -8.37462303554094 -404000 ekin = 1.60823718231444 | erot = 1.90940860689033 | epot = -11.8922688248047 | etot = -8.37462303559992 -405000 ekin = 1.59393186875409 | erot = 1.84321418438545 | epot = -11.8117690883972 | etot = -8.37462303525767 -406000 ekin = 1.56197926550456 | erot = 1.76026394072076 | epot = -11.6968662407814 | etot = -8.3746230345561 -407000 ekin = 1.51595319782283 | erot = 1.66689496115242 | epot = -11.557471192596 | etot = -8.37462303362073 -408000 ekin = 1.46103089399037 | erot = 1.57144700034375 | epot = -11.4071009269549 | etot = -8.37462303262082 -409000 ekin = 1.40302353808212 | erot = 1.48274963104999 | epot = -11.2603962008451 | etot = -8.37462303171302 -410000 ekin = 1.34747963365306 | erot = 1.40871679572269 | epot = -11.1308194603667 | etot = -8.37462303099099 -411000 ekin = 1.24142842928015 | erot = 1.36765891027326 | epot = -10.9837103545926 | etot = -8.37462301503915 -412000 ekin = 1.07606206466648 | erot = 1.44463891803928 | epot = -10.8953239884245 | etot = -8.37462300571878 -413000 ekin = 1.04694922469659 | erot = 1.51102600613158 | epot = -10.9325982588146 | etot = -8.37462302798646 -414000 ekin = 1.03606467090415 | erot = 1.52895884328637 | epot = -10.939646542314 | etot = -8.37462302812346 -415000 ekin = 1.03698178422045 | erot = 1.56970634086026 | epot = -10.9813111534882 | etot = -8.37462302840751 -416000 ekin = 1.04842794421751 | erot = 1.63005774223117 | epot = -11.0531087152571 | etot = -8.37462302880839 -417000 ekin = 1.06841333535707 | erot = 1.7057177047907 | epot = -11.148754069442 | etot = -8.37462302929419 -418000 ekin = 1.09444701005145 | erot = 1.7915840530624 | epot = -11.2606540929521 | etot = -8.37462302983822 -419000 ekin = 1.12371544113113 | erot = 1.88200392342396 | epot = -11.380342394971 | etot = -8.37462303041592 -420000 ekin = 1.15322596863779 | erot = 1.97103956947869 | epot = -11.4988885691126 | etot = -8.37462303099611 -421000 ekin = 1.17996638670259 | erot = 2.05281125535568 | epot = -11.6074006735889 | etot = -8.3746230315306 -422000 ekin = 1.20115062981169 | erot = 2.12197272517875 | epot = -11.697746386944 | etot = -8.37462303195353 -423000 ekin = 1.21456879342772 | erot = 2.1742992460712 | epot = -11.7634910716968 | etot = -8.37462303219783 -424000 ekin = 1.21895541018824 | erot = 2.20725430505372 | epot = -11.8008327474647 | etot = -8.37462303222279 -425000 ekin = 1.21420953470763 | erot = 2.22030001430828 | epot = -11.8091325810578 | etot = -8.37462303204189 -426000 ekin = 1.20134505265836 | erot = 2.21476142814857 | epot = -11.7907295125136 | etot = -8.37462303170663 -427000 ekin = 1.18219319315433 | erot = 2.19340434236639 | epot = -11.750220566811 | etot = -8.37462303129028 -428000 ekin = 1.1589992194094 | erot = 2.15981652249787 | epot = -11.6934387727652 | etot = -8.37462303085794 -429000 ekin = 1.13415683500818 | erot = 2.11790831243045 | epot = -11.6266881762552 | etot = -8.37462302881656 -430000 ekin = 1.11403963820984 | erot = 2.07460238347215 | epot = -11.5632650504425 | etot = -8.3746230287605 -431000 ekin = 1.10124843427963 | erot = 2.03325324116058 | epot = -11.5091247042081 | etot = -8.37462302876791 -432000 ekin = 1.09509673682057 | erot = 1.99414694703559 | epot = -11.4638667126922 | etot = -8.37462302883607 -433000 ekin = 1.09463609314626 | erot = 1.95711348582254 | epot = -11.4263726079124 | etot = -8.37462302894363 -434000 ekin = 1.09809472012948 | erot = 1.92111283569859 | epot = -11.3938305852088 | etot = -8.37462302938068 -435000 ekin = 1.10341624338786 | erot = 1.8849214283033 | epot = -11.3629607010965 | etot = -8.37462302940532 -436000 ekin = 1.11020757162794 | erot = 1.84854231975911 | epot = -11.3333729208365 | etot = -8.37462302944944 -437000 ekin = 1.11803889537716 | erot = 1.811869025112 | epot = -11.3045309499975 | etot = -8.37462302950836 -438000 ekin = 1.12642172160203 | erot = 1.77470718111898 | epot = -11.2757519322947 | etot = -8.37462302957371 -439000 ekin = 1.13485148153839 | erot = 1.73686282079475 | epot = -11.2463373319665 | etot = -8.37462302963338 -440000 ekin = 1.14287335820531 | erot = 1.69826079507209 | epot = -11.2157571829496 | etot = -8.37462302967224 -441000 ekin = 1.15016795452965 | erot = 1.65908318343038 | epot = -11.1838741676301 | etot = -8.37462302967003 -442000 ekin = 1.15664284201438 | erot = 1.61992313518235 | epot = -11.1511890068204 | etot = -8.3746230296237 -443000 ekin = 1.16253418068965 | erot = 1.58179210099491 | epot = -11.1189493112069 | etot = -8.37462302952238 -444000 ekin = 1.16846798531214 | erot = 1.54614466613328 | epot = -11.0892356808146 | etot = -8.37462302936922 -445000 ekin = 1.1754682034657 | erot = 1.51479732960997 | epot = -11.064888562255 | etot = -8.37462302917931 -446000 ekin = 1.18488743024638 | erot = 1.48973802088241 | epot = -11.0492484801092 | etot = -8.37462302898043 -447000 ekin = 1.19824347153595 | erot = 1.4728428998055 | epot = -11.0457094001514 | etot = -8.37462302880998 -448000 ekin = 1.21696535091515 | erot = 1.46554765995542 | epot = -11.0571360395813 | etot = -8.3746230287107 -449000 ekin = 1.24207954598512 | erot = 1.46851271093811 | epot = -11.0852152856434 | etot = -8.37462302872015 -450000 ekin = 1.27389445230309 | erot = 1.48136016742249 | epot = -11.1298776485961 | etot = -8.37462302887047 -451000 ekin = 1.31179903842769 | erot = 1.50255470267703 | epot = -11.1889767701153 | etot = -8.37462302901055 -452000 ekin = 1.35460859520352 | erot = 1.52989164327147 | epot = -11.2591232679078 | etot = -8.37462302943281 -453000 ekin = 1.39989469250035 | erot = 1.55983588432727 | epot = -11.334353606767 | etot = -8.37462302993942 -454000 ekin = 1.44437957549523 | erot = 1.58822152329922 | epot = -11.4072241292528 | etot = -8.37462303045837 -455000 ekin = 1.4845601587809 | erot = 1.6110361600437 | epot = -11.4702193497289 | etot = -8.37462303090433 -456000 ekin = 1.51733329615193 | erot = 1.62510652435356 | epot = -11.5170628516963 | etot = -8.37462303119078 -457000 ekin = 1.54029245797498 | erot = 1.62854015385641 | epot = -11.5434556431066 | etot = -8.3746230312752 -458000 ekin = 1.5520978706264 | erot = 1.62122255615416 | epot = -11.5479434578272 | etot = -8.3746230310466 -459000 ekin = 1.55414659187651 | erot = 1.60571991112788 | epot = -11.5344895335874 | etot = -8.374623030583 -460000 ekin = 1.54960099436756 | erot = 1.58640018749771 | epot = -11.5106242118325 | etot = -8.37462302996718 -461000 ekin = 1.5427312422487 | erot = 1.5687225226635 | epot = -11.4860767942378 | etot = -8.37462302932561 -462000 ekin = 1.53795589449098 | erot = 1.55825929919566 | epot = -11.4708382224919 | etot = -8.3746230288053 -463000 ekin = 1.53875903308003 | erot = 1.55959299575772 | epot = -11.4729750573648 | etot = -8.37462302852709 -464000 ekin = 1.54682029511914 | erot = 1.5753418689491 | epot = -11.4967851926244 | etot = -8.37462302855616 -465000 ekin = 1.56162946502592 | erot = 1.60564212072992 | epot = -11.5418946146286 | etot = -8.3746230288728 -466000 ekin = 1.58070265304453 | erot = 1.64822662156104 | epot = -11.6035523039889 | etot = -8.37462302938336 -467000 ekin = 1.60035208027453 | erot = 1.69905719078982 | epot = -11.6740323010127 | etot = -8.37462302994838 -468000 ekin = 1.61673623107485 | erot = 1.75335443246717 | epot = -11.7447136939726 | etot = -8.3746230304306 -469000 ekin = 1.6268308500725 | erot = 1.80670922025587 | epot = -11.8081631010582 | etot = -8.37462303072985 -470000 ekin = 1.62907239972834 | erot = 1.85596584023993 | epot = -11.8596612707767 | etot = -8.37462303080845 -471000 ekin = 1.6235468737331 | erot = 1.8996612917067 | epot = -11.8978311961327 | etot = -8.37462303069291 -472000 ekin = 1.61170510379542 | erot = 1.93800410341002 | epot = -11.9243322376459 | etot = -8.37462303044043 -473000 ekin = 1.59590324450968 | erot = 1.97246730641929 | epot = -11.9429935810559 | etot = -8.37462303012697 -474000 ekin = 1.57886523181254 | erot = 2.00526149881397 | epot = -11.9587497604453 | etot = -8.37462302981875 -475000 ekin = 1.5631207157897 | erot = 2.03882982960363 | epot = -11.9765735749599 | etot = -8.37462302956653 -476000 ekin = 1.55063074695144 | erot = 2.07545668637113 | epot = -12.000710462713 | etot = -8.37462302939048 -477000 ekin = 1.54263588410843 | erot = 2.11704231172457 | epot = -12.0343012251353 | etot = -8.37462302930229 -478000 ekin = 1.53956151542 | erot = 2.16493101565339 | epot = -12.0791155603797 | etot = -8.37462302930633 -479000 ekin = 1.54104337297934 | erot = 2.21977101927583 | epot = -12.1354374216603 | etot = -8.37462302940509 -480000 ekin = 1.54600976096943 | erot = 2.28138261400339 | epot = -12.2020154045693 | etot = -8.37462302959645 -481000 ekin = 1.55280606024705 | erot = 2.34867771788968 | epot = -12.276106808004 | etot = -8.37462302986726 -482000 ekin = 1.55937339634668 | erot = 2.41971772771286 | epot = -12.3537141542443 | etot = -8.37462303018471 -483000 ekin = 1.56350104452631 | erot = 2.49198464322841 | epot = -12.4301087182512 | etot = -8.37462303049648 -484000 ekin = 1.56314467772404 | erot = 2.5628002628049 | epot = -12.5005679712778 | etot = -8.37462303074887 -485000 ekin = 1.556770991892 | erot = 2.62990187864868 | epot = -12.5612959014248 | etot = -8.37462303088411 -486000 ekin = 1.54362230241326 | erot = 2.69196691951159 | epot = -12.6102122528178 | etot = -8.37462303089296 -487000 ekin = 1.52381043791502 | erot = 2.74866369544755 | epot = -12.6470971641617 | etot = -8.37462303079914 -488000 ekin = 1.4982285884388 | erot = 2.8004132279417 | epot = -12.673264847032 | etot = -8.37462303065147 -489000 ekin = 1.46832177710657 | erot = 2.84792010719116 | epot = -12.6908649148011 | etot = -8.37462303050336 -490000 ekin = 1.43580907600636 | erot = 2.89167668868161 | epot = -12.702108795082 | etot = -8.37462303039404 -491000 ekin = 1.40244626498215 | erot = 2.93162068130931 | epot = -12.7086899766309 | etot = -8.37462303033947 -492000 ekin = 1.36987596423187 | erot = 2.96703118868618 | epot = -12.7115301832525 | etot = -8.37462303033448 -493000 ekin = 1.33956200675514 | erot = 2.99664446239282 | epot = -12.7108294995104 | etot = -8.37462303036243 -494000 ekin = 1.3127681632094 | erot = 3.01889804551655 | epot = -12.7062892391336 | etot = -8.37462303040764 -495000 ekin = 1.29052832589674 | erot = 3.0321850552458 | epot = -12.6973364116069 | etot = -8.37462303046436 -496000 ekin = 1.27356858864352 | erot = 3.03502298577767 | epot = -12.6832146049608 | etot = -8.37462303053966 -497000 ekin = 1.26217859738907 | erot = 3.02610963123435 | epot = -12.6629112592685 | etot = -8.37462303064505 -498000 ekin = 1.25609176092381 | erot = 3.00437387242429 | epot = -12.6350886640707 | etot = -8.37462303072259 -499000 ekin = 1.2544843354408 | erot = 2.96925958209446 | epot = -12.598366948399 | etot = -8.37462303086377 -500000 ekin = 1.25592311954903 | erot = 2.92052794168189 | epot = -12.5510740922055 | etot = -8.37462303097461 -501000 ekin = 1.25866262015647 | erot = 2.8587785741333 | epot = -12.4920642252922 | etot = -8.37462303100237 -502000 ekin = 1.26101030104181 | erot = 2.78589367847505 | epot = -12.4215270104235 | etot = -8.37462303090669 -503000 ekin = 1.26168224098181 | erot = 2.7052568626583 | epot = -12.3415621343151 | etot = -8.37462303067498 -504000 ekin = 1.26006875272996 | erot = 2.62162663921943 | epot = -12.2563184222849 | etot = -8.37462303033546 -505000 ekin = 1.2563523063421 | erot = 2.54066101850803 | epot = -12.1716363547703 | etot = -8.37462302992017 -506000 ekin = 1.25147361583197 | erot = 2.46829686832148 | epot = -12.0943935136481 | etot = -8.37462302949467 -507000 ekin = 1.24695832252193 | erot = 2.40991559866156 | epot = -12.0314969503137 | etot = -8.37462302913025 -508000 ekin = 1.24460011261683 | erot = 2.3694758893424 | epot = -11.9886990309695 | etot = -8.37462302901031 -509000 ekin = 1.24584437164862 | erot = 2.34837731731248 | epot = -11.9688447179565 | etot = -8.37462302899536 -510000 ekin = 1.25172041123396 | erot = 2.34550382347595 | epot = -11.9718472639374 | etot = -8.37462302922752 -511000 ekin = 1.26248317250748 | erot = 2.35680066398032 | epot = -11.9939068661986 | etot = -8.37462302971083 -512000 ekin = 1.27739486770219 | erot = 2.37529788848956 | epot = -12.0273157865877 | etot = -8.37462303039595 -513000 ekin = 1.29481021505025 | erot = 2.39185405428493 | epot = -12.061287300512 | etot = -8.37462303117683 -514000 ekin = 1.31250889880472 | erot = 2.39651406027405 | epot = -12.083645990976 | etot = -8.37462303189726 -515000 ekin = 1.32825052581643 | erot = 2.38037057726039 | epot = -12.0832441354532 | etot = -8.37462303237634 -516000 ekin = 1.3404583142908 | erot = 2.3376026799452 | epot = -12.0526840266952 | etot = -8.37462303245918 -517000 ekin = 1.34883924084281 | erot = 2.2671315544432 | epot = -11.9905938273649 | etot = -8.37462303207885 -518000 ekin = 1.3546855068379 | erot = 2.17326127006699 | epot = -11.9025698082024 | etot = -8.37462303129752 -519000 ekin = 1.36067339624163 | erot = 2.06494828515272 | epot = -11.8002447116846 | etot = -8.37462303029026 -520000 ekin = 1.3701858282257 | erot = 1.95390329836254 | epot = -11.6987121558679 | etot = -8.37462302927969 -521000 ekin = 1.38639579380324 | erot = 1.85221057841152 | epot = -11.6132294006765 | etot = -8.37462302846172 -522000 ekin = 1.41141432490604 | erot = 1.77022445533572 | epot = -11.5562618082014 | etot = -8.37462302795968 -523000 ekin = 1.44572356453452 | erot = 1.71520045870416 | epot = -11.5355470510568 | etot = -8.37462302781811 -524000 ekin = 1.48798145409766 | erot = 1.6907300831751 | epot = -11.5533345652892 | etot = -8.37462302801646 -525000 ekin = 1.53517683781733 | erot = 1.69680296063377 | epot = -11.6066028269462 | etot = -8.3746230284951 -526000 ekin = 1.5830490011928 | erot = 1.7302550947518 | epot = -11.68792712512 | etot = -8.37462302917537 -527000 ekin = 1.62665879649449 | erot = 1.78540941263951 | epot = -11.7866912391066 | etot = -8.37462302997259 -528000 ekin = 1.66100783108942 | erot = 1.85480654803319 | epot = -11.8904374099231 | etot = -8.3746230308005 -529000 ekin = 1.68163863412941 | erot = 1.93001159413322 | epot = -11.9862732598311 | etot = -8.37462303156848 -530000 ekin = 1.68518623027426 | erot = 2.00252460865602 | epot = -12.0623338711119 | etot = -8.37462303218164 -531000 ekin = 1.6698605968592 | erot = 2.06478669655893 | epot = -12.1092703259684 | etot = -8.37462303255032 -532000 ekin = 1.63581226896465 | erot = 2.11116679184506 | epot = -12.1216020934215 | etot = -8.37462303261175 -533000 ekin = 1.58529617178035 | erot = 2.13870511838749 | epot = -12.0986243225214 | etot = -8.37462303235352 -534000 ekin = 1.52254564095872 | erot = 2.14737698822834 | epot = -12.0445456610118 | etot = -8.37462303182473 -535000 ekin = 1.45332420577088 | erot = 2.13977370493898 | epot = -11.9677209418336 | etot = -8.37462303112378 -536000 ekin = 1.3842169101196 | erot = 2.12031314070402 | epot = -11.8791530811934 | etot = -8.37462303036976 -537000 ekin = 1.32180342899991 | erot = 2.09425520394401 | epot = -11.7906816626149 | etot = -8.374623029671 -538000 ekin = 1.27187743420623 | erot = 2.06681107588936 | epot = -11.7133115392009 | etot = -8.37462302910533 -539000 ekin = 1.23883846279566 | erot = 2.04251647933663 | epot = -11.6559779708489 | etot = -8.37462302871661 -540000 ekin = 1.22531302703427 | erot = 2.02488499742776 | epot = -11.624821052984 | etot = -8.37462302852195 -541000 ekin = 1.23199882291178 | erot = 2.01625749304625 | epot = -11.622879344481 | etot = -8.37462302852296 -542000 ekin = 1.25769219451191 | erot = 2.0177488049515 | epot = -11.6500640281741 | etot = -8.37462302871065 -543000 ekin = 1.29945731407226 | erot = 2.02924170402388 | epot = -11.703322047163 | etot = -8.37462302906682 -544000 ekin = 1.35291512122218 | erot = 2.0494489332704 | epot = -11.7769870840481 | etot = -8.37462302955557 -545000 ekin = 1.41265384122181 | erot = 2.07611668223509 | epot = -11.8633935535748 | etot = -8.37462303011794 -546000 ekin = 1.47277167575213 | erot = 2.10644216880822 | epot = -11.95383687523 | etot = -8.37462303066964 -547000 ekin = 1.52754093319551 | erot = 2.13770468829054 | epot = -12.0398686526006 | etot = -8.37462303111457 -548000 ekin = 1.57213155238866 | erot = 2.1679823717642 | epot = -12.1147369555217 | etot = -8.37462303136882 -549000 ekin = 1.60327488859432 | erot = 2.1967176749586 | epot = -12.1746155949407 | etot = -8.37462303138776 -550000 ekin = 1.61972434376739 | erot = 2.22489244333346 | epot = -12.2192398182829 | etot = -8.37462303118202 -551000 ekin = 1.62240013870558 | erot = 2.25470593135916 | epot = -12.2517291008786 | etot = -8.37462303081384 -552000 ekin = 1.61417495562477 | erot = 2.28884205646897 | epot = -12.2776400424735 | etot = -8.37462303037974 -553000 ekin = 1.59932782091898 | erot = 2.32954987377534 | epot = -12.3035007246831 | etot = -8.37462302998878 -554000 ekin = 1.58274599066884 | erot = 2.37778817612988 | epot = -12.33515719654 | etot = -8.37462302974128 -555000 ekin = 1.56899856385218 | erot = 2.43263226771529 | epot = -12.3762538612776 | etot = -8.37462302971009 -556000 ekin = 1.56145041157792 | erot = 2.49106505511368 | epot = -12.4271384966165 | etot = -8.37462302992488 -557000 ekin = 1.56197837218861 | erot = 2.54829507223281 | epot = -12.4848964746449 | etot = -8.37462303022351 -558000 ekin = 1.57029216551905 | erot = 2.59810209182053 | epot = -12.543017288208 | etot = -8.37462303086841 -559000 ekin = 1.58339818320946 | erot = 2.63367391511157 | epot = -12.5916951298582 | etot = -8.37462303153717 -560000 ekin = 1.59712770481158 | erot = 2.64904697988329 | epot = -12.6207977168071 | etot = -8.37462303211223 -561000 ekin = 1.60698123343126 | erot = 2.64009683894197 | epot = -12.6217011048625 | etot = -8.37462303248925 -562000 ekin = 1.60896027782199 | erot = 2.6053270012055 | epot = -12.588910311621 | etot = -8.37462303259352 -563000 ekin = 1.60023696633128 | erot = 2.54649193869402 | epot = -12.5213519373447 | etot = -8.37462303231943 -564000 ekin = 1.5795577467728 | erot = 2.46891092806127 | epot = -12.4230917066634 | etot = -8.37462303182932 -565000 ekin = 1.54734561566717 | erot = 2.38031455632009 | epot = -12.302283203096 | etot = -8.37462303110877 -566000 ekin = 1.50554468554437 | erot = 2.29049479450161 | epot = -12.170662510294 | etot = -8.37462303024802 -567000 ekin = 1.45732250665205 | erot = 2.21025028826172 | epot = -12.0421958242637 | etot = -8.37462302934997 -568000 ekin = 1.40671207380879 | erot = 2.15003703753068 | epot = -11.9313721398985 | etot = -8.37462302855905 -569000 ekin = 1.35794157949176 | erot = 2.11775595086852 | epot = -11.8503205583493 | etot = -8.37462302798902 -570000 ekin = 1.31523212119345 | erot = 2.11799693943043 | epot = -11.8078520883711 | etot = -8.37462302774722 -571000 ekin = 1.28243871604929 | erot = 2.15081941192883 | epot = -11.8078811559412 | etot = -8.37462302796304 -572000 ekin = 1.26220633019189 | erot = 2.21027034249732 | epot = -11.8470997013802 | etot = -8.37462302869097 -573000 ekin = 1.25525341535048 | erot = 2.28456705415199 | epot = -11.9144434992935 | etot = -8.374623029791 -574000 ekin = 1.2603025143389 | erot = 2.35813787035989 | epot = -11.9930634156819 | etot = -8.37462303098308 -575000 ekin = 1.27473215622932 | erot = 2.41511328226624 | epot = -12.064468470432 | etot = -8.37462303193646 -576000 ekin = 1.29562562245725 | erot = 2.44294920216337 | epot = -12.1131978571111 | etot = -8.37462303249051 -577000 ekin = 1.32065634431921 | erot = 2.43438586779933 | epot = -12.1296652446954 | etot = -8.37462303257683 -578000 ekin = 1.34847271375288 | erot = 2.38804498568537 | epot = -12.1111407317135 | etot = -8.37462303227527 -579000 ekin = 1.3785964073131 | erot = 2.30759327889104 | epot = -12.060812717933 | etot = -8.37462303172883 -580000 ekin = 1.41115339286351 | erot = 2.20016188411942 | epot = -11.9859383079383 | etot = -8.37462303095539 -581000 ekin = 1.44674776515178 | erot = 2.07475133368168 | epot = -11.8961221291756 | etot = -8.37462303034215 -582000 ekin = 1.48514821810449 | erot = 1.94050793884983 | epot = -11.8002791867467 | etot = -8.37462302979241 -583000 ekin = 1.52576266955587 | erot = 1.80603709651234 | epot = -11.7064227954085 | etot = -8.37462302934027 -584000 ekin = 1.56772288057569 | erot = 1.67887072897741 | epot = -11.6212166385576 | etot = -8.37462302900448 -585000 ekin = 1.60990333959 | erot = 1.56509115871817 | epot = -11.5496175271052 | etot = -8.37462302879703 -586000 ekin = 1.65096359832004 | erot = 1.46905708282314 | epot = -11.4946437098701 | etot = -8.37462302872697 -587000 ekin = 1.68940411634557 | erot = 1.39319741551297 | epot = -11.4572245606556 | etot = -8.37462302879701 -588000 ekin = 1.72364170525932 | erot = 1.33790137442975 | epot = -11.4361661086859 | etot = -8.37462302899679 -589000 ekin = 1.75212209151179 | erot = 1.30158756259632 | epot = -11.4283326833844 | etot = -8.37462302927627 -590000 ekin = 1.77348776905955 | erot = 1.2811198772539 | epot = -11.4292306759299 | etot = -8.37462302961642 -591000 ekin = 1.78679652583224 | erot = 1.27228388602406 | epot = -11.4337034417706 | etot = -8.37462302991428 -592000 ekin = 1.79174476961382 | erot = 1.27074179820008 | epot = -11.4371095979219 | etot = -8.37462303010797 -593000 ekin = 1.78882244318645 | erot = 1.27295060806005 | epot = -11.4363960813917 | etot = -8.3746230301452 -594000 ekin = 1.77931578999229 | erot = 1.27682752829965 | epot = -11.4307663483189 | etot = -8.374623030027 -595000 ekin = 1.76511936071279 | erot = 1.28196044220562 | epot = -11.4217028327175 | etot = -8.37462302979909 -596000 ekin = 1.74839643259039 | erot = 1.28931412525829 | epot = -11.412333587381 | etot = -8.37462302953232 -597000 ekin = 1.73114837529092 | erot = 1.30076368908019 | epot = -11.4065350936671 | etot = -8.37462302929599 -598000 ekin = 1.71482586357245 | erot = 1.31808503745075 | epot = -11.4075339301725 | etot = -8.37462302914929 -599000 ekin = 1.70035612855445 | erot = 1.34256499055983 | epot = -11.4175441481819 | etot = -8.37462302906765 -600000 ekin = 1.68813838896107 | erot = 1.3751840399633 | epot = -11.4379454579702 | etot = -8.3746230290458 -601000 ekin = 1.67802155271563 | erot = 1.41656361607904 | epot = -11.469208197918 | etot = -8.37462302912332 -602000 ekin = 1.66952241262379 | erot = 1.46664302734519 | epot = -11.5107884691324 | etot = -8.37462302916341 -603000 ekin = 1.66207455080118 | erot = 1.52486246590567 | epot = -11.5615600459991 | etot = -8.37462302929223 -604000 ekin = 1.65429274424489 | erot = 1.590907167262 | epot = -11.6198229408988 | etot = -8.37462302939193 -605000 ekin = 1.64513458460594 | erot = 1.66451963176674 | epot = -11.6842772458416 | etot = -8.37462302946896 -606000 ekin = 1.63397297141739 | erot = 1.74533329764429 | epot = -11.7539292986215 | etot = -8.3746230295598 -607000 ekin = 1.62046446185725 | erot = 1.83246852419075 | epot = -11.8275560158114 | etot = -8.37462302976337 -608000 ekin = 1.60415138615021 | erot = 1.92384516554816 | epot = -11.9026195817845 | etot = -8.37462303008612 -609000 ekin = 1.58416607277142 | erot = 2.01562004721302 | epot = -11.9744091506944 | etot = -8.37462303070997 -610000 ekin = 1.55892234884514 | erot = 2.10126039812593 | epot = -12.0348057783745 | etot = -8.37462303140347 -611000 ekin = 1.52586403282323 | erot = 2.17351542350352 | epot = -12.0740024883755 | etot = -8.37462303204871 -612000 ekin = 1.48252796781533 | erot = 2.22604744671485 | epot = -12.0831984469306 | etot = -8.3746230324004 -613000 ekin = 1.42777710478014 | erot = 2.25549715886485 | epot = -12.0578972959114 | etot = -8.37462303226644 -614000 ekin = 1.36284302676326 | erot = 2.26309761368209 | epot = -12.0005636720647 | etot = -8.37462303161936 -615000 ekin = 1.29166682111759 | erot = 2.25472033316523 | epot = -11.9210101848976 | etot = -8.37462303061482 -616000 ekin = 1.22033159945968 | erot = 2.23929049960007 | epot = -11.8342451285656 | etot = -8.37462302950586 -617000 ekin = 1.155853130132 | erot = 2.22643765863302 | epot = -11.7569138172927 | etot = -8.37462302852767 -618000 ekin = 1.10482633868832 | erot = 2.22445549379434 | epot = -11.7039048603104 | etot = -8.37462302782777 -619000 ekin = 1.07233800596013 | erot = 2.23915844396385 | epot = -11.6861194773936 | etot = -8.37462302746959 -620000 ekin = 1.06133969548986 | erot = 2.2735659826601 | epot = -11.709528705565 | etot = -8.374623027415 -621000 ekin = 1.07250328126414 | erot = 2.3282764043813 | epot = -11.7754027132592 | etot = -8.37462302761374 -622000 ekin = 1.10448299244928 | erot = 2.40202886261559 | epot = -11.8811348830575 | etot = -8.37462302799263 -623000 ekin = 1.15443583440785 | erot = 2.49214268563966 | epot = -12.0212015485471 | etot = -8.3746230284996 -624000 ekin = 1.21858504498439 | erot = 2.59479979276155 | epot = -12.1880078668501 | etot = -8.37462302910414 -625000 ekin = 1.29260009293194 | erot = 2.70513041487597 | epot = -12.372353537652 | etot = -8.37462302984404 -626000 ekin = 1.37166908701498 | erot = 2.81669294847561 | epot = -12.5629850662662 | etot = -8.37462303077563 -627000 ekin = 1.45036408326115 | erot = 2.92095656625724 | epot = -12.7459436814224 | etot = -8.37462303190404 -628000 ekin = 1.52265779658279 | erot = 3.00738157699178 | epot = -12.904662406668 | etot = -8.3746230330934 -629000 ekin = 1.58251554245327 | erot = 3.06484099788163 | epot = -13.0219795743839 | etot = -8.37462303404902 -630000 ekin = 1.62514418880813 | erot = 3.0844301442172 | epot = -13.0841973674672 | etot = -8.3746230344419 -631000 ekin = 1.64954255051964 | erot = 3.06336922299513 | epot = -13.0875348072771 | etot = -8.37462303376236 -632000 ekin = 1.65761419154604 | erot = 3.00573585956961 | epot = -13.0379730840977 | etot = -8.37462303298202 -633000 ekin = 1.65174795094001 | erot = 2.91965232775879 | epot = -12.9460233106106 | etot = -8.37462303191181 -634000 ekin = 1.63566753657993 | erot = 2.81604656740854 | epot = -12.8263371348704 | etot = -8.3746230308819 -635000 ekin = 1.61303222684045 | erot = 2.70552755469892 | epot = -12.6931828116458 | etot = -8.37462303010643 -636000 ekin = 1.58646965556035 | erot = 2.59633719497752 | epot = -12.557429880173 | etot = -8.37462302963513 -637000 ekin = 1.55730595136457 | erot = 2.49385627804151 | epot = -12.4257852588047 | etot = -8.37462302939862 -638000 ekin = 1.52584911625177 | erot = 2.40123459740419 | epot = -12.3017067429393 | etot = -8.37462302928338 -639000 ekin = 1.49192497641212 | erot = 2.32043250457117 | epot = -12.1869805101701 | etot = -8.37462302918681 -640000 ekin = 1.45541378442365 | erot = 2.25314232064333 | epot = -12.0831791341094 | etot = -8.37462302904238 -641000 ekin = 1.41664919926913 | erot = 2.2013514425384 | epot = -11.9926236706313 | etot = -8.37462302882371 -642000 ekin = 1.37663135857175 | erot = 2.16751840710212 | epot = -11.9187727942127 | etot = -8.37462302853879 -643000 ekin = 1.33719601643019 | erot = 2.15436138730341 | epot = -11.8661804319142 | etot = -8.37462302818063 -644000 ekin = 1.30095460066691 | erot = 2.16433354913778 | epot = -11.8399111777142 | etot = -8.37462302790954 -645000 ekin = 1.270090477408 | erot = 2.19964354153053 | epot = -11.8443570466463 | etot = -8.37462302770774 -646000 ekin = 1.24673444984115 | erot = 2.26154821905305 | epot = -11.882905696536 | etot = -8.37462302764184 -647000 ekin = 1.23265873216139 | erot = 2.34972644270081 | epot = -11.957008202641 | etot = -8.37462302777877 -648000 ekin = 1.22854704148065 | erot = 2.4614698466935 | epot = -12.0646399168488 | etot = -8.37462302867466 -649000 ekin = 1.23123438276362 | erot = 2.58918284110115 | epot = -12.1950402535038 | etot = -8.37462302963905 -650000 ekin = 1.23733747326776 | erot = 2.72274115030041 | epot = -12.3347016542746 | etot = -8.37462303070646 -651000 ekin = 1.2428991851099 | erot = 2.85114575375234 | epot = -12.4686679705902 | etot = -8.37462303172792 -652000 ekin = 1.24424620799516 | erot = 2.96370857038795 | epot = -12.5825778108466 | etot = -8.37462303246346 -653000 ekin = 1.23918232849174 | erot = 3.05217314602512 | epot = -12.665978507275 | etot = -8.37462303275814 -654000 ekin = 1.22772861476404 | erot = 3.11212236728113 | epot = -12.7144740146641 | etot = -8.37462303261892 -655000 ekin = 1.21201905899399 | erot = 3.1430384085145 | epot = -12.7296804997016 | etot = -8.3746230321931 -656000 ekin = 1.19543744328571 | erot = 3.14720435564434 | epot = -12.7172648305997 | etot = -8.37462303166968 -657000 ekin = 1.18149305106273 | erot = 3.12826014301188 | epot = -12.6843762252587 | etot = -8.3746230311841 -658000 ekin = 1.1729637952008 | erot = 3.09016086422205 | epot = -12.637747690211 | etot = -8.37462303078811 -659000 ekin = 1.17154758057481 | erot = 3.03675236921285 | epot = -12.582922980262 | etot = -8.37462303047435 -660000 ekin = 1.17794903027434 | erot = 2.97172379744642 | epot = -12.5242958579403 | etot = -8.37462303021955 -661000 ekin = 1.19217998580428 | erot = 2.898584368483 | epot = -12.4653873843035 | etot = -8.37462303001626 -662000 ekin = 1.21385724617977 | erot = 2.82043608357939 | epot = -12.4089163596458 | etot = -8.37462302988661 -663000 ekin = 1.24235148672456 | erot = 2.73948706946805 | epot = -12.3564615860731 | etot = -8.37462302988048 -664000 ekin = 1.27672733537829 | erot = 2.65640555000379 | epot = -12.3077559154376 | etot = -8.37462303005548 -665000 ekin = 1.31551337033088 | erot = 2.56977925409993 | epot = -12.2599156548662 | etot = -8.37462303043538 -666000 ekin = 1.35644708325355 | erot = 2.47610382427411 | epot = -12.2071739384913 | etot = -8.37462303096362 -667000 ekin = 1.39640549572063 | erot = 2.37072397309945 | epot = -12.1417525003041 | etot = -8.37462303148401 -668000 ekin = 1.43167926156826 | erot = 2.24978389246305 | epot = -12.0560861858199 | etot = -8.37462303178861 -669000 ekin = 1.45855421041211 | erot = 2.11253877406498 | epot = -11.9457160162009 | etot = -8.3746230317238 -670000 ekin = 1.47395086469066 | erot = 1.96284004635377 | epot = -11.8114139423251 | etot = -8.37462303128072 -671000 ekin = 1.47583917683627 | erot = 1.80887360748426 | epot = -11.6593358149123 | etot = -8.37462303059173 -672000 ekin = 1.46334042173682 | erot = 1.66127989926104 | epot = -11.4992433508357 | etot = -8.37462302983784 -673000 ekin = 1.43665130212456 | erot = 1.53074210398851 | epot = -11.3420164352631 | etot = -8.37462302915007 -674000 ekin = 1.3969614764121 | erot = 1.4261974886013 | epot = -11.1977819935891 | etot = -8.37462302857573 -675000 ekin = 1.34640262234333 | erot = 1.35413730294469 | epot = -11.075162953394 | etot = -8.374623028106 -676000 ekin = 1.28794616800361 | erot = 1.31873912036149 | epot = -10.9813083160869 | etot = -8.37462302772179 -677000 ekin = 1.22516961115493 | erot = 1.32230065786344 | epot = -10.9220932964405 | etot = -8.37462302742212 -678000 ekin = 1.16189722958226 | erot = 1.36556643966811 | epot = -10.9020866964801 | etot = -8.37462302722973 -679000 ekin = 1.10179124612785 | erot = 1.44777635008968 | epot = -10.9241906234036 | etot = -8.37462302718603 -680000 ekin = 1.04797419612216 | erot = 1.56642353037421 | epot = -10.989020753842 | etot = -8.37462302734565 -681000 ekin = 1.00272279864156 | erot = 1.71676662170538 | epot = -11.0941124481172 | etot = -8.37462302777029 -682000 ekin = 0.967238825856131 | erot = 1.89118238727218 | epot = -11.2330442416449 | etot = -8.37462302851656 -683000 ekin = 0.941511133160557 | erot = 2.07856636781375 | epot = -11.3947005305733 | etot = -8.37462302959899 -684000 ekin = 0.924337639173406 | erot = 2.26421473260397 | epot = -11.5631754027141 | etot = -8.37462303093677 -685000 ekin = 0.913629093908953 | erot = 2.43080490187915 | epot = -11.7190570280991 | etot = -8.374623032311 -686000 ekin = 0.907072709288486 | erot = 2.56090643971714 | epot = -11.8426021824021 | etot = -8.37462303339643 -687000 ekin = 0.90302797100111 | erot = 2.64065323918482 | epot = -11.9183042440787 | etot = -8.37462303389278 -688000 ekin = 0.901265997346506 | erot = 2.66315283566604 | epot = -11.9390418666993 | etot = -8.37462303368679 -689000 ekin = 0.903127291409659 | erot = 2.6298992064109 | epot = -11.9076495307323 | etot = -8.37462303291179 -690000 ekin = 0.911003410961509 | erot = 2.54949432632235 | epot = -11.8351207691362 | etot = -8.37462303185234 -691000 ekin = 0.92748229019841 | erot = 2.43458909333036 | epot = -11.7366944143129 | etot = -8.37462303078414 -692000 ekin = 0.954629968085355 | erot = 2.29871133595474 | epot = -11.6279643338871 | etot = -8.37462302984701 -693000 ekin = 0.993689842548604 | erot = 2.15457291081388 | epot = -11.522885782578 | etot = -8.37462302921553 -694000 ekin = 1.04477766676284 | erot = 2.01224824489119 | epot = -11.4316489404321 | etot = -8.37462302877804 -695000 ekin = 1.1071797256016 | erot = 1.87902519875878 | epot = -11.3608279528676 | etot = -8.37462302850724 -696000 ekin = 1.17962988094298 | erot = 1.7602163643183 | epot = -11.3144692736445 | etot = -8.37462302838319 -697000 ekin = 1.26034508067033 | erot = 1.65939331949904 | epot = -11.2943614285653 | etot = -8.37462302839596 -698000 ekin = 1.34700634148091 | erot = 1.57856058320639 | epot = -11.3001899532268 | etot = -8.37462302853948 -699000 ekin = 1.43673776972452 | erot = 1.51829388886829 | epot = -11.3296546873971 | etot = -8.37462302880429 -700000 ekin = 1.52614311404747 | erot = 1.47788597100111 | epot = -11.3786521142188 | etot = -8.37462302917021 -701000 ekin = 1.6111317099382 | erot = 1.45542937143787 | epot = -11.4411841111664 | etot = -8.3746230297903 -702000 ekin = 1.68654811959795 | erot = 1.4477483513988 | epot = -11.5089195013103 | etot = -8.37462303031359 -703000 ekin = 1.74804176728567 | erot = 1.45137774866531 | epot = -11.5740425467016 | etot = -8.37462303075061 -704000 ekin = 1.79223863051376 | erot = 1.46326677106852 | epot = -11.630128432593 | etot = -8.37462303101073 -705000 ekin = 1.81722742450214 | erot = 1.48152907261392 | epot = -11.6733795281517 | etot = -8.37462303103566 -706000 ekin = 1.8228271741102 | erot = 1.50598222607878 | epot = -11.7034324310172 | etot = -8.37462303082821 -707000 ekin = 1.81047570465383 | erot = 1.5382073629024 | epot = -11.723306098011 | etot = -8.37462303045475 -708000 ekin = 1.78276828494797 | erot = 1.58105495038591 | epot = -11.7384462653531 | etot = -8.37462303001919 -709000 ekin = 1.74282721670359 | erot = 1.6377975230453 | epot = -11.7552477693668 | etot = -8.37462302961787 -710000 ekin = 1.69374790021906 | erot = 1.71129566719983 | epot = -11.7796665967243 | etot = -8.37462302930543 -711000 ekin = 1.63830193399443 | erot = 1.80347448194969 | epot = -11.8163994450335 | etot = -8.37462302908935 -712000 ekin = 1.57892460631277 | erot = 1.91516553832439 | epot = -11.8687131735894 | etot = -8.37462302895224 -713000 ekin = 1.51786752129919 | erot = 2.04613993381988 | epot = -11.9386304840018 | etot = -8.37462302888273 -714000 ekin = 1.45734042325113 | erot = 2.1950944154759 | epot = -12.0270578676213 | etot = -8.37462302889423 -715000 ekin = 1.39951776248606 | erot = 2.35946536295234 | epot = -12.1336061544591 | etot = -8.37462302902072 -716000 ekin = 1.34639246829252 | erot = 2.53511986598358 | epot = -12.2561353635767 | etot = -8.37462302930059 -717000 ekin = 1.29955432270148 | erot = 2.71613012099447 | epot = -12.3903074734244 | etot = -8.37462302972844 -718000 ekin = 1.25989829927604 | erot = 2.89465680807183 | epot = -12.5291781377308 | etot = -8.37462303038297 -719000 ekin = 1.22750607429995 | erot = 3.06092665842784 | epot = -12.6630557638775 | etot = -8.37462303114967 -720000 ekin = 1.20188187066595 | erot = 3.2042500666598 | epot = -12.780754969265 | etot = -8.37462303193927 -721000 ekin = 1.18220717983362 | erot = 3.31414882433049 | epot = -12.8709790367814 | etot = -8.37462303261729 -722000 ekin = 1.16774608427129 | erot = 3.38185582435828 | epot = -12.9242249417181 | etot = -8.37462303308856 -723000 ekin = 1.15807318397653 | erot = 3.40183188750504 | epot = -12.934528104623 | etot = -8.37462303314145 -724000 ekin = 1.15381445068158 | erot = 3.3732106752267 | epot = -12.9016481586627 | etot = -8.37462303275442 -725000 ekin = 1.15678266077602 | erot = 3.30036671004676 | epot = -12.8317724028186 | etot = -8.37462303199587 -726000 ekin = 1.16961978298356 | erot = 3.19222682083442 | epot = -12.7364696348445 | etot = -8.37462303102651 -727000 ekin = 1.19513165181247 | erot = 3.06063268781617 | epot = -12.6303873696651 | etot = -8.37462303003647 -728000 ekin = 1.23552066624224 | erot = 2.91835949412842 | epot = -12.5285031895556 | etot = -8.37462302918494 -729000 ekin = 1.29175272909064 | erot = 2.77740116858302 | epot = -12.4437769262429 | etot = -8.37462302856926 -730000 ekin = 1.36319675322324 | erot = 2.64784734354088 | epot = -12.3856671249866 | etot = -8.37462302822252 -731000 ekin = 1.44757535461521 | erot = 2.53736869400637 | epot = -12.3595670767507 | etot = -8.37462302812908 -732000 ekin = 1.54119076309941 | erot = 2.45114849793358 | epot = -12.3669622892793 | etot = -8.37462302824629 -733000 ekin = 1.63933166940199 | erot = 2.39205275840727 | epot = -12.4060074563349 | etot = -8.3746230285256 -734000 ekin = 1.7367368434987 | erot = 2.36087235950094 | epot = -12.4722322319253 | etot = -8.37462302892567 -735000 ekin = 1.82801503458571 | erot = 2.35655963726094 | epot = -12.5591977012579 | etot = -8.37462302941129 -736000 ekin = 1.90799093496242 | erot = 2.37647912513258 | epot = -12.65909309004 | etot = -8.37462302994503 -737000 ekin = 1.97201607373966 | erot = 2.41675065086897 | epot = -12.7633897550843 | etot = -8.37462303047565 -738000 ekin = 2.0163011118576 | erot = 2.47274745432255 | epot = -12.8636715971191 | etot = -8.37462303093893 -739000 ekin = 2.03827941487092 | erot = 2.53972508206351 | epot = -12.9526275282046 | etot = -8.37462303127016 -740000 ekin = 2.03693425612864 | erot = 2.61344505993329 | epot = -13.0250023474896 | etot = -8.3746230314277 -741000 ekin = 2.01297029115351 | erot = 2.69059268985713 | epot = -13.078186012423 | etot = -8.37462303141236 -742000 ekin = 1.96872639115115 | erot = 2.76882566302664 | epot = -13.1121750854493 | etot = -8.37462303127147 -743000 ekin = 1.90780895371444 | erot = 2.8464241150657 | epot = -13.1288560998646 | etot = -8.37462303108442 -744000 ekin = 1.83452633952109 | erot = 2.92167512844415 | epot = -13.1308244989009 | etot = -8.37462303093568 -745000 ekin = 1.75327142724934 | erot = 2.99223326161678 | epot = -13.1201277197533 | etot = -8.37462303088722 -746000 ekin = 1.66800377362302 | erot = 3.05470990305799 | epot = -13.0973367076402 | etot = -8.37462303095923 -747000 ekin = 1.58193446041807 | erot = 3.10466510764443 | epot = -13.0612225991782 | etot = -8.3746230311157 -748000 ekin = 1.49744243756476 | erot = 3.13708170332873 | epot = -13.0091471722143 | etot = -8.37462303132081 -749000 ekin = 1.4161800860188 | erot = 3.14699639332326 | epot = -12.9377995108341 | etot = -8.37462303149206 -750000 ekin = 1.33927892445964 | erot = 3.13031955346188 | epot = -12.844221509496 | etot = -8.37462303157452 -751000 ekin = 1.26755716712032 | erot = 3.08449081841548 | epot = -12.7266710170776 | etot = -8.37462303154178 -752000 ekin = 1.20166403421553 | erot = 3.00876367724781 | epot = -12.5850507428603 | etot = -8.37462303139698 -753000 ekin = 1.1421467145975 | erot = 2.90415589317439 | epot = -12.4209256389321 | etot = -8.37462303116017 -754000 ekin = 1.08946987137478 | erot = 2.77319742895343 | epot = -12.2372903311803 | etot = -8.37462303085211 -755000 ekin = 1.04403390693448 | erot = 2.61963797728167 | epot = -12.0382949147024 | etot = -8.37462303048624 -756000 ekin = 1.00622473319038 | erot = 2.44820898510083 | epot = -11.8290567483599 | etot = -8.37462303006865 -757000 ekin = 0.976498427351097 | erot = 2.26449263382633 | epot = -11.6156140907515 | etot = -8.37462302957403 -758000 ekin = 0.955485081992649 | erot = 2.07490082913346 | epot = -11.4050089401852 | etot = -8.37462302905913 -759000 ekin = 0.943970421441939 | erot = 1.88597944059412 | epot = -11.2045728906054 | etot = -8.37462302856937 -760000 ekin = 0.942943189128097 | erot = 1.70391676484962 | epot = -11.0214829820803 | etot = -8.37462302810259 -761000 ekin = 0.953636819965619 | erot = 1.53434362883715 | epot = -10.8626034764914 | etot = -8.37462302768859 -762000 ekin = 0.977439463713794 | erot = 1.38197793547176 | epot = -10.7340404265378 | etot = -8.37462302735223 -763000 ekin = 1.01575214957308 | erot = 1.25038414093978 | epot = -10.640759317625 | etot = -8.37462302711214 -764000 ekin = 1.06980632715139 | erot = 1.14186552721093 | epot = -10.5862948813436 | etot = -8.37462302698131 -765000 ekin = 1.14045321590852 | erot = 1.05746802222168 | epot = -10.5725442650993 | etot = -8.37462302696907 -766000 ekin = 1.22794009365096 | erot = 0.997057737110112 | epot = -10.5996208578433 | etot = -8.37462302708222 -767000 ekin = 1.33169356854961 | erot = 0.959438204818381 | epot = -10.665754800692 | etot = -8.37462302732404 -768000 ekin = 1.45013707581634 | erot = 0.942489485935241 | epot = -10.7672495894441 | etot = -8.37462302769252 -769000 ekin = 1.58057826605171 | erot = 0.943330765761272 | epot = -10.8985320599891 | etot = -8.37462302817614 -770000 ekin = 1.71920830316226 | erot = 0.958522817508915 | epot = -11.0523541494205 | etot = -8.37462302874933 -771000 ekin = 1.86125297318927 | erot = 0.984329269145668 | epot = -11.2202052717047 | etot = -8.37462302936978 -772000 ekin = 2.00111996073642 | erot = 1.0170654758504 | epot = -11.3928084666644 | etot = -8.37462303007761 -773000 ekin = 2.13179679392591 | erot = 1.05343215414772 | epot = -11.559851978766 | etot = -8.37462303069234 -774000 ekin = 2.24724323873705 | erot = 1.09038833141976 | epot = -11.7122546013449 | etot = -8.37462303118812 -775000 ekin = 2.34263593747183 | erot = 1.12564496608008 | epot = -11.8429039350733 | etot = -8.37462303152139 -776000 ekin = 2.41469510966369 | erot = 1.15782091195961 | epot = -11.9471390533002 | etot = -8.3746230316769 -777000 ekin = 2.46195564508498 | erot = 1.1863859033034 | epot = -12.02296458006 | etot = -8.3746230316716 -778000 ekin = 2.48471522536146 | erot = 1.21145891744711 | epot = -12.0707971743601 | etot = -8.37462303155156 -779000 ekin = 2.48466047806842 | erot = 1.23352809684235 | epot = -12.0928116062876 | etot = -8.3746230313768 -780000 ekin = 2.46428568676977 | erot = 1.25319615838812 | epot = -12.0921048763547 | etot = -8.37462303119683 -781000 ekin = 2.42632307022355 | erot = 1.27107093312904 | epot = -12.0720170343796 | etot = -8.37462303102705 -782000 ekin = 2.37341747179009 | erot = 1.28787882377656 | epot = -12.0359193264081 | etot = -8.37462303084147 -783000 ekin = 2.30815170371706 | erot = 1.304765317757 | epot = -11.9875400520679 | etot = -8.37462303059383 -784000 ekin = 2.23331824904156 | erot = 1.32360971124616 | epot = -11.9315509905402 | etot = -8.37462303025248 -785000 ekin = 2.15217666716759 | erot = 1.34711489735263 | epot = -11.8739145943547 | etot = -8.37462302983446 -786000 ekin = 2.0684394078577 | erot = 1.37850506799186 | epot = -11.8215675052584 | etot = -8.37462302940886 -787000 ekin = 1.98588342004422 | erot = 1.42085370631073 | epot = -11.7813601554306 | etot = -8.37462302907569 -788000 ekin = 1.90769396723903 | erot = 1.47626814207206 | epot = -11.7585851382337 | etot = -8.37462302892266 -789000 ekin = 1.83580155857728 | erot = 1.54525606071479 | epot = -11.7556806482808 | etot = -8.37462302898877 -790000 ekin = 1.77050160314964 | erot = 1.62653131912037 | epot = -11.7716559515175 | etot = -8.37462302924745 -791000 ekin = 1.71053482190253 | erot = 1.71731536906538 | epot = -11.8024732205882 | etot = -8.3746230296203 -792000 ekin = 1.65360852455089 | erot = 1.81397519201844 | epot = -11.8422067465796 | etot = -8.37462303001029 -793000 ekin = 1.59715988493823 | erot = 1.91273671404273 | epot = -11.884519629315 | etot = -8.37462303033406 -794000 ekin = 1.5390946976666 | erot = 2.01023412206034 | epot = -11.9239518502811 | etot = -8.37462303055418 -795000 ekin = 1.47829524950012 | erot = 2.10382941021462 | epot = -11.95674769034 | etot = -8.3746230306253 -796000 ekin = 1.41481662089854 | erot = 2.1919429199428 | epot = -11.9813825714088 | etot = -8.37462303056747 -797000 ekin = 1.34981308249921 | erot = 2.27401207106052 | epot = -11.9984481839615 | etot = -8.37462303040181 -798000 ekin = 1.28529636430919 | erot = 2.35042093010511 | epot = -12.0103403245725 | etot = -8.37462303015818 -799000 ekin = 1.22381948474171 | erot = 2.42233570221676 | epot = -12.0207782168121 | etot = -8.37462302985366 -800000 ekin = 1.16822785386523 | erot = 2.49143438534316 | epot = -12.0342852688226 | etot = -8.37462302961421 -801000 ekin = 1.12099278642861 | erot = 2.55928816630386 | epot = -12.0549039821722 | etot = -8.37462302943968 -802000 ekin = 1.08396505814378 | erot = 2.62689447862849 | epot = -12.0854825661029 | etot = -8.37462302933066 -803000 ekin = 1.05841636960107 | erot = 2.69442631110392 | epot = -12.1274657101638 | etot = -8.37462302945883 -804000 ekin = 1.04426779801405 | erot = 2.76024770980817 | epot = -12.1791385376392 | etot = -8.37462302981701 -805000 ekin = 1.03995925233873 | erot = 2.8204625423412 | epot = -12.2350448251523 | etot = -8.3746230304724 -806000 ekin = 1.04249639914782 | erot = 2.868971630615 | epot = -12.2860910609795 | etot = -8.3746230312167 -807000 ekin = 1.04816653315837 | erot = 2.89850351396173 | epot = -12.3212930790676 | etot = -8.3746230319475 -808000 ekin = 1.05329972431644 | erot = 2.90189493045809 | epot = -12.3298176872629 | etot = -8.37462303248839 -809000 ekin = 1.05511003117154 | erot = 2.87378175152195 | epot = -12.3035148153863 | etot = -8.3746230326928 -810000 ekin = 1.05231348649709 | erot = 2.81208782293652 | epot = -12.2390243420017 | etot = -8.37462303256804 -811000 ekin = 1.04519713626923 | erot = 2.71854122751894 | epot = -12.1383613957977 | etot = -8.37462303200948 -812000 ekin = 1.03556509620897 | erot = 2.59875418167699 | epot = -12.0089423091019 | etot = -8.37462303121595 -813000 ekin = 1.02617370806852 | erot = 2.46123250524441 | epot = -11.8620292436574 | etot = -8.3746230303445 -814000 ekin = 1.01993499389794 | erot = 2.31562695725887 | epot = -11.7101849806859 | etot = -8.37462302952905 -815000 ekin = 1.01938989930336 | erot = 2.17131439138434 | epot = -11.5653273195399 | etot = -8.37462302885224 -816000 ekin = 1.02641070194331 | erot = 2.03643247729264 | epot = -11.4374662075828 | etot = -8.37462302834684 -817000 ekin = 1.04210163740977 | erot = 1.91741411147667 | epot = -11.3341387768999 | etot = -8.37462302801341 -818000 ekin = 1.06685452879859 | erot = 1.81892194067948 | epot = -11.2603994972644 | etot = -8.37462302778628 -819000 ekin = 1.10044073145699 | erot = 1.74396570048553 | epot = -11.2190294597244 | etot = -8.3746230277819 -820000 ekin = 1.14169134058264 | erot = 1.69367065616339 | epot = -11.209985024664 | etot = -8.37462302791799 -821000 ekin = 1.1887755211563 | erot = 1.66758281677124 | epot = -11.2309813661147 | etot = -8.37462302818712 -822000 ekin = 1.2392739420278 | erot = 1.66378494635131 | epot = -11.2776819169559 | etot = -8.37462302857678 -823000 ekin = 1.29027861043584 | erot = 1.67905219550485 | epot = -11.3439538348895 | etot = -8.37462302894885 -824000 ekin = 1.33894050069248 | erot = 1.70948347746399 | epot = -11.4230470076203 | etot = -8.37462302946383 -825000 ekin = 1.38220508273142 | erot = 1.75044253330681 | epot = -11.5072706460139 | etot = -8.37462302997571 -826000 ekin = 1.41710294910242 | erot = 1.79708475166815 | epot = -11.5888107311813 | etot = -8.37462303041076 -827000 ekin = 1.44127249564998 | erot = 1.84518129446667 | epot = -11.6610768208149 | etot = -8.37462303069827 -828000 ekin = 1.4533540911642 | erot = 1.89178230950345 | epot = -11.7197594314557 | etot = -8.37462303078804 -829000 ekin = 1.45330184509344 | erot = 1.93565038631292 | epot = -11.7635752620719 | etot = -8.37462303066558 -830000 ekin = 1.44253588753392 | erot = 1.9773267325445 | epot = -11.794485650436 | etot = -8.37462303035756 -831000 ekin = 1.42321719807599 | erot = 2.01836652049872 | epot = -11.8162067486423 | etot = -8.37462303006758 -832000 ekin = 1.39798324787167 | erot = 2.06093497422121 | epot = -11.8335412516767 | etot = -8.37462302958378 -833000 ekin = 1.37122558103646 | erot = 2.10801499212972 | epot = -11.8538636023317 | etot = -8.37462302916548 -834000 ekin = 1.34739157346164 | erot = 2.16168408583633 | epot = -11.8836986881947 | etot = -8.37462302889676 -835000 ekin = 1.3303315913847 | erot = 2.22243990039652 | epot = -11.9273945206118 | etot = -8.37462302883053 -836000 ekin = 1.32279692350135 | erot = 2.28888168436647 | epot = -11.9863016368478 | etot = -8.37462302898003 -837000 ekin = 1.32614569945851 | erot = 2.35776552714792 | epot = -12.0585342559248 | etot = -8.37462302931836 -838000 ekin = 1.3403008431335 | erot = 2.42442328377153 | epot = -12.1393471566855 | etot = -8.37462302978049 -839000 ekin = 1.36395770572615 | erot = 2.48350186340868 | epot = -12.2220825994075 | etot = -8.3746230302727 -840000 ekin = 1.39499323416485 | erot = 2.52993036126728 | epot = -12.2995466261227 | etot = -8.3746230306906 -841000 ekin = 1.4309851952446 | erot = 2.5599379691765 | epot = -12.3655461953669 | etot = -8.37462303094583 -842000 ekin = 1.46971603973797 | erot = 2.57185321601873 | epot = -12.4161922867525 | etot = -8.37462303099583 -843000 ekin = 1.50953312203309 | erot = 2.56639824287622 | epot = -12.4505543957692 | etot = -8.3746230308599 -844000 ekin = 1.54948222757155 | erot = 2.54631968024369 | epot = -12.4704249384284 | etot = -8.37462303061319 -845000 ekin = 1.58921446589176 | erot = 2.51544731879033 | epot = -12.4792848150393 | etot = -8.3746230303572 -846000 ekin = 1.62874660073068 | erot = 2.47751369443259 | epot = -12.4808833253435 | etot = -8.3746230301802 -847000 ekin = 1.66818957254644 | erot = 2.43516936578449 | epot = -12.4779819684573 | etot = -8.37462303012634 -848000 ekin = 1.70754173431239 | erot = 2.38953851005097 | epot = -12.4717032745479 | etot = -8.37462303018459 -849000 ekin = 1.74659403306287 | erot = 2.34043091651518 | epot = -12.4616479798784 | etot = -8.37462303030032 -850000 ekin = 1.784943458661 | erot = 2.28706007038119 | epot = -12.4466265594454 | etot = -8.37462303040326 -851000 ekin = 1.82207688727397 | erot = 2.22891420063638 | epot = -12.4256141183509 | etot = -8.3746230304405 -852000 ekin = 1.85747606626724 | erot = 2.16637383866683 | epot = -12.3984729353335 | etot = -8.37462303039944 -853000 ekin = 1.8907050121563 | erot = 2.10080168939146 | epot = -12.3661297318568 | etot = -8.37462303030907 -854000 ekin = 1.92146598579636 | erot = 2.03409194239022 | epot = -12.3301809584089 | etot = -8.37462303022237 -855000 ekin = 1.94963553788698 | erot = 1.96792069995479 | epot = -12.2921792680294 | etot = -8.37462303018758 -856000 ekin = 1.97530408452552 | erot = 1.9030603456988 | epot = -12.2529874604489 | etot = -8.37462303022458 -857000 ekin = 1.99898235174316 | erot = 1.83954776717268 | epot = -12.2131531489779 | etot = -8.37462303006203 -858000 ekin = 2.02148966893765 | erot = 1.77712472342805 | epot = -12.1732374225859 | etot = -8.3746230302202 -859000 ekin = 2.0433298481464 | erot = 1.71372610059789 | epot = -12.1316789790802 | etot = -8.37462303033591 -860000 ekin = 2.06530510863403 | erot = 1.64761266618196 | epot = -12.0875408051656 | etot = -8.37462303034964 -861000 ekin = 2.0884404752292 | erot = 1.57839130430766 | epot = -12.0414548097738 | etot = -8.37462303023699 -862000 ekin = 2.1137299687717 | erot = 1.50759861505461 | epot = -11.9959516138508 | etot = -8.37462303002449 -863000 ekin = 2.14175193679679 | erot = 1.43866072802211 | epot = -11.955035694609 | etot = -8.37462302979006 -864000 ekin = 2.17225364143903 | erot = 1.37614575517373 | epot = -11.9230224262489 | etot = -8.37462302963615 -865000 ekin = 2.20389689304711 | erot = 1.32450432847425 | epot = -11.9030242511598 | etot = -8.37462302963841 -866000 ekin = 2.23438769160888 | erot = 1.2868132807046 | epot = -11.8958240017868 | etot = -8.37462302947332 -867000 ekin = 2.26151301831202 | erot = 1.26501341500185 | epot = -11.9011494630726 | etot = -8.37462302975869 -868000 ekin = 2.28295312633628 | erot = 1.2587638566978 | epot = -11.9163400130106 | etot = -8.37462302997656 -869000 ekin = 2.29713139087659 | erot = 1.26636363803292 | epot = -11.9381180589563 | etot = -8.37462303004681 -870000 ekin = 2.30388454565862 | erot = 1.28638972776915 | epot = -11.9648973034159 | etot = -8.37462302998818 -871000 ekin = 2.30409365411982 | erot = 1.31787621263386 | epot = -11.9965928971117 | etot = -8.37462303035806 -872000 ekin = 2.2971245530625 | erot = 1.35930276714358 | epot = -12.0310503505621 | etot = -8.374623030356 -873000 ekin = 2.28274539316158 | erot = 1.40846954678764 | epot = -12.0658379700601 | etot = -8.37462303011093 -874000 ekin = 2.26320703627556 | erot = 1.46277950106351 | epot = -12.1006095675627 | etot = -8.37462303022364 -875000 ekin = 2.24001634728649 | erot = 1.51889022328738 | epot = -12.1335296008657 | etot = -8.37462303029184 -876000 ekin = 2.21430830467283 | erot = 1.57348199615675 | epot = -12.1624133311096 | etot = -8.37462303028 -877000 ekin = 2.1877784857404 | erot = 1.62389020161488 | epot = -12.1862917175065 | etot = -8.37462303015121 -878000 ekin = 2.1625289754819 | erot = 1.6683879309108 | epot = -12.2055399364508 | etot = -8.37462303005814 -879000 ekin = 2.1404475372224 | erot = 1.70571411560852 | epot = -12.2207846828268 | etot = -8.37462302999592 -880000 ekin = 2.12277471003043 | erot = 1.73469967121919 | epot = -12.2320974112781 | etot = -8.3746230300285 -881000 ekin = 2.10977467360334 | erot = 1.75399371448932 | epot = -12.2383914182805 | etot = -8.37462303018783 -882000 ekin = 2.10050164322574 | erot = 1.76187019273892 | epot = -12.2369948664133 | etot = -8.37462303044862 -883000 ekin = 2.09290867712842 | erot = 1.75649694685339 | epot = -12.2240286547005 | etot = -8.37462303071871 -884000 ekin = 2.08433703645374 | erot = 1.73671500456543 | epot = -12.1956750719303 | etot = -8.37462303091116 -885000 ekin = 2.07202901572893 | erot = 1.70282592067543 | epot = -12.1494779673638 | etot = -8.37462303095943 -886000 ekin = 2.05378411491612 | erot = 1.65660476471994 | epot = -12.0850119102728 | etot = -8.37462303063678 -887000 ekin = 2.02874297420968 | erot = 1.60297409541394 | epot = -12.0063400996961 | etot = -8.37462303007244 -888000 ekin = 1.99720256583015 | erot = 1.54912086824504 | epot = -11.9209464635359 | etot = -8.37462302946075 -889000 ekin = 1.95913963735646 | erot = 1.50198702369115 | epot = -11.8357496899733 | etot = -8.37462302892571 -890000 ekin = 1.91617614841857 | erot = 1.46746689325793 | epot = -11.7582660702142 | etot = -8.37462302853769 -891000 ekin = 1.87023137415914 | erot = 1.44931992810307 | epot = -11.694174330589 | etot = -8.37462302832678 -892000 ekin = 1.82316218734495 | erot = 1.44889048228693 | epot = -11.6466756979052 | etot = -8.37462302827332 -893000 ekin = 1.77672781685354 | erot = 1.46538080246141 | epot = -11.6167316476455 | etot = -8.37462302833054 -894000 ekin = 1.73267401007763 | erot = 1.49642015526295 | epot = -11.6037171937795 | etot = -8.37462302843888 -895000 ekin = 1.69287615444225 | erot = 1.53876375542746 | epot = -11.6062629384097 | etot = -8.37462302854004 -896000 ekin = 1.65946528810639 | erot = 1.58897281258665 | epot = -11.6230611292894 | etot = -8.37462302859635 -897000 ekin = 1.63484229162876 | erot = 1.6438981268176 | epot = -11.6533634470444 | etot = -8.37462302859803 -898000 ekin = 1.62150447331762 | erot = 1.70104293751666 | epot = -11.6971704394071 | etot = -8.37462302857283 -899000 ekin = 1.62168394145959 | erot = 1.75850368946139 | epot = -11.754810659493 | etot = -8.37462302857204 -900000 ekin = 1.63689346403945 | erot = 1.81470313448007 | epot = -11.8262196271643 | etot = -8.37462302864476 -901000 ekin = 1.66753387742408 | erot = 1.86808611524248 | epot = -11.9102430214849 | etot = -8.37462302881832 -902000 ekin = 1.71269692237813 | erot = 1.91693084842045 | epot = -12.004250799887 | etot = -8.37462302908846 -903000 ekin = 1.77021838507979 | erot = 1.95934050990446 | epot = -12.1041819244131 | etot = -8.3746230294289 -904000 ekin = 1.83694819296289 | erot = 1.99341312084154 | epot = -12.2049843435883 | etot = -8.37462302978385 -905000 ekin = 1.9091464165372 | erot = 2.01754527647649 | epot = -12.3013147231267 | etot = -8.37462303011296 -906000 ekin = 1.98289589688102 | erot = 2.03065122058477 | epot = -12.3881701478513 | etot = -8.37462303038555 -907000 ekin = 2.05443877923773 | erot = 2.03228127523297 | epot = -12.4613430850611 | etot = -8.37462303059044 -908000 ekin = 2.12038320005751 | erot = 2.02259637574793 | epot = -12.517602606539 | etot = -8.37462303073359 -909000 ekin = 2.17777472065268 | erot = 2.0022386877673 | epot = -12.5546364392491 | etot = -8.37462303082911 -910000 ekin = 2.224072313876 | erot = 1.97218459089613 | epot = -12.5708799356598 | etot = -8.37462303088767 -911000 ekin = 2.25709881230455 | erot = 1.93367043925146 | epot = -12.565392282463 | etot = -8.37462303090695 -912000 ekin = 2.27504055965601 | erot = 1.88824345124061 | epot = -12.5379070417664 | etot = -8.37462303086978 -913000 ekin = 2.27654326616559 | erot = 1.83792322947571 | epot = -12.4890895263916 | etot = -8.37462303075026 -914000 ekin = 2.26395838707148 | erot = 1.78540897804183 | epot = -12.4239903947887 | etot = -8.37462302967534 -915000 ekin = 2.24045468912107 | erot = 1.73372810068477 | epot = -12.3488058193239 | etot = -8.37462302951804 -916000 ekin = 2.2052037020211 | erot = 1.68615105196725 | epot = -12.2659777833015 | etot = -8.37462302931314 -917000 ekin = 2.15800582906313 | erot = 1.64606783756059 | epot = -12.1786966957282 | etot = -8.37462302910446 -918000 ekin = 2.09921834411482 | erot = 1.61647797759965 | epot = -12.0903193506455 | etot = -8.37462302893102 -919000 ekin = 2.02966476142753 | erot = 1.59954949779934 | epot = -12.003837288032 | etot = -8.37462302880514 -920000 ekin = 1.95065755949545 | erot = 1.59642144855526 | epot = -11.9217020368486 | etot = -8.3746230287979 -921000 ekin = 1.8636620065119 | erot = 1.60750866079873 | epot = -11.8457936959436 | etot = -8.37462302863302 -922000 ekin = 1.77152243885553 | erot = 1.6326358742145 | epot = -11.7787813414979 | etot = -8.37462302842789 -923000 ekin = 1.67869484033335 | erot = 1.67111175334568 | epot = -11.7244296218677 | etot = -8.37462302818867 -924000 ekin = 1.59024537021618 | erot = 1.72202288864633 | epot = -11.6868912868269 | etot = -8.37462302796443 -925000 ekin = 1.51123937037396 | erot = 1.78411652411014 | epot = -11.66997892231 | etot = -8.37462302782593 -926000 ekin = 1.44599317765102 | erot = 1.85554834407384 | epot = -11.6761645495492 | etot = -8.37462302782433 -927000 ekin = 1.3975255860158 | erot = 1.93370661235733 | epot = -11.7058552263351 | etot = -8.37462302796194 -928000 ekin = 1.36763823809981 | erot = 2.01538770681073 | epot = -11.757648972801 | etot = -8.37462302789043 -929000 ekin = 1.36100399984301 | erot = 2.09737818238472 | epot = -11.8330052106942 | etot = -8.37462302846646 -930000 ekin = 1.35523134970657 | erot = 2.17722433884007 | epot = -11.9070787109349 | etot = -8.37462302238826 -931000 ekin = 1.39431469299154 | erot = 2.25435620438549 | epot = -12.0232939189505 | etot = -8.3746230215735 -932000 ekin = 1.49280866704974 | erot = 2.3184793019413 | epot = -12.1859109889649 | etot = -8.37462301997383 -933000 ekin = 1.58533340946677 | erot = 2.3649000005838 | epot = -12.3248564302756 | etot = -8.37462302022508 -934000 ekin = 1.68690712098785 | erot = 2.39298221169113 | epot = -12.454512355317 | etot = -8.37462302263803 -935000 ekin = 1.78473836463815 | erot = 2.39676204061141 | epot = -12.5561234284576 | etot = -8.37462302320806 -936000 ekin = 1.86987725386781 | erot = 2.37258693733634 | epot = -12.6170872147135 | etot = -8.37462302350935 -937000 ekin = 1.937204526385 | erot = 2.32043568374788 | epot = -12.6322632336416 | etot = -8.37462302350868 -938000 ekin = 1.98385208909957 | erot = 2.24266190733964 | epot = -12.601137019664 | etot = -8.37462302322478 -939000 ekin = 2.00910923706028 | erot = 2.14379034932744 | epot = -12.5275226091205 | etot = -8.37462302273282 -940000 ekin = 2.01395507290237 | erot = 2.02993348653878 | epot = -12.418511581536 | etot = -8.37462302209487 -941000 ekin = 2.00103743452198 | erot = 1.90808629517571 | epot = -12.2837467510763 | etot = -8.37462302137856 -942000 ekin = 1.97419824310806 | erot = 1.78546116622394 | epot = -12.1342824299748 | etot = -8.37462302064285 -943000 ekin = 1.93808318009578 | erot = 1.66892069893601 | epot = -11.9816268989658 | etot = -8.374623019934 -944000 ekin = 1.89777663358767 | erot = 1.56456198515281 | epot = -11.8369616380301 | etot = -8.37462301928966 -945000 ekin = 1.85843605736174 | erot = 1.4774221417758 | epot = -11.710481217882 | etot = -8.37462301874449 -946000 ekin = 1.82491092897083 | erot = 1.4112458813209 | epot = -11.6107798286275 | etot = -8.37462301833582 -947000 ekin = 1.80134221883796 | erot = 1.36826076777356 | epot = -11.544226004715 | etot = -8.37462301810345 -948000 ekin = 1.79076227753707 | erot = 1.34894522657524 | epot = -11.5143305221957 | etot = -8.3746230180834 -949000 ekin = 1.79475359820372 | erot = 1.35184135985125 | epot = -11.5212179763474 | etot = -8.37462301829246 -950000 ekin = 1.8132620204913 | erot = 1.37352812801278 | epot = -11.561413167216 | etot = -8.37462301871191 -951000 ekin = 1.84466122228562 | erot = 1.40888082073478 | epot = -11.6281650623007 | etot = -8.37462301928027 -952000 ekin = 1.88610598517568 | erot = 1.4516699630585 | epot = -11.7123989681361 | etot = -8.37462301990191 -953000 ekin = 1.93415626208246 | erot = 1.49545802208011 | epot = -11.8042373044917 | etot = -8.37462302032914 -954000 ekin = 1.98570845874446 | erot = 1.53486140750064 | epot = -11.8951928870162 | etot = -8.37462302077108 -955000 ekin = 2.03763688299778 | erot = 1.56575119866885 | epot = -11.9780111026948 | etot = -8.37462302102819 -956000 ekin = 2.08752516850072 | erot = 1.5857642599195 | epot = -12.0479124495162 | etot = -8.37462302109594 -957000 ekin = 2.13388693710405 | erot = 1.59443657078815 | epot = -12.1029465288985 | etot = -8.3746230210063 -958000 ekin = 2.1760313487577 | erot = 1.59291217741278 | epot = -12.1435665469837 | etot = -8.37462302081326 -959000 ekin = 2.21381255039136 | erot = 1.58343493106434 | epot = -12.1718705020318 | etot = -8.37462302057609 -960000 ekin = 2.24735101957822 | erot = 1.56876603527177 | epot = -12.1907400751985 | etot = -8.37462302034849 -961000 ekin = 2.27678636585073 | erot = 1.55164507323466 | epot = -12.2030544592556 | etot = -8.37462302017018 -962000 ekin = 2.3020881327992 | erot = 1.53436606871683 | epot = -12.2110772215842 | etot = -8.37462302006822 -963000 ekin = 2.32292955590092 | erot = 1.51849868398314 | epot = -12.2160512599392 | etot = -8.37462302005519 -964000 ekin = 2.33862421267352 | erot = 1.50476151876502 | epot = -12.2180087515682 | etot = -8.37462302012963 -965000 ekin = 2.34813222213387 | erot = 1.49304783092225 | epot = -12.2158030733308 | etot = -8.37462302027465 -966000 ekin = 2.35015122853473 | erot = 1.48260237418268 | epot = -12.2073766231751 | etot = -8.37462302045767 -967000 ekin = 2.34330726066535 | erot = 1.47233774696567 | epot = -12.1902680282632 | etot = -8.37462302063221 -968000 ekin = 2.32644504715905 | erot = 1.461252126306 | epot = -12.1623201942097 | etot = -8.37462302074463 -969000 ekin = 2.29898771920217 | erot = 1.44887277461907 | epot = -12.1224835145665 | etot = -8.37462302074525 -970000 ekin = 2.26130276214763 | erot = 1.43562016619329 | epot = -12.0715459489416 | etot = -8.3746230206007 -971000 ekin = 2.21499063336692 | erot = 1.42298879008823 | epot = -12.0126024437593 | etot = -8.3746230203042 -972000 ekin = 2.1630375745204 | erot = 1.41348472406784 | epot = -11.9511453183741 | etot = -8.37462301978584 -973000 ekin = 2.10950969273614 | erot = 1.41039391551626 | epot = -11.8945266278621 | etot = -8.37462301960967 -974000 ekin = 2.05703199419682 | erot = 1.41732503873327 | epot = -11.8489800520898 | etot = -8.37462301915975 -975000 ekin = 2.01010390574629 | erot = 1.43732066922395 | epot = -11.8220475937266 | etot = -8.37462301875631 -976000 ekin = 1.97340114977227 | erot = 1.47261385396416 | epot = -11.8206380222158 | etot = -8.37462301847941 -977000 ekin = 1.95082006444186 | erot = 1.52416835984572 | epot = -11.8496114426898 | etot = -8.37462301840224 -978000 ekin = 1.94472832270481 | erot = 1.59131019459445 | epot = -11.9106615358762 | etot = -8.37462301857695 -979000 ekin = 1.95538713570929 | erot = 1.67153495870638 | epot = -12.001545113434 | etot = -8.37462301901835 -980000 ekin = 1.98067723864866 | erot = 1.76051368575627 | epot = -12.1158139441912 | etot = -8.37462301978627 -981000 ekin = 2.01579571924553 | erot = 1.8520731953935 | epot = -12.2424919352903 | etot = -8.3746230206513 -982000 ekin = 2.05441082039146 | erot = 1.93952253756075 | epot = -12.3685563794549 | etot = -8.37462302150272 -983000 ekin = 2.08992138437964 | erot = 2.01671280308445 | epot = -12.4812572096481 | etot = -8.37462302218396 -984000 ekin = 2.11656909820778 | erot = 2.07910696967455 | epot = -12.5702990904592 | etot = -8.37462302257686 -985000 ekin = 2.13033501102014 | erot = 2.12464764346939 | epot = -12.6296056771267 | etot = -8.37462302263717 -986000 ekin = 2.12935596248208 | erot = 2.15403431725397 | epot = -12.6580133021399 | etot = -8.37462302240383 -987000 ekin = 2.11471923987423 | erot = 2.17104098415212 | epot = -12.6603832459131 | etot = -8.37462302188679 -988000 ekin = 2.09119735101019 | erot = 2.18228698931101 | epot = -12.6481073619503 | etot = -8.37462302162911 -989000 ekin = 2.06027968800895 | erot = 2.19075462083094 | epot = -12.6256573302391 | etot = -8.37462302139926 -990000 ekin = 2.02336255788368 | erot = 2.19843813688216 | epot = -12.5964237160071 | etot = -8.37462302124126 -991000 ekin = 1.98188077466274 | erot = 2.20638055719865 | epot = -12.5628843530195 | etot = -8.37462302115811 -992000 ekin = 1.93715749695425 | erot = 2.2147306976715 | epot = -12.5265112157503 | etot = -8.37462302112455 -993000 ekin = 1.89038311211131 | erot = 2.22307759878 | epot = -12.4880837319992 | etot = -8.37462302110785 -994000 ekin = 1.84266575140958 | erot = 2.23084817707666 | epot = -12.4481369495687 | etot = -8.37462302108249 -995000 ekin = 1.79502825849212 | erot = 2.23761065996978 | epot = -12.4072619394857 | etot = -8.37462302102385 -996000 ekin = 1.7486582035598 | erot = 2.2432323108615 | epot = -12.3665135353639 | etot = -8.37462302094261 -997000 ekin = 1.70508150016875 | erot = 2.24765365390294 | epot = -12.3273581749317 | etot = -8.37462302086002 -998000 ekin = 1.66588125244006 | erot = 2.25078611336184 | epot = -12.2912903865806 | etot = -8.37462302077868 -999000 ekin = 1.63259998370232 | erot = 2.25262768592883 | epot = -12.2598506903069 | etot = -8.37462302067575 -1000000 ekin = 1.60661879877941 | erot = 2.25373528619357 | epot = -12.234977105535 | etot = -8.37462302056203 - 1000000 0.1190088 -1.3493654 0.12586767 -1.0628358 0.00017426596 64000 -Loop time of 17.2417 on 1 procs for 1000000 steps with 10 atoms - -Performance: 50110.943 tau/day, 57998.777 timesteps/s -99.7% CPU use with 1 MPI tasks x no OpenMP threads - -MPI task timing breakdown: -Section | min time | avg time | max time |%varavg| %total ---------------------------------------------------------------- -Pair | 14.6 | 14.6 | 14.6 | 0.0 | 84.68 -Bond | 0.60678 | 0.60678 | 0.60678 | 0.0 | 3.52 -Neigh | 0.008055 | 0.008055 | 0.008055 | 0.0 | 0.05 -Comm | 0.18502 | 0.18502 | 0.18502 | 0.0 | 1.07 -Output | 0.09453 | 0.09453 | 0.09453 | 0.0 | 0.55 -Modify | 1.4778 | 1.4778 | 1.4778 | 0.0 | 8.57 -Other | | 0.2693 | | | 1.56 - -Nlocal: 10.0000 ave 10 max 10 min -Histogram: 1 0 0 0 0 0 0 0 0 0 -Nghost: 0.00000 ave 0 max 0 min -Histogram: 1 0 0 0 0 0 0 0 0 0 -Neighs: 37.0000 ave 37 max 37 min -Histogram: 1 0 0 0 0 0 0 0 0 0 - -Total # of neighbors = 37 -Ave neighs/atom = 3.7000000 -Ave special neighs/atom = 3.6000000 -Neighbor list builds = 1000 -Dangerous builds = 0 - -write_data last_config.${number}.* nocoeff -write_data last_config.1.* nocoeff -System init for write_data ... -Total wall time: 0:00:17 diff --git a/examples/PACKAGES/cgdna/examples/oxDNA2/duplex1/log.27May21.duplex1.g++.4 b/examples/PACKAGES/cgdna/examples/oxDNA2/duplex1/log.27May21.duplex1.g++.4 deleted file mode 100644 index 0ab77a2d50..0000000000 --- a/examples/PACKAGES/cgdna/examples/oxDNA2/duplex1/log.27May21.duplex1.g++.4 +++ /dev/null @@ -1,1180 +0,0 @@ -LAMMPS (27 May 2021) -variable number equal 1 -variable ofreq equal 1000 -variable efreq equal 1000 -variable T equal 0.1 -variable rhos equal 0.2 - -units lj - -dimension 3 - -newton off - -boundary p p p - -atom_style hybrid bond ellipsoid oxdna -WARNING: Atom style hybrid defines both, per-type and per-atom masses; both must be set, but only per-atom masses will be used (../atom_vec_hybrid.cpp:157) -atom_modify sort 0 1.0 - -# Pair interactions require lists of neighbours to be calculated -neighbor 2.0 bin -neigh_modify every 1 delay 0 check yes - -read_data data.duplex1 -Reading data file ... - orthogonal box = (-20.000000 -20.000000 -20.000000) to (20.000000 20.000000 20.000000) - 1 by 2 by 2 MPI processor grid - reading atoms ... - 10 atoms - reading velocities ... - 10 velocities - scanning bonds ... - 2 = max bonds/atom - 10 ellipsoids - reading bonds ... - 8 bonds -Finding 1-2 1-3 1-4 neighbors ... - special bond factors lj: 0 0 0 - special bond factors coul: 0 0 0 - 2 = max # of 1-2 neighbors - 2 = max # of 1-3 neighbors - 2 = max # of 1-4 neighbors - 4 = max # of special neighbors - special bonds CPU = 0.001 seconds - read_data CPU = 0.005 seconds - -set atom * mass 3.1575 -Setting atom values ... - 10 settings made for mass - -group all type 1 4 -10 atoms in group all - -# oxDNA2 bond interactions - FENE backbone -bond_style oxdna2/fene -bond_coeff * 2.0 0.25 0.7564 -special_bonds lj 0 1 1 -Finding 1-2 1-3 1-4 neighbors ... - special bond factors lj: 0 1 1 - special bond factors coul: 0 0 0 - 2 = max # of 1-2 neighbors - 2 = max # of 1-3 neighbors - 2 = max # of 1-4 neighbors - 4 = max # of special neighbors - special bonds CPU = 0.000 seconds - -# oxDNA2 pair interactions -pair_style hybrid/overlay oxdna2/excv oxdna2/stk oxdna2/hbond oxdna2/xstk oxdna2/coaxstk oxdna2/dh -pair_coeff * * oxdna2/excv 2.0 0.7 0.675 2.0 0.515 0.5 2.0 0.33 0.32 -pair_coeff * * oxdna2/stk seqav ${T} 1.3523 2.6717 6.0 0.4 0.9 0.32 0.75 1.3 0 0.8 0.9 0 0.95 0.9 0 0.95 2.0 0.65 2.0 0.65 -pair_coeff * * oxdna2/stk seqav 0.1 1.3523 2.6717 6.0 0.4 0.9 0.32 0.75 1.3 0 0.8 0.9 0 0.95 0.9 0 0.95 2.0 0.65 2.0 0.65 -pair_coeff * * oxdna2/hbond seqav 0.0 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 -pair_coeff 1 4 oxdna2/hbond seqav 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 -pair_coeff 2 3 oxdna2/hbond seqav 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 -pair_coeff * * oxdna2/xstk 47.5 0.575 0.675 0.495 0.655 2.25 0.791592653589793 0.58 1.7 1.0 0.68 1.7 1.0 0.68 1.5 0 0.65 1.7 0.875 0.68 1.7 0.875 0.68 -pair_coeff * * oxdna2/coaxstk 58.5 0.4 0.6 0.22 0.58 2.0 2.891592653589793 0.65 1.3 0 0.8 0.9 0 0.95 0.9 0 0.95 40.0 3.116592653589793 -pair_coeff * * oxdna2/dh ${T} ${rhos} 0.815 -pair_coeff * * oxdna2/dh 0.1 ${rhos} 0.815 -pair_coeff * * oxdna2/dh 0.1 0.2 0.815 - -# NVE ensemble -fix 1 all nve/asphere -#fix 2 all langevin ${T} ${T} 2.5 457145 angmom 10 - -timestep 1e-5 - -#comm_style tiled -fix 3 all balance 1000 1.03 shift xyz 10 1.03 -comm_modify cutoff 3.8 - -compute quat all property/atom quatw quati quatj quatk - -compute erot all erotate/asphere -compute ekin all ke -compute epot all pe -variable erot equal c_erot -variable ekin equal c_ekin -variable epot equal c_epot -variable etot equal c_erot+c_ekin+c_epot -fix 5 all print ${efreq} "$(step) ekin = ${ekin} | erot = ${erot} | epot = ${epot} | etot = ${etot}" screen yes -fix 5 all print 1000 "$(step) ekin = ${ekin} | erot = ${erot} | epot = ${epot} | etot = ${etot}" screen yes - -dump out all custom ${ofreq} out.${number}.lammpstrj id mol type x y z ix iy iz vx vy vz c_quat[1] c_quat[2] c_quat[3] c_quat[4] angmomx angmomy angmomz -dump out all custom 1000 out.${number}.lammpstrj id mol type x y z ix iy iz vx vy vz c_quat[1] c_quat[2] c_quat[3] c_quat[4] angmomx angmomy angmomz -dump out all custom 1000 out.1.lammpstrj id mol type x y z ix iy iz vx vy vz c_quat[1] c_quat[2] c_quat[3] c_quat[4] angmomx angmomy angmomz -dump_modify out sort id -dump_modify out format line "%d %d %d %22.15le %22.15le %22.15le %d %d %d %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le" - -run 1000000 -Neighbor list info ... - update every 1 steps, delay 0 steps, check yes - max neighbors/atom: 2000, page size: 100000 - master list distance cutoff = 5.6389877 - ghost atom cutoff = 5.6389877 - binsize = 2.8194939, bins = 15 15 15 - 5 neighbor lists, perpetual/occasional/extra = 5 0 0 - (1) pair oxdna2/excv, perpetual - attributes: half, newton off - pair build: half/bin/newtoff - stencil: full/bin/3d - bin: standard - (2) pair oxdna2/hbond, perpetual, copy from (1) - attributes: half, newton off - pair build: copy - stencil: none - bin: none - (3) pair oxdna2/xstk, perpetual, copy from (1) - attributes: half, newton off - pair build: copy - stencil: none - bin: none - (4) pair oxdna2/coaxstk, perpetual, copy from (1) - attributes: half, newton off - pair build: copy - stencil: none - bin: none - (5) pair oxdna2/dh, perpetual, copy from (1) - attributes: half, newton off - pair build: copy - stencil: none - bin: none -WARNING: Communication cutoff adjusted to 5.638987723814632 (../comm.cpp:739) -0 ekin = 1.10853632272819 | erot = 2.81573649976629 | epot = -12.298895791142 | etot = -8.37462296864754 -Per MPI rank memory allocation (min/avg/max) = 9.444 | 9.445 | 9.446 Mbytes -Step Temp E_pair E_mol TotEng Press Volume - 0 0.082113802 -1.3370157 0.10712616 -1.1190359 -6.6192825e-05 64000 -1000 ekin = 1.07640077431763 | erot = 2.90684392233818 | epot = -12.357867665527 | etot = -8.37462296887121 -2000 ekin = 1.05363107794411 | erot = 2.99414178935848 | epot = -12.4223958364623 | etot = -8.37462296915967 -3000 ekin = 1.04083382823095 | erot = 3.07274362339768 | epot = -12.48820042109 | etot = -8.37462296946132 -4000 ekin = 1.03780093165925 | erot = 3.13815143503908 | epot = -12.550575336422 | etot = -8.37462296972371 -5000 ekin = 1.04371581655901 | erot = 3.18681185449848 | epot = -12.6051506409707 | etot = -8.37462296991322 -6000 ekin = 1.05738085799297 | erot = 3.21642353087471 | epot = -12.6484273588875 | etot = -8.37462297001986 -7000 ekin = 1.07739394884044 | erot = 3.22597832036687 | epot = -12.677995239256 | etot = -8.37462297004864 -8000 ekin = 1.10226637472089 | erot = 3.21563966301723 | epot = -12.6925290077504 | etot = -8.37462297001232 -9000 ekin = 1.13051291055329 | erot = 3.18656247631356 | epot = -12.6916983567815 | etot = -8.37462296991465 -10000 ekin = 1.16073704358066 | erot = 3.14076972913363 | epot = -12.6761297424775 | etot = -8.37462296976318 -11000 ekin = 1.19170449380508 | erot = 3.08098965164643 | epot = -12.6473171150236 | etot = -8.37462296957209 -12000 ekin = 1.22238189802732 | erot = 3.01040253468258 | epot = -12.6074074020775 | etot = -8.37462296936758 -13000 ekin = 1.2519269188149 | erot = 2.93230261872817 | epot = -12.5588525067181 | etot = -8.374622969175 -14000 ekin = 1.2796385761876 | erot = 2.84975156813376 | epot = -12.5040131133431 | etot = -8.37462296902175 -15000 ekin = 1.30489368750126 | erot = 2.76534813925011 | epot = -12.444864795638 | etot = -8.37462296888665 -16000 ekin = 1.32709913751465 | erot = 2.68118184785529 | epot = -12.3829039541517 | etot = -8.37462296878176 -17000 ekin = 1.34568132349847 | erot = 2.59861285690791 | epot = -12.3189171492215 | etot = -8.37462296881507 -18000 ekin = 1.36011712604128 | erot = 2.51802979978581 | epot = -12.2527698947085 | etot = -8.37462296888145 -19000 ekin = 1.37000559015644 | erot = 2.43889875259722 | epot = -12.1835273117078 | etot = -8.37462296895412 -20000 ekin = 1.37516683465218 | erot = 2.36049590954917 | epot = -12.1102857132061 | etot = -8.37462296900474 -21000 ekin = 1.37575335509461 | erot = 2.28221618930098 | epot = -12.0325925134033 | etot = -8.37462296900774 -22000 ekin = 1.37235802310953 | erot = 2.20383846967477 | epot = -11.9508194617284 | etot = -8.37462296894413 -23000 ekin = 1.36610326249354 | erot = 2.12570839352806 | epot = -11.8664346248252 | etot = -8.37462296880362 -24000 ekin = 1.35869525710696 | erot = 2.04881568638623 | epot = -11.7821339120794 | etot = -8.37462296858617 -25000 ekin = 1.352422551256 | erot = 1.97475968439783 | epot = -11.7018052039588 | etot = -8.37462296830496 -26000 ekin = 1.35007012440096 | erot = 1.90560954362746 | epot = -11.6303026360113 | etot = -8.3746229679829 -27000 ekin = 1.35474332970467 | erot = 1.843676291157 | epot = -11.5730425885209 | etot = -8.37462296765923 -28000 ekin = 1.36954369410754 | erot = 1.79121252282617 | epot = -11.5353791843193 | etot = -8.37462296738555 -29000 ekin = 1.39711560919902 | erot = 1.7500600904406 | epot = -11.5217986668611 | etot = -8.3746229672215 -30000 ekin = 1.43911092491007 | erot = 1.72127833748019 | epot = -11.5350122296154 | etot = -8.37462296722519 -31000 ekin = 1.49567630461196 | erot = 1.70480588615781 | epot = -11.5751051582054 | etot = -8.37462296743563 -32000 ekin = 1.56511285114185 | erot = 1.69923538983356 | epot = -11.6389712088326 | etot = -8.37462296785714 -33000 ekin = 1.64385110263248 | erot = 1.70198396265069 | epot = -11.7204580336836 | etot = -8.37462296840039 -34000 ekin = 1.72681002365036 | erot = 1.70946314344895 | epot = -11.8108961361852 | etot = -8.37462296908591 -35000 ekin = 1.80812188596384 | erot = 1.71712980816862 | epot = -11.8998746638723 | etot = -8.37462296973981 -36000 ekin = 1.88201893971561 | erot = 1.72067857993903 | epot = -11.9773204899105 | etot = -8.37462297025589 -37000 ekin = 1.94364733336837 | erot = 1.71680208569965 | epot = -12.0350723896308 | etot = -8.37462297056282 -38000 ekin = 1.98961498615656 | erot = 1.70370907929485 | epot = -12.0679470360927 | etot = -8.37462297064129 -39000 ekin = 2.01818359901114 | erot = 1.68126711282216 | epot = -12.0740736823535 | etot = -8.37462297052021 -40000 ekin = 2.02914332282583 | erot = 1.65077260628054 | epot = -12.0545388993641 | etot = -8.37462297025776 -41000 ekin = 2.0234910301812 | erot = 1.61448262351109 | epot = -12.012596623611 | etot = -8.37462296991876 -42000 ekin = 2.0030441255453 | erot = 1.57509121259574 | epot = -11.952758307699 | etot = -8.374622969558 -43000 ekin = 1.97008148028974 | erot = 1.53529510620986 | epot = -11.8799995557139 | etot = -8.37462296921426 -44000 ekin = 1.92705109571088 | erot = 1.49750726070826 | epot = -11.7991813253591 | etot = -8.37462296893995 -45000 ekin = 1.87634986385877 | erot = 1.46354390598901 | epot = -11.7145167385331 | etot = -8.37462296868532 -46000 ekin = 1.82016797429764 | erot = 1.43491031451216 | epot = -11.6297012572908 | etot = -8.37462296848104 -47000 ekin = 1.76039182009025 | erot = 1.41286016406996 | epot = -11.5478749524838 | etot = -8.37462296832359 -48000 ekin = 1.6985694927478 | erot = 1.39838217522419 | epot = -11.4715746361764 | etot = -8.37462296820438 -49000 ekin = 1.6359395498875 | erot = 1.39228918140571 | epot = -11.4028516994045 | etot = -8.37462296811134 -50000 ekin = 1.57351801537301 | erot = 1.39530041169486 | epot = -11.3434413950978 | etot = -8.37462296802991 -51000 ekin = 1.5122287247636 | erot = 1.40810650340932 | epot = -11.2949581961197 | etot = -8.37462296794678 -52000 ekin = 1.45305245526499 | erot = 1.43140550730915 | epot = -11.2590809304253 | etot = -8.37462296785115 -53000 ekin = 1.39716366086928 | erot = 1.4658956749352 | epot = -11.2376823035408 | etot = -8.37462296773631 -54000 ekin = 1.34602153837057 | erot = 1.51222067984174 | epot = -11.2328651858294 | etot = -8.37462296761708 -55000 ekin = 1.30138436197342 | erot = 1.57077970891803 | epot = -11.2467870384003 | etot = -8.37462296750883 -56000 ekin = 1.26522647192243 | erot = 1.64151101613064 | epot = -11.2813604554936 | etot = -8.37462296744053 -57000 ekin = 1.23956119808448 | erot = 1.72363092633018 | epot = -11.3378150918588 | etot = -8.37462296744415 -58000 ekin = 1.22620283906737 | erot = 1.81539828229221 | epot = -11.4162240889029 | etot = -8.37462296754335 -59000 ekin = 1.22652758768659 | erot = 1.91400381193531 | epot = -11.5151543673672 | etot = -8.37462296774531 -60000 ekin = 1.24129579501624 | erot = 2.01564970996725 | epot = -11.631568473021 | etot = -8.37462296803753 -61000 ekin = 1.27057003505322 | erot = 2.11581304358654 | epot = -11.7610060470471 | etot = -8.37462296840734 -62000 ekin = 1.31372115356093 | erot = 2.20955642503234 | epot = -11.8979005473869 | etot = -8.37462296879364 -63000 ekin = 1.36947667734261 | erot = 2.29224896410223 | epot = -12.0363486106152 | etot = -8.37462296917037 -64000 ekin = 1.43596184816366 | erot = 2.35998108781798 | epot = -12.1705659055151 | etot = -8.37462296953341 -65000 ekin = 1.5108757081497 | erot = 2.40947275989089 | epot = -12.2949714378729 | etot = -8.37462296983232 -66000 ekin = 1.59162978656335 | erot = 2.43872351537734 | epot = -12.4049762719859 | etot = -8.37462297004526 -67000 ekin = 1.6754634907457 | erot = 2.44726186999258 | epot = -12.4973483309005 | etot = -8.37462297016219 -68000 ekin = 1.75953613825201 | erot = 2.43621057967602 | epot = -12.5703696881156 | etot = -8.37462297018758 -69000 ekin = 1.84098201456563 | erot = 2.40815676459652 | epot = -12.6237617493037 | etot = -8.37462297014155 -70000 ekin = 1.91692810522248 | erot = 2.36682660300844 | epot = -12.6583776782867 | etot = -8.3746229700558 -71000 ekin = 1.98449380473018 | erot = 2.31661131420501 | epot = -12.6757280888525 | etot = -8.37462296991727 -72000 ekin = 2.0408128719349 | erot = 2.26215174487685 | epot = -12.6775875867425 | etot = -8.3746229699307 -73000 ekin = 2.08263291328337 | erot = 2.20743363864194 | epot = -12.6646895218716 | etot = -8.37462296994629 -74000 ekin = 2.10698584150827 | erot = 2.15544421118373 | epot = -12.6370530226944 | etot = -8.37462297000235 -75000 ekin = 2.11136525908713 | erot = 2.10816940675065 | epot = -12.5941576359035 | etot = -8.37462297006568 -76000 ekin = 2.09405873141398 | erot = 2.06669472630762 | epot = -12.535376427811 | etot = -8.37462297008944 -77000 ekin = 2.05455135347909 | erot = 2.0314793357564 | epot = -12.4606536592623 | etot = -8.37462297002681 -78000 ekin = 1.99386684227704 | erot = 2.00268171013297 | epot = -12.3711715222582 | etot = -8.37462296984821 -79000 ekin = 1.91474155283402 | erot = 1.98040758803635 | epot = -12.2697721104228 | etot = -8.37462296955245 -80000 ekin = 1.82155513477586 | erot = 1.96479734780205 | epot = -12.1609754517454 | etot = -8.37462296916753 -81000 ekin = 1.71999782481706 | erot = 1.95595086125324 | epot = -12.0505716548133 | etot = -8.37462296874304 -82000 ekin = 1.61651478139511 | erot = 1.95375810375241 | epot = -11.9448958534855 | etot = -8.37462296833793 -83000 ekin = 1.5176113475009 | erot = 1.9577277486061 | epot = -11.8499620641158 | etot = -8.37462296800878 -84000 ekin = 1.42912416355173 | erot = 1.96688313409173 | epot = -11.770630265442 | etot = -8.37462296779853 -85000 ekin = 1.355568955554 | erot = 1.97976517498656 | epot = -11.7099570982739 | etot = -8.37462296773334 -86000 ekin = 1.29966988136846 | erot = 1.99452593271672 | epot = -11.6688187819006 | etot = -8.37462296781538 -87000 ekin = 1.26213747948961 | erot = 2.00910214170761 | epot = -11.6458625892975 | etot = -8.37462296810029 -88000 ekin = 1.24134500163863 | erot = 2.02122064243446 | epot = -11.6371886124843 | etot = -8.3746229684112 -89000 ekin = 1.2342164494761 | erot = 2.02900530500575 | epot = -11.6378447232194 | etot = -8.37462296873752 -90000 ekin = 1.23690604243565 | erot = 2.03136372571823 | epot = -11.6428927371713 | etot = -8.37462296901745 -91000 ekin = 1.24531053049741 | erot = 2.02816188261827 | epot = -11.6480953823211 | etot = -8.37462296920539 -92000 ekin = 1.25564394227053 | erot = 2.02032873397318 | epot = -11.6505956455252 | etot = -8.37462296928144 -93000 ekin = 1.26484018817411 | erot = 2.00975004471074 | epot = -11.6492132021395 | etot = -8.37462296925471 -94000 ekin = 1.27076152680826 | erot = 1.99896253062535 | epot = -11.64434702658 | etot = -8.37462296914645 -95000 ekin = 1.27224696211167 | erot = 1.9907688927132 | epot = -11.637638823818 | etot = -8.37462296899316 -96000 ekin = 1.26905385172906 | erot = 1.98776908505786 | epot = -11.6314459056159 | etot = -8.374622968829 -97000 ekin = 1.26173398384339 | erot = 1.99196117307471 | epot = -11.6283181256016 | etot = -8.37462296868348 -98000 ekin = 1.25146122958138 | erot = 2.00445279488987 | epot = -11.6305369930525 | etot = -8.37462296858129 -99000 ekin = 1.23981039935407 | erot = 2.02529911459859 | epot = -11.6397324824948 | etot = -8.3746229685421 -100000 ekin = 1.22848889431686 | erot = 2.05346079777931 | epot = -11.6565726606774 | etot = -8.37462296858124 -101000 ekin = 1.21904296342428 | erot = 2.08686922543158 | epot = -11.6805351575621 | etot = -8.37462296870625 -102000 ekin = 1.21258708443144 | erot = 2.12259257652692 | epot = -11.709802629871 | etot = -8.37462296891261 -103000 ekin = 1.2096213812761 | erot = 2.15710417867581 | epot = -11.7413485291304 | etot = -8.37462296917851 -104000 ekin = 1.20999435064748 | erot = 2.18665201736524 | epot = -11.7712693374783 | etot = -8.37462296946559 -105000 ekin = 1.21303379771945 | erot = 2.20771017012383 | epot = -11.7953669375664 | etot = -8.37462296972313 -106000 ekin = 1.21781939160535 | erot = 2.21746426398215 | epot = -11.8099066254851 | etot = -8.37462296989764 -107000 ekin = 1.22352668485505 | erot = 2.21425769941215 | epot = -11.8124073542124 | etot = -8.37462296994524 -108000 ekin = 1.22975371616698 | erot = 2.19791821277325 | epot = -11.8022948987809 | etot = -8.37462296984067 -109000 ekin = 1.23675326669525 | erot = 2.16990174522994 | epot = -11.7812779815079 | etot = -8.37462296958276 -110000 ekin = 1.24552660594288 | erot = 2.13322593016593 | epot = -11.7533755053019 | etot = -8.37462296919314 -111000 ekin = 1.2577699492817 | erot = 2.09220325002883 | epot = -11.7245961680233 | etot = -8.37462296871273 -112000 ekin = 1.27568807280454 | erot = 2.0520095134221 | epot = -11.7023205544236 | etot = -8.37462296819701 -113000 ekin = 1.30169744977547 | erot = 2.01813224570276 | epot = -11.6944526631895 | etot = -8.37462296771131 -114000 ekin = 1.3380425185894 | erot = 1.99574344242898 | epot = -11.708408928345 | etot = -8.37462296732664 -115000 ekin = 1.38647431929533 | erot = 1.9890358144779 | epot = -11.7501331008335 | etot = -8.3746229670603 -116000 ekin = 1.44876446583391 | erot = 2.00047074173031 | epot = -11.8238581746951 | etot = -8.37462296713089 -117000 ekin = 1.52378581535556 | erot = 2.03044339408199 | epot = -11.928852176889 | etot = -8.37462296745148 -118000 ekin = 1.60840594184184 | erot = 2.07707436259007 | epot = -12.0601032724458 | etot = -8.37462296801391 -119000 ekin = 1.69804077960487 | erot = 2.13624566567617 | epot = -12.2089094140534 | etot = -8.37462296877235 -120000 ekin = 1.78696647862279 | erot = 2.20199105617477 | epot = -12.3635805044446 | etot = -8.37462296964704 -121000 ekin = 1.86883508536304 | erot = 2.26718837407833 | epot = -12.5106464299772 | etot = -8.3746229705358 -122000 ekin = 1.93731263285346 | erot = 2.3244608703495 | epot = -12.6363964745344 | etot = -8.37462297133144 -123000 ekin = 1.98673587945774 | erot = 2.36714489985499 | epot = -12.7285037512514 | etot = -8.37462297193864 -124000 ekin = 2.01268857483472 | erot = 2.39015976226559 | epot = -12.7774713093897 | etot = -8.37462297228942 -125000 ekin = 2.01242153120607 | erot = 2.39062925356786 | epot = -12.7776737571266 | etot = -8.37462297235268 -126000 ekin = 1.98507290328065 | erot = 2.36815351492862 | epot = -12.7278493903457 | etot = -8.37462297213648 -127000 ekin = 1.93167931643402 | erot = 2.32470375634598 | epot = -12.6310060444627 | etot = -8.3746229716827 -128000 ekin = 1.8550007691687 | erot = 2.26419178968032 | epot = -12.4938155299045 | etot = -8.37462297105549 -129000 ekin = 1.75920795598131 | erot = 2.19182812292597 | epot = -12.3256590492356 | etot = -8.37462297032836 -130000 ekin = 1.64949415840181 | erot = 2.11340935726336 | epot = -12.1375264852356 | etot = -8.37462296957046 -131000 ekin = 1.53167143066913 | erot = 2.03466319553997 | epot = -11.9409575950483 | etot = -8.3746229688392 -132000 ekin = 1.41179399813977 | erot = 1.96073697301923 | epot = -11.7471539393354 | etot = -8.37462296817641 -133000 ekin = 1.29582771791042 | erot = 1.89586175533303 | epot = -11.5663124408536 | etot = -8.37462296761014 -134000 ekin = 1.18933366770487 | erot = 1.84313053331017 | epot = -11.4070871682765 | etot = -8.37462296726146 -135000 ekin = 1.09698845763052 | erot = 1.80418246558945 | epot = -11.2757938901605 | etot = -8.37462296694051 -136000 ekin = 1.02270904454081 | erot = 1.77989195852201 | epot = -11.1772239698142 | etot = -8.37462296675135 -137000 ekin = 0.969402888595107 | erot = 1.77022137974247 | epot = -11.1142472350355 | etot = -8.37462296669788 -138000 ekin = 0.938766242876396 | erot = 1.77423425797198 | epot = -11.0876234676258 | etot = -8.37462296677741 -139000 ekin = 0.931209536918622 | erot = 1.79022284403572 | epot = -11.0960553479303 | etot = -8.374622966976 -140000 ekin = 0.945902360873774 | erot = 1.81588277986729 | epot = -11.1364081080077 | etot = -8.37462296726662 -141000 ekin = 0.980951010695175 | erot = 1.8485455285403 | epot = -11.204119506847 | etot = -8.37462296761153 -142000 ekin = 1.03368854660433 | erot = 1.88546172258917 | epot = -11.2937732371602 | etot = -8.37462296796669 -143000 ekin = 1.10102464558806 | erot = 1.92410215903287 | epot = -11.3997497729132 | etot = -8.37462296829229 -144000 ekin = 1.17978371180479 | erot = 1.96241851789346 | epot = -11.5168251982596 | etot = -8.37462296856134 -145000 ekin = 1.26696389973282 | erot = 1.99907135517271 | epot = -11.6406582236463 | etot = -8.37462296874076 -146000 ekin = 1.35987698631737 | erot = 2.03338468070426 | epot = -11.7678846359152 | etot = -8.37462296889355 -147000 ekin = 1.45616095202992 | erot = 2.06502561999169 | epot = -11.8958095410393 | etot = -8.37462296901766 -148000 ekin = 1.55369685491102 | erot = 2.09388144715349 | epot = -12.0222012712078 | etot = -8.37462296914327 -149000 ekin = 1.65047924324446 | erot = 2.119766716203 | epot = -12.1448689287441 | etot = -8.3746229692966 -150000 ekin = 1.7444879162985 | erot = 2.14217867903534 | epot = -12.2612895648265 | etot = -8.3746229694927 -151000 ekin = 1.83359650490146 | erot = 2.16016451670422 | epot = -12.3683839913409 | etot = -8.37462296973527 -152000 ekin = 1.91553611044662 | erot = 2.17231614291454 | epot = -12.4624752233743 | etot = -8.3746229700131 -153000 ekin = 1.98791755611535 | erot = 2.176897167127 | epot = -12.5394376935491 | etot = -8.37462297030674 -154000 ekin = 2.04830722999038 | erot = 2.17205709329779 | epot = -12.5949872938791 | etot = -8.37462297059092 -155000 ekin = 2.0943477814066 | erot = 2.1560836321465 | epot = -12.6250543843915 | etot = -8.37462297083838 -156000 ekin = 2.12391577783684 | erot = 2.12765251039836 | epot = -12.6261912592573 | etot = -8.37462297102206 -157000 ekin = 2.13531004697523 | erot = 2.08604574913212 | epot = -12.5959787672234 | etot = -8.37462297111609 -158000 ekin = 2.12746223168569 | erot = 2.0313282063183 | epot = -12.5334134091002 | etot = -8.37462297109625 -159000 ekin = 2.10015103339182 | erot = 1.96448478928966 | epot = -12.4392587936247 | etot = -8.3746229709432 -160000 ekin = 2.0541841606365 | erot = 1.88751839461899 | epot = -12.3163255258998 | etot = -8.37462297064433 -161000 ekin = 1.9914954137127 | erot = 1.80350457154603 | epot = -12.1696229554607 | etot = -8.37462297020201 -162000 ekin = 1.91510266104687 | erot = 1.71656915682321 | epot = -12.0062947875077 | etot = -8.37462296963766 -163000 ekin = 1.82889680262222 | erot = 1.63175766791017 | epot = -11.8352774395237 | etot = -8.37462296899133 -164000 ekin = 1.73727850175361 | erot = 1.55477450557376 | epot = -11.6666759756467 | etot = -8.37462296831929 -165000 ekin = 1.64470875439873 | erot = 1.4915924102951 | epot = -11.5109241323765 | etot = -8.37462296768268 -166000 ekin = 1.55526715399606 | erot = 1.44796523953972 | epot = -11.3778553606755 | etot = -8.3746229671397 -167000 ekin = 1.47230568197345 | erot = 1.42890789301241 | epot = -11.2758365417204 | etot = -8.37462296673456 -168000 ekin = 1.39825202215325 | erot = 1.43822523215975 | epot = -11.2111002208052 | etot = -8.37462296649218 -169000 ekin = 1.33457196190141 | erot = 1.47816740254075 | epot = -11.1873623308595 | etot = -8.37462296641738 -170000 ekin = 1.28186404086305 | erot = 1.54925939136695 | epot = -11.2057463987275 | etot = -8.37462296649748 -171000 ekin = 1.24010532837043 | erot = 1.650314933199 | epot = -11.2650432281454 | etot = -8.37462296657596 -172000 ekin = 1.20973432363906 | erot = 1.77850842430629 | epot = -11.3628657149172 | etot = -8.37462296697185 -173000 ekin = 1.18958106737836 | erot = 1.92939472681623 | epot = -11.4935987616336 | etot = -8.37462296743901 -174000 ekin = 1.17780375666799 | erot = 2.09752621801763 | epot = -11.6499529426377 | etot = -8.37462296795207 -175000 ekin = 1.17250284106932 | erot = 2.27682305293097 | epot = -11.823948862491 | etot = -8.37462296849073 -176000 ekin = 1.1717731341751 | erot = 2.46086230703718 | epot = -12.0072584102492 | etot = -8.37462296903695 -177000 ekin = 1.17372471418892 | erot = 2.64315812275411 | epot = -12.1915058065145 | etot = -8.37462296957145 -178000 ekin = 1.1764972581607 | erot = 2.8174537859961 | epot = -12.3685740142281 | etot = -8.37462297007134 -179000 ekin = 1.17828959842936 | erot = 2.9780388566517 | epot = -12.5309514255911 | etot = -8.37462297051003 -180000 ekin = 1.17741681901011 | erot = 3.12008209304928 | epot = -12.6721218829193 | etot = -8.37462297085987 -181000 ekin = 1.17239479280091 | erot = 3.2399417749801 | epot = -12.7869595388788 | etot = -8.3746229710978 -182000 ekin = 1.16204161674191 | erot = 3.33528346670204 | epot = -12.871948054927 | etot = -8.37462297148309 -183000 ekin = 1.14544700201189 | erot = 3.40346825728322 | epot = -12.9235382308538 | etot = -8.3746229715587 -184000 ekin = 1.12187454429755 | erot = 3.44382690739235 | epot = -12.9403244231955 | etot = -8.37462297150555 -185000 ekin = 1.09113819766571 | erot = 3.45752421108363 | epot = -12.9232853800841 | etot = -8.37462297133478 -186000 ekin = 1.0537517763756 | erot = 3.44681260248516 | epot = -12.875187349924 | etot = -8.37462297106326 -187000 ekin = 1.01100426926452 | erot = 3.41470705189681 | epot = -12.8003342918715 | etot = -8.3746229707102 -188000 ekin = 0.964980950088499 | erot = 3.36467106156843 | epot = -12.7042749819531 | etot = -8.37462297029615 -189000 ekin = 0.918502012520883 | erot = 3.30025095733249 | epot = -12.5933759397279 | etot = -8.37462296987451 -190000 ekin = 0.874955375625479 | erot = 3.22483721777176 | epot = -12.4744155628188 | etot = -8.37462296942152 -191000 ekin = 0.838012694189673 | erot = 3.14179385100208 | epot = -12.3544295141826 | etot = -8.37462296899079 -192000 ekin = 0.811264586710657 | erot = 3.05421641257372 | epot = -12.2401039678971 | etot = -8.37462296861268 -193000 ekin = 0.797833231457084 | erot = 2.96485918306321 | epot = -12.1373153828317 | etot = -8.37462296831145 -194000 ekin = 0.800032366300235 | erot = 2.87610608236619 | epot = -12.050761416768 | etot = -8.37462296810153 -195000 ekin = 0.819137512919436 | erot = 2.78998115247787 | epot = -11.9837416333826 | etot = -8.37462296798526 -196000 ekin = 0.855301818718971 | erot = 2.70818765526185 | epot = -11.9381124419351 | etot = -8.37462296795428 -197000 ekin = 0.907617485284309 | erot = 2.63215574475477 | epot = -11.9143961980333 | etot = -8.37462296799419 -198000 ekin = 0.97429151758394 | erot = 2.56307623018431 | epot = -11.9119907158566 | etot = -8.37462296808834 -199000 ekin = 1.05288651878741 | erot = 2.50190471363149 | epot = -11.9294142006404 | etot = -8.37462296822155 -200000 ekin = 1.14057530731199 | erot = 2.4493327408956 | epot = -11.9645310165904 | etot = -8.37462296838278 -201000 ekin = 1.2343694565576 | erot = 2.4057357740471 | epot = -12.014728199169 | etot = -8.37462296856431 -202000 ekin = 1.33129982084458 | erot = 2.37111655194159 | epot = -12.077039341547 | etot = -8.37462296876083 -203000 ekin = 1.42854451444423 | erot = 2.34506402190562 | epot = -12.1482315053183 | etot = -8.3746229689685 -204000 ekin = 1.52351160571851 | erot = 2.3267429043425 | epot = -12.2248774792434 | etot = -8.37462296918236 -205000 ekin = 1.6138883706006 | erot = 2.31491995505448 | epot = -12.303431295052 | etot = -8.37462296939692 -206000 ekin = 1.69766775260787 | erot = 2.30802500400437 | epot = -12.3803157262179 | etot = -8.37462296960567 -207000 ekin = 1.77315874687833 | erot = 2.30423562983859 | epot = -12.4520173465211 | etot = -8.37462296980422 -208000 ekin = 1.83898325555911 | erot = 2.30156289475817 | epot = -12.5151691203028 | etot = -8.37462296998553 -209000 ekin = 1.89406065254644 | erot = 2.29797193080324 | epot = -12.5666555534947 | etot = -8.37462297014506 -210000 ekin = 1.93758171355935 | erot = 2.29149245614518 | epot = -12.6036971399829 | etot = -8.3746229702784 -211000 ekin = 1.96897499678785 | erot = 2.28032999988847 | epot = -12.6239279670578 | etot = -8.37462297038152 -212000 ekin = 1.98787057423925 | erot = 2.26297816329926 | epot = -12.6254717079893 | etot = -8.3746229704508 -213000 ekin = 1.99406615310611 | erot = 2.2383484772953 | epot = -12.6070376008827 | etot = -8.37462297048134 -214000 ekin = 1.98749971048289 | erot = 2.20579329600811 | epot = -12.5679159769723 | etot = -8.37462297048125 -215000 ekin = 1.96823269345663 | erot = 2.16512069835577 | epot = -12.5079763622595 | etot = -8.37462297044713 -216000 ekin = 1.93645036858726 | erot = 2.11663233289577 | epot = -12.4277056718661 | etot = -8.37462297038307 -217000 ekin = 1.89249565101069 | erot = 2.06105227365545 | epot = -12.328170894956 | etot = -8.37462297028983 -218000 ekin = 1.83696296100899 | erot = 1.99944931813363 | epot = -12.2110352493001 | etot = -8.37462297015747 -219000 ekin = 1.77087997199934 | erot = 1.93321768349765 | epot = -12.0787206254576 | etot = -8.37462296996059 -220000 ekin = 1.69598414200763 | erot = 1.86416918368629 | epot = -11.9347762953549 | etot = -8.37462296966094 -221000 ekin = 1.61504938765036 | erot = 1.79472971030281 | epot = -11.7844020671756 | etot = -8.37462296922238 -222000 ekin = 1.53214607791949 | erot = 1.72813764737019 | epot = -11.6349066939257 | etot = -8.37462296863602 -223000 ekin = 1.45266240883104 | erot = 1.66846349300161 | epot = -11.4957488697767 | etot = -8.37462296794408 -224000 ekin = 1.38293292450099 | erot = 1.62027927221305 | epot = -11.3778351639604 | etot = -8.37462296724631 -225000 ekin = 1.32944348952736 | erot = 1.58793473617187 | epot = -11.2920011923819 | etot = -8.37462296668269 -226000 ekin = 1.2977735014098 | erot = 1.57457480049554 | epot = -11.2469712682751 | etot = -8.37462296636981 -227000 ekin = 1.29158711545474 | erot = 1.58136206120168 | epot = -11.247572143041 | etot = -8.37462296638459 -228000 ekin = 1.31199160550476 | erot = 1.60705168356094 | epot = -11.2936662557528 | etot = -8.37462296668715 -229000 ekin = 1.35720775781569 | erot = 1.64872427968805 | epot = -11.3805550048119 | etot = -8.37462296730815 -230000 ekin = 1.42320705813326 | erot = 1.70117239435519 | epot = -11.4990024205437 | etot = -8.37462296805528 -231000 ekin = 1.50467169677578 | erot = 1.75808746579119 | epot = -11.6373821313705 | etot = -8.37462296880356 -232000 ekin = 1.59576180204784 | erot = 1.81345446216814 | epot = -11.7838392336754 | etot = -8.37462296945945 -233000 ekin = 1.69077156764766 | erot = 1.86233770608624 | epot = -11.9277322437063 | etot = -8.37462296997237 -234000 ekin = 1.78453671679902 | erot = 1.90129507954668 | epot = -12.0604547666798 | etot = -8.37462297033406 -235000 ekin = 1.87261122258964 | erot = 1.92842207171172 | epot = -12.1756562648648 | etot = -8.37462297056343 -236000 ekin = 1.95129507586045 | erot = 1.94312673772456 | epot = -12.2690447842759 | etot = -8.37462297069089 -237000 ekin = 2.01688127570888 | erot = 1.94587838549618 | epot = -12.3373826321093 | etot = -8.37462297090424 -238000 ekin = 2.06554471096632 | erot = 1.93754713481357 | epot = -12.3777148167612 | etot = -8.37462297098128 -239000 ekin = 2.09498833917105 | erot = 1.91896908743904 | epot = -12.3885803976066 | etot = -8.37462297099647 -240000 ekin = 2.10387887335868 | erot = 1.89114067893448 | epot = -12.3696425232255 | etot = -8.37462297093239 -241000 ekin = 2.09205058134763 | erot = 1.85524232773695 | epot = -12.3219158798525 | etot = -8.37462297076792 -242000 ekin = 2.06070692356732 | erot = 1.81270484104108 | epot = -12.2480347350936 | etot = -8.3746229704852 -243000 ekin = 2.01255526288397 | erot = 1.76529169809267 | epot = -12.1524699310592 | etot = -8.3746229700826 -244000 ekin = 1.95178746173565 | erot = 1.71512317980732 | epot = -12.0415336111136 | etot = -8.37462296957065 -245000 ekin = 1.88387514784715 | erot = 1.66462101119864 | epot = -11.9231191280352 | etot = -8.37462296898941 -246000 ekin = 1.81512558267788 | erot = 1.61637080971489 | epot = -11.8061193607925 | etot = -8.37462296839969 -247000 ekin = 1.75197548737598 | erot = 1.57289129038632 | epot = -11.6994897456374 | etot = -8.37462296787513 -248000 ekin = 1.70016015194921 | erot = 1.5363664174363 | epot = -11.6111495368734 | etot = -8.37462296748788 -249000 ekin = 1.664043914543 | erot = 1.50839677555149 | epot = -11.5470636572537 | etot = -8.37462296715922 -250000 ekin = 1.64635032469218 | erot = 1.48977166427894 | epot = -11.5107449561766 | etot = -8.37462296720544 -251000 ekin = 1.64670868822392 | erot = 1.48021150770214 | epot = -11.5015431633547 | etot = -8.37462296742863 -252000 ekin = 1.66264181464355 | erot = 1.47871062656248 | epot = -11.515975408979 | etot = -8.37462296777296 -253000 ekin = 1.69027564040369 | erot = 1.48380069509961 | epot = -11.5486993036754 | etot = -8.3746229681721 -254000 ekin = 1.72505301291702 | erot = 1.49382397147177 | epot = -11.593499952955 | etot = -8.37462296856621 -255000 ekin = 1.76239471231507 | erot = 1.50720813837987 | epot = -11.6442258196111 | etot = -8.37462296891614 -256000 ekin = 1.79816893498575 | erot = 1.52259254469743 | epot = -11.6953844488857 | etot = -8.37462296920248 -257000 ekin = 1.82895095239716 | erot = 1.53887801863879 | epot = -11.7424519404558 | etot = -8.37462296941987 -258000 ekin = 1.85212386739603 | erot = 1.55528591409784 | epot = -11.7820327510629 | etot = -8.37462296956901 -259000 ekin = 1.86588413888276 | erot = 1.57137656836574 | epot = -11.8118836768999 | etot = -8.37462296965144 -260000 ekin = 1.86922537289945 | erot = 1.58707491263422 | epot = -11.8309232551869 | etot = -8.37462296965321 -261000 ekin = 1.86194745778049 | erot = 1.60277606186391 | epot = -11.8393464893246 | etot = -8.37462296968025 -262000 ekin = 1.84441202421401 | erot = 1.61874454524398 | epot = -11.8377795390096 | etot = -8.37462296955156 -263000 ekin = 1.8177563299772 | erot = 1.63584439963962 | epot = -11.8282236989416 | etot = -8.37462296932473 -264000 ekin = 1.78414336143566 | erot = 1.65581672859452 | epot = -11.8145830590359 | etot = -8.37462296900575 -265000 ekin = 1.74659811333773 | erot = 1.68088156362826 | epot = -11.8021026455982 | etot = -8.37462296863218 -266000 ekin = 1.70875551588695 | erot = 1.71332387538106 | epot = -11.7967023595427 | etot = -8.37462296827472 -267000 ekin = 1.67443624978676 | erot = 1.75501089284495 | epot = -11.8040701106202 | etot = -8.37462296798845 -268000 ekin = 1.64712713207616 | erot = 1.80695733277667 | epot = -11.8287074326943 | etot = -8.37462296784148 -269000 ekin = 1.62949021142767 | erot = 1.86883267567167 | epot = -11.8729458549721 | etot = -8.37462296787273 -270000 ekin = 1.62285159922546 | erot = 1.93872810894256 | epot = -11.9362026762895 | etot = -8.37462296812145 -271000 ekin = 1.62688631043817 | erot = 2.01317767222006 | epot = -12.0146869512065 | etot = -8.37462296854828 -272000 ekin = 1.63981668010479 | erot = 2.08746423747607 | epot = -12.1019038866666 | etot = -8.37462296908573 -273000 ekin = 1.65880091169085 | erot = 2.15626799363728 | epot = -12.1896918749698 | etot = -8.37462296964172 -274000 ekin = 1.68050753849978 | erot = 2.21448722130837 | epot = -12.2696177299305 | etot = -8.37462297012236 -275000 ekin = 1.70172643739859 | erot = 2.25805265702164 | epot = -12.3344020648726 | etot = -8.37462297045236 -276000 ekin = 1.71987527696229 | erot = 2.28456562448884 | epot = -12.3790638720398 | etot = -8.37462297058871 -277000 ekin = 1.73331269261662 | erot = 2.29364905663773 | epot = -12.4015847197778 | etot = -8.37462297052348 -278000 ekin = 1.74143735013812 | erot = 2.28698125838882 | epot = -12.4030415787998 | etot = -8.37462297027286 -279000 ekin = 1.74460802870659 | erot = 2.26806682992254 | epot = -12.3872978285234 | etot = -8.37462296989426 -280000 ekin = 1.74394008412506 | erot = 2.24171314051919 | epot = -12.3602761940833 | etot = -8.37462296943905 -281000 ekin = 1.74088698058238 | erot = 2.21312908436276 | epot = -12.3286390340538 | etot = -8.37462296910862 -282000 ekin = 1.73669656458759 | erot = 2.18704204449549 | epot = -12.2983615778783 | etot = -8.37462296879524 -283000 ekin = 1.73229007371642 | erot = 2.1674467962283 | epot = -12.2743598385788 | etot = -8.37462296863409 -284000 ekin = 1.72792109204571 | erot = 2.15675164213727 | epot = -12.2592957028517 | etot = -8.3746229686687 -285000 ekin = 1.72297480902885 | erot = 2.15537559427272 | epot = -12.2529733722 | etot = -8.37462296889847 -286000 ekin = 1.71598432453051 | erot = 2.16179000838356 | epot = -12.2523973021713 | etot = -8.37462296925726 -287000 ekin = 1.70498524220327 | erot = 2.17315503013682 | epot = -12.2527632419519 | etot = -8.3746229696118 -288000 ekin = 1.68823578051931 | erot = 2.18649203663113 | epot = -12.2493507869527 | etot = -8.37462296980222 -289000 ekin = 1.66510970376189 | erot = 2.19999055777893 | epot = -12.2397232312607 | etot = -8.37462296971986 -290000 ekin = 1.63674302037956 | erot = 2.21381252699311 | epot = -12.2251785167475 | etot = -8.37462296937484 -291000 ekin = 1.60601874197386 | erot = 2.22992661048294 | epot = -12.2105683213532 | etot = -8.37462296889641 -292000 ekin = 1.57682389343734 | erot = 2.25107800691057 | epot = -12.2025248687813 | etot = -8.37462296843336 -293000 ekin = 1.55301992418662 | erot = 2.27950943304582 | epot = -12.2071523254127 | etot = -8.37462296818025 -294000 ekin = 1.53731454048149 | erot = 2.31583078837865 | epot = -12.2277682970263 | etot = -8.37462296816618 -295000 ekin = 1.53083265562476 | erot = 2.35873605655275 | epot = -12.2641916805461 | etot = -8.37462296836864 -296000 ekin = 1.53318706455205 | erot = 2.40528084679052 | epot = -12.3130908800614 | etot = -8.37462296871883 -297000 ekin = 1.54281493583582 | erot = 2.4515193186347 | epot = -12.3689572236279 | etot = -8.3746229691574 -298000 ekin = 1.55733608765083 | erot = 2.49306411731964 | epot = -12.4250231746877 | etot = -8.3746229697172 -299000 ekin = 1.57407386288216 | erot = 2.52498633848796 | epot = -12.4736831715335 | etot = -8.37462297016341 -300000 ekin = 1.59001535759976 | erot = 2.54349315182905 | epot = -12.5081314800013 | etot = -8.37462297057251 -301000 ekin = 1.60189886822585 | erot = 2.54585083166242 | epot = -12.5223726708135 | etot = -8.37462297092524 -302000 ekin = 1.60620251585571 | erot = 2.53039812867702 | epot = -12.5112236158409 | etot = -8.37462297130815 -303000 ekin = 1.59914065240547 | erot = 2.4959828099385 | epot = -12.4697464340451 | etot = -8.37462297170116 -304000 ekin = 1.57679795693713 | erot = 2.44177332378582 | epot = -12.3931942527977 | etot = -8.37462297207474 -305000 ekin = 1.53574304374 | erot = 2.36761905414264 | epot = -12.277985069966 | etot = -8.37462297208332 -306000 ekin = 1.47392866559566 | erot = 2.27453104047961 | epot = -12.1230826782581 | etot = -8.37462297218281 -307000 ekin = 1.39050823398525 | erot = 2.16376504506943 | epot = -11.9288962509197 | etot = -8.37462297186505 -308000 ekin = 1.28961522980533 | erot = 2.03977667258418 | epot = -11.7040148706627 | etot = -8.37462296827321 -309000 ekin = 1.0578293749373 | erot = 1.83361716570716 | epot = -11.2660695010511 | etot = -8.3746229604066 -310000 ekin = 1.14450415448801 | erot = 1.58483272602465 | epot = -11.1039598386899 | etot = -8.37462295817721 -311000 ekin = 1.41922601312433 | erot = 1.45460499880699 | epot = -11.2484540448416 | etot = -8.37462303291028 -312000 ekin = 1.45261330232124 | erot = 1.37611906651625 | epot = -11.2033554015516 | etot = -8.37462303271409 -313000 ekin = 1.4788437717407 | erot = 1.31854286229449 | epot = -11.1720096664209 | etot = -8.37462303238567 -314000 ekin = 1.49756299811573 | erot = 1.28320357876888 | epot = -11.1553896088945 | etot = -8.37462303200986 -315000 ekin = 1.51332559187976 | erot = 1.27043025389328 | epot = -11.1583788774964 | etot = -8.37462303172341 -316000 ekin = 1.5308006111801 | erot = 1.27925593275775 | epot = -11.1846795755428 | etot = -8.37462303160493 -317000 ekin = 1.55378721590878 | erot = 1.30719554367543 | epot = -11.235605791274 | etot = -8.37462303168982 -318000 ekin = 1.58370434541092 | erot = 1.34913652060449 | epot = -11.3074638985388 | etot = -8.3746230325234 -319000 ekin = 1.61943484148271 | erot = 1.39801478359314 | epot = -11.3920726581939 | etot = -8.37462303311803 -320000 ekin = 1.65864783760545 | erot = 1.4469667045913 | epot = -11.4802375759983 | etot = -8.37462303380153 -321000 ekin = 1.6976698384736 | erot = 1.48920524279123 | epot = -11.5614981157299 | etot = -8.3746230344651 -322000 ekin = 1.73222385846077 | erot = 1.51888544570781 | epot = -11.6257323391508 | etot = -8.37462303498217 -323000 ekin = 1.75834700852353 | erot = 1.53202956630854 | epot = -11.6649996100711 | etot = -8.37462303523908 -324000 ekin = 1.77324650046361 | erot = 1.52732597029569 | epot = -11.675195505928 | etot = -8.37462303516871 -325000 ekin = 1.77583924216996 | erot = 1.50655389358471 | epot = -11.6570161705554 | etot = -8.37462303480068 -326000 ekin = 1.76682929376892 | erot = 1.47436928283917 | epot = -11.6158216107568 | etot = -8.37462303414873 -327000 ekin = 1.74834602231152 | erot = 1.43794367202746 | epot = -11.5609127276999 | etot = -8.37462303336097 -328000 ekin = 1.7233110982126 | erot = 1.40578615079696 | epot = -11.5037202815778 | etot = -8.37462303256828 -329000 ekin = 1.69488797673405 | erot = 1.38635580023326 | epot = -11.455866808845 | etot = -8.37462303187764 -330000 ekin = 1.66566513334786 | erot = 1.38702252391897 | epot = -11.4273106886498 | etot = -8.374623031383 -331000 ekin = 1.63732185166234 | erot = 1.41331220646627 | epot = -11.4252570892353 | etot = -8.37462303110665 -332000 ekin = 1.61073968004048 | erot = 1.46826665363454 | epot = -11.4536293647323 | etot = -8.37462303105725 -333000 ekin = 1.58605232106548 | erot = 1.55220559043093 | epot = -11.5128809427306 | etot = -8.37462303123423 -334000 ekin = 1.56284415922383 | erot = 1.66255678080412 | epot = -11.6000239716191 | etot = -8.37462303159115 -335000 ekin = 1.54014240613874 | erot = 1.79443783502712 | epot = -11.7092032732476 | etot = -8.3746230320817 -336000 ekin = 1.51670455216665 | erot = 1.94117931563221 | epot = -11.8325069004485 | etot = -8.37462303264961 -337000 ekin = 1.49128277555588 | erot = 2.09492414345214 | epot = -11.9608299522436 | etot = -8.37462303323563 -338000 ekin = 1.46282625483081 | erot = 2.24735936520887 | epot = -12.0848086538234 | etot = -8.37462303378369 -339000 ekin = 1.43063896798345 | erot = 2.39044100153381 | epot = -12.1957030037652 | etot = -8.37462303424793 -340000 ekin = 1.39448012484058 | erot = 2.51702660358978 | epot = -12.2861297630267 | etot = -8.37462303459637 -341000 ekin = 1.35460313822272 | erot = 2.62135284037423 | epot = -12.3505790134091 | etot = -8.37462303481217 -342000 ekin = 1.3117393686306 | erot = 2.69933546749687 | epot = -12.3856978710184 | etot = -8.37462303489094 -343000 ekin = 1.26704159860242 | erot = 2.74871044551728 | epot = -12.3903750789562 | etot = -8.37462303483653 -344000 ekin = 1.22200654509503 | erot = 2.76906107654538 | epot = -12.3656906562963 | etot = -8.37462303465594 -345000 ekin = 1.17839357225705 | erot = 2.76177689465492 | epot = -12.3147935012698 | etot = -8.3746230343578 -346000 ekin = 1.13814730560313 | erot = 2.72996678569807 | epot = -12.2427371252553 | etot = -8.37462303395411 -347000 ekin = 1.10331757839141 | erot = 2.6783142195391 | epot = -12.1562548313944 | etot = -8.37462303346392 -348000 ekin = 1.07595787263662 | erot = 2.61283600667603 | epot = -12.0634169122307 | etot = -8.37462303291807 -349000 ekin = 1.05798147191725 | erot = 2.54050407789364 | epot = -11.9731085821725 | etot = -8.37462303236165 -350000 ekin = 1.05096760963778 | erot = 2.46871550807945 | epot = -11.8943061495688 | etot = -8.37462303185161 -351000 ekin = 1.05593437429309 | erot = 2.40463774697973 | epot = -11.8351951527212 | etot = -8.37462303144839 -352000 ekin = 1.07311971186499 | erot = 2.35449555191637 | epot = -11.8022382949886 | etot = -8.37462303120719 -353000 ekin = 1.10182415540818 | erot = 2.32288867128187 | epot = -11.7993358578585 | etot = -8.37462303116842 -354000 ekin = 1.14036300464704 | erot = 2.31223409502352 | epot = -11.8272201310208 | etot = -8.37462303135026 -355000 ekin = 1.18615564007902 | erot = 2.3224218596199 | epot = -11.8832005314417 | etot = -8.37462303174276 -356000 ekin = 1.23595386569949 | erot = 2.35076326964177 | epot = -11.9613401676474 | etot = -8.37462303230618 -357000 ekin = 1.28618457758726 | erot = 2.39228504524919 | epot = -12.0530926558101 | etot = -8.37462303297361 -358000 ekin = 1.33335672484132 | erot = 2.44036693764159 | epot = -12.1483466961437 | etot = -8.37462303366077 -359000 ekin = 1.37446611423607 | erot = 2.48763760748889 | epot = -12.236726756006 | etot = -8.37462303428102 -360000 ekin = 1.40733698540188 | erot = 2.52696891747013 | epot = -12.3089289376309 | etot = -8.3746230347589 -361000 ekin = 1.43085230117183 | erot = 2.55266032656637 | epot = -12.3581356626699 | etot = -8.37462303493173 -362000 ekin = 1.44498023419595 | erot = 2.56161192448288 | epot = -12.3812151936925 | etot = -8.37462303501363 -363000 ekin = 1.45080808015525 | erot = 2.55177253018898 | epot = -12.3772036452512 | etot = -8.37462303490697 -364000 ekin = 1.4504698206999 | erot = 2.52283864584182 | epot = -12.347931501182 | etot = -8.37462303464031 -365000 ekin = 1.44693366152056 | erot = 2.47609933176571 | epot = -12.2976560275495 | etot = -8.3746230342632 -366000 ekin = 1.44366094468055 | erot = 2.4140112633753 | epot = -12.2322952418927 | etot = -8.37462303383685 -367000 ekin = 1.44416618229195 | erot = 2.33969773429606 | epot = -12.1584869500116 | etot = -8.3746230334236 -368000 ekin = 1.45154164412086 | erot = 2.25648465084979 | epot = -12.0826493280444 | etot = -8.37462303307378 -369000 ekin = 1.46802482611048 | erot = 2.16757470029764 | epot = -12.0102225592251 | etot = -8.374623032817 -370000 ekin = 1.49468484157928 | erot = 2.07591739973036 | epot = -11.9452252739682 | etot = -8.37462303265854 -371000 ekin = 1.53128479294051 | erot = 1.98426522628833 | epot = -11.8901730518124 | etot = -8.37462303258357 -372000 ekin = 1.57634160155561 | erot = 1.89533626064572 | epot = -11.8463008947682 | etot = -8.37462303256687 -373000 ekin = 1.62736107596654 | erot = 1.81196417168862 | epot = -11.8139482802383 | etot = -8.37462303258315 -374000 ekin = 1.68119274504178 | erot = 1.73713269144164 | epot = -11.7929484690967 | etot = -8.37462303261329 -375000 ekin = 1.73444043052866 | erot = 1.67385884334747 | epot = -11.7829223065195 | etot = -8.3746230326434 -376000 ekin = 1.7838758614395 | erot = 1.62497473906432 | epot = -11.7834736331734 | etot = -8.37462303266957 -377000 ekin = 1.8264818609192 | erot = 1.59275354369267 | epot = -11.7938584374905 | etot = -8.3746230328786 -378000 ekin = 1.85889028460788 | erot = 1.57838589666728 | epot = -11.8118992141862 | etot = -8.37462303291103 -379000 ekin = 1.87974734421377 | erot = 1.58231910072918 | epot = -11.8366894778912 | etot = -8.3746230329482 -380000 ekin = 1.88876618247951 | erot = 1.60397852042908 | epot = -11.8673677359266 | etot = -8.37462303301803 -381000 ekin = 1.88634387025611 | erot = 1.64162253507735 | epot = -11.9025894384722 | etot = -8.37462303313873 -382000 ekin = 1.87329602399998 | erot = 1.69239968364376 | epot = -11.9403187409518 | etot = -8.37462303330804 -383000 ekin = 1.85067766912106 | erot = 1.75260724974019 | epot = -11.9779079523652 | etot = -8.37462303350397 -384000 ekin = 1.81972884480784 | erot = 1.81808771261072 | epot = -12.0124395911118 | etot = -8.37462303369321 -385000 ekin = 1.78192764777047 | erot = 1.8846313378676 | epot = -12.041182019504 | etot = -8.3746230338659 -386000 ekin = 1.73896117301596 | erot = 1.94830024178193 | epot = -12.0618844487821 | etot = -8.37462303398425 -387000 ekin = 1.69261703956648 | erot = 2.00550933075379 | epot = -12.0727494044584 | etot = -8.37462303413813 -388000 ekin = 1.64442362565029 | erot = 2.05290262288177 | epot = -12.0719492828234 | etot = -8.3746230342913 -389000 ekin = 1.59562809726279 | erot = 2.08769097010093 | epot = -12.0579421017191 | etot = -8.37462303435535 -390000 ekin = 1.54727258078745 | erot = 2.10804034821841 | epot = -12.0299359634133 | etot = -8.3746230344074 -391000 ekin = 1.50042668689197 | erot = 2.11301685840032 | epot = -11.9880665795736 | etot = -8.37462303428126 -392000 ekin = 1.45669956782597 | erot = 2.10352612083801 | epot = -11.9348487226021 | etot = -8.37462303393817 -393000 ekin = 1.41857599108996 | erot = 2.0826321347131 | epot = -11.8758311591979 | etot = -8.37462303339481 -394000 ekin = 1.3893261262781 | erot = 2.05528425943378 | epot = -11.8192334184605 | etot = -8.37462303274866 -395000 ekin = 1.37246101478385 | erot = 2.02739319427127 | epot = -11.7744772412142 | etot = -8.37462303215908 -396000 ekin = 1.3707890798786 | erot = 2.00445159240551 | epot = -11.749863704081 | etot = -8.37462303179692 -397000 ekin = 1.38538853999914 | erot = 1.9901130253752 | epot = -11.7501245971563 | etot = -8.37462303178196 -398000 ekin = 1.41490531161682 | erot = 1.98519641778307 | epot = -11.7747247615386 | etot = -8.37462303213875 -399000 ekin = 1.45547085036336 | erot = 1.98743025594694 | epot = -11.8175241391048 | etot = -8.37462303279453 -400000 ekin = 1.50126526406668 | erot = 1.99196444869264 | epot = -11.8678527463719 | etot = -8.37462303361261 -401000 ekin = 1.54549713891568 | erot = 1.99242148352413 | epot = -11.9125416568766 | etot = -8.37462303443679 -402000 ekin = 1.58148802753477 | erot = 1.98217540610567 | epot = -11.9382864687619 | etot = -8.37462303512143 -403000 ekin = 1.60364407572881 | erot = 1.9556344645944 | epot = -11.9339015758642 | etot = -8.37462303554099 -404000 ekin = 1.60823718231487 | erot = 1.90940860689026 | epot = -11.8922688248051 | etot = -8.37462303559999 -405000 ekin = 1.59393186875452 | erot = 1.84321418438557 | epot = -11.8117690883978 | etot = -8.37462303525771 -406000 ekin = 1.56197926550493 | erot = 1.76026394072102 | epot = -11.696866240782 | etot = -8.37462303455608 -407000 ekin = 1.51595319782311 | erot = 1.66689496115276 | epot = -11.5574711925966 | etot = -8.37462303362071 -408000 ekin = 1.46103089399052 | erot = 1.57144700034413 | epot = -11.4071009269554 | etot = -8.37462303262075 -409000 ekin = 1.40302353808213 | erot = 1.48274963105035 | epot = -11.2603962008455 | etot = -8.37462303171298 -410000 ekin = 1.34747963365293 | erot = 1.40871679572301 | epot = -11.1308194603669 | etot = -8.37462303099097 -411000 ekin = 1.24142842928345 | erot = 1.3676589102725 | epot = -10.983710354595 | etot = -8.37462301503906 -412000 ekin = 1.07606206466684 | erot = 1.44463891803659 | epot = -10.895323988422 | etot = -8.37462300571856 -413000 ekin = 1.0469492246958 | erot = 1.51102600613229 | epot = -10.9325982588143 | etot = -8.37462302798624 -414000 ekin = 1.03606467090329 | erot = 1.52895884328701 | epot = -10.9396465423135 | etot = -8.37462302812324 -415000 ekin = 1.03698178421953 | erot = 1.56970634086083 | epot = -10.9813111534877 | etot = -8.37462302840732 -416000 ekin = 1.04842794421656 | erot = 1.63005774223169 | epot = -11.0531087152564 | etot = -8.37462302880815 -417000 ekin = 1.06841333535611 | erot = 1.70571770479117 | epot = -11.1487540694412 | etot = -8.37462302929392 -418000 ekin = 1.09444701005052 | erot = 1.79158405306285 | epot = -11.2606540929514 | etot = -8.374623029838 -419000 ekin = 1.12371544113025 | erot = 1.88200392342439 | epot = -11.3803423949703 | etot = -8.37462303041567 -420000 ekin = 1.15322596863697 | erot = 1.97103956947911 | epot = -11.4988885691119 | etot = -8.37462303099584 -421000 ekin = 1.17996638670183 | erot = 2.05281125535609 | epot = -11.6074006735882 | etot = -8.37462303153032 -422000 ekin = 1.201150629811 | erot = 2.12197272517913 | epot = -11.6977463869433 | etot = -8.37462303195322 -423000 ekin = 1.21456879342709 | erot = 2.17429924607153 | epot = -11.7634910716962 | etot = -8.37462303219755 -424000 ekin = 1.21895541018766 | erot = 2.20725430505394 | epot = -11.8008327474642 | etot = -8.37462303222256 -425000 ekin = 1.21420953470709 | erot = 2.22030001430835 | epot = -11.8091325810571 | etot = -8.37462303204169 -426000 ekin = 1.20134505265786 | erot = 2.21476142814848 | epot = -11.7907295125128 | etot = -8.37462303170646 -427000 ekin = 1.18219319315386 | erot = 2.19340434236612 | epot = -11.7502205668101 | etot = -8.37462303129015 -428000 ekin = 1.15899921940896 | erot = 2.15981652249743 | epot = -11.6934387727642 | etot = -8.37462303085781 -429000 ekin = 1.13415683500777 | erot = 2.11790831242985 | epot = -11.626688176254 | etot = -8.37462302881639 -430000 ekin = 1.11403963820945 | erot = 2.07460238347142 | epot = -11.5632650504412 | etot = -8.37462302876033 -431000 ekin = 1.10124843427927 | erot = 2.03325324115979 | epot = -11.5091247042067 | etot = -8.37462302876769 -432000 ekin = 1.09509673682025 | erot = 1.9941469470348 | epot = -11.463866712691 | etot = -8.3746230288359 -433000 ekin = 1.09463609314599 | erot = 1.9571134858218 | epot = -11.4263726079113 | etot = -8.37462302894346 -434000 ekin = 1.09809472012928 | erot = 1.92111283569796 | epot = -11.3938305852077 | etot = -8.37462302938051 -435000 ekin = 1.10341624338772 | erot = 1.8849214283028 | epot = -11.3629607010957 | etot = -8.37462302940516 -436000 ekin = 1.11020757162788 | erot = 1.84854231975879 | epot = -11.3333729208359 | etot = -8.37462302944924 -437000 ekin = 1.11803889537718 | erot = 1.81186902511188 | epot = -11.3045309499972 | etot = -8.37462302950813 -438000 ekin = 1.12642172160212 | erot = 1.77470718111906 | epot = -11.2757519322947 | etot = -8.37462302957348 -439000 ekin = 1.13485148153857 | erot = 1.73686282079504 | epot = -11.2463373319668 | etot = -8.37462302963316 -440000 ekin = 1.14287335820557 | erot = 1.69826079507258 | epot = -11.2157571829501 | etot = -8.37462302967201 -441000 ekin = 1.15016795453 | erot = 1.65908318343106 | epot = -11.1838741676308 | etot = -8.37462302966978 -442000 ekin = 1.15664284201482 | erot = 1.6199231351832 | epot = -11.1511890068214 | etot = -8.37462302962339 -443000 ekin = 1.16253418069017 | erot = 1.58179210099589 | epot = -11.1189493112081 | etot = -8.37462302952203 -444000 ekin = 1.16846798531274 | erot = 1.54614466613438 | epot = -11.0892356808159 | etot = -8.37462302936875 -445000 ekin = 1.17546820346638 | erot = 1.51479732961113 | epot = -11.0648885622563 | etot = -8.37462302917878 -446000 ekin = 1.18488743024717 | erot = 1.48973802088361 | epot = -11.0492484801107 | etot = -8.37462302897993 -447000 ekin = 1.19824347153684 | erot = 1.4728428998067 | epot = -11.045709400153 | etot = -8.37462302880946 -448000 ekin = 1.21696535091614 | erot = 1.46554765995659 | epot = -11.057136039583 | etot = -8.37462302871022 -449000 ekin = 1.24207954598622 | erot = 1.4685127109392 | epot = -11.0852152856451 | etot = -8.37462302871963 -450000 ekin = 1.27389445230429 | erot = 1.48136016742347 | epot = -11.1298776485977 | etot = -8.37462302886998 -451000 ekin = 1.31179903842897 | erot = 1.50255470267787 | epot = -11.1889767701169 | etot = -8.37462302901007 -452000 ekin = 1.35460859520486 | erot = 1.52989164327214 | epot = -11.2591232679092 | etot = -8.37462302943224 -453000 ekin = 1.39989469250173 | erot = 1.55983588432776 | epot = -11.3343536067683 | etot = -8.37462302993882 -454000 ekin = 1.44437957549661 | erot = 1.58822152329951 | epot = -11.4072241292539 | etot = -8.37462303045782 -455000 ekin = 1.48456015878224 | erot = 1.61103616004378 | epot = -11.4702193497299 | etot = -8.37462303090385 -456000 ekin = 1.51733329615318 | erot = 1.62510652435346 | epot = -11.517062851697 | etot = -8.37462303119032 -457000 ekin = 1.5402924579761 | erot = 1.62854015385613 | epot = -11.5434556431069 | etot = -8.37462303127466 -458000 ekin = 1.55209787062734 | erot = 1.62122255615373 | epot = -11.5479434578271 | etot = -8.37462303104604 -459000 ekin = 1.55414659187724 | erot = 1.60571991112735 | epot = -11.534489533587 | etot = -8.37462303058242 -460000 ekin = 1.54960099436809 | erot = 1.58640018749714 | epot = -11.5106242118318 | etot = -8.37462302996654 -461000 ekin = 1.54273124224903 | erot = 1.56872252266296 | epot = -11.4860767942369 | etot = -8.37462302932495 -462000 ekin = 1.53795589449111 | erot = 1.5582592991952 | epot = -11.4708382224909 | etot = -8.37462302880455 -463000 ekin = 1.53875903307997 | erot = 1.55959299575739 | epot = -11.4729750573638 | etot = -8.3746230285264 -464000 ekin = 1.5468202951189 | erot = 1.57534186894895 | epot = -11.4967851926234 | etot = -8.37462302855553 -465000 ekin = 1.5616294650255 | erot = 1.60564212072996 | epot = -11.5418946146276 | etot = -8.37462302887219 -466000 ekin = 1.58070265304393 | erot = 1.64822662156127 | epot = -11.603552303988 | etot = -8.37462302938276 -467000 ekin = 1.60035208027376 | erot = 1.69905719079026 | epot = -11.6740323010118 | etot = -8.37462302994776 -468000 ekin = 1.61673623107391 | erot = 1.75335443246779 | epot = -11.7447136939717 | etot = -8.37462303042997 -469000 ekin = 1.6268308500714 | erot = 1.80670922025666 | epot = -11.8081631010573 | etot = -8.37462303072922 -470000 ekin = 1.62907239972708 | erot = 1.85596584024088 | epot = -11.8596612707757 | etot = -8.37462303080778 -471000 ekin = 1.62354687373172 | erot = 1.89966129170781 | epot = -11.8978311961317 | etot = -8.37462303069216 -472000 ekin = 1.61170510379399 | erot = 1.93800410341128 | epot = -11.9243322376449 | etot = -8.37462303043963 -473000 ekin = 1.59590324450823 | erot = 1.97246730642068 | epot = -11.942993581055 | etot = -8.37462303012609 -474000 ekin = 1.57886523181115 | erot = 2.0052614988155 | epot = -11.9587497604446 | etot = -8.3746230298179 -475000 ekin = 1.56312071578843 | erot = 2.03882982960528 | epot = -11.9765735749592 | etot = -8.37462302956554 -476000 ekin = 1.55063074695033 | erot = 2.07545668637289 | epot = -12.0007104627126 | etot = -8.37462302938941 -477000 ekin = 1.54263588410755 | erot = 2.1170423117264 | epot = -12.0343012251352 | etot = -8.37462302930124 -478000 ekin = 1.53956151541937 | erot = 2.16493101565526 | epot = -12.0791155603799 | etot = -8.37462302930528 -479000 ekin = 1.54104337297899 | erot = 2.21977101927769 | epot = -12.1354374216606 | etot = -8.37462302940391 -480000 ekin = 1.54600976096935 | erot = 2.28138261400517 | epot = -12.2020154045697 | etot = -8.37462302959523 -481000 ekin = 1.5528060602472 | erot = 2.34867771789131 | epot = -12.2761068080046 | etot = -8.37462302986605 -482000 ekin = 1.55937339634702 | erot = 2.41971772771426 | epot = -12.3537141542448 | etot = -8.3746230301835 -483000 ekin = 1.56350104452675 | erot = 2.49198464322954 | epot = -12.4301087182516 | etot = -8.37462303049528 -484000 ekin = 1.56314467772452 | erot = 2.56280026280573 | epot = -12.5005679712779 | etot = -8.37462303074763 -485000 ekin = 1.55677099189244 | erot = 2.62990187864922 | epot = -12.5612959014245 | etot = -8.37462303088287 -486000 ekin = 1.54362230241359 | erot = 2.69196691951186 | epot = -12.6102122528172 | etot = -8.37462303089175 -487000 ekin = 1.5238104379152 | erot = 2.74866369544762 | epot = -12.6470971641607 | etot = -8.37462303079786 -488000 ekin = 1.49822858843879 | erot = 2.80041322794163 | epot = -12.6732648470306 | etot = -8.37462303065017 -489000 ekin = 1.46832177710635 | erot = 2.84792010719105 | epot = -12.6908649147994 | etot = -8.37462303050195 -490000 ekin = 1.43580907600596 | erot = 2.89167668868156 | epot = -12.7021087950802 | etot = -8.37462303039268 -491000 ekin = 1.40244626498158 | erot = 2.9316206813094 | epot = -12.7086899766291 | etot = -8.37462303033812 -492000 ekin = 1.36987596423118 | erot = 2.96703118868649 | epot = -12.7115301832508 | etot = -8.37462303033312 -493000 ekin = 1.33956200675437 | erot = 2.99664446239339 | epot = -12.7108294995088 | etot = -8.37462303036106 -494000 ekin = 1.3127681632086 | erot = 3.01889804551742 | epot = -12.7062892391324 | etot = -8.37462303040635 -495000 ekin = 1.29052832589597 | erot = 3.03218505524697 | epot = -12.6973364116059 | etot = -8.37462303046299 -496000 ekin = 1.27356858864283 | erot = 3.0350229857791 | epot = -12.6832146049601 | etot = -8.37462303053819 -497000 ekin = 1.26217859738849 | erot = 3.02610963123598 | epot = -12.6629112592681 | etot = -8.37462303064358 -498000 ekin = 1.25609176092335 | erot = 3.00437387242604 | epot = -12.6350886640705 | etot = -8.37462303072112 -499000 ekin = 1.25448433544045 | erot = 2.96925958209619 | epot = -12.5983669483989 | etot = -8.37462303086226 -500000 ekin = 1.25592311954879 | erot = 2.92052794168349 | epot = -12.5510740922054 | etot = -8.37462303097314 -501000 ekin = 1.25866262015632 | erot = 2.85877857413469 | epot = -12.4920642252919 | etot = -8.37462303100091 -502000 ekin = 1.2610103010417 | erot = 2.78589367847612 | epot = -12.421527010423 | etot = -8.3746230309052 -503000 ekin = 1.26168224098171 | erot = 2.70525686265903 | epot = -12.3415621343142 | etot = -8.37462303067344 -504000 ekin = 1.26006875272983 | erot = 2.62162663921981 | epot = -12.2563184222836 | etot = -8.37462303033399 -505000 ekin = 1.25635230634192 | erot = 2.5406610185081 | epot = -12.1716363547687 | etot = -8.3746230299187 -506000 ekin = 1.25147361583174 | erot = 2.46829686832129 | epot = -12.0943935136462 | etot = -8.37462302949319 -507000 ekin = 1.24695832252164 | erot = 2.40991559866122 | epot = -12.0314969503117 | etot = -8.37462302912883 -508000 ekin = 1.24460011261649 | erot = 2.36947588934202 | epot = -11.9886990309674 | etot = -8.37462302900885 -509000 ekin = 1.24584437164828 | erot = 2.34837731731217 | epot = -11.9688447179543 | etot = -8.37462302899384 -510000 ekin = 1.25172041123361 | erot = 2.34550382347579 | epot = -11.9718472639353 | etot = -8.37462302922588 -511000 ekin = 1.26248317250715 | erot = 2.35680066398031 | epot = -11.9939068661965 | etot = -8.37462302970907 -512000 ekin = 1.27739486770184 | erot = 2.3752978884897 | epot = -12.0273157865857 | etot = -8.37462303039418 -513000 ekin = 1.29481021504986 | erot = 2.39185405428514 | epot = -12.0612873005101 | etot = -8.37462303117506 -514000 ekin = 1.31250889880426 | erot = 2.39651406027419 | epot = -12.0836459909739 | etot = -8.37462303189546 -515000 ekin = 1.32825052581585 | erot = 2.38037057726031 | epot = -12.0832441354508 | etot = -8.37462303237461 -516000 ekin = 1.34045831429004 | erot = 2.33760267994477 | epot = -12.0526840266922 | etot = -8.37462303245741 -517000 ekin = 1.34883924084187 | erot = 2.26713155444233 | epot = -11.9905938273613 | etot = -8.37462303207706 -518000 ekin = 1.35468550683679 | erot = 2.17326127006567 | epot = -11.9025698081983 | etot = -8.37462303129585 -519000 ekin = 1.36067339624038 | erot = 2.06494828515103 | epot = -11.8002447116801 | etot = -8.37462303028865 -520000 ekin = 1.37018582822438 | erot = 1.95390329836061 | epot = -11.6987121558631 | etot = -8.3746230292781 -521000 ekin = 1.38639579380191 | erot = 1.85221057840952 | epot = -11.6132294006716 | etot = -8.37462302846015 -522000 ekin = 1.41141432490479 | erot = 1.77022445533383 | epot = -11.5562618081968 | etot = -8.37462302795815 -523000 ekin = 1.44572356453344 | erot = 1.71520045870257 | epot = -11.5355470510526 | etot = -8.37462302781656 -524000 ekin = 1.48798145409679 | erot = 1.69073008317396 | epot = -11.5533345652857 | etot = -8.37462302801491 -525000 ekin = 1.53517683781673 | erot = 1.6968029606332 | epot = -11.6066028269435 | etot = -8.37462302849353 -526000 ekin = 1.58304900119248 | erot = 1.73025509475185 | epot = -11.6879271251181 | etot = -8.37462302917376 -527000 ekin = 1.62665879649442 | erot = 1.78540941264019 | epot = -11.7866912391056 | etot = -8.374623029971 -528000 ekin = 1.66100783108954 | erot = 1.8548065480344 | epot = -11.890437409923 | etot = -8.37462303079904 -529000 ekin = 1.68163863412964 | erot = 1.93001159413482 | epot = -11.9862732598315 | etot = -8.37462303156707 -530000 ekin = 1.6851862302745 | erot = 2.00252460865783 | epot = -12.0623338711126 | etot = -8.37462303218029 -531000 ekin = 1.66986059685934 | erot = 2.06478669656075 | epot = -12.1092703259691 | etot = -8.374623032549 -532000 ekin = 1.63581226896463 | erot = 2.1111667918467 | epot = -12.1216020934218 | etot = -8.37462303261044 -533000 ekin = 1.58529617178013 | erot = 2.13870511838882 | epot = -12.0986243225211 | etot = -8.37462303235218 -534000 ekin = 1.52254564095829 | erot = 2.14737698822929 | epot = -12.0445456610111 | etot = -8.37462303182353 -535000 ekin = 1.45332420577031 | erot = 2.13977370493955 | epot = -11.9677209418325 | etot = -8.37462303112261 -536000 ekin = 1.38421691011895 | erot = 2.12031314070428 | epot = -11.8791530811919 | etot = -8.37462303036864 -537000 ekin = 1.32180342899929 | erot = 2.09425520394406 | epot = -11.7906816626133 | etot = -8.37462302966991 -538000 ekin = 1.27187743420573 | erot = 2.06681107588934 | epot = -11.7133115391993 | etot = -8.37462302910426 -539000 ekin = 1.23883846279537 | erot = 2.04251647933667 | epot = -11.6559779708476 | etot = -8.37462302871558 -540000 ekin = 1.22531302703425 | erot = 2.02488499742798 | epot = -11.6248210529832 | etot = -8.37462302852096 -541000 ekin = 1.23199882291205 | erot = 2.01625749304676 | epot = -11.6228793444808 | etot = -8.37462302852195 -542000 ekin = 1.25769219451248 | erot = 2.01774880495238 | epot = -11.6500640281746 | etot = -8.37462302870978 -543000 ekin = 1.29945731407308 | erot = 2.02924170402515 | epot = -11.7033220471641 | etot = -8.37462302906591 -544000 ekin = 1.35291512122318 | erot = 2.04944893327204 | epot = -11.7769870840498 | etot = -8.37462302955459 -545000 ekin = 1.41265384122289 | erot = 2.07611668223704 | epot = -11.8633935535769 | etot = -8.37462303011699 -546000 ekin = 1.47277167575315 | erot = 2.10644216881038 | epot = -11.9538368752322 | etot = -8.37462303066866 -547000 ekin = 1.52754093319635 | erot = 2.13770468829281 | epot = -12.0398686526028 | etot = -8.37462303111365 -548000 ekin = 1.57213155238919 | erot = 2.16798237176649 | epot = -12.1147369555237 | etot = -8.37462303136797 -549000 ekin = 1.60327488859445 | erot = 2.19671767496084 | epot = -12.1746155949423 | etot = -8.37462303138697 -550000 ekin = 1.61972434376709 | erot = 2.22489244333565 | epot = -12.219239818284 | etot = -8.37462303118126 -551000 ekin = 1.62240013870483 | erot = 2.25470593136133 | epot = -12.2517291008792 | etot = -8.37462303081309 -552000 ekin = 1.61417495562361 | erot = 2.28884205647118 | epot = -12.2776400424738 | etot = -8.37462303037905 -553000 ekin = 1.59932782091749 | erot = 2.32954987377768 | epot = -12.3035007246832 | etot = -8.37462302998807 -554000 ekin = 1.5827459906671 | erot = 2.3777881761324 | epot = -12.3351571965401 | etot = -8.37462302974062 -555000 ekin = 1.56899856385031 | erot = 2.43263226771804 | epot = -12.3762538612779 | etot = -8.37462302970954 -556000 ekin = 1.56145041157602 | erot = 2.49106505511668 | epot = -12.4271384966169 | etot = -8.37462302992416 -557000 ekin = 1.56197837218677 | erot = 2.54829507223601 | epot = -12.4848964746456 | etot = -8.37462303022277 -558000 ekin = 1.57029216551734 | erot = 2.59810209182387 | epot = -12.5430172882088 | etot = -8.37462303086757 -559000 ekin = 1.58339818320791 | erot = 2.63367391511495 | epot = -12.5916951298592 | etot = -8.3746230315363 -560000 ekin = 1.59712770481022 | erot = 2.64904697988658 | epot = -12.6207977168081 | etot = -8.37462303211135 -561000 ekin = 1.60698123343006 | erot = 2.64009683894503 | epot = -12.6217011048634 | etot = -8.37462303248831 -562000 ekin = 1.60896027782097 | erot = 2.60532700120818 | epot = -12.5889103116217 | etot = -8.37462303259257 -563000 ekin = 1.60023696633043 | erot = 2.54649193869621 | epot = -12.5213519373451 | etot = -8.37462303231848 -564000 ekin = 1.57955774677214 | erot = 2.46891092806291 | epot = -12.4230917066634 | etot = -8.37462303182835 -565000 ekin = 1.54734561566674 | erot = 2.38031455632116 | epot = -12.3022832030957 | etot = -8.3746230311078 -566000 ekin = 1.5055446855442 | erot = 2.29049479450215 | epot = -12.1706625102933 | etot = -8.37462303024697 -567000 ekin = 1.45732250665219 | erot = 2.21025028826183 | epot = -12.0421958242629 | etot = -8.37462302934887 -568000 ekin = 1.40671207380929 | erot = 2.15003703753047 | epot = -11.9313721398977 | etot = -8.3746230285579 -569000 ekin = 1.35794157949263 | erot = 2.11775595086814 | epot = -11.8503205583487 | etot = -8.37462302798794 -570000 ekin = 1.31523212119468 | erot = 2.11799693943003 | epot = -11.8078520883709 | etot = -8.37462302774614 -571000 ekin = 1.28243871605086 | erot = 2.15081941192853 | epot = -11.8078811559413 | etot = -8.37462302796192 -572000 ekin = 1.26220633019376 | erot = 2.2102703424972 | epot = -11.8470997013807 | etot = -8.37462302868972 -573000 ekin = 1.25525341535257 | erot = 2.28456705415208 | epot = -11.9144434992943 | etot = -8.37462302978967 -574000 ekin = 1.26030251434112 | erot = 2.35813787036021 | epot = -11.9930634156831 | etot = -8.37462303098173 -575000 ekin = 1.2747321562316 | erot = 2.41511328226678 | epot = -12.0644684704335 | etot = -8.37462303193515 -576000 ekin = 1.29562562245951 | erot = 2.44294920216406 | epot = -12.1131978571128 | etot = -8.37462303248922 -577000 ekin = 1.32065634432137 | erot = 2.4343858678001 | epot = -12.129665244697 | etot = -8.37462303257555 -578000 ekin = 1.34847271375488 | erot = 2.38804498568619 | epot = -12.1111407317151 | etot = -8.37462303227407 -579000 ekin = 1.37859640731489 | erot = 2.30759327889185 | epot = -12.0608127179344 | etot = -8.37462303172763 -580000 ekin = 1.41115339286507 | erot = 2.20016188412019 | epot = -11.9859383079394 | etot = -8.37462303095417 -581000 ekin = 1.44674776515311 | erot = 2.07475133368239 | epot = -11.8961221291764 | etot = -8.3746230303409 -582000 ekin = 1.4851482181056 | erot = 1.94050793885046 | epot = -11.8002791867472 | etot = -8.37462302979113 -583000 ekin = 1.52576266955674 | erot = 1.80603709651288 | epot = -11.7064227954087 | etot = -8.37462302933907 -584000 ekin = 1.56772288057633 | erot = 1.67887072897788 | epot = -11.6212166385574 | etot = -8.37462302900324 -585000 ekin = 1.60990333959043 | erot = 1.56509115871858 | epot = -11.5496175271048 | etot = -8.37462302879577 -586000 ekin = 1.65096359832029 | erot = 1.46905708282353 | epot = -11.4946437098695 | etot = -8.37462302872568 -587000 ekin = 1.68940411634564 | erot = 1.39319741551335 | epot = -11.4572245606547 | etot = -8.37462302879574 -588000 ekin = 1.7236417052592 | erot = 1.33790137443014 | epot = -11.4361661086849 | etot = -8.37462302899558 -589000 ekin = 1.75212209151151 | erot = 1.30158756259673 | epot = -11.4283326833832 | etot = -8.37462302927499 -590000 ekin = 1.7734877690591 | erot = 1.28111987725434 | epot = -11.4292306759286 | etot = -8.37462302961515 -591000 ekin = 1.78679652583164 | erot = 1.27228388602452 | epot = -11.4337034417691 | etot = -8.37462302991292 -592000 ekin = 1.79174476961307 | erot = 1.27074179820056 | epot = -11.4371095979203 | etot = -8.37462303010663 -593000 ekin = 1.78882244318556 | erot = 1.27295060806053 | epot = -11.4363960813899 | etot = -8.37462303014385 -594000 ekin = 1.77931578999128 | erot = 1.27682752830015 | epot = -11.4307663483171 | etot = -8.37462303002563 -595000 ekin = 1.76511936071165 | erot = 1.28196044220613 | epot = -11.4217028327155 | etot = -8.37462302979776 -596000 ekin = 1.74839643258916 | erot = 1.28931412525878 | epot = -11.4123335873789 | etot = -8.37462302953091 -597000 ekin = 1.73114837528962 | erot = 1.30076368908067 | epot = -11.4065350936649 | etot = -8.37462302929462 -598000 ekin = 1.71482586357112 | erot = 1.31808503745119 | epot = -11.4075339301702 | etot = -8.37462302914792 -599000 ekin = 1.70035612855311 | erot = 1.34256499056023 | epot = -11.4175441481798 | etot = -8.37462302906646 -600000 ekin = 1.68813838895978 | erot = 1.37518403996367 | epot = -11.4379454579681 | etot = -8.37462302904461 -601000 ekin = 1.67802155271441 | erot = 1.41656361607937 | epot = -11.4692081979158 | etot = -8.37462302912207 -602000 ekin = 1.66952241262264 | erot = 1.4666430273455 | epot = -11.5107884691303 | etot = -8.37462302916217 -603000 ekin = 1.66207455080015 | erot = 1.52486246590599 | epot = -11.5615600459972 | etot = -8.3746230292911 -604000 ekin = 1.65429274424403 | erot = 1.59090716726236 | epot = -11.6198229408972 | etot = -8.37462302939085 -605000 ekin = 1.64513458460529 | erot = 1.66451963176718 | epot = -11.6842772458403 | etot = -8.37462302946786 -606000 ekin = 1.63397297141698 | erot = 1.74533329764484 | epot = -11.7539292986205 | etot = -8.3746230295587 -607000 ekin = 1.62046446185711 | erot = 1.83246852419141 | epot = -11.8275560158107 | etot = -8.37462302976218 -608000 ekin = 1.60415138615035 | erot = 1.92384516554888 | epot = -11.9026195817841 | etot = -8.37462303008485 -609000 ekin = 1.58416607277181 | erot = 2.01562004721373 | epot = -11.9744091506942 | etot = -8.37462303070865 -610000 ekin = 1.55892234884572 | erot = 2.10126039812651 | epot = -12.0348057783744 | etot = -8.37462303140216 -611000 ekin = 1.52586403282394 | erot = 2.17351542350385 | epot = -12.0740024883752 | etot = -8.37462303204737 -612000 ekin = 1.48252796781607 | erot = 2.22604744671485 | epot = -12.08319844693 | etot = -8.37462303239904 -613000 ekin = 1.42777710478085 | erot = 2.25549715886452 | epot = -12.0578972959105 | etot = -8.37462303226511 -614000 ekin = 1.3628430267639 | erot = 2.26309761368147 | epot = -12.0005636720633 | etot = -8.3746230316179 -615000 ekin = 1.29166682111812 | erot = 2.25472033316445 | epot = -11.9210101848959 | etot = -8.37462303061333 -616000 ekin = 1.22033159946011 | erot = 2.23929049959926 | epot = -11.8342451285637 | etot = -8.37462302950437 -617000 ekin = 1.15585313013231 | erot = 2.22643765863228 | epot = -11.7569138172907 | etot = -8.3746230285261 -618000 ekin = 1.10482633868852 | erot = 2.22445549379376 | epot = -11.7039048603085 | etot = -8.37462302782626 -619000 ekin = 1.07233800596022 | erot = 2.23915844396351 | epot = -11.6861194773919 | etot = -8.37462302746814 -620000 ekin = 1.06133969548983 | erot = 2.27356598266004 | epot = -11.7095287055634 | etot = -8.37462302741356 -621000 ekin = 1.07250328126401 | erot = 2.32827640438157 | epot = -11.7754027132578 | etot = -8.37462302761218 -622000 ekin = 1.1044829924491 | erot = 2.40202886261627 | epot = -11.8811348830564 | etot = -8.374623027991 -623000 ekin = 1.15443583440766 | erot = 2.49214268564081 | epot = -12.0212015485464 | etot = -8.37462302849796 -624000 ekin = 1.21858504498424 | erot = 2.5947997927632 | epot = -12.18800786685 | etot = -8.37462302910256 -625000 ekin = 1.29260009293184 | erot = 2.70513041487812 | epot = -12.3723535376525 | etot = -8.37462302984255 -626000 ekin = 1.37166908701492 | erot = 2.81669294847818 | epot = -12.5629850662672 | etot = -8.37462303077413 -627000 ekin = 1.45036408326109 | erot = 2.92095656626005 | epot = -12.7459436814237 | etot = -8.37462303190255 -628000 ekin = 1.52265779658264 | erot = 3.00738157699458 | epot = -12.9046624066692 | etot = -8.37462303309196 -629000 ekin = 1.58251554245296 | erot = 3.06484099788415 | epot = -13.0219795743847 | etot = -8.3746230340476 -630000 ekin = 1.62514418880762 | erot = 3.08443014421921 | epot = -13.0841973674672 | etot = -8.37462303444039 -631000 ekin = 1.64954255051894 | erot = 3.06336922299649 | epot = -13.0875348072763 | etot = -8.37462303376085 -632000 ekin = 1.65761419154519 | erot = 3.00573585957028 | epot = -13.0379730840961 | etot = -8.37462303298061 -633000 ekin = 1.6517479509391 | erot = 2.91965232775885 | epot = -12.9460233106084 | etot = -8.37462303191049 -634000 ekin = 1.63566753657902 | erot = 2.81604656740808 | epot = -12.8263371348676 | etot = -8.3746230308805 -635000 ekin = 1.61303222683961 | erot = 2.70552755469806 | epot = -12.6931828116427 | etot = -8.37462303010504 -636000 ekin = 1.58646965555962 | erot = 2.5963371949764 | epot = -12.5574298801698 | etot = -8.37462302963381 -637000 ekin = 1.55730595136398 | erot = 2.49385627804023 | epot = -12.4257852588016 | etot = -8.37462302939739 -638000 ekin = 1.52584911625133 | erot = 2.40123459740287 | epot = -12.3017067429364 | etot = -8.37462302928216 -639000 ekin = 1.49192497641185 | erot = 2.32043250456993 | epot = -12.1869805101672 | etot = -8.37462302918542 -640000 ekin = 1.45541378442356 | erot = 2.25314232064229 | epot = -12.0831791341069 | etot = -8.374623029041 -641000 ekin = 1.41664919926921 | erot = 2.20135144253767 | epot = -11.9926236706291 | etot = -8.37462302882226 -642000 ekin = 1.376631358572 | erot = 2.16751840710179 | epot = -11.918772794211 | etot = -8.37462302853725 -643000 ekin = 1.33719601643057 | erot = 2.15436138730356 | epot = -11.8661804319133 | etot = -8.37462302817919 -644000 ekin = 1.30095460066741 | erot = 2.16433354913846 | epot = -11.839911177714 | etot = -8.37462302790811 -645000 ekin = 1.27009047740861 | erot = 2.19964354153175 | epot = -11.8443570466466 | etot = -8.37462302770626 -646000 ekin = 1.24673444984187 | erot = 2.26154821905476 | epot = -11.8829056965369 | etot = -8.37462302764027 -647000 ekin = 1.23265873216219 | erot = 2.34972644270293 | epot = -11.9570082026423 | etot = -8.37462302777716 -648000 ekin = 1.2285470414815 | erot = 2.46146984669589 | epot = -12.0646399168505 | etot = -8.37462302867306 -649000 ekin = 1.2312343827645 | erot = 2.5891828411036 | epot = -12.1950402535055 | etot = -8.37462302963742 -650000 ekin = 1.23733747326857 | erot = 2.72274115030274 | epot = -12.3347016542761 | etot = -8.37462303070479 -651000 ekin = 1.2428991851106 | erot = 2.85114575375435 | epot = -12.4686679705912 | etot = -8.37462303172626 -652000 ekin = 1.24424620799569 | erot = 2.96370857038951 | epot = -12.582577810847 | etot = -8.37462303246178 -653000 ekin = 1.23918232849206 | erot = 3.05217314602615 | epot = -12.6659785072747 | etot = -8.37462303275648 -654000 ekin = 1.22772861476413 | erot = 3.11212236728161 | epot = -12.7144740146629 | etot = -8.37462303261719 -655000 ekin = 1.21201905899387 | erot = 3.14303840851451 | epot = -12.7296804996997 | etot = -8.37462303219133 -656000 ekin = 1.1954374432854 | erot = 3.14720435564397 | epot = -12.7172648305973 | etot = -8.37462303166789 -657000 ekin = 1.18149305106227 | erot = 3.12826014301131 | epot = -12.6843762252558 | etot = -8.37462303118225 -658000 ekin = 1.17296379520024 | erot = 3.09016086422142 | epot = -12.6377476902079 | etot = -8.37462303078623 -659000 ekin = 1.17154758057418 | erot = 3.03675236921232 | epot = -12.582922980259 | etot = -8.37462303047247 -660000 ekin = 1.17794903027368 | erot = 2.97172379744613 | epot = -12.5242958579375 | etot = -8.37462303021774 -661000 ekin = 1.19217998580361 | erot = 2.89858436848302 | epot = -12.465387384301 | etot = -8.37462303001441 -662000 ekin = 1.21385724617909 | erot = 2.8204360835798 | epot = -12.4089163596437 | etot = -8.37462302988477 -663000 ekin = 1.24235148672387 | erot = 2.73948706946881 | epot = -12.3564615860714 | etot = -8.3746230298787 -664000 ekin = 1.27672733537756 | erot = 2.65640555000488 | epot = -12.3077559154361 | etot = -8.37462303005371 -665000 ekin = 1.3155133703301 | erot = 2.56977925410127 | epot = -12.259915654865 | etot = -8.37462303043361 -666000 ekin = 1.35644708325268 | erot = 2.47610382427562 | epot = -12.2071739384901 | etot = -8.37462303096184 -667000 ekin = 1.39640549571966 | erot = 2.37072397310103 | epot = -12.141752500303 | etot = -8.37462303148232 -668000 ekin = 1.43167926156719 | erot = 2.24978389246461 | epot = -12.0560861858188 | etot = -8.37462303178698 -669000 ekin = 1.45855421041098 | erot = 2.1125387740665 | epot = -11.9457160161998 | etot = -8.3746230317223 -670000 ekin = 1.4739508646895 | erot = 1.96284004635527 | epot = -11.811413942324 | etot = -8.37462303127918 -671000 ekin = 1.47583917683516 | erot = 1.80887360748583 | epot = -11.6593358149112 | etot = -8.37462303059023 -672000 ekin = 1.46334042173585 | erot = 1.66127989926278 | epot = -11.4992433508348 | etot = -8.37462302983621 -673000 ekin = 1.43665130212379 | erot = 1.53074210399054 | epot = -11.3420164352628 | etot = -8.37462302914845 -674000 ekin = 1.39696147641158 | erot = 1.4261974886037 | epot = -11.1977819935895 | etot = -8.37462302857419 -675000 ekin = 1.34640262234309 | erot = 1.35413730294751 | epot = -11.0751629533952 | etot = -8.37462302810457 -676000 ekin = 1.28794616800361 | erot = 1.31873912036471 | epot = -10.9813083160886 | etot = -8.3746230277203 -677000 ekin = 1.22516961115512 | erot = 1.32230065786699 | epot = -10.9220932964427 | etot = -8.3746230274206 -678000 ekin = 1.16189722958258 | erot = 1.36556643967189 | epot = -10.9020866964826 | etot = -8.3746230272281 -679000 ekin = 1.10179124612821 | erot = 1.44777635009357 | epot = -10.9241906234063 | etot = -8.37462302718452 -680000 ekin = 1.04797419612249 | erot = 1.56642353037808 | epot = -10.9890207538446 | etot = -8.37462302734408 -681000 ekin = 1.0027227986418 | erot = 1.71676662170909 | epot = -11.0941124481197 | etot = -8.37462302776882 -682000 ekin = 0.967238825856233 | erot = 1.8911823872756 | epot = -11.2330442416469 | etot = -8.37462302851509 -683000 ekin = 0.941511133160514 | erot = 2.07856636781677 | epot = -11.3947005305749 | etot = -8.37462302959759 -684000 ekin = 0.924337639173223 | erot = 2.26421473260651 | epot = -11.563175402715 | etot = -8.37462303093528 -685000 ekin = 0.913629093908647 | erot = 2.43080490188115 | epot = -11.7190570280992 | etot = -8.37462303230945 -686000 ekin = 0.907072709288103 | erot = 2.5609064397186 | epot = -11.8426021824015 | etot = -8.37462303339479 -687000 ekin = 0.903027971000719 | erot = 2.64065323918573 | epot = -11.9183042440776 | etot = -8.37462303389114 -688000 ekin = 0.901265997346188 | erot = 2.6631528356665 | epot = -11.9390418666978 | etot = -8.37462303368509 -689000 ekin = 0.903127291409492 | erot = 2.62989920641101 | epot = -11.9076495307305 | etot = -8.37462303290999 -690000 ekin = 0.911003410961571 | erot = 2.54949432632226 | epot = -11.8351207691344 | etot = -8.37462303185061 -691000 ekin = 0.927482290198771 | erot = 2.4345890933302 | epot = -11.7366944143114 | etot = -8.3746230307824 -692000 ekin = 0.954629968086057 | erot = 2.29871133595466 | epot = -11.6279643338859 | etot = -8.3746230298452 -693000 ekin = 0.993689842549661 | erot = 2.15457291081397 | epot = -11.5228857825773 | etot = -8.3746230292137 -694000 ekin = 1.04477766676423 | erot = 2.01224824489153 | epot = -11.4316489404319 | etot = -8.37462302877615 -695000 ekin = 1.10717972560328 | erot = 1.87902519875939 | epot = -11.360827952868 | etot = -8.37462302850538 -696000 ekin = 1.17962988094485 | erot = 1.76021636431916 | epot = -11.3144692736453 | etot = -8.37462302838133 -697000 ekin = 1.2603450806723 | erot = 1.6593933195001 | epot = -11.2943614285665 | etot = -8.37462302839413 -698000 ekin = 1.34700634148289 | erot = 1.57856058320758 | epot = -11.300189953228 | etot = -8.37462302853757 -699000 ekin = 1.43673776972643 | erot = 1.51829388886952 | epot = -11.3296546873983 | etot = -8.37462302880231 -700000 ekin = 1.52614311404927 | erot = 1.4778859710023 | epot = -11.3786521142197 | etot = -8.37462302916816 -701000 ekin = 1.61113170993981 | erot = 1.45542937143897 | epot = -11.441184111167 | etot = -8.37462302978825 -702000 ekin = 1.68654811959934 | erot = 1.44774835139973 | epot = -11.5089195013107 | etot = -8.37462303031159 -703000 ekin = 1.74804176728682 | erot = 1.45137774866603 | epot = -11.5740425467015 | etot = -8.37462303074865 -704000 ekin = 1.79223863051471 | erot = 1.463266771069 | epot = -11.6301284325925 | etot = -8.3746230310088 -705000 ekin = 1.81722742450292 | erot = 1.48152907261418 | epot = -11.6733795281508 | etot = -8.37462303103365 -706000 ekin = 1.82282717411087 | erot = 1.50598222607883 | epot = -11.7034324310159 | etot = -8.37462303082617 -707000 ekin = 1.81047570465443 | erot = 1.53820736290229 | epot = -11.7233060980094 | etot = -8.37462303045267 -708000 ekin = 1.78276828494856 | erot = 1.5810549503857 | epot = -11.7384462653514 | etot = -8.37462303001716 -709000 ekin = 1.74282721670422 | erot = 1.63779752304503 | epot = -11.7552477693651 | etot = -8.3746230296159 -710000 ekin = 1.69374790021974 | erot = 1.71129566719954 | epot = -11.7796665967228 | etot = -8.37462302930356 -711000 ekin = 1.63830193399518 | erot = 1.80347448194939 | epot = -11.8163994450321 | etot = -8.37462302908752 -712000 ekin = 1.57892460631358 | erot = 1.91516553832407 | epot = -11.8687131735881 | etot = -8.37462302895043 -713000 ekin = 1.51786752130003 | erot = 2.04613993381954 | epot = -11.9386304840005 | etot = -8.37462302888094 -714000 ekin = 1.45734042325197 | erot = 2.19509441547551 | epot = -12.02705786762 | etot = -8.37462302889253 -715000 ekin = 1.39951776248685 | erot = 2.35946536295189 | epot = -12.1336061544577 | etot = -8.37462302901895 -716000 ekin = 1.34639246829324 | erot = 2.53511986598303 | epot = -12.2561353635752 | etot = -8.37462302929896 -717000 ekin = 1.2995543227021 | erot = 2.71613012099382 | epot = -12.3903074734227 | etot = -8.37462302972674 -718000 ekin = 1.25989829927655 | erot = 2.89465680807112 | epot = -12.529178137729 | etot = -8.37462303038131 -719000 ekin = 1.22750607430035 | erot = 3.0609266584271 | epot = -12.6630557638755 | etot = -8.37462303114804 -720000 ekin = 1.20188187066626 | erot = 3.20425006665908 | epot = -12.7807549692629 | etot = -8.37462303193757 -721000 ekin = 1.18220717983388 | erot = 3.31414882432986 | epot = -12.8709790367794 | etot = -8.37462303261566 -722000 ekin = 1.16774608427155 | erot = 3.38185582435782 | epot = -12.9242249417163 | etot = -8.3746230330869 -723000 ekin = 1.15807318397684 | erot = 3.40183188750477 | epot = -12.9345281046215 | etot = -8.37462303313988 -724000 ekin = 1.15381445068197 | erot = 3.37321067522661 | epot = -12.9016481586615 | etot = -8.3746230327529 -725000 ekin = 1.15678266077648 | erot = 3.30036671004678 | epot = -12.8317724028176 | etot = -8.37462303199429 -726000 ekin = 1.1696197829841 | erot = 3.19222682083445 | epot = -12.7364696348434 | etot = -8.37462303102484 -727000 ekin = 1.19513165181306 | erot = 3.06063268781604 | epot = -12.6303873696639 | etot = -8.37462303003481 -728000 ekin = 1.23552066624288 | erot = 2.91835949412803 | epot = -12.528503189554 | etot = -8.37462302918309 -729000 ekin = 1.29175272909129 | erot = 2.77740116858225 | epot = -12.4437769262409 | etot = -8.37462302856741 -730000 ekin = 1.36319675322391 | erot = 2.64784734353971 | epot = -12.3856671249843 | etot = -8.37462302822068 -731000 ekin = 1.44757535461589 | erot = 2.5373686940048 | epot = -12.3595670767478 | etot = -8.37462302812714 -732000 ekin = 1.54119076310014 | erot = 2.45114849793169 | epot = -12.3669622892763 | etot = -8.37462302824445 -733000 ekin = 1.63933166940277 | erot = 2.39205275840519 | epot = -12.4060074563318 | etot = -8.37462302852384 -734000 ekin = 1.73673684349954 | erot = 2.36087235949882 | epot = -12.4722322319222 | etot = -8.37462302892382 -735000 ekin = 1.82801503458665 | erot = 2.35655963725895 | epot = -12.5591977012549 | etot = -8.37462302940934 -736000 ekin = 1.90799093496349 | erot = 2.37647912513091 | epot = -12.6590930900375 | etot = -8.37462302994312 -737000 ekin = 1.97201607374088 | erot = 2.4167506508678 | epot = -12.7633897550823 | etot = -8.37462303047367 -738000 ekin = 2.01630111185894 | erot = 2.47274745432201 | epot = -12.8636715971178 | etot = -8.3746230309369 -739000 ekin = 2.03827941487237 | erot = 2.53972508206368 | epot = -12.9526275282042 | etot = -8.37462303126812 -740000 ekin = 2.03693425613014 | erot = 2.61344505993422 | epot = -13.0250023474899 | etot = -8.37462303142556 -741000 ekin = 2.01297029115499 | erot = 2.6905926898588 | epot = -13.0781860124239 | etot = -8.37462303141013 -742000 ekin = 1.96872639115255 | erot = 2.768825663029 | epot = -13.1121750854509 | etot = -8.37462303126931 -743000 ekin = 1.90780895371572 | erot = 2.84642411506864 | epot = -13.1288560998665 | etot = -8.37462303108214 -744000 ekin = 1.8345263395222 | erot = 2.92167512844754 | epot = -13.1308244989033 | etot = -8.37462303093354 -745000 ekin = 1.75327142725026 | erot = 2.99223326162045 | epot = -13.1201277197558 | etot = -8.37462303088513 -746000 ekin = 1.66800377362375 | erot = 3.05470990306177 | epot = -13.0973367076427 | etot = -8.37462303095714 -747000 ekin = 1.58193446041863 | erot = 3.10466510764813 | epot = -13.0612225991804 | etot = -8.37462303111363 -748000 ekin = 1.49744243756517 | erot = 3.13708170333216 | epot = -13.0091471722161 | etot = -8.37462303131874 -749000 ekin = 1.41618008601908 | erot = 3.14699639332627 | epot = -12.9377995108354 | etot = -8.37462303149001 -750000 ekin = 1.33927892445982 | erot = 3.13031955346438 | epot = -12.8442215094966 | etot = -8.37462303157238 -751000 ekin = 1.26755716712042 | erot = 3.08449081841744 | epot = -12.7266710170775 | etot = -8.37462303153961 -752000 ekin = 1.20166403421557 | erot = 3.00876367724929 | epot = -12.5850507428598 | etot = -8.37462303139489 -753000 ekin = 1.14214671459751 | erot = 2.90415589317544 | epot = -12.420925638931 | etot = -8.3746230311581 -754000 ekin = 1.08946987137479 | erot = 2.77319742895417 | epot = -12.237290331179 | etot = -8.37462303085001 -755000 ekin = 1.0440339069345 | erot = 2.61963797728223 | epot = -12.0382949147008 | etot = -8.37462303048408 -756000 ekin = 1.00622473319045 | erot = 2.44820898510135 | epot = -11.8290567483582 | etot = -8.37462303006641 -757000 ekin = 0.976498427351231 | erot = 2.26449263382691 | epot = -11.61561409075 | etot = -8.37462302957185 -758000 ekin = 0.955485081992856 | erot = 2.07490082913416 | epot = -11.405008940184 | etot = -8.37462302905695 -759000 ekin = 0.943970421442231 | erot = 1.88597944059498 | epot = -11.2045728906044 | etot = -8.37462302856723 -760000 ekin = 0.94294318912847 | erot = 1.70391676485065 | epot = -11.0214829820796 | etot = -8.3746230281005 -761000 ekin = 0.953636819966077 | erot = 1.53434362883834 | epot = -10.8626034764908 | etot = -8.37462302768642 -762000 ekin = 0.977439463714333 | erot = 1.38197793547307 | epot = -10.7340404265375 | etot = -8.37462302735008 -763000 ekin = 1.01575214957369 | erot = 1.25038414094113 | epot = -10.6407593176248 | etot = -8.37462302710998 -764000 ekin = 1.06980632715205 | erot = 1.14186552721226 | epot = -10.5862948813435 | etot = -8.37462302697918 -765000 ekin = 1.14045321590921 | erot = 1.05746802222288 | epot = -10.572544265099 | etot = -8.37462302696695 -766000 ekin = 1.22794009365167 | erot = 0.997057737111095 | epot = -10.5996208578428 | etot = -8.37462302708006 -767000 ekin = 1.33169356855031 | erot = 0.959438204819042 | epot = -10.6657548006913 | etot = -8.3746230273219 -768000 ekin = 1.45013707581703 | erot = 0.942489485935499 | epot = -10.7672495894428 | etot = -8.37462302769026 -769000 ekin = 1.58057826605238 | erot = 0.943330765761073 | epot = -10.8985320599873 | etot = -8.37462302817388 -770000 ekin = 1.71920830316292 | erot = 0.958522817508245 | epot = -11.0523541494183 | etot = -8.37462302874711 -771000 ekin = 1.86125297318996 | erot = 0.984329269144567 | epot = -11.220205271702 | etot = -8.37462302936751 -772000 ekin = 2.00111996073709 | erot = 1.01706547584897 | epot = -11.3928084666614 | etot = -8.37462303007532 -773000 ekin = 2.1317967939265 | erot = 1.05343215414609 | epot = -11.5598519787626 | etot = -8.37462303068999 -774000 ekin = 2.24724323873757 | erot = 1.09038833141808 | epot = -11.7122546013415 | etot = -8.37462303118583 -775000 ekin = 2.34263593747233 | erot = 1.12564496607848 | epot = -11.8429039350699 | etot = -8.37462303151911 -776000 ekin = 2.41469510966418 | erot = 1.15782091195824 | epot = -11.947139053297 | etot = -8.37462303167463 -777000 ekin = 2.4619556450855 | erot = 1.18638590330236 | epot = -12.0229645800573 | etot = -8.37462303166939 -778000 ekin = 2.48471522536204 | erot = 1.21145891744653 | epot = -12.0707971743579 | etot = -8.3746230315493 -779000 ekin = 2.4846604780691 | erot = 1.2335280968423 | epot = -12.0928116062859 | etot = -8.37462303137446 -780000 ekin = 2.46428568677061 | erot = 1.25319615838862 | epot = -12.0921048763539 | etot = -8.37462303119463 -781000 ekin = 2.42632307022458 | erot = 1.27107093313009 | epot = -12.0720170343794 | etot = -8.37462303102472 -782000 ekin = 2.3734174717913 | erot = 1.28787882377807 | epot = -12.0359193264086 | etot = -8.37462303083922 -783000 ekin = 2.30815170371841 | erot = 1.30476531775884 | epot = -11.9875400520689 | etot = -8.37462303059164 -784000 ekin = 2.23331824904295 | erot = 1.32360971124808 | epot = -11.9315509905412 | etot = -8.37462303025017 -785000 ekin = 2.1521766671689 | erot = 1.34711489735433 | epot = -11.8739145943554 | etot = -8.37462302983219 -786000 ekin = 2.0684394078588 | erot = 1.37850506799305 | epot = -11.8215675052583 | etot = -8.37462302940647 -787000 ekin = 1.98588342004498 | erot = 1.42085370631113 | epot = -11.7813601554292 | etot = -8.37462302907311 -788000 ekin = 1.90769396723937 | erot = 1.4762681420715 | epot = -11.7585851382311 | etot = -8.37462302892024 -789000 ekin = 1.83580155857719 | erot = 1.54525606071323 | epot = -11.7556806482768 | etot = -8.37462302898641 -790000 ekin = 1.77050160314919 | erot = 1.62653131911791 | epot = -11.7716559515123 | etot = -8.37462302924516 -791000 ekin = 1.71053482190188 | erot = 1.71731536906227 | epot = -11.8024732205822 | etot = -8.37462302961806 -792000 ekin = 1.65360852455023 | erot = 1.81397519201505 | epot = -11.8422067465732 | etot = -8.37462303000797 -793000 ekin = 1.59715988493776 | erot = 1.9127367140395 | epot = -11.884519629309 | etot = -8.37462303033172 -794000 ekin = 1.53909469766649 | erot = 2.01023412205765 | epot = -11.9239518502759 | etot = -8.37462303055179 -795000 ekin = 1.47829524950051 | erot = 2.1038294102128 | epot = -11.9567476903362 | etot = -8.3746230306229 -796000 ekin = 1.41481662089948 | erot = 2.19194291994204 | epot = -11.9813825714066 | etot = -8.37462303056506 -797000 ekin = 1.3498130825007 | erot = 2.27401207106091 | epot = -11.9984481839611 | etot = -8.37462303039944 -798000 ekin = 1.28529636431119 | erot = 2.35042093010661 | epot = -12.0103403245736 | etot = -8.37462303015585 -799000 ekin = 1.22381948474414 | erot = 2.42233570221925 | epot = -12.0207782168147 | etot = -8.37462302985134 -800000 ekin = 1.16822785386793 | erot = 2.49143438534642 | epot = -12.0342852688262 | etot = -8.37462302961189 -801000 ekin = 1.12099278643146 | erot = 2.55928816630765 | epot = -12.0549039821764 | etot = -8.37462302943733 -802000 ekin = 1.08396505814664 | erot = 2.62689447863251 | epot = -12.0854825661075 | etot = -8.37462302932839 -803000 ekin = 1.05841636960378 | erot = 2.69442631110788 | epot = -12.1274657101682 | etot = -8.37462302945653 -804000 ekin = 1.04426779801641 | erot = 2.76024770981174 | epot = -12.1791385376429 | etot = -8.37462302981472 -805000 ekin = 1.03995925234054 | erot = 2.82046254234402 | epot = -12.2350448251546 | etot = -8.37462303047002 -806000 ekin = 1.0424963991489 | erot = 2.86897163061675 | epot = -12.2860910609799 | etot = -8.37462303121428 -807000 ekin = 1.04816653315864 | erot = 2.89850351396218 | epot = -12.3212930790659 | etot = -8.37462303194513 -808000 ekin = 1.05329972431587 | erot = 2.9018949304571 | epot = -12.329817687259 | etot = -8.37462303248604 -809000 ekin = 1.05511003117022 | erot = 2.87378175151955 | epot = -12.3035148153802 | etot = -8.37462303269046 -810000 ekin = 1.05231348649519 | erot = 2.81208782293289 | epot = -12.2390243419939 | etot = -8.37462303256581 -811000 ekin = 1.04519713626699 | erot = 2.71854122751437 | epot = -12.1383613957887 | etot = -8.37462303200729 -812000 ekin = 1.03556509620662 | erot = 2.59875418167188 | epot = -12.0089423090923 | etot = -8.37462303121384 -813000 ekin = 1.02617370806627 | erot = 2.46123250523916 | epot = -11.8620292436477 | etot = -8.37462303034231 -814000 ekin = 1.01993499389596 | erot = 2.31562695725385 | epot = -11.7101849806766 | etot = -8.37462302952681 -815000 ekin = 1.01938989930175 | erot = 2.17131439137989 | epot = -11.5653273195317 | etot = -8.37462302885002 -816000 ekin = 1.02641070194214 | erot = 2.036432477289 | epot = -11.4374662075757 | etot = -8.3746230283446 -817000 ekin = 1.04210163740904 | erot = 1.91741411147404 | epot = -11.3341387768941 | etot = -8.37462302801105 -818000 ekin = 1.06685452879826 | erot = 1.818921940678 | epot = -11.2603994972601 | etot = -8.37462302778386 -819000 ekin = 1.100440731457 | erot = 1.74396570048527 | epot = -11.2190294597218 | etot = -8.3746230277795 -820000 ekin = 1.14169134058291 | erot = 1.69367065616436 | epot = -11.2099850246628 | etot = -8.37462302791549 -821000 ekin = 1.18877552115673 | erot = 1.66758281677341 | epot = -11.2309813661147 | etot = -8.37462302818457 -822000 ekin = 1.23927394202831 | erot = 1.6637849463546 | epot = -11.2776819169572 | etot = -8.37462302857428 -823000 ekin = 1.29027861043636 | erot = 1.67905219550916 | epot = -11.3439538348918 | etot = -8.37462302894627 -824000 ekin = 1.33894050069293 | erot = 1.70948347746921 | epot = -11.4230470076235 | etot = -8.37462302946136 -825000 ekin = 1.38220508273179 | erot = 1.75044253331283 | epot = -11.5072706460178 | etot = -8.37462302997318 -826000 ekin = 1.4171029491027 | erot = 1.79708475167485 | epot = -11.5888107311858 | etot = -8.37462303040827 -827000 ekin = 1.44127249565024 | erot = 1.84518129447392 | epot = -11.66107682082 | etot = -8.37462303069581 -828000 ekin = 1.45335409116449 | erot = 1.8917823095111 | epot = -11.7197594314613 | etot = -8.37462303078572 -829000 ekin = 1.45330184509384 | erot = 1.93565038632077 | epot = -11.7635752620779 | etot = -8.37462303066324 -830000 ekin = 1.44253588753448 | erot = 1.97732673255233 | epot = -11.7944856504421 | etot = -8.37462303035527 -831000 ekin = 1.42321719807673 | erot = 2.01836652050623 | epot = -11.8162067486483 | etot = -8.37462303006532 -832000 ekin = 1.39798324787262 | erot = 2.06093497422807 | epot = -11.8335412516822 | etot = -8.3746230295815 -833000 ekin = 1.37122558103758 | erot = 2.10801499213557 | epot = -11.8538636023364 | etot = -8.37462302916327 -834000 ekin = 1.34739157346286 | erot = 2.16168408584085 | epot = -11.8836986881983 | etot = -8.37462302889461 -835000 ekin = 1.33033159138597 | erot = 2.22243990039942 | epot = -11.9273945206137 | etot = -8.37462302882836 -836000 ekin = 1.32279692350256 | erot = 2.28888168436755 | epot = -11.986301636848 | etot = -8.3746230289779 -837000 ekin = 1.32614569945959 | erot = 2.35776552714714 | epot = -12.058534255923 | etot = -8.3746230293163 -838000 ekin = 1.3403008431344 | erot = 2.42442328376899 | epot = -12.1393471566817 | etot = -8.37462302977832 -839000 ekin = 1.36395770572684 | erot = 2.48350186340464 | epot = -12.222082599402 | etot = -8.37462303027048 -840000 ekin = 1.39499323416537 | erot = 2.52993036126219 | epot = -12.299546626116 | etot = -8.37462303068842 -841000 ekin = 1.43098519524504 | erot = 2.5599379691709 | epot = -12.3655461953596 | etot = -8.37462303094361 -842000 ekin = 1.46971603973845 | erot = 2.57185321601318 | epot = -12.4161922867453 | etot = -8.37462303099366 -843000 ekin = 1.50953312203373 | erot = 2.56639824287125 | epot = -12.4505543957627 | etot = -8.37462303085771 -844000 ekin = 1.54948222757244 | erot = 2.54631968023969 | epot = -12.4704249384232 | etot = -8.37462303061104 -845000 ekin = 1.58921446589296 | erot = 2.5154473187876 | epot = -12.4792848150357 | etot = -8.37462303035509 -846000 ekin = 1.62874660073221 | erot = 2.4775136944313 | epot = -12.4808833253415 | etot = -8.37462303017796 -847000 ekin = 1.66818957254827 | erot = 2.43516936578467 | epot = -12.477981968457 | etot = -8.37462303012405 -848000 ekin = 1.70754173431446 | erot = 2.38953851005258 | epot = -12.4717032745492 | etot = -8.37462303018218 -849000 ekin = 1.74659403306508 | erot = 2.34043091651812 | epot = -12.4616479798811 | etot = -8.37462303029795 -850000 ekin = 1.78494345866321 | erot = 2.28706007038529 | epot = -12.4466265594494 | etot = -8.37462303040093 -851000 ekin = 1.82207688727604 | erot = 2.2289142006414 | epot = -12.4256141183555 | etot = -8.3746230304381 -852000 ekin = 1.85747606626899 | erot = 2.16637383867245 | epot = -12.3984729353385 | etot = -8.37462303039711 -853000 ekin = 1.89070501215755 | erot = 2.10080168939738 | epot = -12.3661297318617 | etot = -8.37462303030681 -854000 ekin = 1.92146598579694 | erot = 2.03409194239609 | epot = -12.3301809584131 | etot = -8.3746230302201 -855000 ekin = 1.94963553788679 | erot = 1.96792069996032 | epot = -12.2921792680323 | etot = -8.37462303018517 -856000 ekin = 1.97530408452449 | erot = 1.90306034570378 | epot = -12.2529874604504 | etot = -8.37462303022214 -857000 ekin = 1.99898235174131 | erot = 1.83954776717695 | epot = -12.2131531489779 | etot = -8.37462303005959 -858000 ekin = 2.02148966893509 | erot = 1.77712472343153 | epot = -12.1732374225842 | etot = -8.37462303021759 -859000 ekin = 2.04332984814334 | erot = 1.71372610060062 | epot = -12.1316789790773 | etot = -8.37462303033332 -860000 ekin = 2.06530510863073 | erot = 1.64761266618404 | epot = -12.0875408051618 | etot = -8.374623030347 -861000 ekin = 2.08844047522602 | erot = 1.57839130430927 | epot = -12.0414548097696 | etot = -8.37462303023435 -862000 ekin = 2.11372996876901 | erot = 1.50759861505592 | epot = -11.9959516138468 | etot = -8.37462303002184 -863000 ekin = 2.14175193679491 | erot = 1.43866072802333 | epot = -11.9550356946058 | etot = -8.3746230297876 -864000 ekin = 2.17225364143819 | erot = 1.37614575517505 | epot = -11.9230224262469 | etot = -8.37462302963362 -865000 ekin = 2.20389689304742 | erot = 1.32450432847587 | epot = -11.9030242511591 | etot = -8.37462302963585 -866000 ekin = 2.23438769161032 | erot = 1.28681328070663 | epot = -11.8958240017877 | etot = -8.3746230294708 -867000 ekin = 2.26151301831441 | erot = 1.26501341500429 | epot = -11.9011494630749 | etot = -8.37462302975622 -868000 ekin = 2.28295312633932 | erot = 1.25876385670057 | epot = -11.916340013014 | etot = -8.37462302997407 -869000 ekin = 2.29713139087991 | erot = 1.26636363803581 | epot = -11.93811805896 | etot = -8.37462303004431 -870000 ekin = 2.30388454566185 | erot = 1.28638972777185 | epot = -11.9648973034193 | etot = -8.3746230299856 -871000 ekin = 2.30409365412262 | erot = 1.3178762126361 | epot = -11.9965928971142 | etot = -8.37462303035544 -872000 ekin = 2.29712455306445 | erot = 1.35930276714503 | epot = -12.0310503505629 | etot = -8.37462303035347 -873000 ekin = 2.2827453931626 | erot = 1.40846954678818 | epot = -12.065837970059 | etot = -8.37462303010826 -874000 ekin = 2.26320703627572 | erot = 1.46277950106312 | epot = -12.1006095675599 | etot = -8.37462303022103 -875000 ekin = 2.24001634728594 | erot = 1.51889022328616 | epot = -12.1335296008613 | etot = -8.37462303028924 -876000 ekin = 2.21430830467177 | erot = 1.57348199615488 | epot = -12.1624133311039 | etot = -8.37462303027722 -877000 ekin = 2.18777848573904 | erot = 1.6238902016126 | epot = -12.1862917175001 | etot = -8.37462303014841 -878000 ekin = 2.16252897548043 | erot = 1.66838793090838 | epot = -12.2055399364441 | etot = -8.3746230300553 -879000 ekin = 2.14044753722094 | erot = 1.70571411560618 | epot = -12.2207846828201 | etot = -8.37462302999299 -880000 ekin = 2.12277471002905 | erot = 1.73469967121715 | epot = -12.2320974112717 | etot = -8.37462303002546 -881000 ekin = 2.1097746736021 | erot = 1.75399371448778 | epot = -12.2383914182746 | etot = -8.37462303018477 -882000 ekin = 2.1005016432247 | erot = 1.76187019273806 | epot = -12.2369948664083 | etot = -8.37462303044556 -883000 ekin = 2.09290867712761 | erot = 1.75649694685333 | epot = -12.2240286546966 | etot = -8.37462303071566 -884000 ekin = 2.08433703645321 | erot = 1.73671500456619 | epot = -12.1956750719276 | etot = -8.37462303090818 -885000 ekin = 2.07202901572868 | erot = 1.70282592067691 | epot = -12.149477967362 | etot = -8.37462303095645 -886000 ekin = 2.05378411491616 | erot = 1.65660476472205 | epot = -12.085011910272 | etot = -8.37462303063378 -887000 ekin = 2.02874297420998 | erot = 1.60297409541633 | epot = -12.0063400996958 | etot = -8.37462303006953 -888000 ekin = 1.99720256583061 | erot = 1.54912086824732 | epot = -11.9209464635357 | etot = -8.37462302945781 -889000 ekin = 1.95913963735699 | erot = 1.50198702369296 | epot = -11.8357496899727 | etot = -8.37462302892274 -890000 ekin = 1.91617614841913 | erot = 1.46746689325901 | epot = -11.7582660702128 | etot = -8.37462302853469 -891000 ekin = 1.87023137415973 | erot = 1.44931992810327 | epot = -11.6941743305868 | etot = -8.3746230283238 -892000 ekin = 1.8231621873456 | erot = 1.44889048228621 | epot = -11.6466756979021 | etot = -8.37462302827025 -893000 ekin = 1.77672781685429 | erot = 1.46538080245983 | epot = -11.6167316476416 | etot = -8.37462302832747 -894000 ekin = 1.73267401007855 | erot = 1.49642015526062 | epot = -11.6037171937751 | etot = -8.37462302843589 -895000 ekin = 1.69287615444341 | erot = 1.53876375542455 | epot = -11.6062629384049 | etot = -8.3746230285369 -896000 ekin = 1.65946528810789 | erot = 1.58897281258336 | epot = -11.6230611292845 | etot = -8.37462302859323 -897000 ekin = 1.63484229163068 | erot = 1.64389812681416 | epot = -11.6533634470399 | etot = -8.37462302859503 -898000 ekin = 1.62150447332005 | erot = 1.70104293751331 | epot = -11.697170439403 | etot = -8.37462302856965 -899000 ekin = 1.62168394146258 | erot = 1.75850368945834 | epot = -11.7548106594898 | etot = -8.37462302856883 -900000 ekin = 1.63689346404302 | erot = 1.81470313447753 | epot = -11.8262196271621 | etot = -8.37462302864159 -901000 ekin = 1.66753387742819 | erot = 1.86808611524062 | epot = -11.9102430214838 | etot = -8.37462302881503 -902000 ekin = 1.71269692238274 | erot = 1.91693084841939 | epot = -12.0042507998873 | etot = -8.37462302908514 -903000 ekin = 1.77021838508481 | erot = 1.95934050990426 | epot = -12.1041819244145 | etot = -8.37462302942543 -904000 ekin = 1.83694819296821 | erot = 1.99341312084221 | epot = -12.2049843435908 | etot = -8.37462302978037 -905000 ekin = 1.90914641654266 | erot = 2.01754527647795 | epot = -12.30131472313 | etot = -8.37462303010942 -906000 ekin = 1.98289589688646 | erot = 2.03065122058688 | epot = -12.3881701478555 | etot = -8.37462303038212 -907000 ekin = 2.054438779243 | erot = 2.03228127523553 | epot = -12.4613430850655 | etot = -8.37462303058698 -908000 ekin = 2.12038320006242 | erot = 2.02259637575073 | epot = -12.5176026065432 | etot = -8.37462303073002 -909000 ekin = 2.17777472065707 | erot = 2.0022386877701 | epot = -12.5546364392526 | etot = -8.37462303082542 -910000 ekin = 2.22407231387976 | erot = 1.97218459089875 | epot = -12.5708799356625 | etot = -8.37462303088398 -911000 ekin = 2.25709881230759 | erot = 1.93367043925372 | epot = -12.5653922824647 | etot = -8.37462303090339 -912000 ekin = 2.27504055965831 | erot = 1.88824345124241 | epot = -12.5379070417669 | etot = -8.37462303086623 -913000 ekin = 2.27654326616713 | erot = 1.83792322947699 | epot = -12.4890895263909 | etot = -8.37462303074678 -914000 ekin = 2.26395838707267 | erot = 1.78540897804261 | epot = -12.4239903947872 | etot = -8.37462302967189 -915000 ekin = 2.24045468912196 | erot = 1.73372810068503 | epot = -12.3488058193217 | etot = -8.37462302951466 -916000 ekin = 2.20520370202174 | erot = 1.686151051967 | epot = -12.2659777832985 | etot = -8.37462302930976 -917000 ekin = 2.15800582906352 | erot = 1.64606783755989 | epot = -12.1786966957246 | etot = -8.3746230291012 -918000 ekin = 2.09921834411498 | erot = 1.61647797759857 | epot = -12.0903193506413 | etot = -8.37462302892771 -919000 ekin = 2.02966476142743 | erot = 1.599549497798 | epot = -12.0038372880272 | etot = -8.3746230288018 -920000 ekin = 1.95065755949502 | erot = 1.59642144855376 | epot = -11.9217020368434 | etot = -8.37462302879458 -921000 ekin = 1.8636620065108 | erot = 1.60750866079726 | epot = -11.8457936959376 | etot = -8.37462302862953 -922000 ekin = 1.77152243885364 | erot = 1.63263587421313 | epot = -11.7787813414912 | etot = -8.37462302842448 -923000 ekin = 1.67869484033055 | erot = 1.67111175334441 | epot = -11.7244296218603 | etot = -8.3746230281853 -924000 ekin = 1.59024537021244 | erot = 1.72202288864506 | epot = -11.6868912868186 | etot = -8.3746230279611 -925000 ekin = 1.51123937036936 | erot = 1.78411652410876 | epot = -11.6699789223007 | etot = -8.37462302782256 -926000 ekin = 1.44599317764589 | erot = 1.85554834407226 | epot = -11.6761645495391 | etot = -8.37462302782096 -927000 ekin = 1.39752558601065 | erot = 1.9337066123555 | epot = -11.7058552263247 | etot = -8.3746230279586 -928000 ekin = 1.36763823809538 | erot = 2.01538770680855 | epot = -11.757648972791 | etot = -8.37462302788704 -929000 ekin = 1.36100399983992 | erot = 2.09737818238218 | epot = -11.8330052106852 | etot = -8.37462302846307 -930000 ekin = 1.35523134970511 | erot = 2.17722433883731 | epot = -11.9070787109271 | etot = -8.37462302238468 -931000 ekin = 1.39431469299436 | erot = 2.25435620438246 | epot = -12.0232939189468 | etot = -8.37462302156997 -932000 ekin = 1.49280866705058 | erot = 2.31847930193787 | epot = -12.1859109889588 | etot = -8.37462301997038 -933000 ekin = 1.58533340946768 | erot = 2.36490000058057 | epot = -12.32485643027 | etot = -8.37462302022171 -934000 ekin = 1.68690712098869 | erot = 2.39298221168838 | epot = -12.4545123553117 | etot = -8.37462302263461 -935000 ekin = 1.78473836463911 | erot = 2.39676204060952 | epot = -12.5561234284532 | etot = -8.37462302320454 -936000 ekin = 1.8698772538689 | erot = 2.37258693733547 | epot = -12.6170872147102 | etot = -8.37462302350582 -937000 ekin = 1.93720452638615 | erot = 2.32043568374803 | epot = -12.6322632336394 | etot = -8.37462302350518 -938000 ekin = 1.98385208910065 | erot = 2.24266190734071 | epot = -12.6011370196626 | etot = -8.37462302322125 -939000 ekin = 2.00910923706108 | erot = 2.14379034932921 | epot = -12.5275226091194 | etot = -8.37462302272916 -940000 ekin = 2.01395507290262 | erot = 2.02993348654092 | epot = -12.4185115815347 | etot = -8.37462302209116 -941000 ekin = 2.00103743452152 | erot = 1.90808629517784 | epot = -12.2837467510742 | etot = -8.37462302137486 -942000 ekin = 1.97419824310677 | erot = 1.78546116622571 | epot = -12.1342824299717 | etot = -8.37462302063921 -943000 ekin = 1.93808318009367 | erot = 1.66892069893714 | epot = -11.9816268989612 | etot = -8.37462301993037 -944000 ekin = 1.89777663358483 | erot = 1.56456198515311 | epot = -11.836961638024 | etot = -8.37462301928607 -945000 ekin = 1.85843605735837 | erot = 1.4774221417752 | epot = -11.7104812178744 | etot = -8.37462301874083 -946000 ekin = 1.82491092896719 | erot = 1.41124588131947 | epot = -11.610779828619 | etot = -8.3746230183323 -947000 ekin = 1.8013422188344 | erot = 1.36826076777147 | epot = -11.5442260047056 | etot = -8.37462301809976 -948000 ekin = 1.79076227753392 | erot = 1.34894522657274 | epot = -11.5143305221863 | etot = -8.37462301807965 -949000 ekin = 1.79475359820132 | erot = 1.35184135984867 | epot = -11.5212179763387 | etot = -8.37462301828871 -950000 ekin = 1.81326202048993 | erot = 1.37352812801048 | epot = -11.5614131672086 | etot = -8.3746230187082 -951000 ekin = 1.84466122228548 | erot = 1.40888082073311 | epot = -11.6281650622951 | etot = -8.37462301927651 -952000 ekin = 1.88610598517686 | erot = 1.45166996305775 | epot = -11.7123989681328 | etot = -8.37462301989817 -953000 ekin = 1.93415626208494 | erot = 1.49545802208046 | epot = -11.8042373044908 | etot = -8.37462302032539 -954000 ekin = 1.98570845874811 | erot = 1.53486140750217 | epot = -11.8951928870177 | etot = -8.37462302076742 -955000 ekin = 2.03763688300238 | erot = 1.56575119867149 | epot = -11.9780111026985 | etot = -8.37462302102462 -956000 ekin = 2.08752516850599 | erot = 1.58576425992308 | epot = -12.0479124495213 | etot = -8.37462302109223 -957000 ekin = 2.13388693710964 | erot = 1.59443657079239 | epot = -12.1029465289046 | etot = -8.37462302100253 -958000 ekin = 2.17603134876323 | erot = 1.59291217741732 | epot = -12.1435665469902 | etot = -8.37462302080964 -959000 ekin = 2.21381255039645 | erot = 1.58343493106879 | epot = -12.1718705020378 | etot = -8.37462302057259 -960000 ekin = 2.24735101958252 | erot = 1.56876603527579 | epot = -12.1907400752033 | etot = -8.37462302034496 -961000 ekin = 2.27678636585394 | erot = 1.55164507323792 | epot = -12.2030544592584 | etot = -8.37462302016653 -962000 ekin = 2.30208813280108 | erot = 1.53436606871911 | epot = -12.2110772215847 | etot = -8.37462302006456 -963000 ekin = 2.32292955590133 | erot = 1.51849868398433 | epot = -12.2160512599371 | etot = -8.37462302005146 -964000 ekin = 2.33862421267245 | erot = 1.50476151876516 | epot = -12.2180087515633 | etot = -8.37462302012571 -965000 ekin = 2.34813222213143 | erot = 1.49304783092148 | epot = -12.2158030733237 | etot = -8.37462302027083 -966000 ekin = 2.35015122853115 | erot = 1.48260237418126 | epot = -12.2073766231662 | etot = -8.37462302045376 -967000 ekin = 2.34330726066097 | erot = 1.47233774696392 | epot = -12.1902680282532 | etot = -8.37462302062827 -968000 ekin = 2.32644504715423 | erot = 1.46125212630425 | epot = -12.1623201941992 | etot = -8.37462302074071 -969000 ekin = 2.29898771919739 | erot = 1.44887277461759 | epot = -12.1224835145563 | etot = -8.37462302074132 -970000 ekin = 2.26130276214329 | erot = 1.43562016619225 | epot = -12.0715459489323 | etot = -8.37462302059672 -971000 ekin = 2.21499063336338 | erot = 1.42298879008765 | epot = -12.0126024437513 | etot = -8.37462302030023 -972000 ekin = 2.16303757451795 | erot = 1.41348472406763 | epot = -11.9511453183675 | etot = -8.37462301978193 -973000 ekin = 2.10950969273511 | erot = 1.41039391551614 | epot = -11.8945266278569 | etot = -8.37462301960568 -974000 ekin = 2.05703199419742 | erot = 1.41732503873297 | epot = -11.8489800520861 | etot = -8.37462301915571 -975000 ekin = 2.01010390574851 | erot = 1.43732066922317 | epot = -11.8220475937238 | etot = -8.37462301875209 -976000 ekin = 1.97340114977604 | erot = 1.47261385396266 | epot = -11.8206380222139 | etot = -8.37462301847519 -977000 ekin = 1.95082006444706 | erot = 1.52416835984337 | epot = -11.8496114426886 | etot = -8.37462301839813 -978000 ekin = 1.94472832271128 | erot = 1.59131019459127 | epot = -11.9106615358755 | etot = -8.37462301857292 -979000 ekin = 1.95538713571685 | erot = 1.67153495870254 | epot = -12.0015451134338 | etot = -8.37462301901437 -980000 ekin = 1.9806772386571 | erot = 1.76051368575205 | epot = -12.1158139441915 | etot = -8.37462301978231 -981000 ekin = 2.0157957192546 | erot = 1.85207319538924 | epot = -12.2424919352912 | etot = -8.37462302064736 -982000 ekin = 2.05441082040089 | erot = 1.93952253755685 | epot = -12.3685563794566 | etot = -8.37462302149882 -983000 ekin = 2.08992138438914 | erot = 2.01671280308128 | epot = -12.4812572096503 | etot = -8.37462302217987 -984000 ekin = 2.11656909821701 | erot = 2.0791069696724 | epot = -12.5702990904621 | etot = -8.37462302257267 -985000 ekin = 2.13033501102878 | erot = 2.12464764346843 | epot = -12.6296056771301 | etot = -8.37462302263285 -986000 ekin = 2.12935596248979 | erot = 2.15403431725422 | epot = -12.6580133021435 | etot = -8.37462302239946 -987000 ekin = 2.11471923988066 | erot = 2.17104098415337 | epot = -12.6603832459165 | etot = -8.37462302188252 -988000 ekin = 2.09119735101514 | erot = 2.18228698931312 | epot = -12.6481073619531 | etot = -8.37462302162481 -989000 ekin = 2.06027968801239 | erot = 2.19075462083379 | epot = -12.6256573302412 | etot = -8.37462302139499 -990000 ekin = 2.02336255788569 | erot = 2.19843813688565 | epot = -12.5964237160084 | etot = -8.3746230212371 -991000 ekin = 1.9818807746635 | erot = 2.20638055720266 | epot = -12.5628843530201 | etot = -8.37462302115396 -992000 ekin = 1.93715749695397 | erot = 2.21473069767593 | epot = -12.5265112157503 | etot = -8.3746230211204 -993000 ekin = 1.89038311211027 | erot = 2.22307759878468 | epot = -12.4880837319987 | etot = -8.37462302110374 -994000 ekin = 1.84266575140808 | erot = 2.23084817708143 | epot = -12.4481369495678 | etot = -8.37462302107828 -995000 ekin = 1.79502825849046 | erot = 2.23761065997445 | epot = -12.4072619394846 | etot = -8.37462302101966 -996000 ekin = 1.74865820355827 | erot = 2.24323231086594 | epot = -12.3665135353626 | etot = -8.37462302093837 -997000 ekin = 1.70508150016762 | erot = 2.24765365390706 | epot = -12.3273581749305 | etot = -8.37462302085581 -998000 ekin = 1.66588125243956 | erot = 2.25078611336562 | epot = -12.2912903865797 | etot = -8.37462302077456 -999000 ekin = 1.63259998370264 | erot = 2.25262768593231 | epot = -12.2598506903066 | etot = -8.37462302067164 -1000000 ekin = 1.60661879878063 | erot = 2.2537352861968 | epot = -12.2349771055354 | etot = -8.37462302055793 - 1000000 0.1190088 -1.3493654 0.12586767 -1.0628358 0.00017426596 64000 -Loop time of 13.9702 on 4 procs for 1000000 steps with 10 atoms - -Performance: 61846.133 tau/day, 71581.172 timesteps/s -99.6% CPU use with 4 MPI tasks x no OpenMP threads - -MPI task timing breakdown: -Section | min time | avg time | max time |%varavg| %total ---------------------------------------------------------------- -Pair | 5.73 | 7.4134 | 9.1286 | 56.7 | 53.07 -Bond | 0.26662 | 0.33045 | 0.41401 | 10.3 | 2.37 -Neigh | 0.006735 | 0.0067415 | 0.006755 | 0.0 | 0.05 -Comm | 1.8191 | 2.0224 | 2.2513 | 11.6 | 14.48 -Output | 0.080433 | 0.083152 | 0.087335 | 0.9 | 0.60 -Modify | 0.52945 | 0.63648 | 0.73642 | 12.3 | 4.56 -Other | | 3.477 | | | 24.89 - -Nlocal: 2.50000 ave 3 max 2 min -Histogram: 2 0 0 0 0 0 0 0 0 2 -Nghost: 7.50000 ave 8 max 7 min -Histogram: 2 0 0 0 0 0 0 0 0 2 -Neighs: 17.5000 ave 20 max 15 min -Histogram: 2 0 0 0 0 0 0 0 0 2 - -Total # of neighbors = 70 -Ave neighs/atom = 7.0000000 -Ave special neighs/atom = 3.6000000 -Neighbor list builds = 1000 -Dangerous builds = 0 - -write_data last_config.${number}.* nocoeff -write_data last_config.1.* nocoeff -System init for write_data ... -Total wall time: 0:00:13 diff --git a/examples/PACKAGES/cgdna/examples/oxDNA2/duplex1/log.2Jul21.duplex1.g++.1 b/examples/PACKAGES/cgdna/examples/oxDNA2/duplex1/log.2Jul21.duplex1.g++.1 new file mode 100644 index 0000000000..c73ab7ca61 --- /dev/null +++ b/examples/PACKAGES/cgdna/examples/oxDNA2/duplex1/log.2Jul21.duplex1.g++.1 @@ -0,0 +1,1181 @@ +LAMMPS (2 Jul 2021) +variable number equal 1 +variable ofreq equal 1000 +variable efreq equal 1000 +variable T equal 0.1 +variable rhos equal 0.2 + +units lj + +dimension 3 + +newton on + +boundary p p p + +atom_style hybrid bond ellipsoid oxdna +WARNING: Atom style hybrid defines both, per-type and per-atom masses; both must be set, but only per-atom masses will be used (../atom_vec_hybrid.cpp:157) +atom_modify sort 0 1.0 + +# Pair interactions require lists of neighbours to be calculated +neighbor 2.0 bin +neigh_modify every 1 delay 0 check yes + +read_data data.duplex1 +Reading data file ... + orthogonal box = (-20.000000 -20.000000 -20.000000) to (20.000000 20.000000 20.000000) + 1 by 1 by 1 MPI processor grid + reading atoms ... + 10 atoms + reading velocities ... + 10 velocities + scanning bonds ... + 1 = max bonds/atom + 10 ellipsoids + reading bonds ... + 8 bonds +Finding 1-2 1-3 1-4 neighbors ... + special bond factors lj: 0 0 0 + special bond factors coul: 0 0 0 + 2 = max # of 1-2 neighbors + 2 = max # of 1-3 neighbors + 2 = max # of 1-4 neighbors + 4 = max # of special neighbors + special bonds CPU = 0.000 seconds + read_data CPU = 0.003 seconds + +set atom * mass 3.1575 +Setting atom values ... + 10 settings made for mass + +group all type 1 4 +10 atoms in group all + +# oxDNA2 bond interactions - FENE backbone +bond_style oxdna2/fene +bond_coeff * 2.0 0.25 0.7564 +special_bonds lj 0 1 1 +Finding 1-2 1-3 1-4 neighbors ... + special bond factors lj: 0 1 1 + special bond factors coul: 0 0 0 + 2 = max # of 1-2 neighbors + 2 = max # of 1-3 neighbors + 2 = max # of 1-4 neighbors + 4 = max # of special neighbors + special bonds CPU = 0.000 seconds + +# oxDNA2 pair interactions +pair_style hybrid/overlay oxdna2/excv oxdna2/stk oxdna2/hbond oxdna2/xstk oxdna2/coaxstk oxdna2/dh +pair_coeff * * oxdna2/excv 2.0 0.7 0.675 2.0 0.515 0.5 2.0 0.33 0.32 +pair_coeff * * oxdna2/stk seqav ${T} 1.3523 2.6717 6.0 0.4 0.9 0.32 0.75 1.3 0 0.8 0.9 0 0.95 0.9 0 0.95 2.0 0.65 2.0 0.65 +pair_coeff * * oxdna2/stk seqav 0.1 1.3523 2.6717 6.0 0.4 0.9 0.32 0.75 1.3 0 0.8 0.9 0 0.95 0.9 0 0.95 2.0 0.65 2.0 0.65 +pair_coeff * * oxdna2/hbond seqav 0.0 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 +pair_coeff 1 4 oxdna2/hbond seqav 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 +pair_coeff 2 3 oxdna2/hbond seqav 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 +pair_coeff * * oxdna2/xstk 47.5 0.575 0.675 0.495 0.655 2.25 0.791592653589793 0.58 1.7 1.0 0.68 1.7 1.0 0.68 1.5 0 0.65 1.7 0.875 0.68 1.7 0.875 0.68 +pair_coeff * * oxdna2/coaxstk 58.5 0.4 0.6 0.22 0.58 2.0 2.891592653589793 0.65 1.3 0 0.8 0.9 0 0.95 0.9 0 0.95 40.0 3.116592653589793 +pair_coeff * * oxdna2/dh ${T} ${rhos} 0.815 +pair_coeff * * oxdna2/dh 0.1 ${rhos} 0.815 +pair_coeff * * oxdna2/dh 0.1 0.2 0.815 + +# NVE ensemble +fix 1 all nve/asphere +#fix 2 all langevin ${T} ${T} 2.5 457145 angmom 10 + +timestep 1e-5 + +#comm_style tiled +fix 3 all balance 1000 1.03 shift xyz 10 1.03 +comm_modify cutoff 3.8 + +compute quat all property/atom quatw quati quatj quatk + +compute erot all erotate/asphere +compute ekin all ke +compute epot all pe +variable erot equal c_erot +variable ekin equal c_ekin +variable epot equal c_epot +variable etot equal c_erot+c_ekin+c_epot +fix 5 all print ${efreq} "$(step) ekin = ${ekin} | erot = ${erot} | epot = ${epot} | etot = ${etot}" screen yes +fix 5 all print 1000 "$(step) ekin = ${ekin} | erot = ${erot} | epot = ${epot} | etot = ${etot}" screen yes + +dump out all custom ${ofreq} out.${number}.lammpstrj id mol type x y z ix iy iz vx vy vz c_quat[1] c_quat[2] c_quat[3] c_quat[4] angmomx angmomy angmomz +dump out all custom 1000 out.${number}.lammpstrj id mol type x y z ix iy iz vx vy vz c_quat[1] c_quat[2] c_quat[3] c_quat[4] angmomx angmomy angmomz +dump out all custom 1000 out.1.lammpstrj id mol type x y z ix iy iz vx vy vz c_quat[1] c_quat[2] c_quat[3] c_quat[4] angmomx angmomy angmomz +dump_modify out sort id +dump_modify out format line "%d %d %d %22.15le %22.15le %22.15le %d %d %d %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le" + +run 1000000 +Neighbor list info ... + update every 1 steps, delay 0 steps, check yes + max neighbors/atom: 2000, page size: 100000 + master list distance cutoff = 5.6389877 + ghost atom cutoff = 5.6389877 + binsize = 2.8194939, bins = 15 15 15 + 5 neighbor lists, perpetual/occasional/extra = 5 0 0 + (1) pair oxdna2/excv, perpetual + attributes: half, newton on + pair build: half/bin/newton + stencil: half/bin/3d + bin: standard + (2) pair oxdna2/hbond, perpetual, copy from (1) + attributes: half, newton on + pair build: copy + stencil: none + bin: none + (3) pair oxdna2/xstk, perpetual, copy from (1) + attributes: half, newton on + pair build: copy + stencil: none + bin: none + (4) pair oxdna2/coaxstk, perpetual, copy from (1) + attributes: half, newton on + pair build: copy + stencil: none + bin: none + (5) pair oxdna2/dh, perpetual, copy from (1) + attributes: half, newton on + pair build: copy + stencil: none + bin: none +WARNING: Communication cutoff adjusted to 5.638987723814632 (../comm.cpp:739) +0 ekin = 1.10853632272819 | erot = 2.81573649976629 | epot = -12.298895791142 | etot = -8.37462296864751 +Per MPI rank memory allocation (min/avg/max) = 9.198 | 9.198 | 9.198 Mbytes +Step Temp E_pair E_mol TotEng Press Volume + 0 0.082113802 -1.3370157 0.10712616 -1.1190359 -6.6192825e-05 64000 +1000 ekin = 1.07640077431763 | erot = 2.90684392233817 | epot = -12.357867665527 | etot = -8.37462296887116 +2000 ekin = 1.05363107794411 | erot = 2.99414178935849 | epot = -12.4223958364622 | etot = -8.37462296915965 +3000 ekin = 1.04083382823095 | erot = 3.07274362339771 | epot = -12.4882004210899 | etot = -8.37462296946123 +4000 ekin = 1.03780093165924 | erot = 3.13815143503914 | epot = -12.550575336422 | etot = -8.37462296972364 +5000 ekin = 1.04371581655899 | erot = 3.18681185449856 | epot = -12.6051506409707 | etot = -8.37462296991315 +6000 ekin = 1.05738085799295 | erot = 3.21642353087479 | epot = -12.6484273588876 | etot = -8.37462297001983 +7000 ekin = 1.07739394884042 | erot = 3.22597832036696 | epot = -12.677995239256 | etot = -8.37462297004867 +8000 ekin = 1.10226637472087 | erot = 3.21563966301732 | epot = -12.6925290077505 | etot = -8.37462297001231 +9000 ekin = 1.13051291055326 | erot = 3.18656247631366 | epot = -12.6916983567816 | etot = -8.37462296991465 +10000 ekin = 1.16073704358063 | erot = 3.14076972913372 | epot = -12.6761297424775 | etot = -8.37462296976311 +11000 ekin = 1.19170449380505 | erot = 3.08098965164652 | epot = -12.6473171150236 | etot = -8.37462296957204 +12000 ekin = 1.22238189802729 | erot = 3.01040253468266 | epot = -12.6074074020775 | etot = -8.37462296936753 +13000 ekin = 1.25192691881487 | erot = 2.93230261872824 | epot = -12.5588525067181 | etot = -8.37462296917498 +14000 ekin = 1.27963857618757 | erot = 2.84975156813381 | epot = -12.5040131133432 | etot = -8.37462296902179 +15000 ekin = 1.30489368750123 | erot = 2.76534813925014 | epot = -12.444864795638 | etot = -8.37462296888666 +16000 ekin = 1.32709913751461 | erot = 2.6811818478553 | epot = -12.3829039541517 | etot = -8.37462296878182 +17000 ekin = 1.34568132349844 | erot = 2.5986128569079 | epot = -12.3189171492215 | etot = -8.37462296881515 +18000 ekin = 1.36011712604124 | erot = 2.51802979978579 | epot = -12.2527698947086 | etot = -8.37462296888154 +19000 ekin = 1.3700055901564 | erot = 2.43889875259719 | epot = -12.1835273117078 | etot = -8.37462296895424 +20000 ekin = 1.37516683465212 | erot = 2.36049590954913 | epot = -12.1102857132061 | etot = -8.37462296900481 +21000 ekin = 1.37575335509454 | erot = 2.28221618930094 | epot = -12.0325925134033 | etot = -8.37462296900785 +22000 ekin = 1.37235802310946 | erot = 2.20383846967473 | epot = -11.9508194617285 | etot = -8.37462296894431 +23000 ekin = 1.36610326249347 | erot = 2.12570839352804 | epot = -11.8664346248253 | etot = -8.37462296880382 +24000 ekin = 1.35869525710689 | erot = 2.04881568638621 | epot = -11.7821339120795 | etot = -8.3746229685864 +25000 ekin = 1.35242255125593 | erot = 1.97475968439782 | epot = -11.7018052039589 | etot = -8.37462296830517 +26000 ekin = 1.3500701244009 | erot = 1.90560954362746 | epot = -11.6303026360115 | etot = -8.37462296798316 +27000 ekin = 1.35474332970461 | erot = 1.843676291157 | epot = -11.573042588521 | etot = -8.37462296765941 +28000 ekin = 1.36954369410747 | erot = 1.79121252282618 | epot = -11.5353791843194 | etot = -8.37462296738577 +29000 ekin = 1.39711560919894 | erot = 1.75006009044062 | epot = -11.5217986668613 | etot = -8.37462296722172 +30000 ekin = 1.43911092490998 | erot = 1.72127833748021 | epot = -11.5350122296156 | etot = -8.37462296722543 +31000 ekin = 1.49567630461185 | erot = 1.70480588615783 | epot = -11.5751051582055 | etot = -8.37462296743583 +32000 ekin = 1.56511285114173 | erot = 1.69923538983358 | epot = -11.6389712088327 | etot = -8.37462296785736 +33000 ekin = 1.64385110263233 | erot = 1.70198396265071 | epot = -11.7204580336836 | etot = -8.37462296840058 +34000 ekin = 1.72681002365018 | erot = 1.70946314344897 | epot = -11.8108961361853 | etot = -8.37462296908616 +35000 ekin = 1.80812188596362 | erot = 1.71712980816865 | epot = -11.8998746638723 | etot = -8.37462296974007 +36000 ekin = 1.88201893971536 | erot = 1.72067857993906 | epot = -11.9773204899106 | etot = -8.37462297025618 +37000 ekin = 1.94364733336808 | erot = 1.71680208569968 | epot = -12.0350723896309 | etot = -8.37462297056312 +38000 ekin = 1.98961498615624 | erot = 1.70370907929488 | epot = -12.0679470360927 | etot = -8.37462297064162 +39000 ekin = 2.01818359901078 | erot = 1.68126711282219 | epot = -12.0740736823535 | etot = -8.37462297052054 +40000 ekin = 2.02914332282544 | erot = 1.65077260628057 | epot = -12.0545388993641 | etot = -8.37462297025811 +41000 ekin = 2.02349103018079 | erot = 1.61448262351112 | epot = -12.012596623611 | etot = -8.37462296991906 +42000 ekin = 2.00304412554487 | erot = 1.57509121259578 | epot = -11.9527583076989 | etot = -8.37462296955828 +43000 ekin = 1.97008148028931 | erot = 1.5352951062099 | epot = -11.8799995557137 | etot = -8.3746229692145 +44000 ekin = 1.92705109571046 | erot = 1.49750726070831 | epot = -11.7991813253589 | etot = -8.37462296894018 +45000 ekin = 1.87634986385838 | erot = 1.46354390598906 | epot = -11.714516738533 | etot = -8.37462296868559 +46000 ekin = 1.82016797429729 | erot = 1.43491031451222 | epot = -11.6297012572909 | etot = -8.37462296848135 +47000 ekin = 1.76039182008996 | erot = 1.41286016407003 | epot = -11.5478749524839 | etot = -8.37462296832397 +48000 ekin = 1.69856949274756 | erot = 1.39838217522426 | epot = -11.4715746361766 | etot = -8.37462296820474 +49000 ekin = 1.6359395498873 | erot = 1.39228918140579 | epot = -11.4028516994048 | etot = -8.37462296811169 +50000 ekin = 1.57351801537284 | erot = 1.39530041169495 | epot = -11.3434413950981 | etot = -8.37462296803028 +51000 ekin = 1.51222872476347 | erot = 1.40810650340941 | epot = -11.2949581961199 | etot = -8.37462296794708 +52000 ekin = 1.45305245526488 | erot = 1.43140550730924 | epot = -11.2590809304256 | etot = -8.37462296785146 +53000 ekin = 1.39716366086918 | erot = 1.46589567493529 | epot = -11.2376823035411 | etot = -8.37462296773663 +54000 ekin = 1.34602153837047 | erot = 1.51222067984183 | epot = -11.2328651858297 | etot = -8.37462296761736 +55000 ekin = 1.30138436197332 | erot = 1.57077970891814 | epot = -11.2467870384005 | etot = -8.37462296750909 +56000 ekin = 1.26522647192232 | erot = 1.64151101613075 | epot = -11.2813604554938 | etot = -8.37462296744077 +57000 ekin = 1.23956119808437 | erot = 1.72363092633031 | epot = -11.337815091859 | etot = -8.37462296744431 +58000 ekin = 1.22620283906725 | erot = 1.81539828229235 | epot = -11.4162240889032 | etot = -8.3746229675436 +59000 ekin = 1.22652758768648 | erot = 1.91400381193546 | epot = -11.5151543673675 | etot = -8.37462296774558 +60000 ekin = 1.24129579501613 | erot = 2.01564970996742 | epot = -11.6315684730212 | etot = -8.37462296803768 +61000 ekin = 1.27057003505312 | erot = 2.11581304358673 | epot = -11.7610060470473 | etot = -8.37462296840743 +62000 ekin = 1.31372115356085 | erot = 2.20955642503253 | epot = -11.8979005473869 | etot = -8.37462296879357 +63000 ekin = 1.36947667734256 | erot = 2.29224896410242 | epot = -12.0363486106153 | etot = -8.37462296917035 +64000 ekin = 1.43596184816363 | erot = 2.35998108781816 | epot = -12.1705659055152 | etot = -8.37462296953339 +65000 ekin = 1.5108757081497 | erot = 2.40947275989103 | epot = -12.294971437873 | etot = -8.37462296983226 +66000 ekin = 1.59162978656338 | erot = 2.43872351537743 | epot = -12.404976271986 | etot = -8.37462297004522 +67000 ekin = 1.67546349074575 | erot = 2.4472618699926 | epot = -12.4973483309005 | etot = -8.37462297016214 +68000 ekin = 1.75953613825208 | erot = 2.43621057967599 | epot = -12.5703696881156 | etot = -8.37462297018751 +69000 ekin = 1.84098201456571 | erot = 2.40815676459644 | epot = -12.6237617493037 | etot = -8.37462297014158 +70000 ekin = 1.91692810522256 | erot = 2.36682660300834 | epot = -12.6583776782867 | etot = -8.37462297005584 +71000 ekin = 1.98449380473026 | erot = 2.31661131420489 | epot = -12.6757280888525 | etot = -8.37462296991739 +72000 ekin = 2.04081287193495 | erot = 2.26215174487671 | epot = -12.6775875867425 | etot = -8.37462296993079 +73000 ekin = 2.08263291328341 | erot = 2.2074336386418 | epot = -12.6646895218716 | etot = -8.37462296994644 +74000 ekin = 2.10698584150829 | erot = 2.15544421118361 | epot = -12.6370530226944 | etot = -8.37462297000245 +75000 ekin = 2.11136525908711 | erot = 2.10816940675056 | epot = -12.5941576359035 | etot = -8.37462297006578 +76000 ekin = 2.09405873141393 | erot = 2.06669472630755 | epot = -12.535376427811 | etot = -8.37462297008955 +77000 ekin = 2.05455135347901 | erot = 2.03147933575638 | epot = -12.4606536592623 | etot = -8.37462297002688 +78000 ekin = 1.99386684227692 | erot = 2.00268171013299 | epot = -12.3711715222582 | etot = -8.37462296984828 +79000 ekin = 1.91474155283387 | erot = 1.98040758803641 | epot = -12.2697721104227 | etot = -8.37462296955247 +80000 ekin = 1.82155513477569 | erot = 1.96479734780216 | epot = -12.1609754517455 | etot = -8.37462296916766 +81000 ekin = 1.71999782481688 | erot = 1.95595086125338 | epot = -12.0505716548134 | etot = -8.37462296874317 +82000 ekin = 1.61651478139496 | erot = 1.95375810375259 | epot = -11.9448958534856 | etot = -8.37462296833801 +83000 ekin = 1.51761134750078 | erot = 1.9577277486063 | epot = -11.8499620641159 | etot = -8.37462296800882 +84000 ekin = 1.42912416355165 | erot = 1.96688313409194 | epot = -11.7706302654422 | etot = -8.37462296779863 +85000 ekin = 1.35556895555397 | erot = 1.97976517498676 | epot = -11.7099570982742 | etot = -8.37462296773344 +86000 ekin = 1.29966988136848 | erot = 1.99452593271691 | epot = -11.6688187819009 | etot = -8.37462296781547 +87000 ekin = 1.26213747948968 | erot = 2.00910214170779 | epot = -11.6458625892978 | etot = -8.3746229681003 +88000 ekin = 1.24134500163873 | erot = 2.02122064243461 | epot = -11.6371886124846 | etot = -8.37462296841123 +89000 ekin = 1.23421644947624 | erot = 2.02900530500587 | epot = -11.6378447232196 | etot = -8.37462296873754 +90000 ekin = 1.2369060424358 | erot = 2.03136372571833 | epot = -11.6428927371716 | etot = -8.37462296901748 +91000 ekin = 1.24531053049757 | erot = 2.02816188261836 | epot = -11.6480953823213 | etot = -8.37462296920538 +92000 ekin = 1.2556439422707 | erot = 2.02032873397327 | epot = -11.6505956455254 | etot = -8.37462296928141 +93000 ekin = 1.26484018817427 | erot = 2.00975004471085 | epot = -11.6492132021398 | etot = -8.37462296925464 +94000 ekin = 1.27076152680841 | erot = 1.99896253062549 | epot = -11.6443470265804 | etot = -8.3746229691465 +95000 ekin = 1.27224696211181 | erot = 1.99076889271338 | epot = -11.6376388238184 | etot = -8.37462296899321 +96000 ekin = 1.26905385172917 | erot = 1.98776908505807 | epot = -11.6314459056163 | etot = -8.37462296882905 +97000 ekin = 1.26173398384347 | erot = 1.99196117307496 | epot = -11.628318125602 | etot = -8.37462296868355 +98000 ekin = 1.25146122958142 | erot = 2.00445279489013 | epot = -11.6305369930529 | etot = -8.37462296858135 +99000 ekin = 1.23981039935408 | erot = 2.02529911459885 | epot = -11.6397324824951 | etot = -8.37462296854214 +100000 ekin = 1.22848889431686 | erot = 2.05346079777955 | epot = -11.6565726606777 | etot = -8.37462296858124 +101000 ekin = 1.21904296342426 | erot = 2.08686922543178 | epot = -11.6805351575624 | etot = -8.37462296870635 +102000 ekin = 1.21258708443142 | erot = 2.12259257652707 | epot = -11.7098026298712 | etot = -8.37462296891269 +103000 ekin = 1.20962138127609 | erot = 2.15710417867589 | epot = -11.7413485291306 | etot = -8.37462296917863 +104000 ekin = 1.20999435064749 | erot = 2.18665201736524 | epot = -11.7712693374785 | etot = -8.37462296946577 +105000 ekin = 1.21303379771948 | erot = 2.20771017012375 | epot = -11.7953669375665 | etot = -8.37462296972326 +106000 ekin = 1.21781939160539 | erot = 2.21746426398198 | epot = -11.8099066254851 | etot = -8.37462296989777 +107000 ekin = 1.22352668485511 | erot = 2.21425769941191 | epot = -11.8124073542125 | etot = -8.37462296994543 +108000 ekin = 1.22975371616707 | erot = 2.19791821277296 | epot = -11.8022948987809 | etot = -8.37462296984092 +109000 ekin = 1.23675326669538 | erot = 2.16990174522961 | epot = -11.781277981508 | etot = -8.37462296958301 +110000 ekin = 1.24552660594304 | erot = 2.13322593016559 | epot = -11.7533755053021 | etot = -8.37462296919346 +111000 ekin = 1.2577699492819 | erot = 2.09220325002851 | epot = -11.7245961680235 | etot = -8.37462296871309 +112000 ekin = 1.27568807280479 | erot = 2.05200951342181 | epot = -11.7023205544238 | etot = -8.37462296819724 +113000 ekin = 1.30169744977575 | erot = 2.01813224570252 | epot = -11.6944526631898 | etot = -8.37462296771154 +114000 ekin = 1.33804251858973 | erot = 1.99574344242881 | epot = -11.7084089283454 | etot = -8.3746229673269 +115000 ekin = 1.3864743192957 | erot = 1.98903581447781 | epot = -11.750133100834 | etot = -8.37462296706049 +116000 ekin = 1.44876446583433 | erot = 2.00047074173032 | epot = -11.8238581746956 | etot = -8.37462296713092 +117000 ekin = 1.52378581535601 | erot = 2.03044339408209 | epot = -11.9288521768895 | etot = -8.37462296745144 +118000 ekin = 1.60840594184234 | erot = 2.07707436259026 | epot = -12.0601032724464 | etot = -8.3746229680138 +119000 ekin = 1.69804077960537 | erot = 2.13624566567642 | epot = -12.208909414054 | etot = -8.3746229687722 +120000 ekin = 1.78696647862329 | erot = 2.20199105617507 | epot = -12.3635805044452 | etot = -8.37462296964685 +121000 ekin = 1.86883508536353 | erot = 2.26718837407865 | epot = -12.5106464299777 | etot = -8.37462297053554 +122000 ekin = 1.93731263285391 | erot = 2.32446087034982 | epot = -12.6363964745349 | etot = -8.37462297133115 +123000 ekin = 1.98673587945814 | erot = 2.3671448998553 | epot = -12.7285037512518 | etot = -8.37462297193835 +124000 ekin = 2.01268857483506 | erot = 2.39015976226587 | epot = -12.77747130939 | etot = -8.37462297228912 +125000 ekin = 2.01242153120634 | erot = 2.3906292535681 | epot = -12.7776737571268 | etot = -8.37462297235236 +126000 ekin = 1.98507290328086 | erot = 2.36815351492882 | epot = -12.7278493903459 | etot = -8.37462297213621 +127000 ekin = 1.93167931643415 | erot = 2.32470375634614 | epot = -12.6310060444627 | etot = -8.37462297168245 +128000 ekin = 1.85500076916878 | erot = 2.26419178968044 | epot = -12.4938155299045 | etot = -8.37462297105528 +129000 ekin = 1.75920795598134 | erot = 2.19182812292603 | epot = -12.3256590492355 | etot = -8.37462297032817 +130000 ekin = 1.6494941584018 | erot = 2.11340935726337 | epot = -12.1375264852354 | etot = -8.37462296957026 +131000 ekin = 1.5316714306691 | erot = 2.03466319553995 | epot = -11.940957595048 | etot = -8.37462296883898 +132000 ekin = 1.41179399813973 | erot = 1.96073697301916 | epot = -11.747153939335 | etot = -8.37462296817611 +133000 ekin = 1.29582771791038 | erot = 1.89586175533292 | epot = -11.5663124408531 | etot = -8.37462296760982 +134000 ekin = 1.18933366770483 | erot = 1.84313053331003 | epot = -11.407087168276 | etot = -8.37462296726118 +135000 ekin = 1.09698845763049 | erot = 1.80418246558928 | epot = -11.27579389016 | etot = -8.37462296694027 +136000 ekin = 1.0227090445408 | erot = 1.77989195852182 | epot = -11.1772239698136 | etot = -8.37462296675101 +137000 ekin = 0.969402888595114 | erot = 1.77022137974227 | epot = -11.1142472350348 | etot = -8.3746229666974 +138000 ekin = 0.938766242876417 | erot = 1.77423425797178 | epot = -11.0876234676251 | etot = -8.37462296677689 +139000 ekin = 0.931209536918657 | erot = 1.79022284403554 | epot = -11.0960553479296 | etot = -8.37462296697544 +140000 ekin = 0.945902360873822 | erot = 1.81588277986714 | epot = -11.1364081080071 | etot = -8.37462296726611 +141000 ekin = 0.980951010695237 | erot = 1.84854552854019 | epot = -11.2041195068463 | etot = -8.37462296761087 +142000 ekin = 1.03368854660442 | erot = 1.88546172258912 | epot = -11.2937732371596 | etot = -8.37462296796605 +143000 ekin = 1.10102464558818 | erot = 1.92410215903288 | epot = -11.3997497729128 | etot = -8.37462296829172 +144000 ekin = 1.17978371180494 | erot = 1.96241851789353 | epot = -11.5168251982593 | etot = -8.37462296856084 +145000 ekin = 1.26696389973302 | erot = 1.99907135517284 | epot = -11.6406582236461 | etot = -8.37462296874025 +146000 ekin = 1.35987698631762 | erot = 2.03338468070444 | epot = -11.767884635915 | etot = -8.37462296889291 +147000 ekin = 1.45616095203023 | erot = 2.06502561999191 | epot = -11.8958095410392 | etot = -8.37462296901703 +148000 ekin = 1.5536968549114 | erot = 2.09388144715375 | epot = -12.0222012712078 | etot = -8.37462296914268 +149000 ekin = 1.65047924324489 | erot = 2.1197667162033 | epot = -12.1448689287442 | etot = -8.37462296929601 +150000 ekin = 1.74448791629898 | erot = 2.14217867903565 | epot = -12.2612895648267 | etot = -8.37462296949208 +151000 ekin = 1.83359650490197 | erot = 2.16016451670454 | epot = -12.3683839913411 | etot = -8.3746229697346 +152000 ekin = 1.91553611044715 | erot = 2.17231614291486 | epot = -12.4624752233745 | etot = -8.37462297001245 +153000 ekin = 1.98791755611589 | erot = 2.17689716712731 | epot = -12.5394376935492 | etot = -8.37462297030604 +154000 ekin = 2.0483072299909 | erot = 2.17205709329807 | epot = -12.5949872938792 | etot = -8.37462297059021 +155000 ekin = 2.09434778140709 | erot = 2.15608363214675 | epot = -12.6250543843915 | etot = -8.37462297083769 +156000 ekin = 2.12391577783728 | erot = 2.12765251039858 | epot = -12.6261912592573 | etot = -8.37462297102139 +157000 ekin = 2.13531004697561 | erot = 2.08604574913232 | epot = -12.5959787672234 | etot = -8.37462297111547 +158000 ekin = 2.12746223168599 | erot = 2.03132820631849 | epot = -12.5334134091002 | etot = -8.37462297109568 +159000 ekin = 2.10015103339202 | erot = 1.96448478928985 | epot = -12.4392587936245 | etot = -8.37462297094262 +160000 ekin = 2.0541841606366 | erot = 1.88751839461918 | epot = -12.3163255258996 | etot = -8.37462297064381 +161000 ekin = 1.99149541371268 | erot = 1.80350457154626 | epot = -12.1696229554605 | etot = -8.37462297020154 +162000 ekin = 1.91510266104675 | erot = 1.71656915682347 | epot = -12.0062947875074 | etot = -8.37462296963722 +163000 ekin = 1.82889680262201 | erot = 1.63175766791047 | epot = -11.8352774395234 | etot = -8.3746229689909 +164000 ekin = 1.73727850175332 | erot = 1.55477450557411 | epot = -11.6666759756462 | etot = -8.37462296831882 +165000 ekin = 1.64470875439839 | erot = 1.49159241029549 | epot = -11.5109241323761 | etot = -8.37462296768223 +166000 ekin = 1.55526715399568 | erot = 1.44796523954016 | epot = -11.3778553606751 | etot = -8.37462296713925 +167000 ekin = 1.47230568197306 | erot = 1.42890789301289 | epot = -11.2758365417201 | etot = -8.37462296673413 +168000 ekin = 1.39825202215286 | erot = 1.43822523216026 | epot = -11.2111002208049 | etot = -8.3746229664918 +169000 ekin = 1.33457196190104 | erot = 1.47816740254126 | epot = -11.1873623308593 | etot = -8.37462296641698 +170000 ekin = 1.28186404086271 | erot = 1.54925939136745 | epot = -11.2057463987274 | etot = -8.37462296649723 +171000 ekin = 1.24010532837011 | erot = 1.65031493319945 | epot = -11.2650432281453 | etot = -8.37462296657577 +172000 ekin = 1.20973432363878 | erot = 1.77850842430668 | epot = -11.362865714917 | etot = -8.37462296697156 +173000 ekin = 1.18958106737811 | erot = 1.9293947268165 | epot = -11.4935987616334 | etot = -8.37462296743879 +174000 ekin = 1.17780375666777 | erot = 2.09752621801777 | epot = -11.6499529426375 | etot = -8.37462296795192 +175000 ekin = 1.17250284106912 | erot = 2.27682305293096 | epot = -11.8239488624907 | etot = -8.37462296849064 +176000 ekin = 1.17177313417491 | erot = 2.46086230703702 | epot = -12.0072584102488 | etot = -8.37462296903687 +177000 ekin = 1.17372471418875 | erot = 2.64315812275379 | epot = -12.191505806514 | etot = -8.37462296957146 +178000 ekin = 1.17649725816054 | erot = 2.81745378599562 | epot = -12.3685740142275 | etot = -8.37462297007139 +179000 ekin = 1.17828959842921 | erot = 2.97803885665107 | epot = -12.5309514255904 | etot = -8.37462297051008 +180000 ekin = 1.17741681900998 | erot = 3.12008209304855 | epot = -12.6721218829184 | etot = -8.37462297085991 +181000 ekin = 1.17239479280082 | erot = 3.23994177497927 | epot = -12.7869595388779 | etot = -8.37462297109781 +182000 ekin = 1.16204161674185 | erot = 3.33528346670118 | epot = -12.8719480549261 | etot = -8.37462297148306 +183000 ekin = 1.14544700201186 | erot = 3.40346825728235 | epot = -12.9235382308529 | etot = -8.37462297155868 +184000 ekin = 1.12187454429756 | erot = 3.4438269073915 | epot = -12.9403244231946 | etot = -8.37462297150555 +185000 ekin = 1.09113819766574 | erot = 3.45752421108284 | epot = -12.9232853800834 | etot = -8.3746229713348 +186000 ekin = 1.05375177637567 | erot = 3.44681260248443 | epot = -12.8751873499234 | etot = -8.37462297106327 +187000 ekin = 1.01100426926464 | erot = 3.41470705189616 | epot = -12.800334291871 | etot = -8.37462297071016 +188000 ekin = 0.964980950088649 | erot = 3.36467106156785 | epot = -12.7042749819527 | etot = -8.37462297029619 +189000 ekin = 0.918502012521078 | erot = 3.30025095733196 | epot = -12.5933759397276 | etot = -8.3746229698746 +190000 ekin = 0.874955375625722 | erot = 3.22483721777127 | epot = -12.4744155628186 | etot = -8.37462296942164 +191000 ekin = 0.838012694189963 | erot = 3.14179385100163 | epot = -12.3544295141824 | etot = -8.37462296899082 +192000 ekin = 0.811264586710992 | erot = 3.05421641257329 | epot = -12.2401039678969 | etot = -8.37462296861265 +193000 ekin = 0.797833231457456 | erot = 2.96485918306279 | epot = -12.1373153828318 | etot = -8.37462296831155 +194000 ekin = 0.800032366300627 | erot = 2.87610608236578 | epot = -12.0507614167681 | etot = -8.37462296810165 +195000 ekin = 0.819137512919833 | erot = 2.78998115247748 | epot = -11.9837416333826 | etot = -8.37462296798529 +196000 ekin = 0.855301818719356 | erot = 2.70818765526146 | epot = -11.9381124419351 | etot = -8.37462296795424 +197000 ekin = 0.907617485284665 | erot = 2.63215574475441 | epot = -11.9143961980334 | etot = -8.37462296799427 +198000 ekin = 0.974291517584257 | erot = 2.56307623018399 | epot = -11.9119907158566 | etot = -8.37462296808839 +199000 ekin = 1.05288651878767 | erot = 2.50190471363121 | epot = -11.9294142006406 | etot = -8.37462296822169 +200000 ekin = 1.14057530731218 | erot = 2.44933274089538 | epot = -11.9645310165904 | etot = -8.37462296838287 +201000 ekin = 1.23436945655772 | erot = 2.40573577404698 | epot = -12.0147281991691 | etot = -8.37462296856442 +202000 ekin = 1.33129982084466 | erot = 2.37111655194155 | epot = -12.0770393415472 | etot = -8.37462296876096 +203000 ekin = 1.42854451444427 | erot = 2.34506402190567 | epot = -12.1482315053186 | etot = -8.37462296896862 +204000 ekin = 1.52351160571853 | erot = 2.32674290434264 | epot = -12.2248774792437 | etot = -8.37462296918254 +205000 ekin = 1.61388837060062 | erot = 2.31491995505471 | epot = -12.3034312950525 | etot = -8.37462296939715 +206000 ekin = 1.6976677526079 | erot = 2.30802500400466 | epot = -12.3803157262185 | etot = -8.37462296960589 +207000 ekin = 1.7731587468784 | erot = 2.30423562983894 | epot = -12.4520173465218 | etot = -8.37462296980448 +208000 ekin = 1.83898325555922 | erot = 2.30156289475855 | epot = -12.5151691203036 | etot = -8.37462296998581 +209000 ekin = 1.8940606525466 | erot = 2.29797193080362 | epot = -12.5666555534955 | etot = -8.37462297014531 +210000 ekin = 1.93758171355956 | erot = 2.29149245614553 | epot = -12.6036971399837 | etot = -8.37462297027863 +211000 ekin = 1.96897499678811 | erot = 2.28032999988876 | epot = -12.6239279670587 | etot = -8.37462297038181 +212000 ekin = 1.98787057423958 | erot = 2.26297816329946 | epot = -12.6254717079902 | etot = -8.37462297045112 +213000 ekin = 1.9940661531065 | erot = 2.23834847729537 | epot = -12.6070376008835 | etot = -8.37462297048167 +214000 ekin = 1.98749971048334 | erot = 2.20579329600804 | epot = -12.5679159769729 | etot = -8.37462297048154 +215000 ekin = 1.96823269345713 | erot = 2.16512069835555 | epot = -12.50797636226 | etot = -8.37462297044735 +216000 ekin = 1.93645036858781 | erot = 2.11663233289542 | epot = -12.4277056718665 | etot = -8.37462297038329 +217000 ekin = 1.89249565101126 | erot = 2.06105227365498 | epot = -12.3281708949562 | etot = -8.37462297028998 +218000 ekin = 1.83696296100957 | erot = 1.99944931813304 | epot = -12.2110352493002 | etot = -8.37462297015758 +219000 ekin = 1.77087997199992 | erot = 1.93321768349696 | epot = -12.0787206254576 | etot = -8.37462296996071 +220000 ekin = 1.69598414200819 | erot = 1.86416918368551 | epot = -11.9347762953548 | etot = -8.37462296966108 +221000 ekin = 1.61504938765088 | erot = 1.79472971030197 | epot = -11.7844020671754 | etot = -8.37462296922251 +222000 ekin = 1.53214607791996 | erot = 1.72813764736931 | epot = -11.6349066939255 | etot = -8.3746229686362 +223000 ekin = 1.45266240883145 | erot = 1.66846349300071 | epot = -11.4957488697764 | etot = -8.37462296794429 +224000 ekin = 1.38293292450132 | erot = 1.62027927221214 | epot = -11.3778351639601 | etot = -8.37462296724662 +225000 ekin = 1.32944348952763 | erot = 1.58793473617097 | epot = -11.2920011923816 | etot = -8.37462296668304 +226000 ekin = 1.29777350141001 | erot = 1.57457480049465 | epot = -11.2469712682749 | etot = -8.37462296637022 +227000 ekin = 1.2915871154549 | erot = 1.58136206120083 | epot = -11.2475721430407 | etot = -8.37462296638494 +228000 ekin = 1.3119916055049 | erot = 1.60705168356014 | epot = -11.2936662557524 | etot = -8.37462296668736 +229000 ekin = 1.35720775781584 | erot = 1.6487242796873 | epot = -11.3805550048115 | etot = -8.37462296730835 +230000 ekin = 1.42320705813345 | erot = 1.70117239435449 | epot = -11.4990024205433 | etot = -8.37462296805538 +231000 ekin = 1.50467169677602 | erot = 1.75808746579058 | epot = -11.6373821313703 | etot = -8.37462296880375 +232000 ekin = 1.59576180204816 | erot = 1.81345446216761 | epot = -11.7838392336753 | etot = -8.37462296945955 +233000 ekin = 1.69077156764805 | erot = 1.8623377060858 | epot = -11.9277322437063 | etot = -8.37462296997249 +234000 ekin = 1.78453671679948 | erot = 1.90129507954632 | epot = -12.0604547666799 | etot = -8.37462297033413 +235000 ekin = 1.87261122259015 | erot = 1.92842207171143 | epot = -12.1756562648651 | etot = -8.37462297056357 +236000 ekin = 1.95129507586097 | erot = 1.94312673772433 | epot = -12.2690447842764 | etot = -8.37462297069106 +237000 ekin = 2.01688127570934 | erot = 1.945878385496 | epot = -12.3373826321098 | etot = -8.37462297090445 +238000 ekin = 2.06554471096668 | erot = 1.93754713481341 | epot = -12.3777148167617 | etot = -8.37462297098157 +239000 ekin = 2.09498833917127 | erot = 1.91896908743888 | epot = -12.388580397607 | etot = -8.37462297099681 +240000 ekin = 2.10387887335875 | erot = 1.8911406789343 | epot = -12.3696425232258 | etot = -8.3746229709327 +241000 ekin = 2.09205058134753 | erot = 1.85524232773675 | epot = -12.3219158798526 | etot = -8.37462297076831 +242000 ekin = 2.06070692356709 | erot = 1.81270484104086 | epot = -12.2480347350935 | etot = -8.37462297048556 +243000 ekin = 2.01255526288362 | erot = 1.76529169809244 | epot = -12.152469931059 | etot = -8.37462297008292 +244000 ekin = 1.95178746173521 | erot = 1.71512317980711 | epot = -12.0415336111134 | etot = -8.37462296957109 +245000 ekin = 1.88387514784669 | erot = 1.66462101119846 | epot = -11.9231191280349 | etot = -8.37462296898979 +246000 ekin = 1.81512558267746 | erot = 1.61637080971478 | epot = -11.8061193607923 | etot = -8.37462296840006 +247000 ekin = 1.75197548737566 | erot = 1.5728912903863 | epot = -11.6994897456374 | etot = -8.37462296787547 +248000 ekin = 1.70016015194902 | erot = 1.5363664174364 | epot = -11.6111495368736 | etot = -8.37462296748817 +249000 ekin = 1.66404391454297 | erot = 1.50839677555172 | epot = -11.5470636572543 | etot = -8.3746229671596 +250000 ekin = 1.64635032469229 | erot = 1.48977166427928 | epot = -11.5107449561774 | etot = -8.37462296720584 +251000 ekin = 1.64670868822414 | erot = 1.48021150770257 | epot = -11.5015431633557 | etot = -8.37462296742897 +252000 ekin = 1.66264181464383 | erot = 1.47871062656297 | epot = -11.5159754089801 | etot = -8.37462296777332 +253000 ekin = 1.69027564040396 | erot = 1.48380069510011 | epot = -11.5486993036766 | etot = -8.37462296817249 +254000 ekin = 1.72505301291723 | erot = 1.49382397147224 | epot = -11.593499952956 | etot = -8.37462296856652 +255000 ekin = 1.76239471231517 | erot = 1.50720813838028 | epot = -11.6442258196118 | etot = -8.37462296891633 +256000 ekin = 1.79816893498569 | erot = 1.52259254469775 | epot = -11.6953844488861 | etot = -8.37462296920265 +257000 ekin = 1.82895095239692 | erot = 1.53887801863897 | epot = -11.7424519404559 | etot = -8.37462296941997 +258000 ekin = 1.85212386739561 | erot = 1.55528591409788 | epot = -11.7820327510626 | etot = -8.37462296956908 +259000 ekin = 1.86588413888215 | erot = 1.57137656836564 | epot = -11.8118836768993 | etot = -8.37462296965154 +260000 ekin = 1.86922537289867 | erot = 1.58707491263398 | epot = -11.8309232551859 | etot = -8.37462296965327 +261000 ekin = 1.86194745777955 | erot = 1.60277606186355 | epot = -11.8393464893234 | etot = -8.3746229696803 +262000 ekin = 1.84441202421295 | erot = 1.61874454524355 | epot = -11.8377795390081 | etot = -8.37462296955161 +263000 ekin = 1.81775632997606 | erot = 1.63584439963916 | epot = -11.8282236989399 | etot = -8.37462296932469 +264000 ekin = 1.78414336143448 | erot = 1.65581672859407 | epot = -11.8145830590343 | etot = -8.37462296900574 +265000 ekin = 1.74659811333657 | erot = 1.68088156362787 | epot = -11.8021026455966 | etot = -8.37462296863215 +266000 ekin = 1.70875551588584 | erot = 1.71332387538078 | epot = -11.7967023595414 | etot = -8.37462296827477 +267000 ekin = 1.67443624978574 | erot = 1.7550108928448 | epot = -11.8040701106191 | etot = -8.37462296798853 +268000 ekin = 1.64712713207523 | erot = 1.80695733277667 | epot = -11.8287074326935 | etot = -8.37462296784159 +269000 ekin = 1.62949021142684 | erot = 1.8688326756718 | epot = -11.8729458549715 | etot = -8.37462296787285 +270000 ekin = 1.62285159922472 | erot = 1.93872810894281 | epot = -11.9362026762891 | etot = -8.37462296812156 +271000 ekin = 1.6268863104375 | erot = 2.01317767222039 | epot = -12.0146869512063 | etot = -8.37462296854845 +272000 ekin = 1.63981668010415 | erot = 2.08746423747643 | epot = -12.1019038866665 | etot = -8.37462296908593 +273000 ekin = 1.65880091169022 | erot = 2.15626799363764 | epot = -12.1896918749698 | etot = -8.37462296964197 +274000 ekin = 1.68050753849913 | erot = 2.2144872213087 | epot = -12.2696177299304 | etot = -8.37462297012254 +275000 ekin = 1.70172643739792 | erot = 2.25805265702192 | epot = -12.3344020648724 | etot = -8.37462297045251 +276000 ekin = 1.71987527696161 | erot = 2.28456562448906 | epot = -12.3790638720395 | etot = -8.37462297058887 +277000 ekin = 1.73331269261593 | erot = 2.29364905663789 | epot = -12.4015847197774 | etot = -8.37462297052361 +278000 ekin = 1.74143735013745 | erot = 2.28698125838894 | epot = -12.4030415787994 | etot = -8.37462297027302 +279000 ekin = 1.74460802870594 | erot = 2.26806682992263 | epot = -12.3872978285229 | etot = -8.37462296989437 +280000 ekin = 1.74394008412444 | erot = 2.24171314051926 | epot = -12.3602761940829 | etot = -8.37462296943918 +281000 ekin = 1.74088698058183 | erot = 2.21312908436282 | epot = -12.3286390340534 | etot = -8.37462296910875 +282000 ekin = 1.7366965645871 | erot = 2.18704204449556 | epot = -12.2983615778781 | etot = -8.37462296879543 +283000 ekin = 1.732290073716 | erot = 2.16744679622838 | epot = -12.2743598385787 | etot = -8.37462296863431 +284000 ekin = 1.72792109204538 | erot = 2.15675164213738 | epot = -12.2592957028517 | etot = -8.3746229686689 +285000 ekin = 1.72297480902862 | erot = 2.15537559427286 | epot = -12.2529733722001 | etot = -8.37462296889862 +286000 ekin = 1.71598432453039 | erot = 2.16179000838375 | epot = -12.2523973021716 | etot = -8.37462296925743 +287000 ekin = 1.70498524220327 | erot = 2.17315503013707 | epot = -12.2527632419523 | etot = -8.37462296961193 +288000 ekin = 1.68823578051942 | erot = 2.18649203663142 | epot = -12.2493507869533 | etot = -8.37462296980243 +289000 ekin = 1.66510970376211 | erot = 2.19999055777926 | epot = -12.2397232312615 | etot = -8.37462296972011 +290000 ekin = 1.63674302037987 | erot = 2.21381252699345 | epot = -12.2251785167484 | etot = -8.37462296937506 +291000 ekin = 1.60601874197424 | erot = 2.22992661048329 | epot = -12.2105683213541 | etot = -8.37462296889661 +292000 ekin = 1.57682389343777 | erot = 2.25107800691089 | epot = -12.2025248687821 | etot = -8.37462296843347 +293000 ekin = 1.55301992418707 | erot = 2.27950943304611 | epot = -12.2071523254135 | etot = -8.37462296818029 +294000 ekin = 1.53731454048196 | erot = 2.31583078837889 | epot = -12.2277682970271 | etot = -8.37462296816629 +295000 ekin = 1.53083265562523 | erot = 2.35873605655292 | epot = -12.2641916805469 | etot = -8.37462296836872 +296000 ekin = 1.53318706455254 | erot = 2.4052808467906 | epot = -12.3130908800621 | etot = -8.37462296871895 +297000 ekin = 1.54281493583631 | erot = 2.45151931863468 | epot = -12.3689572236285 | etot = -8.37462296915754 +298000 ekin = 1.55733608765133 | erot = 2.49306411731949 | epot = -12.4250231746883 | etot = -8.37462296971744 +299000 ekin = 1.57407386288266 | erot = 2.52498633848769 | epot = -12.473683171534 | etot = -8.37462297016362 +300000 ekin = 1.59001535760027 | erot = 2.54349315182865 | epot = -12.5081314800016 | etot = -8.37462297057271 +301000 ekin = 1.60189886822636 | erot = 2.54585083166192 | epot = -12.5223726708137 | etot = -8.3746229709254 +302000 ekin = 1.60620251585623 | erot = 2.53039812867646 | epot = -12.5112236158409 | etot = -8.37462297130826 +303000 ekin = 1.59914065240599 | erot = 2.49598280993792 | epot = -12.4697464340452 | etot = -8.37462297170129 +304000 ekin = 1.57679795693766 | erot = 2.44177332378527 | epot = -12.3931942527977 | etot = -8.37462297207482 +305000 ekin = 1.53574304374055 | erot = 2.36761905414217 | epot = -12.2779850699661 | etot = -8.37462297208338 +306000 ekin = 1.4739286655962 | erot = 2.27453104047924 | epot = -12.1230826782583 | etot = -8.37462297218286 +307000 ekin = 1.39050823398577 | erot = 2.16376504506915 | epot = -11.9288962509201 | etot = -8.37462297186516 +308000 ekin = 1.28961522980587 | erot = 2.039776672584 | epot = -11.7040148706632 | etot = -8.37462296827334 +309000 ekin = 1.0578293749372 | erot = 1.83361716570652 | epot = -11.2660695010506 | etot = -8.37462296040685 +310000 ekin = 1.14450415449021 | erot = 1.58483272602451 | epot = -11.103959838692 | etot = -8.37462295817728 +311000 ekin = 1.41922601312504 | erot = 1.45460499880731 | epot = -11.2484540448428 | etot = -8.37462303291044 +312000 ekin = 1.45261330232178 | erot = 1.37611906651658 | epot = -11.2033554015526 | etot = -8.37462303271421 +313000 ekin = 1.47884377174098 | erot = 1.31854286229477 | epot = -11.1720096664216 | etot = -8.37462303238585 +314000 ekin = 1.49756299811574 | erot = 1.28320357876905 | epot = -11.1553896088949 | etot = -8.37462303201008 +315000 ekin = 1.51332559187953 | erot = 1.27043025389329 | epot = -11.1583788774965 | etot = -8.37462303172366 +316000 ekin = 1.53080061117969 | erot = 1.27925593275756 | epot = -11.1846795755424 | etot = -8.37462303160514 +317000 ekin = 1.55378721590823 | erot = 1.30719554367504 | epot = -11.2356057912733 | etot = -8.37462303169002 +318000 ekin = 1.58370434541029 | erot = 1.34913652060387 | epot = -11.3074638985376 | etot = -8.37462303252346 +319000 ekin = 1.61943484148203 | erot = 1.39801478359231 | epot = -11.3920726581924 | etot = -8.37462303311802 +320000 ekin = 1.65864783760474 | erot = 1.44696670459029 | epot = -11.4802375759965 | etot = -8.37462303380145 +321000 ekin = 1.69766983847289 | erot = 1.48920524279011 | epot = -11.561498115728 | etot = -8.37462303446499 +322000 ekin = 1.73222385846008 | erot = 1.51888544570663 | epot = -11.6257323391488 | etot = -8.37462303498212 +323000 ekin = 1.75834700852284 | erot = 1.53202956630737 | epot = -11.6649996100693 | etot = -8.37462303523908 +324000 ekin = 1.7732465004629 | erot = 1.5273259702946 | epot = -11.6751955059262 | etot = -8.37462303516874 +325000 ekin = 1.77583924216924 | erot = 1.50655389358375 | epot = -11.6570161705538 | etot = -8.37462303480081 +326000 ekin = 1.76682929376817 | erot = 1.47436928283839 | epot = -11.6158216107554 | etot = -8.37462303414888 +327000 ekin = 1.74834602231073 | erot = 1.4379436720269 | epot = -11.5609127276988 | etot = -8.37462303336115 +328000 ekin = 1.72331109821176 | erot = 1.40578615079664 | epot = -11.5037202815769 | etot = -8.37462303256846 +329000 ekin = 1.69488797673317 | erot = 1.3863558002332 | epot = -11.4558668088442 | etot = -8.37462303187786 +330000 ekin = 1.66566513334694 | erot = 1.38702252391914 | epot = -11.4273106886493 | etot = -8.37462303138319 +331000 ekin = 1.6373218516614 | erot = 1.41331220646666 | epot = -11.4252570892349 | etot = -8.37462303110686 +332000 ekin = 1.61073968003952 | erot = 1.46826665363511 | epot = -11.453629364732 | etot = -8.37462303105739 +333000 ekin = 1.5860523210645 | erot = 1.55220559043164 | epot = -11.5128809427305 | etot = -8.37462303123435 +334000 ekin = 1.56284415922285 | erot = 1.66255678080492 | epot = -11.600023971619 | etot = -8.37462303159123 +335000 ekin = 1.54014240613776 | erot = 1.79443783502794 | epot = -11.7092032732475 | etot = -8.37462303208181 +336000 ekin = 1.5167045521657 | erot = 1.94117931563298 | epot = -11.8325069004484 | etot = -8.3746230326497 +337000 ekin = 1.49128277555494 | erot = 2.09492414345281 | epot = -11.9608299522434 | etot = -8.37462303323563 +338000 ekin = 1.46282625482992 | erot = 2.24735936520941 | epot = -12.0848086538231 | etot = -8.37462303378375 +339000 ekin = 1.43063896798261 | erot = 2.39044100153422 | epot = -12.1957030037649 | etot = -8.37462303424805 +340000 ekin = 1.39448012483982 | erot = 2.51702660359006 | epot = -12.2861297630263 | etot = -8.3746230345964 +341000 ekin = 1.35460313822206 | erot = 2.6213528403744 | epot = -12.3505790134087 | etot = -8.37462303481223 +342000 ekin = 1.31173936863004 | erot = 2.69933546749698 | epot = -12.385697871018 | etot = -8.37462303489103 +343000 ekin = 1.26704159860198 | erot = 2.74871044551737 | epot = -12.390375078956 | etot = -8.37462303483662 +344000 ekin = 1.22200654509472 | erot = 2.76906107654549 | epot = -12.3656906562962 | etot = -8.37462303465604 +345000 ekin = 1.17839357225688 | erot = 2.7617768946551 | epot = -12.3147935012699 | etot = -8.37462303435793 +346000 ekin = 1.13814730560306 | erot = 2.72996678569835 | epot = -12.2427371252557 | etot = -8.37462303395427 +347000 ekin = 1.10331757839143 | erot = 2.67831421953948 | epot = -12.1562548313949 | etot = -8.374623033464 +348000 ekin = 1.07595787263669 | erot = 2.61283600667651 | epot = -12.0634169122313 | etot = -8.37462303291812 +349000 ekin = 1.05798147191732 | erot = 2.54050407789418 | epot = -11.9731085821733 | etot = -8.37462303236178 +350000 ekin = 1.05096760963779 | erot = 2.46871550808003 | epot = -11.8943061495696 | etot = -8.37462303185175 +351000 ekin = 1.055934374293 | erot = 2.40463774698031 | epot = -11.8351951527218 | etot = -8.37462303144848 +352000 ekin = 1.07311971186474 | erot = 2.35449555191691 | epot = -11.802238294989 | etot = -8.37462303120734 +353000 ekin = 1.10182415540774 | erot = 2.32288867128237 | epot = -11.7993358578587 | etot = -8.37462303116861 +354000 ekin = 1.14036300464639 | erot = 2.31223409502398 | epot = -11.8272201310208 | etot = -8.37462303135046 +355000 ekin = 1.18615564007818 | erot = 2.32242185962034 | epot = -11.8832005314415 | etot = -8.37462303174298 +356000 ekin = 1.23595386569849 | erot = 2.35076326964225 | epot = -11.9613401676472 | etot = -8.37462303230647 +357000 ekin = 1.28618457758612 | erot = 2.39228504524977 | epot = -12.0530926558097 | etot = -8.37462303297378 +358000 ekin = 1.33335672484009 | erot = 2.44036693764229 | epot = -12.1483466961434 | etot = -8.37462303366097 +359000 ekin = 1.3744661142348 | erot = 2.48763760748978 | epot = -12.2367267560058 | etot = -8.37462303428119 +360000 ekin = 1.40733698540061 | erot = 2.52696891747122 | epot = -12.3089289376309 | etot = -8.37462303475905 +361000 ekin = 1.4308523011706 | erot = 2.55266032656765 | epot = -12.35813566267 | etot = -8.37462303493178 +362000 ekin = 1.4449802341948 | erot = 2.56161192448427 | epot = -12.3812151936927 | etot = -8.37462303501366 +363000 ekin = 1.45080808015421 | erot = 2.55177253019042 | epot = -12.3772036452516 | etot = -8.37462303490699 +364000 ekin = 1.45046982069901 | erot = 2.52283864584328 | epot = -12.3479315011827 | etot = -8.37462303464038 +365000 ekin = 1.44693366151984 | erot = 2.47609933176712 | epot = -12.2976560275503 | etot = -8.3746230342633 +366000 ekin = 1.44366094468002 | erot = 2.41401126337658 | epot = -12.2322952418937 | etot = -8.37462303383704 +367000 ekin = 1.44416618229162 | erot = 2.33969773429716 | epot = -12.1584869500125 | etot = -8.37462303342374 +368000 ekin = 1.45154164412073 | erot = 2.25648465085064 | epot = -12.0826493280453 | etot = -8.37462303307398 +369000 ekin = 1.46802482611055 | erot = 2.16757470029821 | epot = -12.010222559226 | etot = -8.37462303281721 +370000 ekin = 1.49468484157952 | erot = 2.07591739973062 | epot = -11.9452252739688 | etot = -8.37462303265869 +371000 ekin = 1.53128479294091 | erot = 1.98426522628829 | epot = -11.8901730518129 | etot = -8.37462303258368 +372000 ekin = 1.57634160155613 | erot = 1.8953362606454 | epot = -11.8463008947685 | etot = -8.374623032567 +373000 ekin = 1.62736107596715 | erot = 1.81196417168806 | epot = -11.8139482802385 | etot = -8.37462303258332 +374000 ekin = 1.68119274504245 | erot = 1.73713269144088 | epot = -11.7929484690968 | etot = -8.37462303261351 +375000 ekin = 1.73444043052933 | erot = 1.67385884334656 | epot = -11.7829223065195 | etot = -8.37462303264361 +376000 ekin = 1.78387586144014 | erot = 1.62497473906331 | epot = -11.7834736331733 | etot = -8.37462303266983 +377000 ekin = 1.82648186091977 | erot = 1.59275354369161 | epot = -11.7938584374902 | etot = -8.37462303287884 +378000 ekin = 1.85889028460836 | erot = 1.57838589666623 | epot = -11.8118992141858 | etot = -8.37462303291125 +379000 ekin = 1.87974734421412 | erot = 1.58231910072821 | epot = -11.8366894778907 | etot = -8.37462303294839 +380000 ekin = 1.88876618247971 | erot = 1.6039785204282 | epot = -11.8673677359262 | etot = -8.37462303301827 +381000 ekin = 1.88634387025615 | erot = 1.6416225350766 | epot = -11.9025894384717 | etot = -8.37462303313899 +382000 ekin = 1.87329602399987 | erot = 1.69239968364314 | epot = -11.9403187409513 | etot = -8.37462303330827 +383000 ekin = 1.8506776691208 | erot = 1.75260724973969 | epot = -11.9779079523648 | etot = -8.37462303350427 +384000 ekin = 1.81972884480745 | erot = 1.81808771261031 | epot = -12.0124395911113 | etot = -8.37462303369356 +385000 ekin = 1.78192764776998 | erot = 1.88463133786728 | epot = -12.0411820195034 | etot = -8.37462303386617 +386000 ekin = 1.7389611730154 | erot = 1.94830024178168 | epot = -12.0618844487816 | etot = -8.37462303398448 +387000 ekin = 1.6926170395659 | erot = 2.00550933075364 | epot = -12.0727494044579 | etot = -8.37462303413835 +388000 ekin = 1.64442362564975 | erot = 2.05290262288172 | epot = -12.0719492828229 | etot = -8.3746230342914 +389000 ekin = 1.59562809726233 | erot = 2.08769097010103 | epot = -12.0579421017188 | etot = -8.37462303435545 +390000 ekin = 1.54727258078712 | erot = 2.10804034821868 | epot = -12.0299359634134 | etot = -8.37462303440755 +391000 ekin = 1.5004266868918 | erot = 2.11301685840078 | epot = -11.988066579574 | etot = -8.37462303428138 +392000 ekin = 1.45669956782597 | erot = 2.10352612083869 | epot = -11.934848722603 | etot = -8.37462303393835 +393000 ekin = 1.41857599109012 | erot = 2.08263213471398 | epot = -11.875831159199 | etot = -8.37462303339486 +394000 ekin = 1.38932612627839 | erot = 2.05528425943482 | epot = -11.8192334184618 | etot = -8.37462303274861 +395000 ekin = 1.37246101478421 | erot = 2.02739319427239 | epot = -11.7744772412156 | etot = -8.37462303215901 +396000 ekin = 1.37078907987896 | erot = 2.00445159240664 | epot = -11.7498637040825 | etot = -8.37462303179685 +397000 ekin = 1.38538853999943 | erot = 1.99011302537625 | epot = -11.7501245971575 | etot = -8.37462303178181 +398000 ekin = 1.41490531161701 | erot = 1.98519641778399 | epot = -11.7747247615396 | etot = -8.37462303213862 +399000 ekin = 1.45547085036343 | erot = 1.98743025594767 | epot = -11.8175241391056 | etot = -8.37462303279446 +400000 ekin = 1.50126526406662 | erot = 1.99196444869315 | epot = -11.8678527463724 | etot = -8.3746230336126 +401000 ekin = 1.54549713891549 | erot = 1.99242148352443 | epot = -11.9125416568768 | etot = -8.37462303443686 +402000 ekin = 1.58148802753449 | erot = 1.98217540610574 | epot = -11.9382864687617 | etot = -8.37462303512152 +403000 ekin = 1.60364407572846 | erot = 1.95563446459428 | epot = -11.9339015758638 | etot = -8.37462303554105 +404000 ekin = 1.60823718231449 | erot = 1.90940860688998 | epot = -11.8922688248045 | etot = -8.37462303560003 +405000 ekin = 1.59393186875414 | erot = 1.84321418438518 | epot = -11.8117690883971 | etot = -8.37462303525783 +406000 ekin = 1.56197926550461 | erot = 1.76026394072057 | epot = -11.6968662407814 | etot = -8.37462303455625 +407000 ekin = 1.51595319782289 | erot = 1.66689496115233 | epot = -11.5574711925961 | etot = -8.37462303362087 +408000 ekin = 1.46103089399041 | erot = 1.57144700034374 | epot = -11.4071009269552 | etot = -8.374623032621 +409000 ekin = 1.40302353808214 | erot = 1.48274963105006 | epot = -11.2603962008454 | etot = -8.37462303171318 +410000 ekin = 1.34747963365306 | erot = 1.40871679572282 | epot = -11.1308194603671 | etot = -8.37462303099118 +411000 ekin = 1.2414284292792 | erot = 1.36765891027364 | epot = -10.9837103545922 | etot = -8.37462301503931 +412000 ekin = 1.07606206466598 | erot = 1.44463891804017 | epot = -10.8953239884252 | etot = -8.37462300571905 +413000 ekin = 1.04694922469639 | erot = 1.51102600613188 | epot = -10.9325982588149 | etot = -8.37462302798667 +414000 ekin = 1.03606467090392 | erot = 1.52895884328666 | epot = -10.9396465423142 | etot = -8.37462302812358 +415000 ekin = 1.03698178422018 | erot = 1.56970634086054 | epot = -10.9813111534884 | etot = -8.3746230284077 +416000 ekin = 1.0484279442172 | erot = 1.63005774223143 | epot = -11.0531087152573 | etot = -8.37462302880862 +417000 ekin = 1.06841333535673 | erot = 1.70571770479095 | epot = -11.1487540694421 | etot = -8.37462302929443 +418000 ekin = 1.09444701005109 | erot = 1.79158405306266 | epot = -11.2606540929522 | etot = -8.37462302983849 +419000 ekin = 1.12371544113075 | erot = 1.88200392342424 | epot = -11.3803423949712 | etot = -8.37462303041625 +420000 ekin = 1.15322596863741 | erot = 1.97103956947901 | epot = -11.4988885691128 | etot = -8.37462303099641 +421000 ekin = 1.17996638670221 | erot = 2.05281125535604 | epot = -11.6074006735892 | etot = -8.37462303153091 +422000 ekin = 1.20115062981133 | erot = 2.12197272517915 | epot = -11.6977463869443 | etot = -8.37462303195381 +423000 ekin = 1.21456879342739 | erot = 2.17429924607165 | epot = -11.7634910716972 | etot = -8.37462303219813 +424000 ekin = 1.21895541018794 | erot = 2.20725430505418 | epot = -11.8008327474652 | etot = -8.37462303222309 +425000 ekin = 1.21420953470736 | erot = 2.22030001430874 | epot = -11.8091325810583 | etot = -8.37462303204219 +426000 ekin = 1.20134505265812 | erot = 2.214761428149 | epot = -11.7907295125141 | etot = -8.37462303170695 +427000 ekin = 1.18219319315412 | erot = 2.19340434236676 | epot = -11.7502205668115 | etot = -8.37462303129061 +428000 ekin = 1.15899921940922 | erot = 2.15981652249817 | epot = -11.6934387727657 | etot = -8.37462303085828 +429000 ekin = 1.13415683500802 | erot = 2.11790831243066 | epot = -11.6266881762556 | etot = -8.37462302881691 +430000 ekin = 1.11403963820971 | erot = 2.07460238347228 | epot = -11.5632650504428 | etot = -8.37462302876084 +431000 ekin = 1.10124843427953 | erot = 2.03325324116064 | epot = -11.5091247042084 | etot = -8.37462302876824 +432000 ekin = 1.09509673682051 | erot = 1.99414694703558 | epot = -11.4638667126925 | etot = -8.37462302883644 +433000 ekin = 1.09463609314624 | erot = 1.95711348582247 | epot = -11.4263726079127 | etot = -8.37462302894401 +434000 ekin = 1.0980947201295 | erot = 1.9211128356985 | epot = -11.3938305852091 | etot = -8.37462302938109 +435000 ekin = 1.10341624338792 | erot = 1.88492142830318 | epot = -11.3629607010968 | etot = -8.37462302940571 +436000 ekin = 1.11020757162805 | erot = 1.84854231975901 | epot = -11.3333729208369 | etot = -8.37462302944983 +437000 ekin = 1.11803889537731 | erot = 1.81186902511195 | epot = -11.3045309499979 | etot = -8.37462302950868 +438000 ekin = 1.12642172160223 | erot = 1.77470718111897 | epot = -11.2757519322953 | etot = -8.37462302957406 +439000 ekin = 1.13485148153866 | erot = 1.73686282079482 | epot = -11.2463373319672 | etot = -8.37462302963374 +440000 ekin = 1.14287335820563 | erot = 1.69826079507224 | epot = -11.2157571829505 | etot = -8.37462302967267 +441000 ekin = 1.15016795453003 | erot = 1.65908318343061 | epot = -11.1838741676311 | etot = -8.37462302967045 +442000 ekin = 1.15664284201482 | erot = 1.61992313518266 | epot = -11.1511890068216 | etot = -8.37462302962409 +443000 ekin = 1.16253418069013 | erot = 1.58179210099529 | epot = -11.1189493112082 | etot = -8.37462302952279 +444000 ekin = 1.16846798531266 | erot = 1.5461446661337 | epot = -11.0892356808159 | etot = -8.37462302936959 +445000 ekin = 1.17546820346624 | erot = 1.51479732961039 | epot = -11.0648885622563 | etot = -8.37462302917964 +446000 ekin = 1.18488743024694 | erot = 1.4897380208828 | epot = -11.0492484801105 | etot = -8.37462302898081 +447000 ekin = 1.19824347153649 | erot = 1.47284289980585 | epot = -11.0457094001527 | etot = -8.37462302881034 +448000 ekin = 1.21696535091566 | erot = 1.4655476599557 | epot = -11.0571360395825 | etot = -8.37462302871109 +449000 ekin = 1.24207954598559 | erot = 1.46851271093831 | epot = -11.0852152856444 | etot = -8.37462302872051 +450000 ekin = 1.27389445230352 | erot = 1.48136016742263 | epot = -11.129877648597 | etot = -8.37462302887088 +451000 ekin = 1.31179903842807 | erot = 1.50255470267712 | epot = -11.1889767701161 | etot = -8.37462302901093 +452000 ekin = 1.35460859520386 | erot = 1.52989164327156 | epot = -11.2591232679085 | etot = -8.37462302943311 +453000 ekin = 1.39989469250065 | erot = 1.55983588432741 | epot = -11.3343536067678 | etot = -8.37462302993971 +454000 ekin = 1.4443795754955 | erot = 1.58822152329946 | epot = -11.4072241292536 | etot = -8.37462303045863 +455000 ekin = 1.48456015878112 | erot = 1.6110361600441 | epot = -11.4702193497298 | etot = -8.37462303090461 +456000 ekin = 1.5173332961521 | erot = 1.62510652435415 | epot = -11.5170628516973 | etot = -8.37462303119105 +457000 ekin = 1.54029245797507 | erot = 1.62854015385721 | epot = -11.5434556431077 | etot = -8.37462303127543 +458000 ekin = 1.55209787062638 | erot = 1.62122255615519 | epot = -11.5479434578284 | etot = -8.37462303104684 +459000 ekin = 1.55414659187634 | erot = 1.6057199111291 | epot = -11.5344895335887 | etot = -8.37462303058322 +460000 ekin = 1.54960099436722 | erot = 1.58640018749909 | epot = -11.5106242118337 | etot = -8.37462302996738 +461000 ekin = 1.54273124224815 | erot = 1.56872252266498 | epot = -11.4860767942389 | etot = -8.37462302932575 +462000 ekin = 1.5379558944902 | erot = 1.55825929919717 | epot = -11.4708382224928 | etot = -8.3746230288054 +463000 ekin = 1.53875903307901 | erot = 1.55959299575919 | epot = -11.4729750573654 | etot = -8.37462302852723 +464000 ekin = 1.5468202951179 | erot = 1.5753418689505 | epot = -11.4967851926248 | etot = -8.37462302855638 +465000 ekin = 1.5616294650245 | erot = 1.60564212073123 | epot = -11.5418946146288 | etot = -8.37462302887307 +466000 ekin = 1.58070265304299 | erot = 1.64822662156225 | epot = -11.603552303989 | etot = -8.37462302938373 +467000 ekin = 1.60035208027293 | erot = 1.69905719079097 | epot = -11.6740323010126 | etot = -8.37462302994875 +468000 ekin = 1.61673623107329 | erot = 1.75335443246826 | epot = -11.7447136939725 | etot = -8.37462303043099 +469000 ekin = 1.62683085007104 | erot = 1.80670922025691 | epot = -11.8081631010581 | etot = -8.37462303073019 +470000 ekin = 1.62907239972705 | erot = 1.85596584024091 | epot = -11.8596612707768 | etot = -8.37462303080888 +471000 ekin = 1.62354687373203 | erot = 1.8996612917076 | epot = -11.897831196133 | etot = -8.37462303069334 +472000 ekin = 1.61170510379461 | erot = 1.93800410341077 | epot = -11.9243322376463 | etot = -8.37462303044088 +473000 ekin = 1.59590324450911 | erot = 1.97246730641982 | epot = -11.9429935810563 | etot = -8.37462303012741 +474000 ekin = 1.5788652318122 | erot = 2.00526149881422 | epot = -11.9587497604456 | etot = -8.37462302981915 +475000 ekin = 1.56312071578956 | erot = 2.03882982960352 | epot = -11.97657357496 | etot = -8.37462302956695 +476000 ekin = 1.55063074695145 | erot = 2.07545668637062 | epot = -12.0007104627129 | etot = -8.37462302939086 +477000 ekin = 1.54263588410857 | erot = 2.11704231172364 | epot = -12.0343012251349 | etot = -8.37462302930267 +478000 ekin = 1.53956151542023 | erot = 2.16493101565207 | epot = -12.079115560379 | etot = -8.37462302930667 +479000 ekin = 1.54104337297963 | erot = 2.21977101927418 | epot = -12.1354374216592 | etot = -8.37462302940542 +480000 ekin = 1.54600976096978 | erot = 2.28138261400151 | epot = -12.202015404568 | etot = -8.37462302959675 +481000 ekin = 1.55280606024745 | erot = 2.34867771788771 | epot = -12.2761068080027 | etot = -8.37462302986758 +482000 ekin = 1.55937339634714 | erot = 2.41971772771095 | epot = -12.3537141542431 | etot = -8.37462303018505 +483000 ekin = 1.56350104452682 | erot = 2.49198464322671 | epot = -12.4301087182504 | etot = -8.37462303049682 +484000 ekin = 1.56314467772463 | erot = 2.56280026280356 | epot = -12.5005679712774 | etot = -8.37462303074924 +485000 ekin = 1.55677099189266 | erot = 2.62990187864781 | epot = -12.561295901425 | etot = -8.37462303088452 +486000 ekin = 1.54362230241397 | erot = 2.69196691951125 | epot = -12.6102122528186 | etot = -8.37462303089336 +487000 ekin = 1.52381043791577 | erot = 2.74866369544776 | epot = -12.647097164163 | etot = -8.37462303079951 +488000 ekin = 1.49822858843954 | erot = 2.80041322794242 | epot = -12.6732648470337 | etot = -8.37462303065175 +489000 ekin = 1.46832177710726 | erot = 2.84792010719231 | epot = -12.6908649148032 | etot = -8.37462303050367 +490000 ekin = 1.43580907600697 | erot = 2.89167668868307 | epot = -12.7021087950844 | etot = -8.37462303039437 +491000 ekin = 1.40244626498263 | erot = 2.93162068131092 | epot = -12.7086899766333 | etot = -8.37462303033977 +492000 ekin = 1.36987596423218 | erot = 2.9670311886878 | epot = -12.7115301832547 | etot = -8.3746230303347 +493000 ekin = 1.33956200675526 | erot = 2.99664446239428 | epot = -12.7108294995122 | etot = -8.37462303036264 +494000 ekin = 1.31276816320931 | erot = 3.01889804551771 | epot = -12.7062892391349 | etot = -8.37462303040788 +495000 ekin = 1.29052832589647 | erot = 3.03218505524657 | epot = -12.6973364116076 | etot = -8.3746230304646 +496000 ekin = 1.27356858864311 | erot = 3.035022985778 | epot = -12.683214604961 | etot = -8.37462303053987 +497000 ekin = 1.26217859738859 | erot = 3.02610963123424 | epot = -12.6629112592681 | etot = -8.37462303064528 +498000 ekin = 1.25609176092333 | erot = 3.00437387242381 | epot = -12.63508866407 | etot = -8.37462303072284 +499000 ekin = 1.25448433544043 | erot = 2.96925958209368 | epot = -12.5983669483981 | etot = -8.37462303086403 +500000 ekin = 1.25592311954888 | erot = 2.92052794168088 | epot = -12.5510740922046 | etot = -8.37462303097485 +501000 ekin = 1.25866262015662 | erot = 2.85877857413216 | epot = -12.4920642252914 | etot = -8.37462303100262 +502000 ekin = 1.26101030104231 | erot = 2.78589367847382 | epot = -12.4215270104231 | etot = -8.37462303090696 +503000 ekin = 1.2616822409827 | erot = 2.70525686265705 | epot = -12.341562134315 | etot = -8.37462303067522 +504000 ekin = 1.26006875273123 | erot = 2.62162663921815 | epot = -12.2563184222851 | etot = -8.37462303033575 +505000 ekin = 1.25635230634372 | erot = 2.54066101850671 | epot = -12.1716363547708 | etot = -8.37462302992033 +506000 ekin = 1.25147361583387 | erot = 2.46829686832008 | epot = -12.0943935136487 | etot = -8.37462302949473 +507000 ekin = 1.24695832252401 | erot = 2.40991559866008 | epot = -12.0314969503144 | etot = -8.37462302913032 +508000 ekin = 1.24460011261898 | erot = 2.36947588934082 | epot = -11.9886990309703 | etot = -8.37462302901048 +509000 ekin = 1.24584437165075 | erot = 2.34837731731078 | epot = -11.968844717957 | etot = -8.37462302899552 +510000 ekin = 1.25172041123594 | erot = 2.34550382347416 | epot = -11.9718472639378 | etot = -8.37462302922773 +511000 ekin = 1.26248317250925 | erot = 2.35680066397849 | epot = -11.9939068661987 | etot = -8.37462302971099 +512000 ekin = 1.27739486770368 | erot = 2.37529788848781 | epot = -12.0273157865876 | etot = -8.37462303039607 +513000 ekin = 1.29481021505143 | erot = 2.39185405428337 | epot = -12.0612873005117 | etot = -8.37462303117693 +514000 ekin = 1.31250889880556 | erot = 2.39651406027282 | epot = -12.0836459909757 | etot = -8.37462303189731 +515000 ekin = 1.32825052581694 | erot = 2.38037057725958 | epot = -12.0832441354529 | etot = -8.37462303237642 +516000 ekin = 1.34045831429098 | erot = 2.33760267994488 | epot = -12.052684026695 | etot = -8.37462303245917 +517000 ekin = 1.34883924084267 | erot = 2.26713155444339 | epot = -11.9905938273649 | etot = -8.37462303207887 +518000 ekin = 1.35468550683747 | erot = 2.17326127006768 | epot = -11.9025698082027 | etot = -8.37462303129753 +519000 ekin = 1.36067339624092 | erot = 2.06494828515387 | epot = -11.8002447116851 | etot = -8.37462303029029 +520000 ekin = 1.37018582822474 | erot = 1.95390329836409 | epot = -11.6987121558686 | etot = -8.37462302927973 +521000 ekin = 1.38639579380205 | erot = 1.85221057841339 | epot = -11.6132294006773 | etot = -8.37462302846182 +522000 ekin = 1.41141432490464 | erot = 1.7702244553378 | epot = -11.5562618082023 | etot = -8.37462302795986 +523000 ekin = 1.44572356453295 | erot = 1.71520045870637 | epot = -11.5355470510576 | etot = -8.37462302781823 +524000 ekin = 1.48798145409594 | erot = 1.69073008317732 | epot = -11.5533345652898 | etot = -8.37462302801658 +525000 ekin = 1.53517683781547 | erot = 1.69680296063593 | epot = -11.6066028269467 | etot = -8.37462302849528 +526000 ekin = 1.58304900119082 | erot = 1.73025509475382 | epot = -11.6879271251201 | etot = -8.3746230291755 +527000 ekin = 1.62665879649241 | erot = 1.78540941264132 | epot = -11.7866912391065 | etot = -8.37462302997276 +528000 ekin = 1.66100783108725 | erot = 1.85480654803477 | epot = -11.8904374099227 | etot = -8.37462303080072 +529000 ekin = 1.68163863412719 | erot = 1.93001159413455 | epot = -11.9862732598304 | etot = -8.37462303156867 +530000 ekin = 1.68518623027201 | erot = 2.0025246086571 | epot = -12.0623338711111 | etot = -8.37462303218195 +531000 ekin = 1.66986059685696 | erot = 2.06478669655979 | epot = -12.1092703259673 | etot = -8.3746230325506 +532000 ekin = 1.63581226896246 | erot = 2.11116679184571 | epot = -12.1216020934203 | etot = -8.3746230326121 +533000 ekin = 1.58529617177826 | erot = 2.13870511838797 | epot = -12.0986243225201 | etot = -8.37462303235382 +534000 ekin = 1.52254564095677 | erot = 2.14737698822869 | epot = -12.0445456610105 | etot = -8.37462303182508 +535000 ekin = 1.4533242057691 | erot = 2.13977370493919 | epot = -11.9677209418325 | etot = -8.37462303112417 +536000 ekin = 1.384216910118 | erot = 2.12031314070409 | epot = -11.8791530811922 | etot = -8.37462303037013 +537000 ekin = 1.3218034289985 | erot = 2.09425520394393 | epot = -11.7906816626138 | etot = -8.37462302967138 +538000 ekin = 1.27187743420501 | erot = 2.06681107588913 | epot = -11.7133115391998 | etot = -8.37462302910564 +539000 ekin = 1.23883846279463 | erot = 2.04251647933624 | epot = -11.6559779708478 | etot = -8.3746230287169 +540000 ekin = 1.22531302703342 | erot = 2.02488499742721 | epot = -11.6248210529829 | etot = -8.37462302852225 +541000 ekin = 1.2319988229111 | erot = 2.01625749304557 | epot = -11.6228793444799 | etot = -8.37462302852322 +542000 ekin = 1.25769219451141 | erot = 2.01774880495074 | epot = -11.650064028173 | etot = -8.37462302871088 +543000 ekin = 1.29945731407194 | erot = 2.02924170402309 | epot = -11.7033220471621 | etot = -8.37462302906708 +544000 ekin = 1.35291512122203 | erot = 2.04944893326965 | epot = -11.7769870840475 | etot = -8.37462302955587 +545000 ekin = 1.41265384122183 | erot = 2.07611668223443 | epot = -11.8633935535745 | etot = -8.37462303011828 +546000 ekin = 1.47277167575229 | erot = 2.1064421688077 | epot = -11.95383687523 | etot = -8.37462303067005 +547000 ekin = 1.52754093319581 | erot = 2.13770468829022 | epot = -12.039868652601 | etot = -8.37462303111499 +548000 ekin = 1.57213155238907 | erot = 2.16798237176413 | epot = -12.1147369555225 | etot = -8.37462303136926 +549000 ekin = 1.60327488859484 | erot = 2.1967176749588 | epot = -12.1746155949418 | etot = -8.37462303138818 +550000 ekin = 1.619724343768 | erot = 2.22489244333393 | epot = -12.2192398182844 | etot = -8.37462303118247 +551000 ekin = 1.62240013870625 | erot = 2.2547059313599 | epot = -12.2517291008804 | etot = -8.37462303081428 +552000 ekin = 1.61417495562549 | erot = 2.28884205646996 | epot = -12.2776400424756 | etot = -8.37462303038012 +553000 ekin = 1.59932782091974 | erot = 2.32954987377656 | epot = -12.3035007246854 | etot = -8.37462302998911 +554000 ekin = 1.58274599066962 | erot = 2.37778817613127 | epot = -12.3351571965425 | etot = -8.37462302974158 +555000 ekin = 1.56899856385299 | erot = 2.43263226771681 | epot = -12.3762538612802 | etot = -8.37462302971037 +556000 ekin = 1.56145041157876 | erot = 2.49106505511529 | epot = -12.4271384966192 | etot = -8.37462302992514 +557000 ekin = 1.56197837218949 | erot = 2.54829507223443 | epot = -12.4848964746477 | etot = -8.37462303022382 +558000 ekin = 1.57029216551998 | erot = 2.59810209182206 | epot = -12.5430172882108 | etot = -8.37462303086871 +559000 ekin = 1.58339818321042 | erot = 2.63367391511295 | epot = -12.5916951298608 | etot = -8.37462303153745 +560000 ekin = 1.59712770481254 | erot = 2.64904697988439 | epot = -12.6207977168094 | etot = -8.37462303211248 +561000 ekin = 1.60698123343217 | erot = 2.64009683894273 | epot = -12.6217011048644 | etot = -8.37462303248948 +562000 ekin = 1.60896027782279 | erot = 2.60532700120585 | epot = -12.5889103116224 | etot = -8.37462303259375 +563000 ekin = 1.60023696633189 | erot = 2.54649193869391 | epot = -12.5213519373455 | etot = -8.37462303231966 +564000 ekin = 1.57955774677316 | erot = 2.46891092806073 | epot = -12.4230917066634 | etot = -8.37462303182948 +565000 ekin = 1.54734561566726 | erot = 2.38031455631918 | epot = -12.3022832030954 | etot = -8.37462303110898 +566000 ekin = 1.50554468554416 | erot = 2.29049479450049 | epot = -12.1706625102928 | etot = -8.37462303024818 +567000 ekin = 1.45732250665155 | erot = 2.21025028826054 | epot = -12.0421958242621 | etot = -8.37462302935005 +568000 ekin = 1.40671207380805 | erot = 2.15003703752962 | epot = -11.9313721398968 | etot = -8.37462302855915 +569000 ekin = 1.35794157949082 | erot = 2.11775595086775 | epot = -11.8503205583477 | etot = -8.37462302798917 +570000 ekin = 1.31523212119238 | erot = 2.11799693943009 | epot = -11.8078520883698 | etot = -8.37462302774737 +571000 ekin = 1.28243871604816 | erot = 2.15081941192899 | epot = -11.8078811559402 | etot = -8.37462302796308 +572000 ekin = 1.26220633019077 | erot = 2.21027034249799 | epot = -11.8470997013797 | etot = -8.37462302869095 +573000 ekin = 1.25525341534941 | erot = 2.28456705415308 | epot = -11.9144434992934 | etot = -8.37462302979094 +574000 ekin = 1.26030251433791 | erot = 2.3581378703613 | epot = -11.9930634156822 | etot = -8.37462303098301 +575000 ekin = 1.27473215622843 | erot = 2.41511328226784 | epot = -12.0644684704327 | etot = -8.37462303193643 +576000 ekin = 1.29562562245648 | erot = 2.44294920216499 | epot = -12.113197857112 | etot = -8.37462303249048 +577000 ekin = 1.32065634431855 | erot = 2.43438586780086 | epot = -12.1296652446962 | etot = -8.37462303257683 +578000 ekin = 1.34847271375233 | erot = 2.38804498568671 | epot = -12.1111407317143 | etot = -8.37462303227523 +579000 ekin = 1.37859640731264 | erot = 2.30759327889212 | epot = -12.0608127179336 | etot = -8.37462303172887 +580000 ekin = 1.41115339286314 | erot = 2.20016188412019 | epot = -11.9859383079388 | etot = -8.37462303095542 +581000 ekin = 1.44674776515146 | erot = 2.07475133368212 | epot = -11.8961221291757 | etot = -8.37462303034217 +582000 ekin = 1.4851482181042 | erot = 1.94050793884997 | epot = -11.8002791867466 | etot = -8.37462302979241 +583000 ekin = 1.52576266955557 | erot = 1.80603709651217 | epot = -11.7064227954081 | etot = -8.37462302934032 +584000 ekin = 1.56772288057535 | erot = 1.67887072897699 | epot = -11.6212166385569 | etot = -8.37462302900456 +585000 ekin = 1.60990333958961 | erot = 1.56509115871755 | epot = -11.5496175271043 | etot = -8.37462302879714 +586000 ekin = 1.65096359831956 | erot = 1.46905708282237 | epot = -11.494643709869 | etot = -8.37462302872704 +587000 ekin = 1.689404116345 | erot = 1.39319741551208 | epot = -11.4572245606542 | etot = -8.37462302879712 +588000 ekin = 1.72364170525864 | erot = 1.3379013744288 | epot = -11.4361661086844 | etot = -8.37462302899699 +589000 ekin = 1.75212209151102 | erot = 1.30158756259537 | epot = -11.4283326833828 | etot = -8.37462302927642 +590000 ekin = 1.77348776905869 | erot = 1.281119877253 | epot = -11.4292306759283 | etot = -8.37462302961656 +591000 ekin = 1.78679652583132 | erot = 1.27228388602327 | epot = -11.433703441769 | etot = -8.37462302991442 +592000 ekin = 1.79174476961286 | erot = 1.27074179819946 | epot = -11.4371095979204 | etot = -8.37462303010812 +593000 ekin = 1.78882244318549 | erot = 1.27295060805964 | epot = -11.4363960813905 | etot = -8.37462303014537 +594000 ekin = 1.77931578999136 | erot = 1.27682752829949 | epot = -11.430766348318 | etot = -8.37462303002713 +595000 ekin = 1.76511936071191 | erot = 1.28196044220573 | epot = -11.4217028327169 | etot = -8.37462302979925 +596000 ekin = 1.74839643258959 | erot = 1.28931412525866 | epot = -11.4123335873807 | etot = -8.3746230295325 +597000 ekin = 1.73114837529023 | erot = 1.30076368908084 | epot = -11.4065350936672 | etot = -8.37462302929611 +598000 ekin = 1.71482586357189 | erot = 1.31808503745165 | epot = -11.4075339301729 | etot = -8.37462302914938 +599000 ekin = 1.70035612855402 | erot = 1.34256499056094 | epot = -11.4175441481827 | etot = -8.37462302906774 +600000 ekin = 1.68813838896079 | erot = 1.37518403996459 | epot = -11.4379454579713 | etot = -8.37462302904587 +601000 ekin = 1.6780215527155 | erot = 1.41656361608045 | epot = -11.4692081979194 | etot = -8.37462302912342 +602000 ekin = 1.66952241262375 | erot = 1.46664302734669 | epot = -11.5107884691339 | etot = -8.37462302916344 +603000 ekin = 1.66207455080121 | erot = 1.52486246590722 | epot = -11.5615600460007 | etot = -8.37462302929223 +604000 ekin = 1.65429274424499 | erot = 1.59090716726355 | epot = -11.6198229409005 | etot = -8.37462302939192 +605000 ekin = 1.64513458460608 | erot = 1.66451963176825 | epot = -11.6842772458433 | etot = -8.374623029469 +606000 ekin = 1.63397297141755 | erot = 1.74533329764574 | epot = -11.7539292986231 | etot = -8.37462302955985 +607000 ekin = 1.62046446185742 | erot = 1.8324685241921 | epot = -11.827556015813 | etot = -8.37462302976344 +608000 ekin = 1.60415138615037 | erot = 1.92384516554938 | epot = -11.9026195817859 | etot = -8.37462303008618 +609000 ekin = 1.58416607277154 | erot = 2.01562004721412 | epot = -11.9744091506956 | etot = -8.37462303070992 +610000 ekin = 1.55892234884521 | erot = 2.10126039812687 | epot = -12.0348057783755 | etot = -8.37462303140342 +611000 ekin = 1.52586403282322 | erot = 2.17351542350433 | epot = -12.0740024883762 | etot = -8.37462303204869 +612000 ekin = 1.48252796781519 | erot = 2.22604744671554 | epot = -12.0831984469311 | etot = -8.37462303240035 +613000 ekin = 1.42777710477985 | erot = 2.25549715886549 | epot = -12.0578972959117 | etot = -8.3746230322664 +614000 ekin = 1.36284302676279 | erot = 2.26309761368271 | epot = -12.0005636720648 | etot = -8.3746230316193 +615000 ekin = 1.29166682111691 | erot = 2.25472033316591 | epot = -11.9210101848976 | etot = -8.37462303061475 +616000 ekin = 1.22033159945878 | erot = 2.23929049960089 | epot = -11.8342451285654 | etot = -8.37462302950574 +617000 ekin = 1.15585313013086 | erot = 2.22643765863405 | epot = -11.7569138172924 | etot = -8.37462302852749 +618000 ekin = 1.10482633868692 | erot = 2.22445549379561 | epot = -11.7039048603103 | etot = -8.37462302782772 +619000 ekin = 1.07233800595847 | erot = 2.23915844396541 | epot = -11.6861194773934 | etot = -8.37462302746957 +620000 ekin = 1.06133969548792 | erot = 2.27356598266192 | epot = -11.7095287055648 | etot = -8.37462302741493 +621000 ekin = 1.07250328126192 | erot = 2.32827640438336 | epot = -11.7754027132589 | etot = -8.37462302761364 +622000 ekin = 1.10448299244682 | erot = 2.40202886261783 | epot = -11.8811348830572 | etot = -8.37462302799258 +623000 ekin = 1.15443583440521 | erot = 2.49214268564202 | epot = -12.0212015485468 | etot = -8.37462302849954 +624000 ekin = 1.21858504498163 | erot = 2.59479979276395 | epot = -12.1880078668497 | etot = -8.37462302910413 +625000 ekin = 1.29260009292916 | erot = 2.70513041487836 | epot = -12.3723535376516 | etot = -8.37462302984411 +626000 ekin = 1.37166908701228 | erot = 2.81669294847794 | epot = -12.5629850662659 | etot = -8.37462303077572 +627000 ekin = 1.45036408325867 | erot = 2.92095656625948 | epot = -12.7459436814223 | etot = -8.37462303190418 +628000 ekin = 1.52265779658061 | erot = 3.00738157699388 | epot = -12.9046624066681 | etot = -8.37462303309358 +629000 ekin = 1.58251554245149 | erot = 3.06484099788355 | epot = -13.0219795743843 | etot = -8.37462303404925 +630000 ekin = 1.6251441888068 | erot = 3.08443014421886 | epot = -13.0841973674678 | etot = -8.3746230344421 +631000 ekin = 1.64954255051881 | erot = 3.06336922299652 | epot = -13.0875348072779 | etot = -8.37462303376256 +632000 ekin = 1.65761419154568 | erot = 3.00573585957066 | epot = -13.0379730840985 | etot = -8.37462303298212 +633000 ekin = 1.65174795094007 | erot = 2.9196523277595 | epot = -12.9460233106114 | etot = -8.37462303191187 +634000 ekin = 1.63566753658032 | erot = 2.8160465674089 | epot = -12.8263371348712 | etot = -8.37462303088198 +635000 ekin = 1.61303222684112 | erot = 2.70552755469896 | epot = -12.6931828116467 | etot = -8.37462303010658 +636000 ekin = 1.5864696555612 | erot = 2.59633719497732 | epot = -12.5574298801738 | etot = -8.37462302963529 +637000 ekin = 1.55730595136552 | erot = 2.49385627804114 | epot = -12.4257852588055 | etot = -8.37462302939879 +638000 ekin = 1.52584911625276 | erot = 2.40123459740375 | epot = -12.3017067429401 | etot = -8.37462302928359 +639000 ekin = 1.4919249764131 | erot = 2.32043250457075 | epot = -12.1869805101708 | etot = -8.37462302918699 +640000 ekin = 1.45541378442456 | erot = 2.25314232064305 | epot = -12.0831791341102 | etot = -8.37462302904262 +641000 ekin = 1.41664919926993 | erot = 2.20135144253836 | epot = -11.9926236706323 | etot = -8.37462302882401 +642000 ekin = 1.37663135857242 | erot = 2.16751840710241 | epot = -11.9187727942139 | etot = -8.37462302853903 +643000 ekin = 1.33719601643076 | erot = 2.15436138730409 | epot = -11.8661804319158 | etot = -8.37462302818095 +644000 ekin = 1.3009546006674 | erot = 2.16433354913885 | epot = -11.8399111777162 | etot = -8.37462302790992 +645000 ekin = 1.2700904774084 | erot = 2.19964354153203 | epot = -11.8443570466485 | etot = -8.37462302770811 +646000 ekin = 1.24673444984148 | erot = 2.26154821905495 | epot = -11.8829056965386 | etot = -8.3746230276422 +647000 ekin = 1.23265873216168 | erot = 2.34972644270308 | epot = -11.9570082026438 | etot = -8.37462302777908 +648000 ekin = 1.22854704148088 | erot = 2.46146984669606 | epot = -12.064639916852 | etot = -8.37462302867502 +649000 ekin = 1.23123438276377 | erot = 2.58918284110391 | epot = -12.1950402535071 | etot = -8.37462302963938 +650000 ekin = 1.23733747326785 | erot = 2.72274115030322 | epot = -12.3347016542778 | etot = -8.37462303070677 +651000 ekin = 1.24289918510996 | erot = 2.85114575375504 | epot = -12.4686679705932 | etot = -8.37462303172824 +652000 ekin = 1.24424620799518 | erot = 2.96370857039037 | epot = -12.5825778108493 | etot = -8.37462303246373 +653000 ekin = 1.23918232849171 | erot = 3.05217314602706 | epot = -12.6659785072772 | etot = -8.37462303275843 +654000 ekin = 1.22772861476395 | erot = 3.11212236728239 | epot = -12.7144740146656 | etot = -8.37462303261922 +655000 ekin = 1.21201905899384 | erot = 3.14303840851493 | epot = -12.7296804997022 | etot = -8.37462303219339 +656000 ekin = 1.19543744328548 | erot = 3.1472043556439 | epot = -12.7172648305994 | etot = -8.37462303166998 +657000 ekin = 1.18149305106241 | erot = 3.12826014301058 | epot = -12.6843762252575 | etot = -8.37462303118449 +658000 ekin = 1.17296379520039 | erot = 3.09016086421994 | epot = -12.6377476902088 | etot = -8.37462303078844 +659000 ekin = 1.1715475805743 | erot = 3.03675236921006 | epot = -12.582922980259 | etot = -8.37462303047464 +660000 ekin = 1.17794903027373 | erot = 2.9717237974431 | epot = -12.5242958579367 | etot = -8.37462303021987 +661000 ekin = 1.19217998580356 | erot = 2.89858436847931 | epot = -12.4653873842995 | etot = -8.37462303001659 +662000 ekin = 1.21385724617893 | erot = 2.82043608357553 | epot = -12.4089163596414 | etot = -8.37462302988693 +663000 ekin = 1.24235148672361 | erot = 2.73948706946421 | epot = -12.3564615860687 | etot = -8.37462302988084 +664000 ekin = 1.27672733537722 | erot = 2.65640555000017 | epot = -12.3077559154332 | etot = -8.3746230300558 +665000 ekin = 1.31551337032972 | erot = 2.56977925409673 | epot = -12.2599156548621 | etot = -8.37462303043569 +666000 ekin = 1.3564470832523 | erot = 2.4761038242715 | epot = -12.2071739384876 | etot = -8.37462303096385 +667000 ekin = 1.39640549571929 | erot = 2.37072397309753 | epot = -12.1417525003011 | etot = -8.37462303148432 +668000 ekin = 1.43167926156681 | erot = 2.24978389246185 | epot = -12.0560861858176 | etot = -8.37462303178894 +669000 ekin = 1.45855421041053 | erot = 2.11253877406444 | epot = -11.9457160161991 | etot = -8.37462303172417 +670000 ekin = 1.47395086468889 | erot = 1.96284004635376 | epot = -11.8114139423238 | etot = -8.37462303128116 +671000 ekin = 1.47583917683429 | erot = 1.80887360748459 | epot = -11.659335814911 | etot = -8.37462303059216 +672000 ekin = 1.46334042173463 | erot = 1.66127989926156 | epot = -11.4992433508344 | etot = -8.37462302983822 +673000 ekin = 1.43665130212215 | erot = 1.5307421039891 | epot = -11.3420164352618 | etot = -8.37462302915052 +674000 ekin = 1.3969614764095 | erot = 1.42619748860185 | epot = -11.1977819935876 | etot = -8.37462302857624 +675000 ekin = 1.34640262234059 | erot = 1.35413730294513 | epot = -11.0751629533923 | etot = -8.3746230281066 +676000 ekin = 1.28794616800078 | erot = 1.31873912036178 | epot = -10.9813083160849 | etot = -8.37462302772231 +677000 ekin = 1.22516961115208 | erot = 1.32230065786356 | epot = -10.9220932964383 | etot = -8.37462302742264 +678000 ekin = 1.16189722957944 | erot = 1.36556643966804 | epot = -10.9020866964777 | etot = -8.3746230272302 +679000 ekin = 1.10179124612511 | erot = 1.44777635008945 | epot = -10.924190623401 | etot = -8.37462302718647 +680000 ekin = 1.04797419611956 | erot = 1.56642353037385 | epot = -10.9890207538395 | etot = -8.37462302734611 +681000 ekin = 1.00272279863915 | erot = 1.71676662170497 | epot = -11.0941124481149 | etot = -8.37462302777081 +682000 ekin = 0.967238825853956 | erot = 1.89118238727181 | epot = -11.2330442416428 | etot = -8.37462302851702 +683000 ekin = 0.941511133158685 | erot = 2.07856636781358 | epot = -11.3947005305716 | etot = -8.37462302959932 +684000 ekin = 0.924337639171898 | erot = 2.26421473260418 | epot = -11.5631754027131 | etot = -8.37462303093706 +685000 ekin = 0.913629093907857 | erot = 2.4308049018799 | epot = -11.7190570280991 | etot = -8.37462303231132 +686000 ekin = 0.907072709287811 | erot = 2.56090643971852 | epot = -11.8426021824031 | etot = -8.37462303339673 +687000 ekin = 0.903027971000835 | erot = 2.6406532391868 | epot = -11.9183042440807 | etot = -8.37462303389309 +688000 ekin = 0.90126599734657 | erot = 2.6631528356685 | epot = -11.9390418667022 | etot = -8.37462303368708 +689000 ekin = 0.903127291409964 | erot = 2.62989920641364 | epot = -11.9076495307356 | etot = -8.374623032912 +690000 ekin = 0.911003410961955 | erot = 2.54949432632515 | epot = -11.8351207691396 | etot = -8.37462303185251 +691000 ekin = 0.927482290198902 | erot = 2.43458909333302 | epot = -11.7366944143163 | etot = -8.3746230307844 +692000 ekin = 0.954629968085803 | erot = 2.29871133595714 | epot = -11.6279643338902 | etot = -8.37462302984724 +693000 ekin = 0.993689842548928 | erot = 2.15457291081592 | epot = -11.5228857825806 | etot = -8.37462302921573 +694000 ekin = 1.04477766676298 | erot = 2.01224824489283 | epot = -11.4316489404341 | etot = -8.37462302877829 +695000 ekin = 1.10717972560152 | erot = 1.87902519875999 | epot = -11.3608279528691 | etot = -8.37462302850759 +696000 ekin = 1.17962988094267 | erot = 1.76021636431907 | epot = -11.3144692736454 | etot = -8.37462302838365 +697000 ekin = 1.26034508066981 | erot = 1.65939331949942 | epot = -11.2943614285657 | etot = -8.3746230283965 +698000 ekin = 1.34700634148022 | erot = 1.57856058320643 | epot = -11.3001899532267 | etot = -8.37462302854003 +699000 ekin = 1.43673776972376 | erot = 1.5182938888681 | epot = -11.3296546873967 | etot = -8.37462302880481 +700000 ekin = 1.52614311404677 | erot = 1.47788597100086 | epot = -11.3786521142183 | etot = -8.37462302917067 +701000 ekin = 1.61113170993768 | erot = 1.45542937143776 | epot = -11.4411841111661 | etot = -8.37462302979068 +702000 ekin = 1.68654811959775 | erot = 1.44774835139905 | epot = -11.5089195013108 | etot = -8.37462303031401 +703000 ekin = 1.74804176728588 | erot = 1.45137774866611 | epot = -11.574042546703 | etot = -8.37462303075104 +704000 ekin = 1.79223863051445 | erot = 1.46326677106997 | epot = -11.6301284325956 | etot = -8.37462303101117 +705000 ekin = 1.81722742450332 | erot = 1.48152907261607 | epot = -11.6733795281554 | etot = -8.37462303103604 +706000 ekin = 1.82282717411182 | erot = 1.50598222608154 | epot = -11.703432431022 | etot = -8.3746230308286 +707000 ekin = 1.81047570465579 | erot = 1.53820736290559 | epot = -11.7233060980165 | etot = -8.37462303045516 +708000 ekin = 1.78276828495014 | erot = 1.58105495038929 | epot = -11.738446265359 | etot = -8.3746230300196 +709000 ekin = 1.74282721670583 | erot = 1.63779752304863 | epot = -11.7552477693728 | etot = -8.37462302961834 +710000 ekin = 1.69374790022126 | erot = 1.71129566720286 | epot = -11.7796665967301 | etot = -8.37462302930597 +711000 ekin = 1.6383019339965 | erot = 1.80347448195222 | epot = -11.8163994450386 | etot = -8.37462302908989 +712000 ekin = 1.57892460631464 | erot = 1.91516553832625 | epot = -11.8687131735937 | etot = -8.37462302895278 +713000 ekin = 1.51786752130083 | erot = 2.04613993382096 | epot = -11.9386304840051 | etot = -8.37462302888328 +714000 ekin = 1.45734042325253 | erot = 2.1950944154761 | epot = -12.0270578676235 | etot = -8.37462302889484 +715000 ekin = 1.39951776248721 | erot = 2.35946536295161 | epot = -12.1336061544601 | etot = -8.3746230290213 +716000 ekin = 1.34639246829342 | erot = 2.53511986598189 | epot = -12.2561353635766 | etot = -8.37462302930131 +717000 ekin = 1.29955432270216 | erot = 2.71613012099189 | epot = -12.3903074734231 | etot = -8.3746230297291 +718000 ekin = 1.25989829927652 | erot = 2.89465680806849 | epot = -12.5291781377287 | etot = -8.37462303038367 +719000 ekin = 1.22750607430026 | erot = 3.06092665842397 | epot = -12.6630557638747 | etot = -8.37462303115044 +720000 ekin = 1.20188187066614 | erot = 3.20425006665573 | epot = -12.7807549692619 | etot = -8.37462303194004 +721000 ekin = 1.18220717983373 | erot = 3.3141488243266 | epot = -12.8709790367784 | etot = -8.3746230326181 +722000 ekin = 1.16774608427136 | erot = 3.38185582435497 | epot = -12.9242249417156 | etot = -8.37462303308926 +723000 ekin = 1.15807318397659 | erot = 3.40183188750264 | epot = -12.9345281046214 | etot = -8.37462303314213 +724000 ekin = 1.15381445068157 | erot = 3.37321067522537 | epot = -12.901648158662 | etot = -8.3746230327551 +725000 ekin = 1.15678266077584 | erot = 3.30036671004652 | epot = -12.8317724028189 | etot = -8.37462303199649 +726000 ekin = 1.1696197829831 | erot = 3.19222682083512 | epot = -12.7364696348452 | etot = -8.37462303102701 +727000 ekin = 1.19513165181162 | erot = 3.06063268781758 | epot = -12.6303873696662 | etot = -8.37462303003699 +728000 ekin = 1.23552066624092 | erot = 2.91835949413033 | epot = -12.5285031895567 | etot = -8.37462302918541 +729000 ekin = 1.29175272908879 | erot = 2.77740116858521 | epot = -12.4437769262438 | etot = -8.37462302856975 +730000 ekin = 1.3631967532209 | erot = 2.6478473435432 | epot = -12.3856671249871 | etot = -8.37462302822298 +731000 ekin = 1.44757535461241 | erot = 2.53736869400872 | epot = -12.3595670767507 | etot = -8.37462302812953 +732000 ekin = 1.54119076309627 | erot = 2.4511484979359 | epot = -12.3669622892787 | etot = -8.37462302824654 +733000 ekin = 1.63933166939861 | erot = 2.39205275840952 | epot = -12.406007456334 | etot = -8.37462302852592 +734000 ekin = 1.73673684349519 | erot = 2.3608723595031 | epot = -12.4722322319241 | etot = -8.37462302892585 +735000 ekin = 1.82801503458218 | erot = 2.356559637263 | epot = -12.5591977012566 | etot = -8.37462302941146 +736000 ekin = 1.90799093495898 | erot = 2.37647912513455 | epot = -12.6590930900387 | etot = -8.37462302994521 +737000 ekin = 1.97201607373641 | erot = 2.41675065087087 | epot = -12.7633897550831 | etot = -8.37462303047585 +738000 ekin = 2.01630111185462 | erot = 2.47274745432439 | epot = -12.8636715971181 | etot = -8.37462303093912 +739000 ekin = 2.03827941486831 | erot = 2.53972508206532 | epot = -12.952627528204 | etot = -8.37462303127039 +740000 ekin = 2.03693425612647 | erot = 2.61344505993508 | epot = -13.0250023474894 | etot = -8.37462303142788 +741000 ekin = 2.01297029115182 | erot = 2.69059268985891 | epot = -13.0781860124231 | etot = -8.37462303141239 +742000 ekin = 1.96872639114995 | erot = 2.7688256630284 | epot = -13.1121750854499 | etot = -8.37462303127155 +743000 ekin = 1.90780895371371 | erot = 2.84642411506738 | epot = -13.1288560998655 | etot = -8.37462303108443 +744000 ekin = 1.83452633952077 | erot = 2.92167512844567 | epot = -13.1308244989022 | etot = -8.37462303093574 +745000 ekin = 1.75327142724935 | erot = 2.99223326161803 | epot = -13.1201277197547 | etot = -8.3746230308873 +746000 ekin = 1.66800377362325 | erot = 3.05470990305885 | epot = -13.0973367076415 | etot = -8.37462303095935 +747000 ekin = 1.58193446041842 | erot = 3.10466510764481 | epot = -13.061222599179 | etot = -8.37462303111576 +748000 ekin = 1.49744243756514 | erot = 3.13708170332859 | epot = -13.0091471722146 | etot = -8.37462303132086 +749000 ekin = 1.4161800860191 | erot = 3.14699639332258 | epot = -12.9377995108339 | etot = -8.37462303149226 +750000 ekin = 1.33927892445981 | erot = 3.1303195534607 | epot = -12.8442215094952 | etot = -8.37462303157471 +751000 ekin = 1.26755716712031 | erot = 3.08449081841388 | epot = -12.7266710170761 | etot = -8.37462303154187 +752000 ekin = 1.20166403421531 | erot = 3.00876367724594 | epot = -12.5850507428583 | etot = -8.37462303139709 +753000 ekin = 1.14214671459707 | erot = 2.90415589317233 | epot = -12.4209256389297 | etot = -8.37462303116025 +754000 ekin = 1.08946987137415 | erot = 2.77319742895129 | epot = -12.2372903311776 | etot = -8.37462303085218 +755000 ekin = 1.04403390693365 | erot = 2.61963797727954 | epot = -12.0382949146995 | etot = -8.37462303048628 +756000 ekin = 1.00622473318939 | erot = 2.44820898509878 | epot = -11.8290567483568 | etot = -8.37462303006868 +757000 ekin = 0.976498427349965 | erot = 2.26449263382439 | epot = -11.6156140907484 | etot = -8.37462302957404 +758000 ekin = 0.955485081991406 | erot = 2.07490082913166 | epot = -11.4050089401822 | etot = -8.37462302905912 +759000 ekin = 0.943970421440628 | erot = 1.88597944059249 | epot = -11.2045728906025 | etot = -8.37462302856939 +760000 ekin = 0.942943189126763 | erot = 1.70391676484818 | epot = -11.0214829820775 | etot = -8.3746230281026 +761000 ekin = 0.953636819964326 | erot = 1.53434362883594 | epot = -10.8626034764889 | etot = -8.37462302768861 +762000 ekin = 0.9774394637126 | erot = 1.3819779354708 | epot = -10.7340404265357 | etot = -8.37462302735234 +763000 ekin = 1.01575214957204 | erot = 1.25038414093908 | epot = -10.6407593176234 | etot = -8.37462302711231 +764000 ekin = 1.06980632715056 | erot = 1.14186552721051 | epot = -10.5862948813426 | etot = -8.37462302698152 +765000 ekin = 1.14045321590795 | erot = 1.05746802222152 | epot = -10.5725442650988 | etot = -8.37462302696934 +766000 ekin = 1.22794009365067 | erot = 0.997057737110214 | epot = -10.5996208578434 | etot = -8.37462302708247 +767000 ekin = 1.33169356854964 | erot = 0.959438204818728 | epot = -10.6657548006927 | etot = -8.37462302732435 +768000 ekin = 1.4501370758167 | erot = 0.942489485935825 | epot = -10.7672495894454 | etot = -8.37462302769287 +769000 ekin = 1.58057826605241 | erot = 0.943330765762085 | epot = -10.898532059991 | etot = -8.37462302817651 +770000 ekin = 1.71920830316327 | erot = 0.958522817509944 | epot = -11.052354149423 | etot = -8.37462302874977 +771000 ekin = 1.86125297319058 | erot = 0.984329269146892 | epot = -11.2202052717077 | etot = -8.37462302937024 +772000 ekin = 2.00111996073798 | erot = 1.01706547585179 | epot = -11.3928084666678 | etot = -8.37462303007807 +773000 ekin = 2.13179679392768 | erot = 1.05343215414926 | epot = -11.5598519787697 | etot = -8.3746230306928 +774000 ekin = 2.24724323873895 | erot = 1.09038833142141 | epot = -11.7122546013489 | etot = -8.37462303118857 +775000 ekin = 2.3426359374738 | erot = 1.12564496608179 | epot = -11.8429039350775 | etot = -8.37462303152187 +776000 ekin = 2.41469510966563 | erot = 1.15782091196134 | epot = -11.9471390533043 | etot = -8.37462303167731 +777000 ekin = 2.46195564508681 | erot = 1.1863859033051 | epot = -12.022964580064 | etot = -8.37462303167205 +778000 ekin = 2.48471522536309 | erot = 1.21145891744878 | epot = -12.0707971743639 | etot = -8.37462303155203 +779000 ekin = 2.48466047806976 | erot = 1.23352809684396 | epot = -12.092811606291 | etot = -8.37462303137732 +780000 ekin = 2.46428568677078 | erot = 1.25319615838965 | epot = -12.0921048763578 | etot = -8.37462303119734 +781000 ekin = 2.42632307022413 | erot = 1.27107093313049 | epot = -12.0720170343822 | etot = -8.37462303102754 +782000 ekin = 2.37341747179021 | erot = 1.28787882377792 | epot = -12.0359193264101 | etot = -8.37462303084194 +783000 ekin = 2.30815170371668 | erot = 1.30476531775826 | epot = -11.9875400520692 | etot = -8.37462303059425 +784000 ekin = 2.23331824904064 | erot = 1.32360971124727 | epot = -11.9315509905407 | etot = -8.37462303025285 +785000 ekin = 2.15217666716612 | erot = 1.34711489735354 | epot = -11.8739145943546 | etot = -8.37462302983493 +786000 ekin = 2.06843940785569 | erot = 1.37850506799254 | epot = -11.8215675052575 | etot = -8.37462302940932 +787000 ekin = 1.9858834200417 | erot = 1.42085370631113 | epot = -11.7813601554289 | etot = -8.37462302907609 +788000 ekin = 1.90769396723605 | erot = 1.47626814207218 | epot = -11.7585851382313 | etot = -8.37462302892309 +789000 ekin = 1.83580155857396 | erot = 1.54525606071467 | epot = -11.7556806482778 | etot = -8.3746230289892 +790000 ekin = 1.77050160314611 | erot = 1.62653131912008 | epot = -11.7716559515141 | etot = -8.37462302924791 +791000 ekin = 1.71053482189894 | erot = 1.717315369065 | epot = -11.8024732205846 | etot = -8.37462302962068 +792000 ekin = 1.65360852454738 | erot = 1.81397519201809 | epot = -11.8422067465761 | etot = -8.37462303001059 +793000 ekin = 1.59715988493495 | erot = 1.91273671404254 | epot = -11.8845196293118 | etot = -8.37462303033427 +794000 ekin = 1.53909469766365 | erot = 2.01023412206039 | epot = -11.9239518502785 | etot = -8.37462303055444 +795000 ekin = 1.47829524949757 | erot = 2.103829410215 | epot = -11.9567476903381 | etot = -8.37462303062554 +796000 ekin = 1.41481662089641 | erot = 2.19194291994355 | epot = -11.9813825714076 | etot = -8.37462303056767 +797000 ekin = 1.3498130824975 | erot = 2.27401207106169 | epot = -11.9984481839612 | etot = -8.37462303040201 +798000 ekin = 1.28529636430788 | erot = 2.35042093010669 | epot = -12.010340324573 | etot = -8.37462303015844 +799000 ekin = 1.22381948474078 | erot = 2.42233570221871 | epot = -12.0207782168134 | etot = -8.37462302985392 +800000 ekin = 1.16822785386461 | erot = 2.4914343853454 | epot = -12.0342852688245 | etot = -8.37462302961449 +801000 ekin = 1.12099278642821 | erot = 2.55928816630625 | epot = -12.0549039821744 | etot = -8.37462302943995 +802000 ekin = 1.08396505814352 | erot = 2.62689447863089 | epot = -12.0854825661053 | etot = -8.37462302933093 +803000 ekin = 1.0584163696009 | erot = 2.69442631110622 | epot = -12.1274657101663 | etot = -8.37462302945918 +804000 ekin = 1.04426779801393 | erot = 2.76024770981027 | epot = -12.1791385376415 | etot = -8.37462302981732 +805000 ekin = 1.03995925233861 | erot = 2.820462542343 | epot = -12.2350448251542 | etot = -8.3746230304726 +806000 ekin = 1.04249639914768 | erot = 2.86897163061644 | epot = -12.286091060981 | etot = -8.37462303121685 +807000 ekin = 1.04816653315824 | erot = 2.8985035139628 | epot = -12.3212930790687 | etot = -8.37462303194768 +808000 ekin = 1.05329972431633 | erot = 2.90189493045883 | epot = -12.3298176872637 | etot = -8.37462303248858 +809000 ekin = 1.0551100311715 | erot = 2.87378175152242 | epot = -12.3035148153869 | etot = -8.37462303269303 +810000 ekin = 1.05231348649716 | erot = 2.81208782293683 | epot = -12.2390243420022 | etot = -8.37462303256824 +811000 ekin = 1.04519713626945 | erot = 2.7185412275192 | epot = -12.1383613957983 | etot = -8.37462303200969 +812000 ekin = 1.03556509620936 | erot = 2.59875418167731 | epot = -12.0089423091028 | etot = -8.37462303121614 +813000 ekin = 1.0261737080691 | erot = 2.46123250524489 | epot = -11.8620292436587 | etot = -8.37462303034468 +814000 ekin = 1.0199349938987 | erot = 2.31562695725955 | epot = -11.7101849806875 | etot = -8.37462302952927 +815000 ekin = 1.01938989930425 | erot = 2.17131439138523 | epot = -11.565327319542 | etot = -8.37462302885251 +816000 ekin = 1.02641070194428 | erot = 2.0364324772937 | epot = -11.437466207585 | etot = -8.37462302834705 +817000 ekin = 1.04210163741074 | erot = 1.91741411147782 | epot = -11.3341387769021 | etot = -8.37462302801356 +818000 ekin = 1.06685452879948 | erot = 1.81892194068062 | epot = -11.2603994972665 | etot = -8.37462302778642 +819000 ekin = 1.10044073145771 | erot = 1.74396570048653 | epot = -11.2190294597264 | etot = -8.37462302778212 +820000 ekin = 1.14169134058308 | erot = 1.69367065616412 | epot = -11.2099850246654 | etot = -8.37462302791824 +821000 ekin = 1.18877552115635 | erot = 1.66758281677157 | epot = -11.2309813661153 | etot = -8.3746230281874 +822000 ekin = 1.23927394202738 | erot = 1.66378494635111 | epot = -11.2776819169556 | etot = -8.37462302857712 +823000 ekin = 1.29027861043491 | erot = 1.67905219550407 | epot = -11.3439538348882 | etot = -8.37462302894924 +824000 ekin = 1.33894050069103 | erot = 1.70948347746263 | epot = -11.4230470076179 | etot = -8.37462302946421 +825000 ekin = 1.38220508272949 | erot = 1.7504425333049 | epot = -11.5072706460105 | etot = -8.37462302997613 +826000 ekin = 1.41710294910005 | erot = 1.79708475166576 | epot = -11.588810731177 | etot = -8.37462303041121 +827000 ekin = 1.44127249564728 | erot = 1.84518129446393 | epot = -11.66107682081 | etot = -8.37462303069882 +828000 ekin = 1.45335409116131 | erot = 1.89178230950048 | epot = -11.7197594314505 | etot = -8.37462303078868 +829000 ekin = 1.45330184509051 | erot = 1.93565038630986 | epot = -11.7635752620665 | etot = -8.37462303066615 +830000 ekin = 1.4425358875311 | erot = 1.9773267325415 | epot = -11.7944856504307 | etot = -8.3746230303581 +831000 ekin = 1.42321719807346 | erot = 2.01836652049591 | epot = -11.8162067486375 | etot = -8.37462303006811 +832000 ekin = 1.39798324786963 | erot = 2.06093497421873 | epot = -11.8335412516727 | etot = -8.37462302958432 +833000 ekin = 1.37122558103505 | erot = 2.10801499212763 | epot = -11.8538636023288 | etot = -8.37462302916612 +834000 ekin = 1.34739157346096 | erot = 2.16168408583467 | epot = -11.8836986881931 | etot = -8.37462302889746 +835000 ekin = 1.33033159138483 | erot = 2.22243990039529 | epot = -11.9273945206114 | etot = -8.37462302883124 +836000 ekin = 1.32279692350228 | erot = 2.28888168436561 | epot = -11.9863016368487 | etot = -8.37462302898085 +837000 ekin = 1.32614569946022 | erot = 2.35776552714737 | epot = -12.0585342559267 | etot = -8.37462302931913 +838000 ekin = 1.3403008431359 | erot = 2.42442328377117 | epot = -12.1393471566882 | etot = -8.37462302978115 +839000 ekin = 1.3639577057291 | erot = 2.48350186340837 | epot = -12.2220825994109 | etot = -8.37462303027338 +840000 ekin = 1.39499323416822 | erot = 2.52993036126689 | epot = -12.2995466261263 | etot = -8.37462303069118 +841000 ekin = 1.43098519524823 | erot = 2.55993796917592 | epot = -12.3655461953706 | etot = -8.37462303094641 +842000 ekin = 1.4697160397417 | erot = 2.57185321601787 | epot = -12.416192286756 | etot = -8.37462303099641 +843000 ekin = 1.50953312203678 | erot = 2.56639824287505 | epot = -12.4505543957724 | etot = -8.37462303086053 +844000 ekin = 1.5494822275751 | erot = 2.54631968024221 | epot = -12.4704249384311 | etot = -8.3746230306138 +845000 ekin = 1.58921446589507 | erot = 2.51544731878856 | epot = -12.4792848150415 | etot = -8.3746230303579 +846000 ekin = 1.62874660073367 | erot = 2.47751369443054 | epot = -12.4808833253451 | etot = -8.37462303018089 +847000 ekin = 1.66818957254906 | erot = 2.43516936578216 | epot = -12.4779819684582 | etot = -8.37462303012693 +848000 ekin = 1.70754173431461 | erot = 2.38953851004836 | epot = -12.4717032745481 | etot = -8.37462303018513 +849000 ekin = 1.74659403306467 | erot = 2.34043091651226 | epot = -12.4616479798778 | etot = -8.37462303030089 +850000 ekin = 1.78494345866239 | erot = 2.28706007037795 | epot = -12.4466265594442 | etot = -8.37462303040389 +851000 ekin = 1.82207688727501 | erot = 2.22891420063281 | epot = -12.425614118349 | etot = -8.37462303044114 +852000 ekin = 1.85747606626799 | erot = 2.16637383866296 | epot = -12.398472935331 | etot = -8.37462303040009 +853000 ekin = 1.89070501215685 | erot = 2.10080168938735 | epot = -12.366129731854 | etot = -8.37462303030978 +854000 ekin = 1.9214659857968 | erot = 2.03409194238599 | epot = -12.330180958406 | etot = -8.37462303022316 +855000 ekin = 1.94963553788746 | erot = 1.96792069995055 | epot = -12.2921792680263 | etot = -8.37462303018833 +856000 ekin = 1.97530408452615 | erot = 1.90306034569468 | epot = -12.2529874604462 | etot = -8.37462303022541 +857000 ekin = 1.99898235174409 | erot = 1.83954776716887 | epot = -12.2131531489759 | etot = -8.3746230300629 +858000 ekin = 2.021489668939 | erot = 1.77712472342471 | epot = -12.1732374225848 | etot = -8.37462303022108 +859000 ekin = 2.04332984814827 | erot = 1.71372610059514 | epot = -12.1316789790801 | etot = -8.37462303033664 +860000 ekin = 2.06530510863647 | erot = 1.64761266617994 | epot = -12.0875408051668 | etot = -8.37462303035041 +861000 ekin = 2.08844047523226 | erot = 1.57839130430651 | epot = -12.0414548097765 | etot = -8.37462303023775 +862000 ekin = 2.11372996877535 | erot = 1.50759861505441 | epot = -11.995951613855 | etot = -8.37462303002523 +863000 ekin = 2.14175193680092 | erot = 1.43866072802287 | epot = -11.9550356946146 | etot = -8.37462302979079 +864000 ekin = 2.17225364144349 | erot = 1.37614575517537 | epot = -11.9230224262557 | etot = -8.37462302963687 +865000 ekin = 2.20389689305164 | erot = 1.32450432847655 | epot = -11.9030242511673 | etot = -8.37462302963908 +866000 ekin = 2.23438769161315 | erot = 1.28681328070723 | epot = -11.8958240017944 | etot = -8.37462302947399 +867000 ekin = 2.26151301831573 | erot = 1.26501341500445 | epot = -11.9011494630794 | etot = -8.37462302975918 +868000 ekin = 2.28295312633917 | erot = 1.2587638567001 | epot = -11.9163400130163 | etot = -8.37462302997703 +869000 ekin = 2.2971313908785 | erot = 1.26636363803473 | epot = -11.9381180589604 | etot = -8.37462303004718 +870000 ekin = 2.30388454565948 | erot = 1.28638972777041 | epot = -11.9648973034185 | etot = -8.37462302998857 +871000 ekin = 2.30409365411964 | erot = 1.31787621263464 | epot = -11.9965928971127 | etot = -8.37462303035837 +872000 ekin = 2.29712455306151 | erot = 1.35930276714402 | epot = -12.0310503505619 | etot = -8.37462303035639 +873000 ekin = 2.2827453931599 | erot = 1.40846954678789 | epot = -12.065837970059 | etot = -8.37462303011121 +874000 ekin = 2.26320703627333 | erot = 1.46277950106371 | epot = -12.1006095675609 | etot = -8.3746230302239 +875000 ekin = 2.2400163472838 | erot = 1.51889022328766 | epot = -12.1335296008637 | etot = -8.37462303029222 +876000 ekin = 2.21430830466978 | erot = 1.57348199615719 | epot = -12.1624133311073 | etot = -8.37462303028036 +877000 ekin = 2.18777848573709 | erot = 1.62389020161555 | epot = -12.1862917175042 | etot = -8.3746230301516 +878000 ekin = 2.16252897547841 | erot = 1.66838793091172 | epot = -12.2055399364486 | etot = -8.37462303005844 +879000 ekin = 2.14044753721882 | erot = 1.70571411560968 | epot = -12.2207846828247 | etot = -8.37462302999622 +880000 ekin = 2.12277471002682 | erot = 1.73469967122049 | epot = -12.2320974112761 | etot = -8.37462303002882 +881000 ekin = 2.10977467359972 | erot = 1.75399371449064 | epot = -12.2383914182785 | etot = -8.37462303018811 +882000 ekin = 2.10050164322213 | erot = 1.7618701927401 | epot = -12.2369948664112 | etot = -8.37462303044894 +883000 ekin = 2.0929086771248 | erot = 1.75649694685427 | epot = -12.2240286546981 | etot = -8.37462303071903 +884000 ekin = 2.0843370364501 | erot = 1.7367150045659 | epot = -12.1956750719275 | etot = -8.37462303091147 +885000 ekin = 2.0720290157253 | erot = 1.70282592067542 | epot = -12.1494779673605 | etot = -8.37462303095973 +886000 ekin = 2.05378411491253 | erot = 1.65660476471949 | epot = -12.085011910269 | etot = -8.374623030637 +887000 ekin = 2.02874297420615 | erot = 1.60297409541309 | epot = -12.0063400996919 | etot = -8.37462303007265 +888000 ekin = 1.99720256582679 | erot = 1.54912086824386 | epot = -11.9209464635316 | etot = -8.3746230294609 +889000 ekin = 1.95913963735338 | erot = 1.50198702368973 | epot = -11.8357496899689 | etot = -8.37462302892583 +890000 ekin = 1.91617614841582 | erot = 1.46746689325636 | epot = -11.75826607021 | etot = -8.37462302853783 +891000 ekin = 1.87023137415679 | erot = 1.44931992810141 | epot = -11.694174330585 | etot = -8.37462302832684 +892000 ekin = 1.82316218734301 | erot = 1.44889048228522 | epot = -11.6466756979017 | etot = -8.37462302827347 +893000 ekin = 1.77672781685204 | erot = 1.46538080245969 | epot = -11.6167316476425 | etot = -8.3746230283308 +894000 ekin = 1.73267401007656 | erot = 1.49642015526123 | epot = -11.603717193777 | etot = -8.37462302843919 +895000 ekin = 1.69287615444159 | erot = 1.53876375542575 | epot = -11.6062629384076 | etot = -8.37462302854029 +896000 ekin = 1.6594652881061 | erot = 1.58897281258496 | epot = -11.6230611292876 | etot = -8.37462302859657 +897000 ekin = 1.63484229162877 | erot = 1.64389812681594 | epot = -11.6533634470428 | etot = -8.37462302859813 +898000 ekin = 1.62150447331787 | erot = 1.70104293751506 | epot = -11.6971704394058 | etot = -8.37462302857288 +899000 ekin = 1.62168394146005 | erot = 1.75850368945989 | epot = -11.754810659492 | etot = -8.37462302857205 +900000 ekin = 1.63689346404005 | erot = 1.81470313447866 | epot = -11.8262196271634 | etot = -8.37462302864474 +901000 ekin = 1.66753387742474 | erot = 1.86808611524118 | epot = -11.9102430214842 | etot = -8.37462302881828 +902000 ekin = 1.71269692237879 | erot = 1.91693084841925 | epot = -12.0042507998865 | etot = -8.37462302908844 +903000 ekin = 1.77021838508038 | erot = 1.95934050990336 | epot = -12.1041819244126 | etot = -8.37462302942886 +904000 ekin = 1.83694819296334 | erot = 1.99341312084054 | epot = -12.2049843435877 | etot = -8.37462302978381 +905000 ekin = 1.90914641653746 | erot = 2.0175452764756 | epot = -12.301314723126 | etot = -8.37462303011296 +906000 ekin = 1.98289589688105 | erot = 2.03065122058404 | epot = -12.3881701478506 | etot = -8.37462303038552 +907000 ekin = 2.05443877923752 | erot = 2.03228127523247 | epot = -12.4613430850605 | etot = -8.37462303059052 +908000 ekin = 2.12038320005706 | erot = 2.02259637574775 | epot = -12.5176026065384 | etot = -8.37462303073356 +909000 ekin = 2.17777472065196 | erot = 2.00223868776754 | epot = -12.5546364392486 | etot = -8.37462303082908 +910000 ekin = 2.22407231387502 | erot = 1.97218459089689 | epot = -12.5708799356595 | etot = -8.37462303088757 +911000 ekin = 2.2570988123033 | erot = 1.93367043925279 | epot = -12.565392282463 | etot = -8.37462303090695 +912000 ekin = 2.27504055965447 | erot = 1.88824345124255 | epot = -12.5379070417669 | etot = -8.37462303086985 +913000 ekin = 2.27654326616373 | erot = 1.83792322947823 | epot = -12.4890895263923 | etot = -8.37462303075033 +914000 ekin = 2.26395838706936 | erot = 1.78540897804491 | epot = -12.4239903947897 | etot = -8.37462302967546 +915000 ekin = 2.24045468911864 | erot = 1.7337281006883 | epot = -12.3488058193252 | etot = -8.37462302951822 +916000 ekin = 2.20520370201831 | erot = 1.68615105197114 | epot = -12.2659777833028 | etot = -8.37462302931332 +917000 ekin = 2.15800582905993 | erot = 1.64606783756472 | epot = -12.1786966957294 | etot = -8.37462302910471 +918000 ekin = 2.09921834411119 | erot = 1.61647797760392 | epot = -12.0903193506463 | etot = -8.37462302893123 +919000 ekin = 2.02966476142347 | erot = 1.59954949780366 | epot = -12.0038372880325 | etot = -8.37462302880535 +920000 ekin = 1.95065755949099 | erot = 1.59642144855954 | epot = -11.9217020368486 | etot = -8.37462302879802 +921000 ekin = 1.86366200650715 | erot = 1.6075086608029 | epot = -11.8457936959431 | etot = -8.37462302863303 +922000 ekin = 1.77152243885063 | erot = 1.63263587421854 | epot = -11.7787813414971 | etot = -8.37462302842796 +923000 ekin = 1.67869484032847 | erot = 1.67111175334959 | epot = -11.7244296218669 | etot = -8.3746230281888 +924000 ekin = 1.59024537021156 | erot = 1.72202288865011 | epot = -11.6868912868262 | etot = -8.37462302796453 +925000 ekin = 1.5112393703698 | erot = 1.78411652411382 | epot = -11.6699789223096 | etot = -8.37462302782603 +926000 ekin = 1.44599317764753 | erot = 1.85554834407746 | epot = -11.6761645495494 | etot = -8.37462302782441 +927000 ekin = 1.39752558601309 | erot = 1.93370661236091 | epot = -11.705855226336 | etot = -8.37462302796202 +928000 ekin = 1.36763823809792 | erot = 2.01538770681432 | epot = -11.7576489728028 | etot = -8.37462302789054 +929000 ekin = 1.36100399984171 | erot = 2.09737818238835 | epot = -11.8330052106967 | etot = -8.3746230284666 +930000 ekin = 1.35523134970901 | erot = 2.17722433884352 | epot = -11.9070787109409 | etot = -8.37462302238835 +931000 ekin = 1.39431469298964 | erot = 2.2543562043887 | epot = -12.0232939189524 | etot = -8.37462302157402 +932000 ekin = 1.49280866704539 | erot = 2.31847930194453 | epot = -12.1859109889642 | etot = -8.37462301997426 +933000 ekin = 1.58533340946056 | erot = 2.36490000058681 | epot = -12.3248564302729 | etot = -8.37462302022553 +934000 ekin = 1.68690712098002 | erot = 2.39298221169384 | epot = -12.4545123553122 | etot = -8.37462302263839 +935000 ekin = 1.78473836462927 | erot = 2.39676204061381 | epot = -12.5561234284514 | etot = -8.37462302320833 +936000 ekin = 1.86987725385837 | erot = 2.3725869373384 | epot = -12.6170872147064 | etot = -8.37462302350959 +937000 ekin = 1.93720452637544 | erot = 2.32043568374953 | epot = -12.6322632336339 | etot = -8.37462302350895 +938000 ekin = 1.9838520890903 | erot = 2.24266190734083 | epot = -12.6011370196561 | etot = -8.37462302322501 +939000 ekin = 2.00910923705166 | erot = 2.14379034932815 | epot = -12.5275226091129 | etot = -8.37462302273308 +940000 ekin = 2.01395507289469 | erot = 2.02993348653905 | epot = -12.4185115815289 | etot = -8.37462302209514 +941000 ekin = 2.00103743451551 | erot = 1.90808629517564 | epot = -12.2837467510699 | etot = -8.37462302137876 +942000 ekin = 1.97419824310303 | erot = 1.78546116622366 | epot = -12.1342824299697 | etot = -8.37462302064297 +943000 ekin = 1.93808318009234 | erot = 1.66892069893568 | epot = -11.9816268989622 | etot = -8.37462301993414 +944000 ekin = 1.8977766335859 | erot = 1.5645619851526 | epot = -11.8369616380283 | etot = -8.37462301928981 +945000 ekin = 1.85843605736167 | erot = 1.47742214177585 | epot = -11.7104812178821 | etot = -8.37462301874459 +946000 ekin = 1.82491092897238 | erot = 1.4112458813213 | epot = -11.6107798286296 | etot = -8.37462301833593 +947000 ekin = 1.80134221884099 | erot = 1.36826076777436 | epot = -11.5442260047188 | etot = -8.3746230181035 +948000 ekin = 1.79076227754137 | erot = 1.34894522657638 | epot = -11.5143305222011 | etot = -8.37462301808336 +949000 ekin = 1.79475359820903 | erot = 1.35184135985263 | epot = -11.5212179763541 | etot = -8.3746230182924 +950000 ekin = 1.81326202049733 | erot = 1.37352812801424 | epot = -11.5614131672234 | etot = -8.37462301871185 +951000 ekin = 1.8446612222921 | erot = 1.40888082073615 | epot = -11.6281650623084 | etot = -8.37462301928016 +952000 ekin = 1.88610598518233 | erot = 1.4516699630596 | epot = -11.7123989681437 | etot = -8.37462301990175 +953000 ekin = 1.93415626208905 | erot = 1.49545802208077 | epot = -11.8042373044988 | etot = -8.37462302032895 +954000 ekin = 1.98570845875077 | erot = 1.53486140750072 | epot = -11.8951928870223 | etot = -8.37462302077084 +955000 ekin = 2.03763688300367 | erot = 1.56575119866826 | epot = -11.9780111026998 | etot = -8.37462302102783 +956000 ekin = 2.08752516850609 | erot = 1.58576425991822 | epot = -12.0479124495199 | etot = -8.37462302109557 +957000 ekin = 2.13388693710885 | erot = 1.59443657078623 | epot = -12.1029465289009 | etot = -8.37462302100585 +958000 ekin = 2.17603134876192 | erot = 1.59291217741034 | epot = -12.1435665469851 | etot = -8.37462302081279 +959000 ekin = 2.21381255039506 | erot = 1.58343493106153 | epot = -12.1718705020323 | etot = -8.3746230205757 +960000 ekin = 2.24735101958149 | erot = 1.56876603526881 | epot = -12.1907400751984 | etot = -8.37462302034813 +961000 ekin = 2.27678636585367 | erot = 1.55164507323174 | epot = -12.2030544592552 | etot = -8.37462302016982 +962000 ekin = 2.30208813280194 | erot = 1.53436606871416 | epot = -12.2110772215839 | etot = -8.37462302006782 +963000 ekin = 2.32292955590359 | erot = 1.51849868398086 | epot = -12.2160512599392 | etot = -8.37462302005478 +964000 ekin = 2.33862421267619 | erot = 1.5047615187632 | epot = -12.2180087515685 | etot = -8.37462302012906 +965000 ekin = 2.34813222213658 | erot = 1.49304783092089 | epot = -12.2158030733316 | etot = -8.37462302027411 +966000 ekin = 2.35015122853745 | erot = 1.48260237418168 | epot = -12.2073766231763 | etot = -8.37462302045712 +967000 ekin = 2.34330726066801 | erot = 1.47233774696489 | epot = -12.1902680282645 | etot = -8.37462302063163 +968000 ekin = 2.32644504716153 | erot = 1.46125212630528 | epot = -12.1623201942108 | etot = -8.37462302074401 +969000 ekin = 2.29898771920432 | erot = 1.44887277461825 | epot = -12.1224835145672 | etot = -8.37462302074465 +970000 ekin = 2.26130276214926 | erot = 1.43562016619226 | epot = -12.0715459489416 | etot = -8.37462302060004 +971000 ekin = 2.21499063336789 | erot = 1.42298879008693 | epot = -12.0126024437583 | etot = -8.37462302030352 +972000 ekin = 2.16303757452058 | erot = 1.41348472406632 | epot = -11.951145318372 | etot = -8.37462301978514 +973000 ekin = 2.10950969273521 | erot = 1.41039391551463 | epot = -11.8945266278588 | etot = -8.37462301960897 +974000 ekin = 2.05703199419465 | erot = 1.41732503873172 | epot = -11.8489800520854 | etot = -8.37462301915903 +975000 ekin = 2.01010390574292 | erot = 1.43732066922268 | epot = -11.8220475937212 | etot = -8.37462301875562 +976000 ekin = 1.97340114976778 | erot = 1.47261385396339 | epot = -11.8206380222098 | etot = -8.37462301847868 +977000 ekin = 1.95082006443637 | erot = 1.52416835984564 | epot = -11.8496114426837 | etot = -8.37462301840164 +978000 ekin = 1.9447283226985 | erot = 1.5913101945952 | epot = -11.9106615358701 | etot = -8.3746230185764 +979000 ekin = 1.95538713570238 | erot = 1.67153495870807 | epot = -12.0015451134282 | etot = -8.37462301901775 +980000 ekin = 1.9806772386414 | erot = 1.76051368575892 | epot = -12.115813944186 | etot = -8.37462301978569 +981000 ekin = 2.01579571923818 | erot = 1.852073195397 | epot = -12.242491935286 | etot = -8.3746230206508 +982000 ekin = 2.05441082038431 | erot = 1.93952253756493 | epot = -12.3685563794515 | etot = -8.37462302150224 +983000 ekin = 2.08992138437299 | erot = 2.01671280308907 | epot = -12.4812572096455 | etot = -8.37462302218342 +984000 ekin = 2.11656909820189 | erot = 2.07910696967932 | epot = -12.5702990904574 | etot = -8.37462302257622 +985000 ekin = 2.13033501101521 | erot = 2.12464764347404 | epot = -12.6296056771257 | etot = -8.37462302263646 +986000 ekin = 2.12935596247826 | erot = 2.15403431725829 | epot = -12.6580133021397 | etot = -8.37462302240314 +987000 ekin = 2.11471923987147 | erot = 2.17104098415582 | epot = -12.6603832459134 | etot = -8.37462302188615 +988000 ekin = 2.09119735100847 | erot = 2.18228698931407 | epot = -12.6481073619509 | etot = -8.37462302162839 +989000 ekin = 2.06027968800836 | erot = 2.19075462083354 | epot = -12.6256573302404 | etot = -8.37462302139855 +990000 ekin = 2.02336255788427 | erot = 2.19843813688459 | epot = -12.5964237160094 | etot = -8.37462302124054 +991000 ekin = 1.98188077466453 | erot = 2.2063805572012 | epot = -12.562884353023 | etot = -8.37462302115728 +992000 ekin = 1.93715749695718 | erot = 2.21473069767444 | epot = -12.5265112157552 | etot = -8.3746230211236 +993000 ekin = 1.89038311211529 | erot = 2.2230775987835 | epot = -12.4880837320058 | etot = -8.37462302110698 +994000 ekin = 1.84266575141443 | erot = 2.23084817708077 | epot = -12.4481369495769 | etot = -8.37462302108169 +995000 ekin = 1.79502825849762 | erot = 2.23761065997439 | epot = -12.4072619394952 | etot = -8.37462302102315 +996000 ekin = 1.74865820356561 | erot = 2.24323231086636 | epot = -12.3665135353738 | etot = -8.37462302094188 +997000 ekin = 1.70508150017444 | erot = 2.24765365390765 | epot = -12.3273581749414 | etot = -8.37462302085929 +998000 ekin = 1.66588125244514 | erot = 2.25078611336597 | epot = -12.291290386589 | etot = -8.37462302077789 +999000 ekin = 1.63259998370637 | erot = 2.25262768593191 | epot = -12.2598506903133 | etot = -8.37462302067497 +1000000 ekin = 1.60661879878209 | erot = 2.25373528619522 | epot = -12.2349771055384 | etot = -8.37462302056112 + 1000000 0.1190088 -1.3493654 0.12586767 -1.0628358 0.00017426596 64000 +Loop time of 17.562 on 1 procs for 1000000 steps with 10 atoms + +Performance: 49197.105 tau/day, 56941.094 timesteps/s +99.7% CPU use with 1 MPI tasks x no OpenMP threads + +MPI task timing breakdown: +Section | min time | avg time | max time |%varavg| %total +--------------------------------------------------------------- +Pair | 14.789 | 14.789 | 14.789 | 0.0 | 84.21 +Bond | 0.61289 | 0.61289 | 0.61289 | 0.0 | 3.49 +Neigh | 0.006141 | 0.006141 | 0.006141 | 0.0 | 0.03 +Comm | 0.32905 | 0.32905 | 0.32905 | 0.0 | 1.87 +Output | 0.098357 | 0.098357 | 0.098357 | 0.0 | 0.56 +Modify | 1.4688 | 1.4688 | 1.4688 | 0.0 | 8.36 +Other | | 0.2577 | | | 1.47 + +Nlocal: 10.0000 ave 10 max 10 min +Histogram: 1 0 0 0 0 0 0 0 0 0 +Nghost: 0.00000 ave 0 max 0 min +Histogram: 1 0 0 0 0 0 0 0 0 0 +Neighs: 37.0000 ave 37 max 37 min +Histogram: 1 0 0 0 0 0 0 0 0 0 + +Total # of neighbors = 37 +Ave neighs/atom = 3.7000000 +Ave special neighs/atom = 3.6000000 +Neighbor list builds = 1000 +Dangerous builds = 0 + +write_data last_config.${number}.* nocoeff +write_data last_config.1.* nocoeff +System init for write_data ... +#write_restart last_config.${number}.* +Total wall time: 0:00:17 diff --git a/examples/PACKAGES/cgdna/examples/oxDNA2/duplex1/log.2Jul21.duplex1.g++.4 b/examples/PACKAGES/cgdna/examples/oxDNA2/duplex1/log.2Jul21.duplex1.g++.4 new file mode 100644 index 0000000000..ed20d4c455 --- /dev/null +++ b/examples/PACKAGES/cgdna/examples/oxDNA2/duplex1/log.2Jul21.duplex1.g++.4 @@ -0,0 +1,1181 @@ +LAMMPS (2 Jul 2021) +variable number equal 1 +variable ofreq equal 1000 +variable efreq equal 1000 +variable T equal 0.1 +variable rhos equal 0.2 + +units lj + +dimension 3 + +newton on + +boundary p p p + +atom_style hybrid bond ellipsoid oxdna +WARNING: Atom style hybrid defines both, per-type and per-atom masses; both must be set, but only per-atom masses will be used (../atom_vec_hybrid.cpp:157) +atom_modify sort 0 1.0 + +# Pair interactions require lists of neighbours to be calculated +neighbor 2.0 bin +neigh_modify every 1 delay 0 check yes + +read_data data.duplex1 +Reading data file ... + orthogonal box = (-20.000000 -20.000000 -20.000000) to (20.000000 20.000000 20.000000) + 1 by 2 by 2 MPI processor grid + reading atoms ... + 10 atoms + reading velocities ... + 10 velocities + scanning bonds ... + 1 = max bonds/atom + 10 ellipsoids + reading bonds ... + 8 bonds +Finding 1-2 1-3 1-4 neighbors ... + special bond factors lj: 0 0 0 + special bond factors coul: 0 0 0 + 2 = max # of 1-2 neighbors + 2 = max # of 1-3 neighbors + 2 = max # of 1-4 neighbors + 4 = max # of special neighbors + special bonds CPU = 0.001 seconds + read_data CPU = 0.005 seconds + +set atom * mass 3.1575 +Setting atom values ... + 10 settings made for mass + +group all type 1 4 +10 atoms in group all + +# oxDNA2 bond interactions - FENE backbone +bond_style oxdna2/fene +bond_coeff * 2.0 0.25 0.7564 +special_bonds lj 0 1 1 +Finding 1-2 1-3 1-4 neighbors ... + special bond factors lj: 0 1 1 + special bond factors coul: 0 0 0 + 2 = max # of 1-2 neighbors + 2 = max # of 1-3 neighbors + 2 = max # of 1-4 neighbors + 4 = max # of special neighbors + special bonds CPU = 0.000 seconds + +# oxDNA2 pair interactions +pair_style hybrid/overlay oxdna2/excv oxdna2/stk oxdna2/hbond oxdna2/xstk oxdna2/coaxstk oxdna2/dh +pair_coeff * * oxdna2/excv 2.0 0.7 0.675 2.0 0.515 0.5 2.0 0.33 0.32 +pair_coeff * * oxdna2/stk seqav ${T} 1.3523 2.6717 6.0 0.4 0.9 0.32 0.75 1.3 0 0.8 0.9 0 0.95 0.9 0 0.95 2.0 0.65 2.0 0.65 +pair_coeff * * oxdna2/stk seqav 0.1 1.3523 2.6717 6.0 0.4 0.9 0.32 0.75 1.3 0 0.8 0.9 0 0.95 0.9 0 0.95 2.0 0.65 2.0 0.65 +pair_coeff * * oxdna2/hbond seqav 0.0 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 +pair_coeff 1 4 oxdna2/hbond seqav 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 +pair_coeff 2 3 oxdna2/hbond seqav 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 +pair_coeff * * oxdna2/xstk 47.5 0.575 0.675 0.495 0.655 2.25 0.791592653589793 0.58 1.7 1.0 0.68 1.7 1.0 0.68 1.5 0 0.65 1.7 0.875 0.68 1.7 0.875 0.68 +pair_coeff * * oxdna2/coaxstk 58.5 0.4 0.6 0.22 0.58 2.0 2.891592653589793 0.65 1.3 0 0.8 0.9 0 0.95 0.9 0 0.95 40.0 3.116592653589793 +pair_coeff * * oxdna2/dh ${T} ${rhos} 0.815 +pair_coeff * * oxdna2/dh 0.1 ${rhos} 0.815 +pair_coeff * * oxdna2/dh 0.1 0.2 0.815 + +# NVE ensemble +fix 1 all nve/asphere +#fix 2 all langevin ${T} ${T} 2.5 457145 angmom 10 + +timestep 1e-5 + +#comm_style tiled +fix 3 all balance 1000 1.03 shift xyz 10 1.03 +comm_modify cutoff 3.8 + +compute quat all property/atom quatw quati quatj quatk + +compute erot all erotate/asphere +compute ekin all ke +compute epot all pe +variable erot equal c_erot +variable ekin equal c_ekin +variable epot equal c_epot +variable etot equal c_erot+c_ekin+c_epot +fix 5 all print ${efreq} "$(step) ekin = ${ekin} | erot = ${erot} | epot = ${epot} | etot = ${etot}" screen yes +fix 5 all print 1000 "$(step) ekin = ${ekin} | erot = ${erot} | epot = ${epot} | etot = ${etot}" screen yes + +dump out all custom ${ofreq} out.${number}.lammpstrj id mol type x y z ix iy iz vx vy vz c_quat[1] c_quat[2] c_quat[3] c_quat[4] angmomx angmomy angmomz +dump out all custom 1000 out.${number}.lammpstrj id mol type x y z ix iy iz vx vy vz c_quat[1] c_quat[2] c_quat[3] c_quat[4] angmomx angmomy angmomz +dump out all custom 1000 out.1.lammpstrj id mol type x y z ix iy iz vx vy vz c_quat[1] c_quat[2] c_quat[3] c_quat[4] angmomx angmomy angmomz +dump_modify out sort id +dump_modify out format line "%d %d %d %22.15le %22.15le %22.15le %d %d %d %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le" + +run 1000000 +Neighbor list info ... + update every 1 steps, delay 0 steps, check yes + max neighbors/atom: 2000, page size: 100000 + master list distance cutoff = 5.6389877 + ghost atom cutoff = 5.6389877 + binsize = 2.8194939, bins = 15 15 15 + 5 neighbor lists, perpetual/occasional/extra = 5 0 0 + (1) pair oxdna2/excv, perpetual + attributes: half, newton on + pair build: half/bin/newton + stencil: half/bin/3d + bin: standard + (2) pair oxdna2/hbond, perpetual, copy from (1) + attributes: half, newton on + pair build: copy + stencil: none + bin: none + (3) pair oxdna2/xstk, perpetual, copy from (1) + attributes: half, newton on + pair build: copy + stencil: none + bin: none + (4) pair oxdna2/coaxstk, perpetual, copy from (1) + attributes: half, newton on + pair build: copy + stencil: none + bin: none + (5) pair oxdna2/dh, perpetual, copy from (1) + attributes: half, newton on + pair build: copy + stencil: none + bin: none +WARNING: Communication cutoff adjusted to 5.638987723814632 (../comm.cpp:739) +0 ekin = 1.10853632272819 | erot = 2.81573649976629 | epot = -12.298895791142 | etot = -8.37462296864754 +Per MPI rank memory allocation (min/avg/max) = 9.194 | 9.195 | 9.196 Mbytes +Step Temp E_pair E_mol TotEng Press Volume + 0 0.082113802 -1.3370157 0.10712616 -1.1190359 -6.6192825e-05 64000 +1000 ekin = 1.07640077431763 | erot = 2.90684392233818 | epot = -12.357867665527 | etot = -8.37462296887121 +2000 ekin = 1.05363107794411 | erot = 2.99414178935848 | epot = -12.4223958364623 | etot = -8.37462296915967 +3000 ekin = 1.04083382823095 | erot = 3.07274362339768 | epot = -12.4882004210899 | etot = -8.37462296946131 +4000 ekin = 1.03780093165925 | erot = 3.13815143503908 | epot = -12.5505753364221 | etot = -8.37462296972372 +5000 ekin = 1.04371581655901 | erot = 3.18681185449848 | epot = -12.6051506409707 | etot = -8.37462296991324 +6000 ekin = 1.05738085799297 | erot = 3.21642353087471 | epot = -12.6484273588875 | etot = -8.37462297001986 +7000 ekin = 1.07739394884044 | erot = 3.22597832036687 | epot = -12.6779952392559 | etot = -8.37462297004859 +8000 ekin = 1.1022663747209 | erot = 3.21563966301724 | epot = -12.6925290077504 | etot = -8.37462297001224 +9000 ekin = 1.13051291055329 | erot = 3.18656247631357 | epot = -12.6916983567815 | etot = -8.37462296991463 +10000 ekin = 1.16073704358066 | erot = 3.14076972913364 | epot = -12.6761297424774 | etot = -8.37462296976313 +11000 ekin = 1.19170449380508 | erot = 3.08098965164645 | epot = -12.6473171150236 | etot = -8.37462296957207 +12000 ekin = 1.22238189802732 | erot = 3.0104025346826 | epot = -12.6074074020774 | etot = -8.37462296936752 +13000 ekin = 1.25192691881491 | erot = 2.9323026187282 | epot = -12.558852506718 | etot = -8.37462296917493 +14000 ekin = 1.27963857618761 | erot = 2.84975156813378 | epot = -12.5040131133431 | etot = -8.37462296902168 +15000 ekin = 1.30489368750127 | erot = 2.76534813925013 | epot = -12.444864795638 | etot = -8.37462296888657 +16000 ekin = 1.32709913751465 | erot = 2.6811818478553 | epot = -12.3829039541517 | etot = -8.3746229687817 +17000 ekin = 1.34568132349848 | erot = 2.59861285690791 | epot = -12.3189171492214 | etot = -8.37462296881501 +18000 ekin = 1.36011712604128 | erot = 2.51802979978581 | epot = -12.2527698947085 | etot = -8.37462296888139 +19000 ekin = 1.37000559015645 | erot = 2.43889875259721 | epot = -12.1835273117077 | etot = -8.37462296895404 +20000 ekin = 1.37516683465218 | erot = 2.36049590954916 | epot = -12.110285713206 | etot = -8.37462296900469 +21000 ekin = 1.37575335509461 | erot = 2.28221618930097 | epot = -12.0325925134032 | etot = -8.37462296900766 +22000 ekin = 1.37235802310954 | erot = 2.20383846967476 | epot = -11.9508194617284 | etot = -8.37462296894406 +23000 ekin = 1.36610326249355 | erot = 2.12570839352806 | epot = -11.8664346248251 | etot = -8.37462296880354 +24000 ekin = 1.35869525710697 | erot = 2.04881568638623 | epot = -11.7821339120793 | etot = -8.37462296858607 +25000 ekin = 1.35242255125602 | erot = 1.97475968439783 | epot = -11.7018052039588 | etot = -8.3746229683049 +26000 ekin = 1.35007012440099 | erot = 1.90560954362747 | epot = -11.6303026360114 | etot = -8.37462296798292 +27000 ekin = 1.3547433297047 | erot = 1.84367629115701 | epot = -11.5730425885209 | etot = -8.37462296765922 +28000 ekin = 1.36954369410757 | erot = 1.79121252282619 | epot = -11.5353791843193 | etot = -8.37462296738557 +29000 ekin = 1.39711560919905 | erot = 1.75006009044063 | epot = -11.5217986668611 | etot = -8.37462296722143 +30000 ekin = 1.4391109249101 | erot = 1.72127833748022 | epot = -11.5350122296155 | etot = -8.37462296722517 +31000 ekin = 1.49567630461198 | erot = 1.70480588615784 | epot = -11.5751051582053 | etot = -8.37462296743552 +32000 ekin = 1.56511285114187 | erot = 1.6992353898336 | epot = -11.6389712088326 | etot = -8.37462296785708 +33000 ekin = 1.64385110263249 | erot = 1.70198396265073 | epot = -11.7204580336835 | etot = -8.37462296840027 +34000 ekin = 1.72681002365037 | erot = 1.709463143449 | epot = -11.8108961361852 | etot = -8.37462296908579 +35000 ekin = 1.80812188596385 | erot = 1.71712980816868 | epot = -11.8998746638723 | etot = -8.37462296973973 +36000 ekin = 1.88201893971562 | erot = 1.72067857993909 | epot = -11.9773204899105 | etot = -8.37462297025577 +37000 ekin = 1.94364733336839 | erot = 1.71680208569971 | epot = -12.0350723896308 | etot = -8.37462297056268 +38000 ekin = 1.98961498615658 | erot = 1.7037090792949 | epot = -12.0679470360926 | etot = -8.37462297064112 +39000 ekin = 2.01818359901117 | erot = 1.6812671128222 | epot = -12.0740736823534 | etot = -8.37462297052003 +40000 ekin = 2.02914332282587 | erot = 1.65077260628056 | epot = -12.054538899364 | etot = -8.37462297025758 +41000 ekin = 2.02349103018124 | erot = 1.6144826235111 | epot = -12.0125966236109 | etot = -8.37462296991857 +42000 ekin = 2.00304412554535 | erot = 1.57509121259575 | epot = -11.9527583076989 | etot = -8.3746229695578 +43000 ekin = 1.97008148028979 | erot = 1.53529510620986 | epot = -11.8799995557137 | etot = -8.37462296921407 +44000 ekin = 1.92705109571092 | erot = 1.49750726070826 | epot = -11.7991813253589 | etot = -8.37462296893973 +45000 ekin = 1.87634986385881 | erot = 1.46354390598901 | epot = -11.714516738533 | etot = -8.37462296868513 +46000 ekin = 1.82016797429767 | erot = 1.43491031451218 | epot = -11.6297012572907 | etot = -8.37462296848089 +47000 ekin = 1.76039182009028 | erot = 1.41286016407 | epot = -11.5478749524838 | etot = -8.37462296832354 +48000 ekin = 1.69856949274782 | erot = 1.39838217522424 | epot = -11.4715746361764 | etot = -8.37462296820431 +49000 ekin = 1.63593954988751 | erot = 1.39228918140577 | epot = -11.4028516994045 | etot = -8.37462296811125 +50000 ekin = 1.573518015373 | erot = 1.39530041169494 | epot = -11.3434413950978 | etot = -8.37462296802981 +51000 ekin = 1.51222872476358 | erot = 1.4081065034094 | epot = -11.2949581961197 | etot = -8.37462296794667 +52000 ekin = 1.45305245526496 | erot = 1.43140550730924 | epot = -11.2590809304253 | etot = -8.37462296785112 +53000 ekin = 1.39716366086923 | erot = 1.4658956749353 | epot = -11.2376823035407 | etot = -8.37462296773616 +54000 ekin = 1.34602153837051 | erot = 1.51222067984185 | epot = -11.2328651858293 | etot = -8.37462296761691 +55000 ekin = 1.30138436197336 | erot = 1.57077970891815 | epot = -11.2467870384001 | etot = -8.37462296750862 +56000 ekin = 1.26522647192236 | erot = 1.64151101613076 | epot = -11.2813604554934 | etot = -8.37462296744032 +57000 ekin = 1.23956119808443 | erot = 1.7236309263303 | epot = -11.3378150918587 | etot = -8.37462296744395 +58000 ekin = 1.22620283906733 | erot = 1.81539828229232 | epot = -11.4162240889028 | etot = -8.37462296754315 +59000 ekin = 1.22652758768657 | erot = 1.9140038119354 | epot = -11.5151543673671 | etot = -8.37462296774508 +60000 ekin = 1.24129579501625 | erot = 2.01564970996732 | epot = -11.6315684730208 | etot = -8.3746229680372 +61000 ekin = 1.27057003505326 | erot = 2.11581304358659 | epot = -11.7610060470469 | etot = -8.374622968407 +62000 ekin = 1.31372115356101 | erot = 2.20955642503236 | epot = -11.8979005473865 | etot = -8.37462296879312 +63000 ekin = 1.36947667734272 | erot = 2.29224896410223 | epot = -12.0363486106148 | etot = -8.37462296916984 +64000 ekin = 1.43596184816382 | erot = 2.35998108781796 | epot = -12.1705659055146 | etot = -8.37462296953284 +65000 ekin = 1.5108757081499 | erot = 2.40947275989084 | epot = -12.2949714378725 | etot = -8.37462296983178 +66000 ekin = 1.59162978656359 | erot = 2.43872351537726 | epot = -12.4049762719856 | etot = -8.37462297004473 +67000 ekin = 1.67546349074597 | erot = 2.44726186999247 | epot = -12.4973483309001 | etot = -8.3746229701617 +68000 ekin = 1.75953613825231 | erot = 2.43621057967589 | epot = -12.5703696881153 | etot = -8.37462297018708 +69000 ekin = 1.84098201456594 | erot = 2.40815676459637 | epot = -12.6237617493034 | etot = -8.37462297014108 +70000 ekin = 1.9169281052228 | erot = 2.36682660300827 | epot = -12.6583776782864 | etot = -8.37462297005529 +71000 ekin = 1.9844938047305 | erot = 2.31661131420484 | epot = -12.6757280888521 | etot = -8.37462296991679 +72000 ekin = 2.04081287193519 | erot = 2.26215174487669 | epot = -12.6775875867421 | etot = -8.37462296993018 +73000 ekin = 2.08263291328363 | erot = 2.2074336386418 | epot = -12.6646895218712 | etot = -8.3746229699458 +74000 ekin = 2.1069858415085 | erot = 2.15544421118363 | epot = -12.6370530226939 | etot = -8.3746229700018 +75000 ekin = 2.11136525908731 | erot = 2.1081694067506 | epot = -12.5941576359031 | etot = -8.37462297006514 +76000 ekin = 2.09405873141411 | erot = 2.06669472630762 | epot = -12.5353764278106 | etot = -8.37462297008889 +77000 ekin = 2.05455135347917 | erot = 2.03147933575646 | epot = -12.4606536592619 | etot = -8.37462297002628 +78000 ekin = 1.99386684227705 | erot = 2.0026817101331 | epot = -12.3711715222579 | etot = -8.37462296984776 +79000 ekin = 1.91474155283397 | erot = 1.98040758803654 | epot = -12.2697721104225 | etot = -8.37462296955195 +80000 ekin = 1.82155513477577 | erot = 1.9647973478023 | epot = -12.1609754517452 | etot = -8.3746229691671 +81000 ekin = 1.71999782481694 | erot = 1.95595086125355 | epot = -12.050571654813 | etot = -8.37462296874256 +82000 ekin = 1.61651478139498 | erot = 1.95375810375277 | epot = -11.9448958534852 | etot = -8.37462296833741 +83000 ekin = 1.51761134750079 | erot = 1.9577277486065 | epot = -11.8499620641155 | etot = -8.37462296800824 +84000 ekin = 1.42912416355166 | erot = 1.96688313409217 | epot = -11.7706302654419 | etot = -8.37462296779805 +85000 ekin = 1.35556895555397 | erot = 1.97976517498703 | epot = -11.7099570982739 | etot = -8.37462296773285 +86000 ekin = 1.29966988136848 | erot = 1.99452593271721 | epot = -11.6688187819006 | etot = -8.37462296781488 +87000 ekin = 1.26213747948969 | erot = 2.00910214170812 | epot = -11.6458625892977 | etot = -8.37462296809987 +88000 ekin = 1.24134500163876 | erot = 2.02122064243495 | epot = -11.6371886124845 | etot = -8.37462296841076 +89000 ekin = 1.23421644947628 | erot = 2.02900530500622 | epot = -11.6378447232196 | etot = -8.37462296873706 +90000 ekin = 1.23690604243587 | erot = 2.03136372571867 | epot = -11.6428927371715 | etot = -8.374622969017 +91000 ekin = 1.24531053049766 | erot = 2.02816188261866 | epot = -11.6480953823212 | etot = -8.37462296920492 +92000 ekin = 1.25564394227081 | erot = 2.02032873397354 | epot = -11.6505956455253 | etot = -8.37462296928095 +93000 ekin = 1.2648401881744 | erot = 2.00975004471106 | epot = -11.6492132021397 | etot = -8.3746229692542 +94000 ekin = 1.27076152680855 | erot = 1.99896253062564 | epot = -11.6443470265802 | etot = -8.374622969146 +95000 ekin = 1.27224696211196 | erot = 1.99076889271348 | epot = -11.6376388238182 | etot = -8.37462296899275 +96000 ekin = 1.26905385172933 | erot = 1.9877690850581 | epot = -11.6314459056159 | etot = -8.3746229688285 +97000 ekin = 1.26173398384364 | erot = 1.99196117307494 | epot = -11.6283181256016 | etot = -8.37462296868301 +98000 ekin = 1.25146122958159 | erot = 2.00445279489008 | epot = -11.6305369930525 | etot = -8.37462296858079 +99000 ekin = 1.23981039935426 | erot = 2.02529911459878 | epot = -11.6397324824947 | etot = -8.37462296854163 +100000 ekin = 1.22848889431703 | erot = 2.05346079777948 | epot = -11.6565726606772 | etot = -8.37462296858067 +101000 ekin = 1.21904296342442 | erot = 2.08686922543173 | epot = -11.6805351575619 | etot = -8.37462296870573 +102000 ekin = 1.21258708443156 | erot = 2.12259257652706 | epot = -11.7098026298707 | etot = -8.37462296891212 +103000 ekin = 1.20962138127621 | erot = 2.15710417867594 | epot = -11.7413485291302 | etot = -8.37462296917809 +104000 ekin = 1.2099943506476 | erot = 2.18665201736537 | epot = -11.7712693374782 | etot = -8.37462296946522 +105000 ekin = 1.21303379771957 | erot = 2.20771017012394 | epot = -11.7953669375663 | etot = -8.37462296972275 +106000 ekin = 1.21781939160547 | erot = 2.21746426398226 | epot = -11.809906625485 | etot = -8.37462296989724 +107000 ekin = 1.22352668485517 | erot = 2.21425769941226 | epot = -11.8124073542123 | etot = -8.37462296994488 +108000 ekin = 1.2297537161671 | erot = 2.19791821277335 | epot = -11.8022948987808 | etot = -8.37462296984036 +109000 ekin = 1.23675326669537 | erot = 2.16990174523003 | epot = -11.7812779815078 | etot = -8.37462296958244 +110000 ekin = 1.24552660594299 | erot = 2.13322593016602 | epot = -11.7533755053018 | etot = -8.37462296919279 +111000 ekin = 1.2577699492818 | erot = 2.09220325002891 | epot = -11.7245961680231 | etot = -8.37462296871236 +112000 ekin = 1.27568807280463 | erot = 2.05200951342218 | epot = -11.7023205544233 | etot = -8.37462296819652 +113000 ekin = 1.30169744977554 | erot = 2.01813224570283 | epot = -11.6944526631891 | etot = -8.37462296771077 +114000 ekin = 1.33804251858946 | erot = 1.99574344242906 | epot = -11.7084089283445 | etot = -8.37462296732602 +115000 ekin = 1.38647431929538 | erot = 1.98903581447797 | epot = -11.7501331008331 | etot = -8.37462296705971 +116000 ekin = 1.44876446583397 | erot = 2.00047074173041 | epot = -11.8238581746945 | etot = -8.37462296713016 +117000 ekin = 1.52378581535561 | erot = 2.03044339408211 | epot = -11.9288521768883 | etot = -8.37462296745063 +118000 ekin = 1.6084059418419 | erot = 2.07707436259023 | epot = -12.0601032724452 | etot = -8.37462296801304 +119000 ekin = 1.69804077960493 | erot = 2.13624566567636 | epot = -12.2089094140527 | etot = -8.37462296877144 +120000 ekin = 1.78696647862287 | erot = 2.20199105617499 | epot = -12.363580504444 | etot = -8.37462296964609 +121000 ekin = 1.86883508536314 | erot = 2.2671883740786 | epot = -12.5106464299765 | etot = -8.37462297053475 +122000 ekin = 1.93731263285359 | erot = 2.32446087034981 | epot = -12.6363964745337 | etot = -8.3746229713303 +123000 ekin = 1.9867358794579 | erot = 2.36714489985536 | epot = -12.7285037512507 | etot = -8.37462297193745 +124000 ekin = 2.01268857483492 | erot = 2.39015976226602 | epot = -12.7774713093892 | etot = -8.37462297228827 +125000 ekin = 2.01242153120629 | erot = 2.39062925356834 | epot = -12.7776737571262 | etot = -8.37462297235156 +126000 ekin = 1.9850729032809 | erot = 2.36815351492914 | epot = -12.7278493903454 | etot = -8.37462297213533 +127000 ekin = 1.93167931643428 | erot = 2.32470375634654 | epot = -12.6310060444623 | etot = -8.37462297168151 +128000 ekin = 1.85500076916896 | erot = 2.26419178968088 | epot = -12.4938155299042 | etot = -8.37462297105431 +129000 ekin = 1.75920795598156 | erot = 2.19182812292651 | epot = -12.3256590492353 | etot = -8.37462297032725 +130000 ekin = 1.64949415840205 | erot = 2.11340935726388 | epot = -12.1375264852353 | etot = -8.37462296956937 +131000 ekin = 1.53167143066935 | erot = 2.03466319554045 | epot = -11.9409575950479 | etot = -8.37462296883812 +132000 ekin = 1.41179399813997 | erot = 1.96073697301965 | epot = -11.7471539393349 | etot = -8.37462296817531 +133000 ekin = 1.29582771791057 | erot = 1.89586175533339 | epot = -11.5663124408529 | etot = -8.37462296760899 +134000 ekin = 1.18933366770496 | erot = 1.84313053331046 | epot = -11.4070871682759 | etot = -8.37462296726045 +135000 ekin = 1.09698845763054 | erot = 1.80418246558968 | epot = -11.2757938901597 | etot = -8.37462296693951 +136000 ekin = 1.02270904454078 | erot = 1.7798919585222 | epot = -11.1772239698133 | etot = -8.37462296675035 +137000 ekin = 0.969402888595009 | erot = 1.77022137974263 | epot = -11.1142472350344 | etot = -8.37462296669672 +138000 ekin = 0.938766242876245 | erot = 1.77423425797214 | epot = -11.0876234676246 | etot = -8.37462296677622 +139000 ekin = 0.931209536918429 | erot = 1.79022284403589 | epot = -11.0960553479291 | etot = -8.37462296697477 +140000 ekin = 0.945902360873547 | erot = 1.81588277986749 | epot = -11.1364081080066 | etot = -8.37462296726554 +141000 ekin = 0.980951010694929 | erot = 1.84854552854054 | epot = -11.2041195068457 | etot = -8.37462296761028 +142000 ekin = 1.03368854660408 | erot = 1.88546172258946 | epot = -11.2937732371591 | etot = -8.37462296796555 +143000 ekin = 1.10102464558782 | erot = 1.92410215903321 | epot = -11.3997497729122 | etot = -8.37462296829122 +144000 ekin = 1.17978371180456 | erot = 1.96241851789384 | epot = -11.5168251982587 | etot = -8.37462296856033 +145000 ekin = 1.26696389973261 | erot = 1.99907135517311 | epot = -11.6406582236455 | etot = -8.37462296873974 +146000 ekin = 1.35987698631718 | erot = 2.03338468070467 | epot = -11.7678846359143 | etot = -8.37462296889242 +147000 ekin = 1.45616095202976 | erot = 2.06502561999209 | epot = -11.8958095410383 | etot = -8.3746229690165 +148000 ekin = 1.5536968549109 | erot = 2.09388144715385 | epot = -12.022201271207 | etot = -8.37462296914221 +149000 ekin = 1.65047924324436 | erot = 2.11976671620332 | epot = -12.1448689287432 | etot = -8.37462296929551 +150000 ekin = 1.74448791629845 | erot = 2.1421786790356 | epot = -12.2612895648256 | etot = -8.37462296949154 +151000 ekin = 1.83359650490145 | erot = 2.16016451670444 | epot = -12.3683839913399 | etot = -8.37462296973401 +152000 ekin = 1.91553611044667 | erot = 2.17231614291472 | epot = -12.4624752233732 | etot = -8.37462297001185 +153000 ekin = 1.98791755611547 | erot = 2.17689716712716 | epot = -12.539437693548 | etot = -8.37462297030538 +154000 ekin = 2.04830722999057 | erot = 2.17205709329794 | epot = -12.5949872938781 | etot = -8.37462297058956 +155000 ekin = 2.09434778140688 | erot = 2.15608363214667 | epot = -12.6250543843906 | etot = -8.37462297083706 +156000 ekin = 2.12391577783721 | erot = 2.12765251039857 | epot = -12.6261912592565 | etot = -8.37462297102076 +157000 ekin = 2.1353100469757 | erot = 2.0860457491324 | epot = -12.5959787672229 | etot = -8.37462297111477 +158000 ekin = 2.12746223168626 | erot = 2.03132820631866 | epot = -12.5334134090999 | etot = -8.37462297109495 +159000 ekin = 2.10015103339247 | erot = 1.96448478929011 | epot = -12.4392587936244 | etot = -8.37462297094182 +160000 ekin = 2.05418416063722 | erot = 1.88751839461952 | epot = -12.3163255258997 | etot = -8.37462297064294 +161000 ekin = 1.99149541371344 | erot = 1.80350457154665 | epot = -12.1696229554607 | etot = -8.37462297020065 +162000 ekin = 1.91510266104762 | erot = 1.71656915682389 | epot = -12.0062947875077 | etot = -8.37462296963622 +163000 ekin = 1.82889680262297 | erot = 1.63175766791089 | epot = -11.8352774395238 | etot = -8.37462296898997 +164000 ekin = 1.73727850175433 | erot = 1.5547745055745 | epot = -11.6666759756467 | etot = -8.37462296831787 +165000 ekin = 1.6447087543994 | erot = 1.49159241029582 | epot = -11.5109241323764 | etot = -8.3746229676812 +166000 ekin = 1.55526715399666 | erot = 1.44796523954041 | epot = -11.3778553606752 | etot = -8.3746229671381 +167000 ekin = 1.47230568197398 | erot = 1.42890789301304 | epot = -11.27583654172 | etot = -8.374622966733 +168000 ekin = 1.39825202215371 | erot = 1.4382252321603 | epot = -11.2111002208047 | etot = -8.37462296649065 +169000 ekin = 1.3345719619018 | erot = 1.4781674025412 | epot = -11.187362330859 | etot = -8.37462296641595 +170000 ekin = 1.28186404086337 | erot = 1.5492593913673 | epot = -11.2057463987267 | etot = -8.37462296649605 +171000 ekin = 1.24010532837069 | erot = 1.65031493319924 | epot = -11.2650432281445 | etot = -8.37462296657455 +172000 ekin = 1.20973432363927 | erot = 1.77850842430643 | epot = -11.3628657149161 | etot = -8.37462296697039 +173000 ekin = 1.18958106737854 | erot = 1.92939472681626 | epot = -11.4935987616323 | etot = -8.37462296743751 +174000 ekin = 1.17780375666815 | erot = 2.09752621801757 | epot = -11.6499529426364 | etot = -8.37462296795064 +175000 ekin = 1.17250284106946 | erot = 2.27682305293081 | epot = -11.8239488624896 | etot = -8.37462296848935 +176000 ekin = 1.17177313417523 | erot = 2.46086230703696 | epot = -12.0072584102478 | etot = -8.37462296903563 +177000 ekin = 1.17372471418906 | erot = 2.64315812275385 | epot = -12.1915058065132 | etot = -8.37462296957025 +178000 ekin = 1.17649725816085 | erot = 2.81745378599582 | epot = -12.3685740142269 | etot = -8.37462297007019 +179000 ekin = 1.17828959842952 | erot = 2.97803885665143 | epot = -12.5309514255899 | etot = -8.37462297050891 +180000 ekin = 1.17741681901028 | erot = 3.12008209304906 | epot = -12.6721218829181 | etot = -8.37462297085878 +181000 ekin = 1.1723947928011 | erot = 3.23994177497995 | epot = -12.7869595388777 | etot = -8.37462297109667 +182000 ekin = 1.1620416167421 | erot = 3.33528346670201 | epot = -12.871948054926 | etot = -8.37462297148189 +183000 ekin = 1.14544700201208 | erot = 3.40346825728336 | epot = -12.9235382308529 | etot = -8.37462297155747 +184000 ekin = 1.12187454429775 | erot = 3.44382690739269 | epot = -12.9403244231948 | etot = -8.3746229715044 +185000 ekin = 1.09113819766591 | erot = 3.45752421108418 | epot = -12.9232853800837 | etot = -8.37462297133365 +186000 ekin = 1.05375177637583 | erot = 3.4468126024859 | epot = -12.8751873499238 | etot = -8.37462297106209 +187000 ekin = 1.01100426926478 | erot = 3.41470705189775 | epot = -12.8003342918715 | etot = -8.37462297070899 +188000 ekin = 0.964980950088774 | erot = 3.36467106156949 | epot = -12.7042749819532 | etot = -8.37462297029496 +189000 ekin = 0.918502012521176 | erot = 3.30025095733366 | epot = -12.5933759397282 | etot = -8.37462296987338 +190000 ekin = 0.874955375625786 | erot = 3.22483721777298 | epot = -12.4744155628192 | etot = -8.37462296942041 +191000 ekin = 0.838012694189986 | erot = 3.14179385100332 | epot = -12.3544295141829 | etot = -8.37462296898962 +192000 ekin = 0.811264586710963 | erot = 3.05421641257493 | epot = -12.2401039678973 | etot = -8.37462296861143 +193000 ekin = 0.797833231457362 | erot = 2.96485918306436 | epot = -12.1373153828321 | etot = -8.37462296831036 +194000 ekin = 0.800032366300468 | erot = 2.87610608236725 | epot = -12.0507614167682 | etot = -8.37462296810044 +195000 ekin = 0.819137512919597 | erot = 2.78998115247884 | epot = -11.9837416333826 | etot = -8.37462296798416 +196000 ekin = 0.855301818719039 | erot = 2.7081876552627 | epot = -11.9381124419349 | etot = -8.37462296795316 +197000 ekin = 0.907617485284263 | erot = 2.6321557447555 | epot = -11.9143961980329 | etot = -8.37462296799313 +198000 ekin = 0.974291517583769 | erot = 2.56307623018493 | epot = -11.911990715856 | etot = -8.37462296808732 +199000 ekin = 1.0528865187871 | erot = 2.50190471363201 | epot = -11.9294142006398 | etot = -8.3746229682207 +200000 ekin = 1.14057530731152 | erot = 2.44933274089605 | epot = -11.9645310165894 | etot = -8.37462296838183 +201000 ekin = 1.23436945655699 | erot = 2.4057357740475 | epot = -12.0147281991679 | etot = -8.37462296856337 +202000 ekin = 1.33129982084388 | erot = 2.37111655194196 | epot = -12.0770393415457 | etot = -8.37462296875989 +203000 ekin = 1.42854451444347 | erot = 2.34506402190598 | epot = -12.148231505317 | etot = -8.37462296896754 +204000 ekin = 1.52351160571773 | erot = 2.32674290434286 | epot = -12.224877479242 | etot = -8.37462296918144 +205000 ekin = 1.61388837059984 | erot = 2.31491995505487 | epot = -12.3034312950507 | etot = -8.37462296939603 +206000 ekin = 1.69766775260718 | erot = 2.3080250040048 | epot = -12.3803157262167 | etot = -8.37462296960474 +207000 ekin = 1.77315874687775 | erot = 2.30423562983907 | epot = -12.4520173465201 | etot = -8.3746229698033 +208000 ekin = 1.83898325555867 | erot = 2.30156289475869 | epot = -12.515169120302 | etot = -8.37462296998464 +209000 ekin = 1.89406065254616 | erot = 2.29797193080379 | epot = -12.5666555534941 | etot = -8.37462297014415 +210000 ekin = 1.93758171355925 | erot = 2.29149245614576 | epot = -12.6036971399825 | etot = -8.37462297027751 +211000 ekin = 1.96897499678795 | erot = 2.28032999988906 | epot = -12.6239279670577 | etot = -8.37462297038067 +212000 ekin = 1.98787057423956 | erot = 2.26297816329984 | epot = -12.6254717079894 | etot = -8.37462297044996 +213000 ekin = 1.99406615310661 | erot = 2.23834847729583 | epot = -12.6070376008829 | etot = -8.3746229704805 +214000 ekin = 1.98749971048357 | erot = 2.20579329600858 | epot = -12.5679159769726 | etot = -8.37462297048041 +215000 ekin = 1.96823269345748 | erot = 2.16512069835616 | epot = -12.5079763622598 | etot = -8.37462297044615 +216000 ekin = 1.93645036858827 | erot = 2.11663233289607 | epot = -12.4277056718664 | etot = -8.37462297038201 +217000 ekin = 1.89249565101184 | erot = 2.06105227365565 | epot = -12.3281708949563 | etot = -8.37462297028879 +218000 ekin = 1.83696296101026 | erot = 1.99944931813373 | epot = -12.2110352493004 | etot = -8.37462297015639 +219000 ekin = 1.77087997200072 | erot = 1.93321768349764 | epot = -12.0787206254579 | etot = -8.37462296995955 +220000 ekin = 1.69598414200906 | erot = 1.86416918368618 | epot = -11.9347762953552 | etot = -8.37462296965996 +221000 ekin = 1.61504938765182 | erot = 1.79472971030261 | epot = -11.7844020671758 | etot = -8.37462296922139 +222000 ekin = 1.53214607792093 | erot = 1.72813764736988 | epot = -11.6349066939258 | etot = -8.37462296863498 +223000 ekin = 1.4526624088324 | erot = 1.66846349300119 | epot = -11.4957488697767 | etot = -8.37462296794309 +224000 ekin = 1.38293292450221 | erot = 1.6202792722125 | epot = -11.3778351639601 | etot = -8.37462296724537 +225000 ekin = 1.32944348952842 | erot = 1.58793473617121 | epot = -11.2920011923814 | etot = -8.37462296668181 +226000 ekin = 1.29777350141066 | erot = 1.57457480049478 | epot = -11.2469712682745 | etot = -8.3746229663691 +227000 ekin = 1.29158711545539 | erot = 1.58136206120086 | epot = -11.24757214304 | etot = -8.37462296638379 +228000 ekin = 1.31199160550521 | erot = 1.60705168356011 | epot = -11.2936662557515 | etot = -8.37462296668622 +229000 ekin = 1.35720775781596 | erot = 1.64872427968725 | epot = -11.3805550048103 | etot = -8.37462296730712 +230000 ekin = 1.42320705813339 | erot = 1.70117239435445 | epot = -11.499002420542 | etot = -8.37462296805411 +231000 ekin = 1.50467169677581 | erot = 1.75808746579057 | epot = -11.6373821313689 | etot = -8.37462296880256 +232000 ekin = 1.59576180204782 | erot = 1.81345446216766 | epot = -11.7838392336738 | etot = -8.37462296945837 +233000 ekin = 1.69077156764762 | erot = 1.86233770608592 | epot = -11.9277322437048 | etot = -8.3746229699713 +234000 ekin = 1.78453671679902 | erot = 1.90129507954651 | epot = -12.0604547666786 | etot = -8.37462297033305 +235000 ekin = 1.87261122258967 | erot = 1.9284220717117 | epot = -12.1756562648638 | etot = -8.37462297056238 +236000 ekin = 1.95129507586051 | erot = 1.94312673772466 | epot = -12.269044784275 | etot = -8.37462297068982 +237000 ekin = 2.01688127570893 | erot = 1.94587838549638 | epot = -12.3373826321085 | etot = -8.37462297090321 +238000 ekin = 2.06554471096635 | erot = 1.93754713481384 | epot = -12.3777148167605 | etot = -8.37462297098031 +239000 ekin = 2.09498833917104 | erot = 1.91896908743933 | epot = -12.3885803976059 | etot = -8.37462297099549 +240000 ekin = 2.10387887335863 | erot = 1.89114067893478 | epot = -12.3696425232248 | etot = -8.37462297093134 +241000 ekin = 2.09205058134751 | erot = 1.85524232773722 | epot = -12.3219158798517 | etot = -8.37462297076695 +242000 ekin = 2.06070692356717 | erot = 1.81270484104131 | epot = -12.2480347350926 | etot = -8.37462297048416 +243000 ekin = 2.01255526288379 | erot = 1.76529169809285 | epot = -12.1524699310582 | etot = -8.37462297008152 +244000 ekin = 1.95178746173543 | erot = 1.71512317980746 | epot = -12.0415336111125 | etot = -8.37462296956963 +245000 ekin = 1.88387514784693 | erot = 1.66462101119872 | epot = -11.923119128034 | etot = -8.37462296898834 +246000 ekin = 1.81512558267768 | erot = 1.61637080971493 | epot = -11.8061193607913 | etot = -8.37462296839864 +247000 ekin = 1.75197548737583 | erot = 1.57289129038632 | epot = -11.6994897456361 | etot = -8.37462296787399 +248000 ekin = 1.70016015194915 | erot = 1.53636641743628 | epot = -11.6111495368723 | etot = -8.37462296748684 +249000 ekin = 1.66404391454307 | erot = 1.50839677555145 | epot = -11.5470636572528 | etot = -8.37462296715831 +250000 ekin = 1.64635032469237 | erot = 1.48977166427888 | epot = -11.5107449561759 | etot = -8.37462296720461 +251000 ekin = 1.64670868822424 | erot = 1.48021150770204 | epot = -11.501543163354 | etot = -8.37462296742773 +252000 ekin = 1.66264181464398 | erot = 1.47871062656233 | epot = -11.5159754089783 | etot = -8.37462296777201 +253000 ekin = 1.69027564040418 | erot = 1.4838006950994 | epot = -11.5486993036748 | etot = -8.37462296817121 +254000 ekin = 1.72505301291753 | erot = 1.49382397147149 | epot = -11.5934999529542 | etot = -8.37462296856521 +255000 ekin = 1.76239471231559 | erot = 1.50720813837951 | epot = -11.6442258196102 | etot = -8.3746229689151 +256000 ekin = 1.79816893498624 | erot = 1.52259254469701 | epot = -11.6953844488847 | etot = -8.37462296920143 +257000 ekin = 1.8289509523976 | erot = 1.53887801863831 | epot = -11.7424519404547 | etot = -8.37462296941884 +258000 ekin = 1.85212386739641 | erot = 1.55528591409732 | epot = -11.7820327510617 | etot = -8.374622969568 +259000 ekin = 1.86588413888306 | erot = 1.57137656836521 | epot = -11.8118836768987 | etot = -8.3746229696504 +260000 ekin = 1.86922537289967 | erot = 1.58707491263371 | epot = -11.8309232551855 | etot = -8.3746229696521 +261000 ekin = 1.8619474577806 | erot = 1.60277606186344 | epot = -11.8393464893232 | etot = -8.37462296967919 +262000 ekin = 1.84441202421402 | erot = 1.61874454524364 | epot = -11.8377795390081 | etot = -8.37462296955045 +263000 ekin = 1.81775632997711 | erot = 1.63584439963944 | epot = -11.8282236989401 | etot = -8.37462296932356 +264000 ekin = 1.78414336143547 | erot = 1.65581672859451 | epot = -11.8145830590346 | etot = -8.37462296900464 +265000 ekin = 1.74659811333744 | erot = 1.68088156362845 | epot = -11.802102645597 | etot = -8.37462296863111 +266000 ekin = 1.70875551588653 | erot = 1.71332387538146 | epot = -11.7967023595417 | etot = -8.37462296827373 +267000 ekin = 1.67443624978621 | erot = 1.75501089284554 | epot = -11.8040701106192 | etot = -8.37462296798742 +268000 ekin = 1.64712713207545 | erot = 1.80695733277743 | epot = -11.8287074326934 | etot = -8.37462296784051 +269000 ekin = 1.62949021142679 | erot = 1.86883267567257 | epot = -11.872945854971 | etot = -8.37462296787168 +270000 ekin = 1.6228515992244 | erot = 1.9387281089436 | epot = -11.9362026762884 | etot = -8.37462296812045 +271000 ekin = 1.62688631043695 | erot = 2.01317767222122 | epot = -12.0146869512055 | etot = -8.37462296854733 +272000 ekin = 1.63981668010343 | erot = 2.08746423747733 | epot = -12.1019038866655 | etot = -8.37462296908471 +273000 ekin = 1.6588009116894 | erot = 2.15626799363862 | epot = -12.1896918749687 | etot = -8.37462296964073 +274000 ekin = 1.68050753849828 | erot = 2.21448722130979 | epot = -12.2696177299294 | etot = -8.3746229701213 +275000 ekin = 1.70172643739711 | erot = 2.25805265702313 | epot = -12.3344020648714 | etot = -8.3746229704512 +276000 ekin = 1.71987527696088 | erot = 2.28456562449038 | epot = -12.3790638720389 | etot = -8.37462297058762 +277000 ekin = 1.73331269261531 | erot = 2.2936490566393 | epot = -12.401584719777 | etot = -8.37462297052239 +278000 ekin = 1.74143735013694 | erot = 2.28698125839038 | epot = -12.403041578799 | etot = -8.37462297027172 +279000 ekin = 1.74460802870554 | erot = 2.26806682992404 | epot = -12.3872978285227 | etot = -8.37462296989315 +280000 ekin = 1.74394008412412 | erot = 2.24171314052056 | epot = -12.3602761940827 | etot = -8.37462296943797 +281000 ekin = 1.74088698058156 | erot = 2.21312908436397 | epot = -12.328639034053 | etot = -8.37462296910752 +282000 ekin = 1.73669656458684 | erot = 2.18704204449651 | epot = -12.2983615778776 | etot = -8.3746229687942 +283000 ekin = 1.73229007371573 | erot = 2.1674467962291 | epot = -12.2743598385779 | etot = -8.37462296863304 +284000 ekin = 1.72792109204508 | erot = 2.15675164213785 | epot = -12.2592957028506 | etot = -8.37462296866769 +285000 ekin = 1.72297480902827 | erot = 2.15537559427311 | epot = -12.2529733721988 | etot = -8.37462296889743 +286000 ekin = 1.71598432453 | erot = 2.16179000838381 | epot = -12.25239730217 | etot = -8.37462296925621 +287000 ekin = 1.70498524220286 | erot = 2.173155030137 | epot = -12.2527632419506 | etot = -8.37462296961069 +288000 ekin = 1.68823578051903 | erot = 2.18649203663127 | epot = -12.2493507869514 | etot = -8.37462296980111 +289000 ekin = 1.66510970376174 | erot = 2.19999055777909 | epot = -12.2397232312596 | etot = -8.37462296971872 +290000 ekin = 1.63674302037954 | erot = 2.21381252699327 | epot = -12.2251785167465 | etot = -8.37462296937372 +291000 ekin = 1.60601874197395 | erot = 2.22992661048312 | epot = -12.2105683213523 | etot = -8.3746229688952 +292000 ekin = 1.57682389343752 | erot = 2.25107800691073 | epot = -12.2025248687803 | etot = -8.37462296843205 +293000 ekin = 1.55301992418683 | erot = 2.27950943304591 | epot = -12.2071523254116 | etot = -8.37462296817889 +294000 ekin = 1.53731454048174 | erot = 2.31583078837865 | epot = -12.2277682970254 | etot = -8.37462296816498 +295000 ekin = 1.53083265562504 | erot = 2.35873605655261 | epot = -12.264191680545 | etot = -8.37462296836736 +296000 ekin = 1.53318706455239 | erot = 2.40528084679021 | epot = -12.3130908800601 | etot = -8.37462296871754 +297000 ekin = 1.54281493583623 | erot = 2.45151931863421 | epot = -12.3689572236265 | etot = -8.37462296915609 +298000 ekin = 1.55733608765135 | erot = 2.49306411731896 | epot = -12.4250231746863 | etot = -8.37462296971601 +299000 ekin = 1.5740738628828 | erot = 2.52498633848713 | epot = -12.473683171532 | etot = -8.37462297016211 +300000 ekin = 1.59001535760057 | erot = 2.5434931518281 | epot = -12.5081314799999 | etot = -8.37462297057123 +301000 ekin = 1.60189886822687 | erot = 2.54585083166139 | epot = -12.5223726708122 | etot = -8.37462297092397 +302000 ekin = 1.606202515857 | erot = 2.53039812867599 | epot = -12.5112236158398 | etot = -8.37462297130681 +303000 ekin = 1.59914065240708 | erot = 2.49598280993758 | epot = -12.4697464340445 | etot = -8.37462297169981 +304000 ekin = 1.57679795693913 | erot = 2.44177332378513 | epot = -12.3931942527976 | etot = -8.37462297207338 +305000 ekin = 1.53574304374243 | erot = 2.3676190541423 | epot = -12.2779850699667 | etot = -8.37462297208197 +306000 ekin = 1.47392866559851 | erot = 2.27453104047969 | epot = -12.1230826782598 | etot = -8.37462297218158 +307000 ekin = 1.39050823398847 | erot = 2.16376504506994 | epot = -11.9288962509223 | etot = -8.37462297186389 +308000 ekin = 1.2896152298086 | erot = 2.03977667258498 | epot = -11.7040148706656 | etot = -8.37462296827207 +309000 ekin = 1.05782937494292 | erot = 1.83361716571104 | epot = -11.2660695010602 | etot = -8.37462296040623 +310000 ekin = 1.14450415447965 | erot = 1.58483272602664 | epot = -11.1039598386832 | etot = -8.37462295817687 +311000 ekin = 1.41922601312442 | erot = 1.45460499880715 | epot = -11.2484540448415 | etot = -8.37462303290993 +312000 ekin = 1.45261330232121 | erot = 1.37611906651637 | epot = -11.2033554015513 | etot = -8.37462303271372 +313000 ekin = 1.4788437717408 | erot = 1.31854286229449 | epot = -11.1720096664207 | etot = -8.37462303238537 +314000 ekin = 1.49756299811591 | erot = 1.28320357876867 | epot = -11.1553896088943 | etot = -8.37462303200971 +315000 ekin = 1.51332559187995 | erot = 1.27043025389279 | epot = -11.158378877496 | etot = -8.37462303172327 +316000 ekin = 1.53080061118026 | erot = 1.27925593275691 | epot = -11.1846795755419 | etot = -8.37462303160469 +317000 ekin = 1.55378721590892 | erot = 1.30719554367425 | epot = -11.2356057912727 | etot = -8.37462303168955 +318000 ekin = 1.58370434541109 | erot = 1.34913652060297 | epot = -11.3074638985371 | etot = -8.374623032523 +319000 ekin = 1.61943484148295 | erot = 1.39801478359137 | epot = -11.3920726581918 | etot = -8.37462303311752 +320000 ekin = 1.65864783760583 | erot = 1.44696670458938 | epot = -11.4802375759962 | etot = -8.37462303380101 +321000 ekin = 1.6976698384742 | erot = 1.48920524278932 | epot = -11.561498115728 | etot = -8.37462303446449 +322000 ekin = 1.73222385846161 | erot = 1.51888544570603 | epot = -11.6257323391493 | etot = -8.37462303498166 +323000 ekin = 1.75834700852462 | erot = 1.53202956630704 | epot = -11.6649996100703 | etot = -8.37462303523864 +324000 ekin = 1.77324650046493 | erot = 1.52732597029455 | epot = -11.6751955059278 | etot = -8.37462303516831 +325000 ekin = 1.77583924217148 | erot = 1.50655389358397 | epot = -11.6570161705558 | etot = -8.37462303480038 +326000 ekin = 1.76682929377058 | erot = 1.47436928283883 | epot = -11.6158216107578 | etot = -8.37462303414843 +327000 ekin = 1.74834602231326 | erot = 1.43794367202746 | epot = -11.5609127277015 | etot = -8.37462303336073 +328000 ekin = 1.72331109821437 | erot = 1.40578615079726 | epot = -11.5037202815796 | etot = -8.37462303256798 +329000 ekin = 1.69488797673583 | erot = 1.38635580023373 | epot = -11.4558668088469 | etot = -8.3746230318773 +330000 ekin = 1.6656651333496 | erot = 1.38702252391951 | epot = -11.4273106886518 | etot = -8.37462303138264 +331000 ekin = 1.63732185166402 | erot = 1.41331220646683 | epot = -11.4252570892371 | etot = -8.37462303110628 +332000 ekin = 1.61073968004208 | erot = 1.46826665363504 | epot = -11.453629364734 | etot = -8.37462303105687 +333000 ekin = 1.58605232106696 | erot = 1.5522055904313 | epot = -11.5128809427321 | etot = -8.37462303123381 +334000 ekin = 1.5628441592252 | erot = 1.66255678080433 | epot = -11.6000239716202 | etot = -8.3746230315907 +335000 ekin = 1.54014240613999 | erot = 1.79443783502711 | epot = -11.7092032732483 | etot = -8.37462303208118 +336000 ekin = 1.51670455216779 | erot = 1.94117931563194 | epot = -11.8325069004488 | etot = -8.37462303264909 +337000 ekin = 1.49128277555691 | erot = 2.0949241434516 | epot = -11.9608299522436 | etot = -8.37462303323505 +338000 ekin = 1.46282625483174 | erot = 2.24735936520808 | epot = -12.084808653823 | etot = -8.37462303378314 +339000 ekin = 1.43063896798429 | erot = 2.39044100153282 | epot = -12.1957030037644 | etot = -8.37462303424733 +340000 ekin = 1.39448012484134 | erot = 2.51702660358864 | epot = -12.2861297630257 | etot = -8.37462303459572 +341000 ekin = 1.35460313822342 | erot = 2.62135284037302 | epot = -12.3505790134079 | etot = -8.37462303481151 +342000 ekin = 1.31173936863123 | erot = 2.69933546749565 | epot = -12.3856978710171 | etot = -8.37462303489026 +343000 ekin = 1.26704159860301 | erot = 2.74871044551612 | epot = -12.390375078955 | etot = -8.3746230348359 +344000 ekin = 1.2220065450956 | erot = 2.76906107654435 | epot = -12.3656906562953 | etot = -8.37462303465534 +345000 ekin = 1.17839357225762 | erot = 2.76177689465409 | epot = -12.314793501269 | etot = -8.37462303435724 +346000 ekin = 1.13814730560366 | erot = 2.72996678569744 | epot = -12.2427371252546 | etot = -8.37462303395354 +347000 ekin = 1.10331757839189 | erot = 2.67831421953866 | epot = -12.1562548313937 | etot = -8.37462303346319 +348000 ekin = 1.07595787263701 | erot = 2.61283600667575 | epot = -12.0634169122301 | etot = -8.37462303291736 +349000 ekin = 1.0579814719175 | erot = 2.54050407789345 | epot = -11.9731085821719 | etot = -8.37462303236099 +350000 ekin = 1.05096760963783 | erot = 2.46871550807927 | epot = -11.8943061495681 | etot = -8.37462303185096 +351000 ekin = 1.05593437429287 | erot = 2.40463774697948 | epot = -11.8351951527201 | etot = -8.3746230314477 +352000 ekin = 1.07311971186445 | erot = 2.35449555191596 | epot = -11.8022382949869 | etot = -8.3746230312065 +353000 ekin = 1.10182415540729 | erot = 2.32288867128129 | epot = -11.7993358578563 | etot = -8.37462303116775 +354000 ekin = 1.1403630046458 | erot = 2.31223409502276 | epot = -11.8272201310181 | etot = -8.37462303134955 +355000 ekin = 1.18615564007747 | erot = 2.32242185961901 | epot = -11.8832005314386 | etot = -8.37462303174213 +356000 ekin = 1.23595386569768 | erot = 2.35076326964089 | epot = -11.9613401676441 | etot = -8.37462303230557 +357000 ekin = 1.28618457758527 | erot = 2.39228504524844 | epot = -12.0530926558067 | etot = -8.37462303297295 +358000 ekin = 1.33335672483922 | erot = 2.44036693764112 | epot = -12.1483466961405 | etot = -8.37462303366018 +359000 ekin = 1.37446611423394 | erot = 2.48763760748888 | epot = -12.2367267560032 | etot = -8.37462303428037 +360000 ekin = 1.4073369853998 | erot = 2.52696891747068 | epot = -12.3089289376288 | etot = -8.3746230347583 +361000 ekin = 1.43085230116985 | erot = 2.55266032656752 | epot = -12.3581356626684 | etot = -8.37462303493106 +362000 ekin = 1.44498023419411 | erot = 2.5616119244846 | epot = -12.3812151936916 | etot = -8.37462303501293 +363000 ekin = 1.45080808015357 | erot = 2.55177253019121 | epot = -12.3772036452511 | etot = -8.37462303490632 +364000 ekin = 1.4504698206984 | erot = 2.52283864584446 | epot = -12.3479315011825 | etot = -8.3746230346396 +365000 ekin = 1.44693366151922 | erot = 2.47609933176865 | epot = -12.2976560275504 | etot = -8.37462303426257 +366000 ekin = 1.44366094467937 | erot = 2.41401126337839 | epot = -12.232295241894 | etot = -8.37462303383623 +367000 ekin = 1.44416618229089 | erot = 2.33969773429917 | epot = -12.158486950013 | etot = -8.37462303342294 +368000 ekin = 1.45154164411989 | erot = 2.25648465085276 | epot = -12.0826493280459 | etot = -8.37462303307324 +369000 ekin = 1.46802482610957 | erot = 2.16757470030039 | epot = -12.0102225592264 | etot = -8.3746230328164 +370000 ekin = 1.4946848415784 | erot = 2.07591739973278 | epot = -11.9452252739691 | etot = -8.3746230326579 +371000 ekin = 1.53128479293964 | erot = 1.9842652262904 | epot = -11.8901730518131 | etot = -8.37462303258308 +372000 ekin = 1.57634160155475 | erot = 1.89533626064742 | epot = -11.8463008947684 | etot = -8.37462303256626 +373000 ekin = 1.62736107596568 | erot = 1.81196417168995 | epot = -11.8139482802383 | etot = -8.37462303258269 +374000 ekin = 1.68119274504092 | erot = 1.73713269144262 | epot = -11.7929484690964 | etot = -8.37462303261285 +375000 ekin = 1.73444043052779 | erot = 1.67385884334812 | epot = -11.7829223065189 | etot = -8.37462303264297 +376000 ekin = 1.78387586143861 | erot = 1.62497473906467 | epot = -11.7834736331725 | etot = -8.37462303266922 +377000 ekin = 1.8264818609183 | erot = 1.59275354369276 | epot = -11.7938584374893 | etot = -8.37462303287821 +378000 ekin = 1.85889028460699 | erot = 1.57838589666717 | epot = -11.8118992141847 | etot = -8.37462303291055 +379000 ekin = 1.87974734421288 | erot = 1.58231910072895 | epot = -11.8366894778896 | etot = -8.37462303294772 +380000 ekin = 1.88876618247863 | erot = 1.60397852042879 | epot = -11.867367735925 | etot = -8.37462303301755 +381000 ekin = 1.88634387025526 | erot = 1.64162253507708 | epot = -11.9025894384705 | etot = -8.3746230331382 +382000 ekin = 1.87329602399917 | erot = 1.69239968364358 | epot = -11.9403187409501 | etot = -8.37462303330739 +383000 ekin = 1.85067766912035 | erot = 1.75260724974017 | epot = -11.9779079523639 | etot = -8.37462303350337 +384000 ekin = 1.81972884480726 | erot = 1.81808771261089 | epot = -12.0124395911108 | etot = -8.37462303369263 +385000 ekin = 1.78192764777005 | erot = 1.88463133786802 | epot = -12.0411820195034 | etot = -8.37462303386534 +386000 ekin = 1.73896117301569 | erot = 1.94830024178261 | epot = -12.061884448782 | etot = -8.37462303398369 +387000 ekin = 1.69261703956642 | erot = 2.00550933075481 | epot = -12.0727494044588 | etot = -8.37462303413753 +388000 ekin = 1.64442362565048 | erot = 2.05290262288317 | epot = -12.0719492828242 | etot = -8.37462303429059 +389000 ekin = 1.59562809726325 | erot = 2.08769097010279 | epot = -12.0579421017207 | etot = -8.37462303435467 +390000 ekin = 1.54727258078821 | erot = 2.10804034822076 | epot = -12.0299359634157 | etot = -8.37462303440669 +391000 ekin = 1.500426686893 | erot = 2.11301685840315 | epot = -11.9880665795767 | etot = -8.37462303428053 +392000 ekin = 1.45669956782719 | erot = 2.10352612084123 | epot = -11.934848722606 | etot = -8.37462303393755 +393000 ekin = 1.41857599109124 | erot = 2.08263213471655 | epot = -11.8758311592018 | etot = -8.37462303339403 +394000 ekin = 1.38932612627926 | erot = 2.05528425943725 | epot = -11.8192334184644 | etot = -8.37462303274791 +395000 ekin = 1.37246101478471 | erot = 2.0273931942745 | epot = -11.7744772412175 | etot = -8.37462303215831 +396000 ekin = 1.37078907987893 | erot = 2.00445159240829 | epot = -11.7498637040834 | etot = -8.37462303179614 +397000 ekin = 1.38538853999881 | erot = 1.99011302537741 | epot = -11.7501245971575 | etot = -8.37462303178123 +398000 ekin = 1.4149053116158 | erot = 1.98519641778469 | epot = -11.7747247615385 | etot = -8.37462303213797 +399000 ekin = 1.45547085036172 | erot = 1.98743025594808 | epot = -11.8175241391037 | etot = -8.37462303279393 +400000 ekin = 1.50126526406456 | erot = 1.99196444869353 | epot = -11.8678527463702 | etot = -8.37462303361212 +401000 ekin = 1.54549713891325 | erot = 1.99242148352504 | epot = -11.9125416568747 | etot = -8.37462303443636 +402000 ekin = 1.58148802753225 | erot = 1.98217540610689 | epot = -11.9382864687602 | etot = -8.37462303512109 +403000 ekin = 1.60364407572636 | erot = 1.95563446459617 | epot = -11.9339015758631 | etot = -8.3746230355406 +404000 ekin = 1.6082371823126 | erot = 1.90940860689276 | epot = -11.892268824805 | etot = -8.37462303559961 +405000 ekin = 1.59393186875248 | erot = 1.84321418438886 | epot = -11.8117690883987 | etot = -8.37462303525732 +406000 ekin = 1.56197926550313 | erot = 1.76026394072503 | epot = -11.696866240784 | etot = -8.37462303455581 +407000 ekin = 1.51595319782147 | erot = 1.66689496115735 | epot = -11.5574711925993 | etot = -8.37462303362048 +408000 ekin = 1.46103089398893 | erot = 1.57144700034909 | epot = -11.4071009269586 | etot = -8.37462303262061 +409000 ekin = 1.40302353808045 | erot = 1.48274963105546 | epot = -11.2603962008488 | etot = -8.37462303171285 +410000 ekin = 1.34747963365107 | erot = 1.40871679572804 | epot = -11.1308194603699 | etot = -8.37462303099076 +411000 ekin = 1.24142842922053 | erot = 1.36765891029395 | epot = -10.9837103545531 | etot = -8.37462301503866 +412000 ekin = 1.07606206464602 | erot = 1.44463891809268 | epot = -10.8953239884568 | etot = -8.37462300571809 +413000 ekin = 1.04694922469337 | erot = 1.5110260061357 | epot = -10.9325982588148 | etot = -8.3746230279857 +414000 ekin = 1.03606467090053 | erot = 1.52895884328951 | epot = -10.9396465423127 | etot = -8.37462302812265 +415000 ekin = 1.03698178421644 | erot = 1.56970634086251 | epot = -10.9813111534857 | etot = -8.37462302840673 +416000 ekin = 1.04842794421315 | erot = 1.63005774223267 | epot = -11.0531087152535 | etot = -8.37462302880764 +417000 ekin = 1.06841333535245 | erot = 1.70571770479165 | epot = -11.1487540694376 | etot = -8.37462302929345 +418000 ekin = 1.0944470100467 | erot = 1.79158405306303 | epot = -11.2606540929472 | etot = -8.37462302983752 +419000 ekin = 1.12371544112636 | erot = 1.88200392342451 | epot = -11.3803423949661 | etot = -8.37462303041528 +420000 ekin = 1.15322596863313 | erot = 1.9710395694794 | epot = -11.498888569108 | etot = -8.37462303099545 +421000 ekin = 1.17996638669817 | erot = 2.05281125535677 | epot = -11.6074006735849 | etot = -8.37462303152993 +422000 ekin = 1.20115062980762 | erot = 2.12197272518036 | epot = -11.6977463869409 | etot = -8.37462303195293 +423000 ekin = 1.2145687934241 | erot = 2.17429924607344 | epot = -11.7634910716948 | etot = -8.37462303219724 +424000 ekin = 1.21895541018511 | erot = 2.20725430505659 | epot = -11.8008327474639 | etot = -8.37462303222225 +425000 ekin = 1.21420953470501 | erot = 2.22030001431169 | epot = -11.8091325810581 | etot = -8.37462303204139 +426000 ekin = 1.20134505265621 | erot = 2.21476142815237 | epot = -11.7907295125147 | etot = -8.3746230317061 +427000 ekin = 1.18219319315261 | erot = 2.19340434237043 | epot = -11.7502205668128 | etot = -8.37462303128977 +428000 ekin = 1.15899921940807 | erot = 2.15981652250199 | epot = -11.6934387727675 | etot = -8.37462303085739 +429000 ekin = 1.13415683500719 | erot = 2.11790831243447 | epot = -11.6266881762577 | etot = -8.37462302881602 +430000 ekin = 1.11403963820914 | erot = 2.07460238347597 | epot = -11.5632650504451 | etot = -8.37462302876001 +431000 ekin = 1.10124843427921 | erot = 2.03325324116416 | epot = -11.5091247042108 | etot = -8.37462302876746 +432000 ekin = 1.09509673682045 | erot = 1.99414694703891 | epot = -11.4638667126951 | etot = -8.37462302883571 +433000 ekin = 1.09463609314644 | erot = 1.95711348582559 | epot = -11.4263726079153 | etot = -8.3746230289433 +434000 ekin = 1.09809472012996 | erot = 1.92111283570137 | epot = -11.3938305852117 | etot = -8.37462302938034 +435000 ekin = 1.10341624338861 | erot = 1.88492142830579 | epot = -11.3629607010994 | etot = -8.37462302940498 +436000 ekin = 1.11020757162892 | erot = 1.84854231976133 | epot = -11.3333729208394 | etot = -8.37462302944915 +437000 ekin = 1.11803889537834 | erot = 1.81186902511391 | epot = -11.3045309500004 | etot = -8.37462302950811 +438000 ekin = 1.12642172160336 | erot = 1.77470718112056 | epot = -11.2757519322974 | etot = -8.37462302957345 +439000 ekin = 1.13485148153982 | erot = 1.73686282079598 | epot = -11.2463373319689 | etot = -8.37462302963315 +440000 ekin = 1.14287335820677 | erot = 1.6982607950729 | epot = -11.2157571829518 | etot = -8.37462302967209 +441000 ekin = 1.15016795453108 | erot = 1.65908318343076 | epot = -11.1838741676317 | etot = -8.37462302966984 +442000 ekin = 1.15664284201572 | erot = 1.61992313518224 | epot = -11.1511890068215 | etot = -8.37462302962353 +443000 ekin = 1.16253418069083 | erot = 1.58179210099427 | epot = -11.1189493112074 | etot = -8.37462302952227 +444000 ekin = 1.16846798531313 | erot = 1.54614466613206 | epot = -11.0892356808142 | etot = -8.37462302936903 +445000 ekin = 1.17546820346648 | erot = 1.51479732960813 | epot = -11.0648885622537 | etot = -8.37462302917911 +446000 ekin = 1.18488743024697 | erot = 1.48973802087996 | epot = -11.0492484801072 | etot = -8.37462302898023 +447000 ekin = 1.19824347153636 | erot = 1.4728428998025 | epot = -11.0457094001486 | etot = -8.37462302880978 +448000 ekin = 1.21696535091544 | erot = 1.46554765995196 | epot = -11.0571360395779 | etot = -8.37462302871048 +449000 ekin = 1.24207954598539 | erot = 1.46851271093431 | epot = -11.0852152856395 | etot = -8.37462302871984 +450000 ekin = 1.27389445230343 | erot = 1.48136016741854 | epot = -11.1298776485921 | etot = -8.37462302887016 +451000 ekin = 1.31179903842818 | erot = 1.50255470267311 | epot = -11.1889767701115 | etot = -8.37462302901019 +452000 ekin = 1.35460859520422 | erot = 1.52989164326772 | epot = -11.2591232679044 | etot = -8.37462302943242 +453000 ekin = 1.39989469250132 | erot = 1.55983588432389 | epot = -11.3343536067643 | etot = -8.37462302993904 +454000 ekin = 1.44437957549653 | erot = 1.58822152329642 | epot = -11.4072241292509 | etot = -8.37462303045796 +455000 ekin = 1.48456015878253 | erot = 1.61103616004163 | epot = -11.470219349728 | etot = -8.37462303090384 +456000 ekin = 1.51733329615388 | erot = 1.62510652435232 | epot = -11.5170628516965 | etot = -8.37462303119029 +457000 ekin = 1.54029245797727 | erot = 1.62854015385607 | epot = -11.5434556431081 | etot = -8.37462303127478 +458000 ekin = 1.55209787062893 | erot = 1.62122255615467 | epot = -11.5479434578297 | etot = -8.37462303104612 +459000 ekin = 1.55414659187908 | erot = 1.60571991112906 | epot = -11.5344895335906 | etot = -8.3746230305825 +460000 ekin = 1.54960099436993 | erot = 1.58640018749931 | epot = -11.5106242118358 | etot = -8.37462302996659 +461000 ekin = 1.54273124225058 | erot = 1.56872252266522 | epot = -11.4860767942407 | etot = -8.37462302932495 +462000 ekin = 1.53795589449209 | erot = 1.55825929919719 | epot = -11.4708382224939 | etot = -8.37462302880462 +463000 ekin = 1.53875903308017 | erot = 1.55959299575885 | epot = -11.4729750573655 | etot = -8.37462302852646 +464000 ekin = 1.54682029511825 | erot = 1.57534186894967 | epot = -11.4967851926235 | etot = -8.37462302855557 +465000 ekin = 1.56162946502409 | erot = 1.60564212072992 | epot = -11.5418946146263 | etot = -8.37462302887232 +466000 ekin = 1.58070265304198 | erot = 1.64822662156059 | epot = -11.6035523039855 | etot = -8.37462302938297 +467000 ekin = 1.60035208027159 | erot = 1.69905719078914 | epot = -11.6740323010087 | etot = -8.37462302994799 +468000 ekin = 1.61673623107193 | erot = 1.75335443246648 | epot = -11.7447136939685 | etot = -8.37462303043008 +469000 ekin = 1.62683085006995 | erot = 1.80670922025537 | epot = -11.8081631010546 | etot = -8.37462303072931 +470000 ekin = 1.62907239972644 | erot = 1.8559658402397 | epot = -11.859661270774 | etot = -8.37462303080784 +471000 ekin = 1.62354687373205 | erot = 1.89966129170666 | epot = -11.8978311961309 | etot = -8.37462303069216 +472000 ekin = 1.61170510379534 | erot = 1.93800410340994 | epot = -11.924332237645 | etot = -8.37462303043972 +473000 ekin = 1.59590324451053 | erot = 1.97246730641883 | epot = -11.9429935810557 | etot = -8.3746230301263 +474000 ekin = 1.57886523181425 | erot = 2.00526149881272 | epot = -11.9587497604451 | etot = -8.37462302981809 +475000 ekin = 1.56312071579209 | erot = 2.03882982960113 | epot = -11.9765735749591 | etot = -8.3746230295659 +476000 ekin = 1.55063074695432 | erot = 2.07545668636699 | epot = -12.0007104627111 | etot = -8.37462302938983 +477000 ekin = 1.54263588411163 | erot = 2.11704231171848 | epot = -12.0343012251317 | etot = -8.37462302930159 +478000 ekin = 1.53956151542339 | erot = 2.16493101564523 | epot = -12.0791155603743 | etot = -8.37462302930564 +479000 ekin = 1.54104337298282 | erot = 2.21977101926569 | epot = -12.1354374216528 | etot = -8.37462302940429 +480000 ekin = 1.546009760973 | erot = 2.28138261399161 | epot = -12.2020154045604 | etot = -8.37462302959578 +481000 ekin = 1.55280606025074 | erot = 2.34867771787686 | epot = -12.2761068079942 | etot = -8.37462302986658 +482000 ekin = 1.55937339635063 | erot = 2.41971772769978 | epot = -12.3537141542343 | etot = -8.37462303018394 +483000 ekin = 1.56350104453064 | erot = 2.49198464321598 | epot = -12.4301087182424 | etot = -8.37462303049574 +484000 ekin = 1.56314467772891 | erot = 2.56280026279411 | epot = -12.5005679712712 | etot = -8.37462303074813 +485000 ekin = 1.55677099189746 | erot = 2.62990187864032 | epot = -12.5612959014211 | etot = -8.37462303088329 +486000 ekin = 1.54362230241928 | erot = 2.69196691950622 | epot = -12.6102122528177 | etot = -8.37462303089216 +487000 ekin = 1.52381043792147 | erot = 2.74866369544547 | epot = -12.6470971641652 | etot = -8.37462303079828 +488000 ekin = 1.49822858844546 | erot = 2.8004132279429 | epot = -12.6732648470389 | etot = -8.37462303065053 +489000 ekin = 1.46832177711314 | erot = 2.84792010719542 | epot = -12.6908649148109 | etot = -8.37462303050238 +490000 ekin = 1.43580907601253 | erot = 2.89167668868852 | epot = -12.702108795094 | etot = -8.37462303039295 +491000 ekin = 1.4024462649876 | erot = 2.93162068131834 | epot = -12.7086899766444 | etot = -8.37462303033848 +492000 ekin = 1.36987596423633 | erot = 2.96703118869674 | epot = -12.7115301832664 | etot = -8.37462303033337 +493000 ekin = 1.33956200675841 | erot = 2.99664446240428 | epot = -12.7108294995239 | etot = -8.37462303036122 +494000 ekin = 1.31276816321137 | erot = 3.0188980455283 | epot = -12.7062892391461 | etot = -8.37462303040639 +495000 ekin = 1.29052832589742 | erot = 3.03218505525729 | epot = -12.6973364116178 | etot = -8.37462303046307 +496000 ekin = 1.27356858864304 | erot = 3.03502298578847 | epot = -12.6832146049698 | etot = -8.37462303053831 +497000 ekin = 1.26217859738771 | erot = 3.02610963124414 | epot = -12.6629112592754 | etot = -8.37462303064359 +498000 ekin = 1.25609176092199 | erot = 3.00437387243302 | epot = -12.6350886640761 | etot = -8.37462303072111 +499000 ekin = 1.25448433543904 | erot = 2.96925958210228 | epot = -12.5983669484037 | etot = -8.37462303086234 +500000 ekin = 1.25592311954784 | erot = 2.92052794168892 | epot = -12.5510740922098 | etot = -8.37462303097309 +501000 ekin = 1.25866262015633 | erot = 2.85877857413965 | epot = -12.4920642252969 | etot = -8.37462303100093 +502000 ekin = 1.26101030104304 | erot = 2.78589367848072 | epot = -12.421527010429 | etot = -8.37462303090524 +503000 ekin = 1.26168224098459 | erot = 2.70525686266326 | epot = -12.3415621343214 | etot = -8.37462303067356 +504000 ekin = 1.2600687527343 | erot = 2.62162663922347 | epot = -12.2563184222917 | etot = -8.37462303033394 +505000 ekin = 1.25635230634784 | erot = 2.54066101851092 | epot = -12.1716363547773 | etot = -8.3746230299186 +506000 ekin = 1.25147361583878 | erot = 2.46829686832302 | epot = -12.0943935136549 | etot = -8.37462302949308 +507000 ekin = 1.24695832252944 | erot = 2.40991559866175 | epot = -12.03149695032 | etot = -8.37462302912881 +508000 ekin = 1.24460011262455 | erot = 2.36947588934127 | epot = -11.9886990309749 | etot = -8.37462302900906 +509000 ekin = 1.24584437165595 | erot = 2.34837731731007 | epot = -11.9688447179601 | etot = -8.37462302899406 +510000 ekin = 1.2517204112405 | erot = 2.34550382347298 | epot = -11.9718472639398 | etot = -8.37462302922633 +511000 ekin = 1.26248317251299 | erot = 2.35680066397777 | epot = -11.9939068662003 | etot = -8.37462302970952 +512000 ekin = 1.27739486770651 | erot = 2.37529788848864 | epot = -12.0273157865898 | etot = -8.3746230303947 +513000 ekin = 1.29481021505335 | erot = 2.39185405428688 | epot = -12.0612873005158 | etot = -8.37462303117561 +514000 ekin = 1.31250889880663 | erot = 2.39651406028005 | epot = -12.0836459909827 | etot = -8.37462303189606 +515000 ekin = 1.3282505258172 | erot = 2.38037057727134 | epot = -12.0832441354637 | etot = -8.37462303237514 +516000 ekin = 1.34045831429047 | erot = 2.3376026799616 | epot = -12.0526840267099 | etot = -8.37462303245782 +517000 ekin = 1.34883924084139 | erot = 2.26713155446507 | epot = -11.9905938273839 | etot = -8.37462303207746 +518000 ekin = 1.35468550683532 | erot = 2.1732612700939 | epot = -11.9025698082252 | etot = -8.37462303129602 +519000 ekin = 1.36067339623777 | erot = 2.06494828518385 | epot = -11.8002447117104 | etot = -8.37462303028879 +520000 ekin = 1.37018582822041 | erot = 1.95390329839677 | epot = -11.6987121558955 | etot = -8.3746230292783 +521000 ekin = 1.38639579379635 | erot = 1.85221057844755 | epot = -11.6132294007042 | etot = -8.37462302846028 +522000 ekin = 1.41141432489743 | erot = 1.77022445537223 | epot = -11.556261808228 | etot = -8.37462302795837 +523000 ekin = 1.44572356452415 | erot = 1.71520045873996 | epot = -11.5355470510809 | etot = -8.37462302781681 +524000 ekin = 1.48798145408556 | erot = 1.69073008320913 | epot = -11.5533345653098 | etot = -8.37462302801515 +525000 ekin = 1.53517683780364 | erot = 1.69680296066522 | epot = -11.6066028269625 | etot = -8.37462302849367 +526000 ekin = 1.58304900117776 | erot = 1.73025509478009 | epot = -11.6879271251317 | etot = -8.37462302917388 +527000 ekin = 1.62665879647842 | erot = 1.78540941266435 | epot = -11.7866912391139 | etot = -8.37462302997112 +528000 ekin = 1.66100783107272 | erot = 1.85480654805457 | epot = -11.8904374099264 | etot = -8.37462303079917 +529000 ekin = 1.68163863411252 | erot = 1.93001159415133 | epot = -11.986273259831 | etot = -8.37462303156715 +530000 ekin = 1.68518623025763 | erot = 2.00252460867122 | epot = -12.0623338711093 | etot = -8.37462303218049 +531000 ekin = 1.66986059684322 | erot = 2.06478669657164 | epot = -12.1092703259641 | etot = -8.37462303254921 +532000 ekin = 1.63581226894962 | erot = 2.11116679185565 | epot = -12.1216020934158 | etot = -8.37462303261058 +533000 ekin = 1.58529617176643 | erot = 2.13870511839619 | epot = -12.098624322515 | etot = -8.37462303235236 +534000 ekin = 1.5225456409459 | erot = 2.14737698823518 | epot = -12.0445456610046 | etot = -8.37462303182352 +535000 ekin = 1.45332420575898 | erot = 2.13977370494377 | epot = -11.9677209418254 | etot = -8.37462303112265 +536000 ekin = 1.38421691010833 | erot = 2.12031314070643 | epot = -11.8791530811833 | etot = -8.3746230303685 +537000 ekin = 1.32180342898888 | erot = 2.09425520394361 | epot = -11.7906816626022 | etot = -8.3746230296697 +538000 ekin = 1.27187743419507 | erot = 2.06681107588574 | epot = -11.713311539185 | etot = -8.37462302910418 +539000 ekin = 1.23883846278406 | erot = 2.04251647932952 | epot = -11.6559779708291 | etot = -8.37462302871551 +540000 ekin = 1.22531302702205 | erot = 2.02488499741709 | epot = -11.6248210529601 | etot = -8.37462302852096 +541000 ekin = 1.23199882289896 | erot = 2.01625749303218 | epot = -11.6228793444531 | etot = -8.37462302852198 +542000 ekin = 1.25769219449867 | erot = 2.01774880493445 | epot = -11.6500640281429 | etot = -8.37462302870979 +543000 ekin = 1.29945731405898 | erot = 2.02924170400448 | epot = -11.7033220471294 | etot = -8.37462302906594 +544000 ekin = 1.35291512120938 | erot = 2.04944893324945 | epot = -11.7769870840134 | etot = -8.37462302955459 +545000 ekin = 1.41265384121013 | erot = 2.07611668221351 | epot = -11.8633935535405 | etot = -8.37462303011689 +546000 ekin = 1.47277167574226 | erot = 2.10644216878695 | epot = -11.9538368751978 | etot = -8.37462303066857 +547000 ekin = 1.52754093318812 | erot = 2.1377046882704 | epot = -12.0398686525721 | etot = -8.37462303111358 +548000 ekin = 1.57213155238435 | erot = 2.16798237174586 | epot = -12.1147369554979 | etot = -8.3746230313677 +549000 ekin = 1.60327488859358 | erot = 2.19671767494249 | epot = -12.1746155949228 | etot = -8.37462303138678 +550000 ekin = 1.61972434377051 | erot = 2.22489244331976 | epot = -12.2192398182714 | etot = -8.37462303118114 +551000 ekin = 1.62240013871266 | erot = 2.25470593134778 | epot = -12.2517291008734 | etot = -8.37462303081292 +552000 ekin = 1.61417495563575 | erot = 2.28884205645968 | epot = -12.2776400424743 | etot = -8.37462303037886 +553000 ekin = 1.59932782093367 | erot = 2.32954987376782 | epot = -12.3035007246893 | etot = -8.37462302998778 +554000 ekin = 1.58274599068694 | erot = 2.37778817612377 | epot = -12.335157196551 | etot = -8.37462302974027 +555000 ekin = 1.56899856387336 | erot = 2.43263226771025 | epot = -12.3762538612928 | etot = -8.37462302970921 +556000 ekin = 1.56145041160178 | erot = 2.49106505510944 | epot = -12.4271384966351 | etot = -8.37462302992391 +557000 ekin = 1.56197837221472 | erot = 2.54829507222914 | epot = -12.4848964746666 | etot = -8.37462303022272 +558000 ekin = 1.57029216554694 | erot = 2.59810209181726 | epot = -12.5430172882317 | etot = -8.37462303086749 +559000 ekin = 1.58339818323854 | erot = 2.63367391510857 | epot = -12.5916951298834 | etot = -8.37462303153627 +560000 ekin = 1.5971277048411 | erot = 2.64904697988052 | epot = -12.6207977168329 | etot = -8.37462303211133 +561000 ekin = 1.60698123346032 | erot = 2.6400968389395 | epot = -12.6217011048881 | etot = -8.37462303248833 +562000 ekin = 1.60896027784962 | erot = 2.6053270012035 | epot = -12.5889103116457 | etot = -8.37462303259261 +563000 ekin = 1.60023696635641 | erot = 2.54649193869282 | epot = -12.5213519373678 | etot = -8.37462303231855 +564000 ekin = 1.57955774679436 | erot = 2.46891092806133 | epot = -12.4230917066839 | etot = -8.37462303182822 +565000 ekin = 1.54734561568422 | erot = 2.38031455632197 | epot = -12.3022832031139 | etot = -8.37462303110775 +566000 ekin = 1.50554468555614 | erot = 2.29049479450585 | epot = -12.170662510309 | etot = -8.37462303024699 +567000 ekin = 1.45732250665802 | erot = 2.21025028826866 | epot = -12.0421958242756 | etot = -8.37462302934893 +568000 ekin = 1.40671207380869 | erot = 2.15003703754034 | epot = -11.9313721399072 | etot = -8.37462302855815 +569000 ekin = 1.35794157948555 | erot = 2.11775595088059 | epot = -11.8503205583542 | etot = -8.37462302798802 +570000 ekin = 1.31523212118133 | erot = 2.11799693944399 | epot = -11.8078520883715 | etot = -8.37462302774614 +571000 ekin = 1.28243871603171 | erot = 2.15081941194262 | epot = -11.8078811559362 | etot = -8.37462302796181 +572000 ekin = 1.26220633016967 | erot = 2.21027034250997 | epot = -11.8470997013693 | etot = -8.37462302868969 +573000 ekin = 1.25525341532478 | erot = 2.28456705416222 | epot = -11.9144434992767 | etot = -8.37462302978965 +574000 ekin = 1.26030251431118 | erot = 2.35813787036682 | epot = -11.9930634156596 | etot = -8.37462303098163 +575000 ekin = 1.2747321562012 | erot = 2.41511328226935 | epot = -12.0644684704057 | etot = -8.37462303193517 +576000 ekin = 1.29562562243032 | erot = 2.44294920216243 | epot = -12.1131978570819 | etot = -8.37462303248916 +577000 ekin = 1.32065634429477 | erot = 2.43438586779435 | epot = -12.1296652446647 | etot = -8.3746230325756 +578000 ekin = 1.34847271373188 | erot = 2.3880449856766 | epot = -12.1111407316826 | etot = -8.3746230322741 +579000 ekin = 1.37859640729612 | erot = 2.30759327887891 | epot = -12.0608127179027 | etot = -8.37462303172765 +580000 ekin = 1.41115339285065 | erot = 2.2001618841045 | epot = -11.9859383079095 | etot = -8.37462303095433 +581000 ekin = 1.44674776514281 | erot = 2.07475133366466 | epot = -11.8961221291487 | etot = -8.37462303034121 +582000 ekin = 1.48514821809916 | erot = 1.94050793883156 | epot = -11.8002791867221 | etot = -8.37462302979136 +583000 ekin = 1.52576266955382 | erot = 1.80603709649357 | epot = -11.7064227953868 | etot = -8.37462302933942 +584000 ekin = 1.56772288057648 | erot = 1.67887072895879 | epot = -11.6212166385388 | etot = -8.37462302900352 +585000 ekin = 1.60990333959317 | erot = 1.56509115870017 | epot = -11.5496175270895 | etot = -8.37462302879619 +586000 ekin = 1.65096359832512 | erot = 1.46905708280604 | epot = -11.4946437098573 | etot = -8.37462302872612 +587000 ekin = 1.68940411635217 | erot = 1.39319741549691 | epot = -11.4572245606452 | etot = -8.37462302879607 +588000 ekin = 1.72364170526714 | erot = 1.33790137441485 | epot = -11.4361661086779 | etot = -8.37462302899591 +589000 ekin = 1.75212209152062 | erot = 1.3015875625827 | epot = -11.4283326833787 | etot = -8.37462302927535 +590000 ekin = 1.77348776906926 | erot = 1.28111987724175 | epot = -11.4292306759265 | etot = -8.37462302961545 +591000 ekin = 1.78679652584279 | erot = 1.2722838860136 | epot = -11.4337034417696 | etot = -8.37462302991325 +592000 ekin = 1.79174476962516 | erot = 1.27074179819159 | epot = -11.4371095979238 | etot = -8.37462303010703 +593000 ekin = 1.78882244319854 | erot = 1.27295060805378 | epot = -11.4363960813967 | etot = -8.37462303014437 +594000 ekin = 1.77931579000502 | erot = 1.2768275282958 | epot = -11.4307663483269 | etot = -8.37462303002605 +595000 ekin = 1.76511936072603 | erot = 1.2819604422043 | epot = -11.4217028327285 | etot = -8.37462302979817 +596000 ekin = 1.74839643260399 | erot = 1.28931412525948 | epot = -11.4123335873949 | etot = -8.37462302953148 +597000 ekin = 1.73114837530465 | erot = 1.30076368908395 | epot = -11.4065350936836 | etot = -8.37462302929503 +598000 ekin = 1.71482586358598 | erot = 1.31808503745678 | epot = -11.4075339301912 | etot = -8.37462302914843 +599000 ekin = 1.70035612856742 | erot = 1.3425649905677 | epot = -11.417544148202 | etot = -8.37462302906685 +600000 ekin = 1.68813838897309 | erot = 1.37518403997246 | epot = -11.4379454579907 | etot = -8.37462302904513 +601000 ekin = 1.67802155272642 | erot = 1.41656361608885 | epot = -11.4692081979379 | etot = -8.37462302912259 +602000 ekin = 1.66952241263303 | erot = 1.46664302735508 | epot = -11.5107884691508 | etot = -8.37462302916268 +603000 ekin = 1.66207455080855 | erot = 1.52486246591497 | epot = -11.5615600460151 | etot = -8.37462302929162 +604000 ekin = 1.6542927442501 | erot = 1.59090716727003 | epot = -11.6198229409115 | etot = -8.37462302939132 +605000 ekin = 1.64513458460873 | erot = 1.6645196317729 | epot = -11.68427724585 | etot = -8.37462302946837 +606000 ekin = 1.63397297141762 | erot = 1.74533329764818 | epot = -11.7539292986251 | etot = -8.37462302955928 +607000 ekin = 1.62046446185494 | erot = 1.83246852419231 | epot = -11.8275560158102 | etot = -8.37462302976293 +608000 ekin = 1.60415138614545 | erot = 1.92384516554779 | epot = -11.9026195817789 | etot = -8.37462303008567 +609000 ekin = 1.58416607276472 | erot = 2.01562004721176 | epot = -11.974409150686 | etot = -8.37462303070949 +610000 ekin = 1.55892234883736 | erot = 2.10126039812532 | epot = -12.0348057783656 | etot = -8.37462303140292 +611000 ekin = 1.52586403281539 | erot = 2.17351542350509 | epot = -12.0740024883685 | etot = -8.37462303204803 +612000 ekin = 1.4825279678083 | erot = 2.22604744671983 | epot = -12.0831984469278 | etot = -8.37462303239972 +613000 ekin = 1.42777710477443 | erot = 2.25549715887384 | epot = -12.057897295914 | etot = -8.37462303226575 +614000 ekin = 1.36284302675892 | erot = 2.26309761369493 | epot = -12.0005636720726 | etot = -8.3746230316187 +615000 ekin = 1.29166682111418 | erot = 2.25472033318116 | epot = -11.9210101849095 | etot = -8.37462303061415 +616000 ekin = 1.22033159945645 | erot = 2.23929049961803 | epot = -11.8342451285797 | etot = -8.3746230295052 +617000 ekin = 1.15585313012806 | erot = 2.22643765865191 | epot = -11.7569138173069 | etot = -8.37462302852692 +618000 ekin = 1.10482633868281 | erot = 2.22445549381317 | epot = -11.703904860323 | etot = -8.37462302782702 +619000 ekin = 1.07233800595233 | erot = 2.23915844398183 | epot = -11.686119477403 | etot = -8.37462302746885 +620000 ekin = 1.06133969547929 | erot = 2.27356598267652 | epot = -11.7095287055701 | etot = -8.37462302741426 +621000 ekin = 1.07250328125059 | erot = 2.3282764043955 | epot = -11.7754027132591 | etot = -8.37462302761301 +622000 ekin = 1.10448299243283 | erot = 2.40202886262695 | epot = -11.8811348830517 | etot = -8.37462302799193 +623000 ekin = 1.15443583438885 | erot = 2.49214268564757 | epot = -12.0212015485354 | etot = -8.37462302849902 +624000 ekin = 1.2185850449635 | erot = 2.59479979276571 | epot = -12.1880078668328 | etot = -8.37462302910356 +625000 ekin = 1.29260009291012 | erot = 2.70513041487662 | epot = -12.3723535376303 | etot = -8.37462302984353 +626000 ekin = 1.37166908699354 | erot = 2.81669294847368 | epot = -12.5629850662423 | etot = -8.37462303077506 +627000 ekin = 1.45036408324169 | erot = 2.92095656625447 | epot = -12.7459436813997 | etot = -8.37462303190359 +628000 ekin = 1.52265779656699 | erot = 3.00738157699049 | epot = -12.9046624066506 | etot = -8.37462303309307 +629000 ekin = 1.58251554244259 | erot = 3.06484099788408 | epot = -13.0219795743754 | etot = -8.37462303404871 +630000 ekin = 1.62514418880337 | erot = 3.08443014422475 | epot = -13.0841973674697 | etot = -8.37462303444157 +631000 ekin = 1.64954255052048 | erot = 3.06336922300758 | epot = -13.0875348072901 | etot = -8.37462303376204 +632000 ekin = 1.65761419155166 | erot = 3.00573585958576 | epot = -13.0379730841191 | etot = -8.37462303298165 +633000 ekin = 1.65174795094912 | erot = 2.91965232777674 | epot = -12.9460233106371 | etot = -8.37462303191122 +634000 ekin = 1.63566753659108 | erot = 2.81604656742636 | epot = -12.8263371348987 | etot = -8.37462303088127 +635000 ekin = 1.61303222685238 | erot = 2.70552755471528 | epot = -12.6931828116736 | etot = -8.37462303010594 +636000 ekin = 1.58646965557207 | erot = 2.59633719499181 | epot = -12.5574298801986 | etot = -8.37462302963469 +637000 ekin = 1.55730595137539 | erot = 2.49385627805374 | epot = -12.4257852588274 | etot = -8.37462302939823 +638000 ekin = 1.52584911626122 | erot = 2.40123459741471 | epot = -12.3017067429588 | etot = -8.37462302928287 +639000 ekin = 1.49192497641984 | erot = 2.32043250458043 | epot = -12.1869805101867 | etot = -8.37462302918644 +640000 ekin = 1.45541378442934 | erot = 2.25314232065171 | epot = -12.083179134123 | etot = -8.37462302904197 +641000 ekin = 1.4166491992725 | erot = 2.20135144254608 | epot = -11.9926236706418 | etot = -8.37462302882326 +642000 ekin = 1.37663135857252 | erot = 2.16751840710901 | epot = -11.9187727942197 | etot = -8.37462302853815 +643000 ekin = 1.33719601642867 | erot = 2.15436138730883 | epot = -11.8661804319178 | etot = -8.37462302818028 +644000 ekin = 1.30095460066298 | erot = 2.16433354914077 | epot = -11.839911177713 | etot = -8.37462302790927 +645000 ekin = 1.27009047740111 | erot = 2.19964354153021 | epot = -11.8443570466387 | etot = -8.37462302770743 +646000 ekin = 1.24673444983097 | erot = 2.26154821904857 | epot = -11.882905696521 | etot = -8.37462302764144 +647000 ekin = 1.23265873214796 | erot = 2.34972644269169 | epot = -11.957008202618 | etot = -8.37462302777833 +648000 ekin = 1.22854704146518 | erot = 2.4614698466802 | epot = -12.0646399168195 | etot = -8.37462302867415 +649000 ekin = 1.23123438274848 | erot = 2.58918284108585 | epot = -12.1950402534729 | etot = -8.37462302963856 +650000 ekin = 1.23733747325548 | erot = 2.72274115028498 | epot = -12.3347016542464 | etot = -8.37462303070591 +651000 ekin = 1.24289918510312 | erot = 2.85114575373848 | epot = -12.4686679705691 | etot = -8.37462303172749 +652000 ekin = 1.24424620799598 | erot = 2.96370857037656 | epot = -12.5825778108355 | etot = -8.37462303246295 +653000 ekin = 1.23918232850118 | erot = 3.05217314601573 | epot = -12.6659785072745 | etot = -8.37462303275754 +654000 ekin = 1.22772861478185 | erot = 3.11212236727186 | epot = -12.7144740146721 | etot = -8.37462303261837 +655000 ekin = 1.21201905901883 | erot = 3.14303840850265 | epot = -12.7296804997141 | etot = -8.37462303219263 +656000 ekin = 1.19543744331557 | erot = 3.1472043556272 | epot = -12.717264830612 | etot = -8.37462303166922 +657000 ekin = 1.1814930510954 | erot = 3.12826014298738 | epot = -12.6843762252665 | etot = -8.37462303118371 +658000 ekin = 1.17296379523421 | erot = 3.09016086418898 | epot = -12.6377476902109 | etot = -8.37462303078768 +659000 ekin = 1.17154758060714 | erot = 3.03675236917095 | epot = -12.5829229802521 | etot = -8.37462303047405 +660000 ekin = 1.17794903030406 | erot = 2.97172379739617 | epot = -12.5242958579197 | etot = -8.37462303021945 +661000 ekin = 1.19217998583019 | erot = 2.89858436842553 | epot = -12.4653873842718 | etot = -8.37462303001611 +662000 ekin = 1.21385724620099 | erot = 2.82043608351658 | epot = -12.4089163596039 | etot = -8.3746230298863 +663000 ekin = 1.24235148674062 | erot = 2.7394870694026 | epot = -12.3564615860234 | etot = -8.37462302988019 +664000 ekin = 1.27672733538917 | erot = 2.65640554993946 | epot = -12.3077559153837 | etot = -8.37462303005511 +665000 ekin = 1.31551337033707 | erot = 2.56977925404147 | epot = -12.2599156548135 | etot = -8.37462303043493 +666000 ekin = 1.35644708325599 | erot = 2.47610382422679 | epot = -12.207173938446 | etot = -8.37462303096323 +667000 ekin = 1.39640549572047 | erot = 2.37072397306798 | epot = -12.141752500272 | etot = -8.37462303148357 +668000 ekin = 1.43167926156656 | erot = 2.24978389245032 | epot = -12.0560861858051 | etot = -8.37462303178822 +669000 ekin = 1.45855421040952 | erot = 2.11253877407092 | epot = -11.9457160162039 | etot = -8.37462303172345 +670000 ekin = 1.47395086468723 | erot = 1.9628400463752 | epot = -11.8114139423427 | etot = -8.37462303128029 +671000 ekin = 1.47583917683162 | erot = 1.80887360751575 | epot = -11.6593358149388 | etot = -8.3746230305914 +672000 ekin = 1.46334042173035 | erot = 1.66127989929634 | epot = -11.4992433508642 | etot = -8.37462302983747 +673000 ekin = 1.43665130211575 | erot = 1.53074210402186 | epot = -11.3420164352874 | etot = -8.3746230291498 +674000 ekin = 1.39696147640067 | erot = 1.42619748862819 | epot = -11.1977819936044 | etot = -8.37462302857559 +675000 ekin = 1.34640262232926 | erot = 1.35413730296204 | epot = -11.0751629533971 | etot = -8.37462302810579 +676000 ekin = 1.28794616798706 | erot = 1.31873912036748 | epot = -10.981308316076 | etot = -8.37462302772149 +677000 ekin = 1.22516961113619 | erot = 1.32230065785723 | epot = -10.9220932964151 | etot = -8.37462302742172 +678000 ekin = 1.16189722956171 | erot = 1.36556643964961 | epot = -10.9020866964405 | etot = -8.37462302722917 +679000 ekin = 1.10179124610589 | erot = 1.44777635005946 | epot = -10.9241906233509 | etot = -8.37462302718558 +680000 ekin = 1.04797419609929 | erot = 1.56642353033359 | epot = -10.9890207537779 | etot = -8.37462302734499 +681000 ekin = 1.00272279861842 | erot = 1.71676662165668 | epot = -11.0941124480449 | etot = -8.37462302776983 +682000 ekin = 0.96723882583355 | erot = 1.89118238721898 | epot = -11.2330442415684 | etot = -8.37462302851591 +683000 ekin = 0.941511133139624 | erot = 2.07856636776108 | epot = -11.394700530499 | etot = -8.37462302959834 +684000 ekin = 0.924337639155355 | erot = 2.26421473255812 | epot = -11.5631754026496 | etot = -8.37462303093609 +685000 ekin = 0.913629093894914 | erot = 2.43080490184677 | epot = -11.719057028052 | etot = -8.37462303231027 +686000 ekin = 0.907072709279063 | erot = 2.56090643970371 | epot = -11.8426021823784 | etot = -8.37462303339564 +687000 ekin = 0.903027970995986 | erot = 2.64065323919292 | epot = -11.9183042440809 | etot = -8.374623033892 +688000 ekin = 0.901265997344289 | erot = 2.66315283569445 | epot = -11.9390418667247 | etot = -8.37462303368598 +689000 ekin = 0.90312729140811 | erot = 2.62989920645488 | epot = -11.907649530774 | etot = -8.37462303291098 +690000 ekin = 0.911003410958121 | erot = 2.54949432637527 | epot = -11.8351207691849 | etot = -8.37462303185154 +691000 ekin = 0.927482290190993 | erot = 2.43458909338556 | epot = -11.7366944143598 | etot = -8.37462303078327 +692000 ekin = 0.954629968072412 | erot = 2.29871133600685 | epot = -11.6279643339253 | etot = -8.37462302984608 +693000 ekin = 0.993689842529491 | erot = 2.15457291085937 | epot = -11.5228857826033 | etot = -8.37462302921447 +694000 ekin = 1.04477766673772 | erot = 2.01224824492835 | epot = -11.431648940443 | etot = -8.37462302877689 +695000 ekin = 1.10717972557134 | erot = 1.87902519878731 | epot = -11.3608279528648 | etot = -8.37462302850611 +696000 ekin = 1.17962988090899 | erot = 1.76021636433897 | epot = -11.3144692736299 | etot = -8.37462302838191 +697000 ekin = 1.26034508063448 | erot = 1.65939331951338 | epot = -11.2943614285427 | etot = -8.37462302839486 +698000 ekin = 1.3470063414454 | erot = 1.57856058321642 | epot = -11.3001899532003 | etot = -8.3746230285385 +699000 ekin = 1.43673776969177 | erot = 1.51829388887638 | epot = -11.3296546873713 | etot = -8.37462302880314 +700000 ekin = 1.52614311401997 | erot = 1.47788597100976 | epot = -11.3786521141988 | etot = -8.37462302916904 +701000 ekin = 1.61113170991832 | erot = 1.45542937144956 | epot = -11.441184111157 | etot = -8.37462302978916 +702000 ekin = 1.68654811958763 | erot = 1.4477483514156 | epot = -11.5089195013157 | etot = -8.37462303031242 +703000 ekin = 1.74804176728602 | erot = 1.45137774868857 | epot = -11.5740425467242 | etot = -8.37462303074958 +704000 ekin = 1.79223863052492 | erot = 1.46326677109846 | epot = -11.6301284326331 | etot = -8.3746230310097 +705000 ekin = 1.81722742452311 | erot = 1.48152907264936 | epot = -11.673379528207 | etot = -8.37462303103458 +706000 ekin = 1.82282717413898 | erot = 1.50598222611714 | epot = -11.7034324310832 | etot = -8.3746230308271 +707000 ekin = 1.81047570468772 | erot = 1.53820736294009 | epot = -11.7233060980815 | etot = -8.37462303045367 +708000 ekin = 1.782768284984 | erot = 1.58105495041898 | epot = -11.738446265421 | etot = -8.37462303001798 +709000 ekin = 1.74282721673902 | erot = 1.63779752307016 | epot = -11.7552477694259 | etot = -8.37462302961672 +710000 ekin = 1.69374790025168 | erot = 1.71129566721375 | epot = -11.7796665967699 | etot = -8.37462302930447 +711000 ekin = 1.63830193402269 | erot = 1.80347448195107 | epot = -11.8163994450621 | etot = -8.37462302908836 +712000 ekin = 1.57892460633575 | erot = 1.91516553831265 | epot = -11.8687131735996 | etot = -8.37462302895119 +713000 ekin = 1.51786752131641 | erot = 2.04613993379542 | epot = -11.9386304839937 | etot = -8.37462302888188 +714000 ekin = 1.45734042326248 | erot = 2.19509441543986 | epot = -12.0270578675957 | etot = -8.37462302889338 +715000 ekin = 1.39951776249161 | erot = 2.35946536290658 | epot = -12.1336061544181 | etot = -8.37462302901989 +716000 ekin = 1.34639246829257 | erot = 2.53511986593063 | epot = -12.2561353635231 | etot = -8.37462302929987 +717000 ekin = 1.29955432269653 | erot = 2.71613012093776 | epot = -12.3903074733622 | etot = -8.37462302972791 +718000 ekin = 1.25989829926672 | erot = 2.89465680801553 | epot = -12.5291781376648 | etot = -8.37462303038252 +719000 ekin = 1.22750607428707 | erot = 3.06092665837673 | epot = -12.663055763813 | etot = -8.37462303114923 +720000 ekin = 1.20188187065045 | erot = 3.20425006661911 | epot = -12.7807549692082 | etot = -8.37462303193865 +721000 ekin = 1.18220717981637 | erot = 3.31414882430528 | epot = -12.8709790367385 | etot = -8.37462303261682 +722000 ekin = 1.167746084253 | erot = 3.38185582435258 | epot = -12.9242249416936 | etot = -8.37462303308801 +723000 ekin = 1.15807318395746 | erot = 3.40183188752098 | epot = -12.9345281046194 | etot = -8.37462303314091 +724000 ekin = 1.15381445066092 | erot = 3.37321067526363 | epot = -12.9016481586785 | etot = -8.37462303275395 +725000 ekin = 1.15678266075217 | erot = 3.3003667101013 | epot = -12.8317724028488 | etot = -8.37462303199533 +726000 ekin = 1.1696197829546 | erot = 3.19222682090122 | epot = -12.7364696348819 | etot = -8.37462303102604 +727000 ekin = 1.19513165177666 | erot = 3.06063268788916 | epot = -12.6303873697018 | etot = -8.37462303003595 +728000 ekin = 1.23552066619851 | erot = 2.91835949420198 | epot = -12.5285031895849 | etot = -8.37462302918443 +729000 ekin = 1.29175272903889 | erot = 2.77740116865265 | epot = -12.4437769262603 | etot = -8.3746230285688 +730000 ekin = 1.3631967531644 | erot = 2.64784734360347 | epot = -12.38566712499 | etot = -8.37462302822212 +731000 ekin = 1.4475753545511 | erot = 2.53736869406004 | epot = -12.3595670767397 | etot = -8.37462302812852 +732000 ekin = 1.54119076303258 | erot = 2.45114849797744 | epot = -12.3669622892558 | etot = -8.37462302824583 +733000 ekin = 1.63933166933537 | erot = 2.39205275844115 | epot = -12.4060074563017 | etot = -8.37462302852523 +734000 ekin = 1.73673684343545 | erot = 2.36087235952521 | epot = -12.4722322318858 | etot = -8.37462302892515 +735000 ekin = 1.82801503452905 | erot = 2.35655963727639 | epot = -12.5591977012161 | etot = -8.37462302941069 +736000 ekin = 1.90799093491543 | erot = 2.37647912514031 | epot = -12.6590930900003 | etot = -8.37462302994453 +737000 ekin = 1.97201607370513 | erot = 2.41675065087033 | epot = -12.7633897550508 | etot = -8.37462303047533 +738000 ekin = 2.01630111183775 | erot = 2.47274745431883 | epot = -12.8636715970953 | etot = -8.37462303093867 +739000 ekin = 2.0382794148672 | erot = 2.53972508205568 | epot = -12.9526275281928 | etot = -8.37462303126992 +740000 ekin = 2.03693425614143 | erot = 2.61344505992171 | epot = -13.0250023474905 | etot = -8.37462303142735 +741000 ekin = 2.01297029118197 | erot = 2.6905926898414 | epot = -13.078186012435 | etot = -8.37462303141167 +742000 ekin = 1.96872639119326 | erot = 2.76882566300566 | epot = -13.1121750854697 | etot = -8.37462303127075 +743000 ekin = 1.90780895376724 | erot = 2.84642411503796 | epot = -13.1288560998889 | etot = -8.37462303108371 +744000 ekin = 1.83452633958094 | erot = 2.92167512840821 | epot = -13.1308244989241 | etot = -8.37462303093494 +745000 ekin = 1.75327142731238 | erot = 2.99223326157179 | epot = -13.1201277197705 | etot = -8.37462303088637 +746000 ekin = 1.66800377368558 | erot = 3.05470990300409 | epot = -13.0973367076481 | etot = -8.37462303095839 +747000 ekin = 1.58193446047701 | erot = 3.10466510758295 | epot = -13.0612225991749 | etot = -8.37462303111489 +748000 ekin = 1.49744243761765 | erot = 3.1370817032622 | epot = -13.0091471721998 | etot = -8.37462303131994 +749000 ekin = 1.41618008606395 | erot = 3.14699639325504 | epot = -12.9377995108104 | etot = -8.37462303149142 +750000 ekin = 1.33927892449615 | erot = 3.13031955339586 | epot = -12.8442215094657 | etot = -8.3746230315737 +751000 ekin = 1.26755716714793 | erot = 3.08449081835569 | epot = -12.7266710170447 | etot = -8.3746230315411 +752000 ekin = 1.20166403423451 | erot = 3.00876367719806 | epot = -12.5850507428289 | etot = -8.37462303139636 +753000 ekin = 1.14214671460853 | erot = 2.90415589313793 | epot = -12.4209256389059 | etot = -8.37462303115941 +754000 ekin = 1.08946987137881 | erot = 2.77319742893274 | epot = -12.237290331163 | etot = -8.37462303085144 +755000 ekin = 1.0440339069326 | erot = 2.61963797727814 | epot = -12.0382949146963 | etot = -8.37462303048555 +756000 ekin = 1.00622473318369 | erot = 2.44820898511458 | epot = -11.8290567483663 | etot = -8.37462303006798 +757000 ekin = 0.976498427340588 | erot = 2.26449263385604 | epot = -11.61561409077 | etot = -8.3746230295734 +758000 ekin = 0.95548508197913 | erot = 2.07490082917664 | epot = -11.4050089402143 | etot = -8.37462302905851 +759000 ekin = 0.943970421426005 | erot = 1.88597944064736 | epot = -11.2045728906421 | etot = -8.37462302856878 +760000 ekin = 0.942943189110147 | erot = 1.7039167649091 | epot = -11.0214829821213 | etot = -8.37462302810203 +761000 ekin = 0.953636819945896 | erot = 1.53434362889912 | epot = -10.8626034765329 | etot = -8.3746230276879 +762000 ekin = 0.97743946369241 | erot = 1.38197793553288 | epot = -10.7340404265768 | etot = -8.3746230273515 +763000 ekin = 1.01575214955006 | erot = 1.25038414099742 | epot = -10.6407593176589 | etot = -8.37462302711139 +764000 ekin = 1.06980632712673 | erot = 1.14186552726324 | epot = -10.5862948813705 | etot = -8.37462302698054 +765000 ekin = 1.14045321588218 | erot = 1.05746802226754 | epot = -10.572544265118 | etot = -8.37462302696826 +766000 ekin = 1.22794009362295 | erot = 0.997057737149038 | epot = -10.5996208578533 | etot = -8.3746230270813 +767000 ekin = 1.33169356851996 | erot = 0.959438204850342 | epot = -10.6657548006934 | etot = -8.37462302732309 +768000 ekin = 1.45013707578519 | erot = 0.942489485960565 | epot = -10.7672495894374 | etot = -8.37462302769164 +769000 ekin = 1.58057826601931 | erot = 0.943330765780494 | epot = -10.8985320599751 | etot = -8.37462302817531 +770000 ekin = 1.71920830312909 | erot = 0.958522817522704 | epot = -11.0523541494005 | etot = -8.3746230287487 +771000 ekin = 1.86125297315597 | erot = 0.984329269154786 | epot = -11.22020527168 | etot = -8.37462302936927 +772000 ekin = 2.00111996070472 | erot = 1.01706547585556 | epot = -11.3928084666374 | etot = -8.37462303007708 +773000 ekin = 2.13179679389825 | erot = 1.05343215415002 | epot = -11.5598519787401 | etot = -8.37462303069187 +774000 ekin = 2.24724323871492 | erot = 1.09038833142067 | epot = -11.7122546013233 | etot = -8.37462303118767 +775000 ekin = 2.34263593745642 | erot = 1.12564496608115 | epot = -11.8429039350586 | etot = -8.37462303152106 +776000 ekin = 2.41469510965557 | erot = 1.15782091196235 | epot = -11.9471390532945 | etot = -8.37462303167661 +777000 ekin = 2.4619556450841 | erot = 1.18638590330911 | epot = -12.0229645800646 | etot = -8.3746230316714 +778000 ekin = 2.48471522536713 | erot = 1.21145891745681 | epot = -12.0707971743752 | etot = -8.37462303155128 +779000 ekin = 2.48466047807948 | erot = 1.23352809685664 | epot = -12.0928116063126 | etot = -8.3746230313765 +780000 ekin = 2.46428568678489 | erot = 1.25319615840711 | epot = -12.0921048763886 | etot = -8.37462303119655 +781000 ekin = 2.4263230702414 | erot = 1.2710709331522 | epot = -12.0720170344205 | etot = -8.37462303102695 +782000 ekin = 2.3734174718094 | erot = 1.28787882380252 | epot = -12.0359193264533 | etot = -8.37462303084136 +783000 ekin = 2.3081517037365 | erot = 1.30476531778341 | epot = -11.9875400521136 | etot = -8.37462303059371 +784000 ekin = 2.23331824905967 | erot = 1.32360971126966 | epot = -11.9315509905816 | etot = -8.37462303025231 +785000 ekin = 2.15217666718282 | erot = 1.34711489736925 | epot = -11.8739145943864 | etot = -8.37462302983438 +786000 ekin = 2.06843940786861 | erot = 1.37850506799765 | epot = -11.821567505275 | etot = -8.37462302940871 +787000 ekin = 1.98588342004993 | erot = 1.42085370630258 | epot = -11.7813601554279 | etot = -8.37462302907537 +788000 ekin = 1.90769396723955 | erot = 1.47626814204841 | epot = -11.7585851382104 | etot = -8.37462302892247 +789000 ekin = 1.83580155857365 | erot = 1.54525606067604 | epot = -11.7556806482382 | etot = -8.37462302898855 +790000 ekin = 1.77050160314379 | erot = 1.62653131906873 | epot = -11.7716559514595 | etot = -8.37462302924703 +791000 ekin = 1.71053482189682 | erot = 1.71731536900441 | epot = -11.8024732205211 | etot = -8.37462302961985 +792000 ekin = 1.65360852454759 | erot = 1.8139751919523 | epot = -11.8422067465096 | etot = -8.37462303000971 +793000 ekin = 1.59715988493912 | erot = 1.91273671397553 | epot = -11.8845196292482 | etot = -8.3746230303335 +794000 ekin = 1.53909469767268 | erot = 2.01023412199548 | epot = -11.9239518502218 | etot = -8.37462303055361 +795000 ekin = 1.47829524951161 | erot = 2.10382941015471 | epot = -11.9567476902912 | etot = -8.37462303062492 +796000 ekin = 1.41481662091498 | erot = 2.19194291988956 | epot = -11.9813825713715 | etot = -8.374623030567 +797000 ekin = 1.34981308251972 | erot = 2.27401207101473 | epot = -11.9984481839359 | etot = -8.37462303040142 +798000 ekin = 1.28529636433261 | erot = 2.35042093006667 | epot = -12.0103403245571 | etot = -8.37462303015777 +799000 ekin = 1.22381948476676 | erot = 2.42233570218471 | epot = -12.0207782168048 | etot = -8.3746230298533 +800000 ekin = 1.16822785389072 | erot = 2.49143438531586 | epot = -12.0342852688204 | etot = -8.3746230296138 +801000 ekin = 1.12099278645327 | erot = 2.55928816627915 | epot = -12.0549039821717 | etot = -8.37462302943928 +802000 ekin = 1.08396505816673 | erot = 2.62689447860425 | epot = -12.0854825661012 | etot = -8.37462302933024 +803000 ekin = 1.05841636962212 | erot = 2.69442631107878 | epot = -12.1274657101593 | etot = -8.37462302945839 +804000 ekin = 1.04426779803363 | erot = 2.76024770978186 | epot = -12.1791385376321 | etot = -8.37462302981661 +805000 ekin = 1.03995925235812 | erot = 2.82046254231515 | epot = -12.2350448251454 | etot = -8.37462303047209 +806000 ekin = 1.04249639916868 | erot = 2.86897163059201 | epot = -12.2860910609771 | etot = -8.37462303121639 +807000 ekin = 1.04816653318231 | erot = 2.89850351394551 | epot = -12.3212930790752 | etot = -8.37462303194734 +808000 ekin = 1.05329972434446 | erot = 2.90189493045252 | epot = -12.3298176872852 | etot = -8.37462303248817 +809000 ekin = 1.05511003120376 | erot = 2.87378175153012 | epot = -12.3035148154265 | etot = -8.37462303269267 +810000 ekin = 1.05231348653264 | erot = 2.81208782296007 | epot = -12.2390243420606 | etot = -8.37462303256789 +811000 ekin = 1.04519713630642 | erot = 2.71854122755763 | epot = -12.1383613958735 | etot = -8.37462303200948 +812000 ekin = 1.03556509624585 | erot = 2.59875418172924 | epot = -12.008942309191 | etot = -8.37462303121596 +813000 ekin = 1.0261737081031 | erot = 2.46123250530751 | epot = -11.8620292437551 | etot = -8.37462303034445 +814000 ekin = 1.01993499392849 | erot = 2.31562695732952 | epot = -11.7101849807871 | etot = -8.37462302952907 +815000 ekin = 1.01938989932849 | erot = 2.17131439145906 | epot = -11.5653273196397 | etot = -8.3746230288521 +816000 ekin = 1.02641070196203 | erot = 2.03643247736796 | epot = -11.4374662076766 | etot = -8.37462302834664 +817000 ekin = 1.04210163742137 | erot = 1.91741411154925 | epot = -11.3341387769838 | etot = -8.37462302801323 +818000 ekin = 1.06685452880261 | erot = 1.81892194074613 | epot = -11.2603994973349 | etot = -8.3746230277862 +819000 ekin = 1.10044073145319 | erot = 1.74396570054325 | epot = -11.2190294597782 | etot = -8.37462302778171 +820000 ekin = 1.14169134057103 | erot = 1.69367065620946 | epot = -11.2099850246983 | etot = -8.37462302791781 +821000 ekin = 1.18877552113715 | erot = 1.66758281680332 | epot = -11.2309813661274 | etot = -8.37462302818695 +822000 ekin = 1.23927394200174 | erot = 1.66378494636768 | epot = -11.2776819169462 | etot = -8.37462302857678 +823000 ekin = 1.29027861040395 | erot = 1.67905219550459 | epot = -11.3439538348575 | etot = -8.37462302894892 +824000 ekin = 1.33894050065628 | erot = 1.70948347744718 | epot = -11.4230470075674 | etot = -8.37462302946389 +825000 ekin = 1.3822050826929 | erot = 1.75044253327451 | epot = -11.5072706459431 | etot = -8.3746230299757 +826000 ekin = 1.41710294906386 | erot = 1.79708475162229 | epot = -11.5888107310971 | etot = -8.37462303041095 +827000 ekin = 1.4412724956138 | erot = 1.84518129440984 | epot = -11.6610768207222 | etot = -8.3746230306986 +828000 ekin = 1.45335409113255 | erot = 1.89178230943845 | epot = -11.7197594313595 | etot = -8.37462303078847 +829000 ekin = 1.45330184506794 | erot = 1.93565038624243 | epot = -11.7635752619764 | etot = -8.37462303066599 +830000 ekin = 1.44253588751545 | erot = 1.97732673247078 | epot = -11.7944856503443 | etot = -8.37462303035807 +831000 ekin = 1.42321719806458 | erot = 2.01836652042357 | epot = -11.8162067485564 | etot = -8.37462303006827 +832000 ekin = 1.39798324786665 | erot = 2.06093497414613 | epot = -11.8335412515971 | etot = -8.37462302958427 +833000 ekin = 1.37122558103672 | erot = 2.10801499205618 | epot = -11.8538636022591 | etot = -8.37462302916623 +834000 ekin = 1.347391573466 | erot = 2.16168408576612 | epot = -11.8836986881298 | etot = -8.37462302889773 +835000 ekin = 1.33033159139224 | erot = 2.22243990033192 | epot = -11.9273945205555 | etot = -8.37462302883135 +836000 ekin = 1.32279692351164 | erot = 2.28888168431024 | epot = -11.9863016368028 | etot = -8.37462302898088 +837000 ekin = 1.32614569947165 | erot = 2.35776552710305 | epot = -12.0585342558939 | etot = -8.37462302931917 +838000 ekin = 1.34030084314995 | erot = 2.42442328374081 | epot = -12.139347156672 | etot = -8.37462302978121 +839000 ekin = 1.36395770574655 | erot = 2.48350186339417 | epot = -12.2220825994143 | etot = -8.37462303027354 +840000 ekin = 1.39499323418974 | erot = 2.52993036126987 | epot = -12.2995466261511 | etot = -8.37462303069152 +841000 ekin = 1.43098519527422 | erot = 2.5599379691956 | epot = -12.3655461954166 | etot = -8.37462303094678 +842000 ekin = 1.46971603977216 | erot = 2.57185321605216 | epot = -12.416192286821 | etot = -8.37462303099667 +843000 ekin = 1.50953312207128 | erot = 2.56639824292026 | epot = -12.4505543958523 | etot = -8.37462303086072 +844000 ekin = 1.54948222761285 | erot = 2.54631968029351 | epot = -12.4704249385206 | etot = -8.37462303061426 +845000 ekin = 1.58921446593512 | erot = 2.51544731884043 | epot = -12.4792848151338 | etot = -8.37462303035821 +846000 ekin = 1.62874660077506 | erot = 2.47751369447731 | epot = -12.4808833254336 | etot = -8.37462303018124 +847000 ekin = 1.66818957259095 | erot = 2.43516936581845 | epot = -12.4779819685369 | etot = -8.37462303012748 +848000 ekin = 1.70754173435641 | erot = 2.38953851006948 | epot = -12.4717032746117 | etot = -8.37462303018578 +849000 ekin = 1.74659403310612 | erot = 2.34043091651457 | epot = -12.4616479799223 | etot = -8.37462303030163 +850000 ekin = 1.78494345870356 | erot = 2.28706007035913 | epot = -12.4466265594671 | etot = -8.37462303040443 +851000 ekin = 1.82207688731629 | erot = 2.228914200592 | epot = -12.42561411835 | etot = -8.3746230304417 +852000 ekin = 1.85747606631012 | erot = 2.16637383860093 | epot = -12.3984729353117 | etot = -8.37462303040065 +853000 ekin = 1.89070501220074 | erot = 2.10080168930645 | epot = -12.3661297318176 | etot = -8.37462303031038 +854000 ekin = 1.9214659858435 | erot = 2.03409194229 | epot = -12.3301809583572 | etot = -8.37462303022366 +855000 ekin = 1.94963553793794 | erot = 1.96792069984453 | epot = -12.2921792679713 | etot = -8.37462303018887 +856000 ekin = 1.97530408458121 | erot = 1.90306034558465 | epot = -12.2529874603915 | etot = -8.37462303022566 +857000 ekin = 1.99898235180446 | erot = 1.83954776706262 | epot = -12.2131531489303 | etot = -8.37462303006319 +858000 ekin = 2.02148966900432 | erot = 1.77712472332923 | epot = -12.1732374225549 | etot = -8.37462303022136 +859000 ekin = 2.0433298482171 | erot = 1.71372610051619 | epot = -12.1316789790703 | etot = -8.37462303033704 +860000 ekin = 2.06530510870649 | erot = 1.64761266612194 | epot = -12.0875408051794 | etot = -8.37462303035096 +861000 ekin = 2.08844047530034 | erot = 1.57839130427194 | epot = -12.0414548098105 | etot = -8.37462303023818 +862000 ekin = 2.11372996883785 | erot = 1.50759861504335 | epot = -11.9959516139068 | etot = -8.37462303002562 +863000 ekin = 2.14175193685403 | erot = 1.43866072803281 | epot = -11.9550356946781 | etot = -8.37462302979131 +864000 ekin = 2.17225364148361 | erot = 1.37614575520133 | epot = -11.923022426322 | etot = -8.37462302963709 +865000 ekin = 2.20389689307595 | erot = 1.32450432851186 | epot = -11.9030242512271 | etot = -8.37462302963933 +866000 ekin = 2.23438769162011 | erot = 1.28681328074455 | epot = -11.8958240018387 | etot = -8.37462302947405 +867000 ekin = 2.26151301830529 | erot = 1.26501341503676 | epot = -11.9011494631015 | etot = -8.37462302975946 +868000 ekin = 2.28295312631386 | erot = 1.25876385672369 | epot = -11.9163400130151 | etot = -8.37462302997758 +869000 ekin = 2.29713139084229 | erot = 1.26636363804849 | epot = -11.9381180589386 | etot = -8.37462303004779 +870000 ekin = 2.30388454561698 | erot = 1.28638972777536 | epot = -11.9648973033815 | etot = -8.37462302998917 +871000 ekin = 2.30409365407575 | erot = 1.31787621263324 | epot = -11.9965928970681 | etot = -8.37462303035909 +872000 ekin = 2.29712455302405 | erot = 1.35930276714017 | epot = -12.0310503505215 | etot = -8.37462303035724 +873000 ekin = 2.28274539313174 | erot = 1.40846954678439 | epot = -12.0658379700283 | etot = -8.37462303011216 +874000 ekin = 2.26320703625639 | erot = 1.46277950106241 | epot = -12.1006095675436 | etot = -8.37462303022481 +875000 ekin = 2.24001634727781 | erot = 1.51889022328921 | epot = -12.1335296008602 | etot = -8.3746230302932 +876000 ekin = 2.21430830467358 | erot = 1.57348199616131 | epot = -12.1624133311162 | etot = -8.37462303028127 +877000 ekin = 2.18777848574912 | erot = 1.62389020162125 | epot = -12.186291717523 | etot = -8.37462303015259 +878000 ekin = 2.1625289754971 | erot = 1.6683879309175 | epot = -12.2055399364741 | etot = -8.37462303005945 +879000 ekin = 2.14044753724287 | erot = 1.70571411561398 | epot = -12.220784682854 | etot = -8.37462302999713 +880000 ekin = 2.12277471005516 | erot = 1.7346996712217 | epot = -12.2320974113065 | etot = -8.37462303002968 +881000 ekin = 2.10977467363156 | erot = 1.75399371448721 | epot = -12.2383914183077 | etot = -8.37462303018896 +882000 ekin = 2.10050164325684 | erot = 1.76187019273065 | epot = -12.2369948664373 | etot = -8.37462303044976 +883000 ekin = 2.09290867716185 | erot = 1.75649694683761 | epot = -12.2240286547192 | etot = -8.37462303071974 +884000 ekin = 2.08433703648905 | erot = 1.7367150045413 | epot = -12.1956750719427 | etot = -8.37462303091231 +885000 ekin = 2.07202901576595 | erot = 1.7028259206429 | epot = -12.1494779673696 | etot = -8.37462303096077 +886000 ekin = 2.05378411495457 | erot = 1.6566047646792 | epot = -12.085011910272 | etot = -8.37462303063819 +887000 ekin = 2.02874297424939 | erot = 1.60297409536587 | epot = -12.0063400996892 | etot = -8.37462303007394 +888000 ekin = 1.99720256587183 | erot = 1.54912086819091 | epot = -11.9209464635251 | etot = -8.37462302946235 +889000 ekin = 1.95913963740047 | erot = 1.50198702363197 | epot = -11.8357496899597 | etot = -8.37462302892728 +890000 ekin = 1.91617614846425 | erot = 1.46746689319387 | epot = -11.7582660701973 | etot = -8.37462302853923 +891000 ekin = 1.87023137420534 | erot = 1.44931992803353 | epot = -11.6941743305672 | etot = -8.37462302832828 +892000 ekin = 1.82316218739014 | erot = 1.44889048221078 | epot = -11.6466756978758 | etot = -8.37462302827483 +893000 ekin = 1.77672781689597 | erot = 1.46538080237729 | epot = -11.6167316476053 | etot = -8.37462302833208 +894000 ekin = 1.73267401011555 | erot = 1.49642015516969 | epot = -11.6037171937257 | etot = -8.37462302844046 +895000 ekin = 1.6928761544742 | erot = 1.53876375532456 | epot = -11.6062629383404 | etot = -8.3746230285416 +896000 ekin = 1.65946528813143 | erot = 1.58897281247465 | epot = -11.623061129204 | etot = -8.3746230285979 +897000 ekin = 1.63484229164664 | erot = 1.64389812669818 | epot = -11.6533634469444 | etot = -8.37462302859954 +898000 ekin = 1.62150447332881 | erot = 1.70104293739242 | epot = -11.6971704392952 | etot = -8.374623028574 +899000 ekin = 1.6216839414652 | erot = 1.75850368933565 | epot = -11.754810659374 | etot = -8.37462302857311 +900000 ekin = 1.63689346404105 | erot = 1.81470313435645 | epot = -11.8262196270434 | etot = -8.37462302864591 +901000 ekin = 1.6675338774235 | erot = 1.86808611512452 | epot = -11.9102430213676 | etot = -8.37462302881957 +902000 ekin = 1.71269692237727 | erot = 1.91693084831131 | epot = -12.0042507997782 | etot = -8.3746230290896 +903000 ekin = 1.77021838508048 | erot = 1.9593405098069 | epot = -12.1041819243172 | etot = -8.37462302942986 +904000 ekin = 1.83694819296679 | erot = 1.9934131207578 | epot = -12.2049843435093 | etot = -8.37462302978473 +905000 ekin = 1.9091464165457 | erot = 2.01754527640836 | epot = -12.3013147230679 | etot = -8.37462303011389 +906000 ekin = 1.98289589689518 | erot = 2.03065122053356 | epot = -12.3881701478152 | etot = -8.37462303038642 +907000 ekin = 2.0544387792582 | erot = 2.03228127519948 | epot = -12.4613430850491 | etot = -8.37462303059146 +908000 ekin = 2.12038320008435 | erot = 2.02259637573229 | epot = -12.5176026065511 | etot = -8.37462303073442 +909000 ekin = 2.17777472068537 | erot = 2.00223868776878 | epot = -12.554636439284 | etot = -8.37462303082986 +910000 ekin = 2.22407231391338 | erot = 1.9721845909131 | epot = -12.5708799357147 | etot = -8.37462303088825 +911000 ekin = 2.25709881234482 | erot = 1.93367043928136 | epot = -12.5653922825338 | etot = -8.37462303090759 +912000 ekin = 2.27504055969691 | erot = 1.88824345128016 | epot = -12.5379070418475 | etot = -8.37462303087045 +913000 ekin = 2.27654326620465 | erot = 1.83792322952128 | epot = -12.489089526477 | etot = -8.3746230307511 +914000 ekin = 2.26395838710281 | erot = 1.78540897808978 | epot = -12.4239903948688 | etot = -8.37462302967619 +915000 ekin = 2.2404546891426 | erot = 1.73372810073202 | epot = -12.3488058193935 | etot = -8.37462302951889 +916000 ekin = 2.20520370203194 | erot = 1.68615105201165 | epot = -12.2659777833575 | etot = -8.37462302931391 +917000 ekin = 2.15800582906335 | erot = 1.64606783760092 | epot = -12.1786966957696 | etot = -8.37462302910529 +918000 ekin = 2.09921834410539 | erot = 1.61647797763549 | epot = -12.0903193506726 | etot = -8.37462302893175 +919000 ekin = 2.02966476141014 | erot = 1.59954949783084 | epot = -12.0038372880469 | etot = -8.3746230288059 +920000 ekin = 1.95065755947246 | erot = 1.59642144858295 | epot = -11.9217020368539 | etot = -8.37462302879853 +921000 ekin = 1.8636620064885 | erot = 1.60750866082269 | epot = -11.8457936959448 | etot = -8.37462302863366 +922000 ekin = 1.77152243883442 | erot = 1.63263587423585 | epot = -11.7787813414987 | etot = -8.3746230284284 +923000 ekin = 1.67869484031726 | erot = 1.67111175336598 | epot = -11.7244296218725 | etot = -8.37462302818924 +924000 ekin = 1.59024537020744 | erot = 1.72202288866753 | epot = -11.6868912868401 | etot = -8.37462302796509 +925000 ekin = 1.51123937037388 | erot = 1.78411652413432 | epot = -11.6699789223347 | etot = -8.37462302782654 +926000 ekin = 1.44599317765939 | erot = 1.85554834410282 | epot = -11.6761645495869 | etot = -8.37462302782471 +927000 ekin = 1.39752558603051 | erot = 1.9337066123923 | epot = -11.7058552263851 | etot = -8.37462302796227 +928000 ekin = 1.36763823811589 | erot = 2.01538770685265 | epot = -11.7576489728592 | etot = -8.37462302789061 +929000 ekin = 1.36100399985385 | erot = 2.09737818243304 | epot = -11.8330052107535 | etot = -8.37462302846664 +930000 ekin = 1.35523134973969 | erot = 2.17722433888997 | epot = -11.9070787110181 | etot = -8.37462302238848 +931000 ekin = 1.39431469293821 | erot = 2.25435620443639 | epot = -12.0232939189487 | etot = -8.37462302157406 +932000 ekin = 1.49280866700354 | erot = 2.31847930199535 | epot = -12.1859109889732 | etot = -8.37462301997432 +933000 ekin = 1.58533340940733 | erot = 2.36490000063033 | epot = -12.3248564302632 | etot = -8.37462302022554 +934000 ekin = 1.6869071209185 | erot = 2.39298221172759 | epot = -12.4545123552844 | etot = -8.37462302263832 +935000 ekin = 1.78473836456431 | erot = 2.39676204063713 | epot = -12.5561234284098 | etot = -8.37462302320837 +936000 ekin = 1.86987725379427 | erot = 2.37258693735196 | epot = -12.6170872146559 | etot = -8.37462302350971 +937000 ekin = 1.93720452631658 | erot = 2.32043568375497 | epot = -12.6322632335806 | etot = -8.37462302350909 +938000 ekin = 1.98385208904068 | erot = 2.24266190734032 | epot = -12.6011370196061 | etot = -8.37462302322507 +939000 ekin = 2.00910923701481 | erot = 2.14379034932402 | epot = -12.5275226090719 | etot = -8.37462302273311 +940000 ekin = 2.01395507287334 | erot = 2.02993348653353 | epot = -12.418511581502 | etot = -8.37462302209516 +941000 ekin = 2.00103743451128 | erot = 1.90808629517054 | epot = -12.2837467510605 | etot = -8.37462302137871 +942000 ekin = 1.97419824311637 | erot = 1.78546116622027 | epot = -12.1342824299796 | etot = -8.37462302064296 +943000 ekin = 1.93808318012258 | erot = 1.66892069893474 | epot = -11.9816268989915 | etot = -8.37462301993416 +944000 ekin = 1.89777663363129 | erot = 1.56456198515432 | epot = -11.8369616380752 | etot = -8.37462301928957 +945000 ekin = 1.8584360574195 | erot = 1.4774221417799 | epot = -11.7104812179438 | etot = -8.3746230187444 +946000 ekin = 1.82491092903916 | erot = 1.4112458813268 | epot = -11.6107798287017 | etot = -8.3746230183357 +947000 ekin = 1.80134221891273 | erot = 1.36826076777987 | epot = -11.544226004796 | etot = -8.37462301810342 +948000 ekin = 1.79076227761391 | erot = 1.34894522657999 | epot = -11.514330522277 | etot = -8.37462301808307 +949000 ekin = 1.79475359827847 | erot = 1.35184135985215 | epot = -11.5212179764226 | etot = -8.37462301829198 +950000 ekin = 1.81326202056042 | erot = 1.37352812800741 | epot = -11.5614131672793 | etot = -8.37462301871149 +951000 ekin = 1.84466122234651 | erot = 1.40888082072085 | epot = -11.6281650623473 | etot = -8.37462301927996 +952000 ekin = 1.88610598522676 | erot = 1.45166996303417 | epot = -11.7123989681623 | etot = -8.37462301990139 +953000 ekin = 1.934156262123 | erot = 1.49545802204409 | epot = -11.8042373044958 | etot = -8.3746230203287 +954000 ekin = 1.98570845877452 | erot = 1.53486140745232 | epot = -11.8951928869974 | etot = -8.37462302077055 +955000 ekin = 2.03763688301833 | erot = 1.56575119860864 | epot = -11.9780111026545 | etot = -8.37462302102751 +956000 ekin = 2.08752516851332 | erot = 1.58576425984886 | epot = -12.0479124494575 | etot = -8.3746230210953 +957000 ekin = 2.13388693711082 | erot = 1.59443657070954 | epot = -12.1029465288261 | etot = -8.37462302100571 +958000 ekin = 2.17603134876119 | erot = 1.59291217732942 | epot = -12.1435665469034 | etot = -8.37462302081277 +959000 ekin = 2.21381255039447 | erot = 1.58343493097992 | epot = -12.1718705019502 | etot = -8.37462302057581 +960000 ekin = 2.24735101958393 | erot = 1.56876603519003 | epot = -12.1907400751222 | etot = -8.37462302034826 +961000 ekin = 2.27678636586191 | erot = 1.55164507315893 | epot = -12.2030544591906 | etot = -8.37462302016977 +962000 ekin = 2.30208813281834 | erot = 1.53436606864973 | epot = -12.2110772215359 | etot = -8.3746230200678 +963000 ekin = 2.32292955592992 | erot = 1.51849868392629 | epot = -12.216051259911 | etot = -8.37462302005475 +964000 ekin = 2.33862421271349 | erot = 1.50476151871897 | epot = -12.2180087515615 | etot = -8.37462302012903 +965000 ekin = 2.34813222218501 | erot = 1.49304783088655 | epot = -12.2158030733455 | etot = -8.37462302027398 +966000 ekin = 2.35015122859632 | erot = 1.48260237415612 | epot = -12.2073766232095 | etot = -8.37462302045703 +967000 ekin = 2.34330726073581 | erot = 1.47233774694663 | epot = -12.1902680283141 | etot = -8.37462302063161 +968000 ekin = 2.32644504723609 | erot = 1.4612521262929 | epot = -12.1623201942732 | etot = -8.3746230207442 +969000 ekin = 2.298987719283 | erot = 1.44887277461076 | epot = -12.1224835146385 | etot = -8.37462302074475 +970000 ekin = 2.26130276222912 | erot = 1.43562016618933 | epot = -12.0715459490187 | etot = -8.37462302060021 +971000 ekin = 2.21499063344576 | erot = 1.42298879008891 | epot = -12.0126024438385 | etot = -8.37462302030381 +972000 ekin = 2.16303757459317 | erot = 1.413484724074 | epot = -11.9511453184525 | etot = -8.37462301978536 +973000 ekin = 2.10950969279595 | erot = 1.41039391552952 | epot = -11.8945266279348 | etot = -8.37462301960932 +974000 ekin = 2.05703199423842 | erot = 1.417325038755 | epot = -11.8489800521527 | etot = -8.37462301915926 +975000 ekin = 2.01010390576686 | erot = 1.43732066925471 | epot = -11.8220475937773 | etot = -8.37462301875575 +976000 ekin = 1.97340114976942 | erot = 1.4726138540038 | epot = -11.820638022252 | etot = -8.37462301847879 +977000 ekin = 1.95082006441383 | erot = 1.52416835989321 | epot = -11.8496114427088 | etot = -8.37462301840173 +978000 ekin = 1.94472832265077 | erot = 1.59131019464789 | epot = -11.9106615358753 | etot = -8.3746230185766 +979000 ekin = 1.95538713562964 | erot = 1.67153495876314 | epot = -12.0015451134109 | etot = -8.37462301901814 +980000 ekin = 1.98067723854538 | erot = 1.76051368581332 | epot = -12.1158139441448 | etot = -8.37462301978612 +981000 ekin = 2.0157957191225 | erot = 1.85207319544778 | epot = -12.2424919352215 | etot = -8.37462302065118 +982000 ekin = 2.05441082025382 | erot = 1.93952253760915 | epot = -12.3685563793656 | etot = -8.37462302150267 +983000 ekin = 2.08992138423356 | erot = 2.0167128031244 | epot = -12.4812572095418 | etot = -8.37462302218386 +984000 ekin = 2.11656909805995 | erot = 2.0791069697044 | epot = -12.5702990903412 | etot = -8.37462302257681 +985000 ekin = 2.13033501087735 | erot = 2.12464764348882 | epot = -12.6296056770033 | etot = -8.37462302263715 +986000 ekin = 2.12935596235087 | erot = 2.15403431726419 | epot = -12.6580133020188 | etot = -8.37462302240378 +987000 ekin = 2.11471923976004 | erot = 2.17104098415556 | epot = -12.6603832458026 | etot = -8.37462302188695 +988000 ekin = 2.0911973509168 | erot = 2.18228698931119 | epot = -12.648107361857 | etot = -8.37462302162897 +989000 ekin = 2.06027968793927 | erot = 2.19075462083259 | epot = -12.6256573301712 | etot = -8.37462302139929 +990000 ekin = 2.02336255783948 | erot = 2.19843813689039 | epot = -12.5964237159713 | etot = -8.3746230212414 +991000 ekin = 1.98188077464448 | erot = 2.20638055721807 | epot = -12.5628843530207 | etot = -8.37462302115815 +992000 ekin = 1.9371574969609 | erot = 2.21473069770544 | epot = -12.526511215791 | etot = -8.37462302112469 +993000 ekin = 1.89038311214042 | erot = 2.22307759882966 | epot = -12.4880837320782 | etot = -8.37462302110816 +994000 ekin = 1.84266575145737 | erot = 2.23084817714076 | epot = -12.4481369496809 | etot = -8.37462302108277 +995000 ekin = 1.79502825855483 | erot = 2.23761066004422 | epot = -12.4072619396231 | etot = -8.37462302102401 +996000 ekin = 1.74865820363213 | erot = 2.24323231093978 | epot = -12.3665135355147 | etot = -8.37462302094276 +997000 ekin = 1.70508150024523 | erot = 2.24765365397734 | epot = -12.3273581750827 | etot = -8.37462302086018 +998000 ekin = 1.66588125251577 | erot = 2.25078611342452 | epot = -12.2912903867191 | etot = -8.37462302077885 +999000 ekin = 1.63259998377321 | erot = 2.25262768597372 | epot = -12.2598506904229 | etot = -8.37462302067593 +1000000 ekin = 1.60661879884278 | erot = 2.25373528621647 | epot = -12.2349771056213 | etot = -8.37462302056205 + 1000000 0.1190088 -1.3493654 0.12586767 -1.0628358 0.00017426596 64000 +Loop time of 13.0812 on 4 procs for 1000000 steps with 10 atoms + +Performance: 66048.962 tau/day, 76445.558 timesteps/s +99.7% CPU use with 4 MPI tasks x no OpenMP threads + +MPI task timing breakdown: +Section | min time | avg time | max time |%varavg| %total +--------------------------------------------------------------- +Pair | 3.0631 | 4.6538 | 7.2171 | 72.4 | 35.58 +Bond | 0.17909 | 0.26012 | 0.34382 | 11.7 | 1.99 +Neigh | 0.005471 | 0.005514 | 0.005554 | 0.0 | 0.04 +Comm | 3.0767 | 5.9677 | 7.5973 | 70.7 | 45.62 +Output | 0.072802 | 0.075774 | 0.080905 | 1.1 | 0.58 +Modify | 0.5268 | 0.6169 | 0.72175 | 11.4 | 4.72 +Other | | 1.501 | | | 11.48 + +Nlocal: 2.50000 ave 3 max 2 min +Histogram: 2 0 0 0 0 0 0 0 0 2 +Nghost: 7.50000 ave 8 max 7 min +Histogram: 2 0 0 0 0 0 0 0 0 2 +Neighs: 9.25000 ave 15 max 2 min +Histogram: 1 0 0 0 1 0 0 1 0 1 + +Total # of neighbors = 37 +Ave neighs/atom = 3.7000000 +Ave special neighs/atom = 3.6000000 +Neighbor list builds = 1000 +Dangerous builds = 0 + +write_data last_config.${number}.* nocoeff +write_data last_config.1.* nocoeff +System init for write_data ... +#write_restart last_config.${number}.* +Total wall time: 0:00:13 diff --git a/examples/PACKAGES/cgdna/examples/oxDNA2/duplex2/in.duplex2 b/examples/PACKAGES/cgdna/examples/oxDNA2/duplex2/in.duplex2 index b43ce6fd15..b57d5f09c1 100644 --- a/examples/PACKAGES/cgdna/examples/oxDNA2/duplex2/in.duplex2 +++ b/examples/PACKAGES/cgdna/examples/oxDNA2/duplex2/in.duplex2 @@ -8,7 +8,7 @@ units lj dimension 3 -newton off +newton on boundary p p p @@ -69,3 +69,4 @@ dump_modify out format line "%d %d %d %22.15le %22.15le %22.15le %d %d %d %22 run 1000000 write_data last_config.${number}.* nocoeff +#write_restart last_config.${number}.* diff --git a/examples/PACKAGES/cgdna/examples/oxDNA2/duplex2/log.27May21.duplex2.g++.1 b/examples/PACKAGES/cgdna/examples/oxDNA2/duplex2/log.27May21.duplex2.g++.1 deleted file mode 100644 index 6ad31311d6..0000000000 --- a/examples/PACKAGES/cgdna/examples/oxDNA2/duplex2/log.27May21.duplex2.g++.1 +++ /dev/null @@ -1,1182 +0,0 @@ -LAMMPS (27 May 2021) -variable number equal 2 -variable ofreq equal 1000 -variable efreq equal 1000 -variable T equal 0.1 -variable rhos equal 0.2 - -units lj - -dimension 3 - -newton off - -boundary p p p - -atom_style hybrid bond ellipsoid oxdna -WARNING: Atom style hybrid defines both, per-type and per-atom masses; both must be set, but only per-atom masses will be used (../atom_vec_hybrid.cpp:157) -atom_modify sort 0 1.0 - -# Pair interactions require lists of neighbours to be calculated -neighbor 2.0 bin -neigh_modify every 1 delay 0 check yes - -read_data data.duplex2 -Reading data file ... - orthogonal box = (-20.000000 -20.000000 -20.000000) to (20.000000 20.000000 20.000000) - 1 by 1 by 1 MPI processor grid - reading atoms ... - 16 atoms - reading velocities ... - 16 velocities - scanning bonds ... - 2 = max bonds/atom - 16 ellipsoids - reading bonds ... - 13 bonds -Finding 1-2 1-3 1-4 neighbors ... - special bond factors lj: 0 0 0 - special bond factors coul: 0 0 0 - 2 = max # of 1-2 neighbors - 2 = max # of 1-3 neighbors - 4 = max # of 1-4 neighbors - 6 = max # of special neighbors - special bonds CPU = 0.000 seconds - read_data CPU = 0.003 seconds - -set atom * mass 3.1575 -Setting atom values ... - 16 settings made for mass - -group all type 1 4 -16 atoms in group all - -# oxDNA2 bond interactions - FENE backbone -bond_style oxdna2/fene -bond_coeff * 2.0 0.25 0.7564 -special_bonds lj 0 1 1 -Finding 1-2 1-3 1-4 neighbors ... - special bond factors lj: 0 1 1 - special bond factors coul: 0 0 0 - 2 = max # of 1-2 neighbors - 2 = max # of 1-3 neighbors - 4 = max # of 1-4 neighbors - 6 = max # of special neighbors - special bonds CPU = 0.000 seconds - -# oxDNA2 pair interactions -pair_style hybrid/overlay oxdna2/excv oxdna2/stk oxdna2/hbond oxdna2/xstk oxdna2/coaxstk oxdna2/dh -pair_coeff * * oxdna2/excv 2.0 0.7 0.675 2.0 0.515 0.5 2.0 0.33 0.32 -pair_coeff * * oxdna2/stk seqav ${T} 1.3523 2.6717 6.0 0.4 0.9 0.32 0.75 1.3 0 0.8 0.9 0 0.95 0.9 0 0.95 2.0 0.65 2.0 0.65 -pair_coeff * * oxdna2/stk seqav 0.1 1.3523 2.6717 6.0 0.4 0.9 0.32 0.75 1.3 0 0.8 0.9 0 0.95 0.9 0 0.95 2.0 0.65 2.0 0.65 -pair_coeff * * oxdna2/hbond seqav 0.0 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 -pair_coeff 1 4 oxdna2/hbond seqav 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 -pair_coeff 2 3 oxdna2/hbond seqav 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 -pair_coeff * * oxdna2/xstk 47.5 0.575 0.675 0.495 0.655 2.25 0.791592653589793 0.58 1.7 1.0 0.68 1.7 1.0 0.68 1.5 0 0.65 1.7 0.875 0.68 1.7 0.875 0.68 -pair_coeff * * oxdna2/coaxstk 58.5 0.4 0.6 0.22 0.58 2.0 2.891592653589793 0.65 1.3 0 0.8 0.9 0 0.95 0.9 0 0.95 40.0 3.116592653589793 -pair_coeff * * oxdna2/dh ${T} ${rhos} 0.815 -pair_coeff * * oxdna2/dh 0.1 ${rhos} 0.815 -pair_coeff * * oxdna2/dh 0.1 0.2 0.815 - -# NVE ensemble -fix 1 all nve/asphere -fix 2 all langevin ${T} ${T} 2.5 457145 angmom 10 -fix 2 all langevin 0.1 ${T} 2.5 457145 angmom 10 -fix 2 all langevin 0.1 0.1 2.5 457145 angmom 10 - -timestep 1e-5 - -#comm_style tiled -fix 3 all balance 1000 1.03 shift xyz 10 1.03 -comm_modify cutoff 3.8 - -compute quat all property/atom quatw quati quatj quatk - -compute erot all erotate/asphere -compute ekin all ke -compute epot all pe -variable erot equal c_erot -variable ekin equal c_ekin -variable epot equal c_epot -variable etot equal c_erot+c_ekin+c_epot -fix 5 all print ${efreq} "$(step) ekin = ${ekin} | erot = ${erot} | epot = ${epot} | etot = ${etot}" screen yes -fix 5 all print 1000 "$(step) ekin = ${ekin} | erot = ${erot} | epot = ${epot} | etot = ${etot}" screen yes - -dump out all custom ${ofreq} out.${number}.lammpstrj id mol type x y z ix iy iz vx vy vz c_quat[1] c_quat[2] c_quat[3] c_quat[4] angmomx angmomy angmomz -dump out all custom 1000 out.${number}.lammpstrj id mol type x y z ix iy iz vx vy vz c_quat[1] c_quat[2] c_quat[3] c_quat[4] angmomx angmomy angmomz -dump out all custom 1000 out.2.lammpstrj id mol type x y z ix iy iz vx vy vz c_quat[1] c_quat[2] c_quat[3] c_quat[4] angmomx angmomy angmomz -dump_modify out sort id -dump_modify out format line "%d %d %d %22.15le %22.15le %22.15le %d %d %d %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le" - -run 1000000 -Neighbor list info ... - update every 1 steps, delay 0 steps, check yes - max neighbors/atom: 2000, page size: 100000 - master list distance cutoff = 5.6389877 - ghost atom cutoff = 5.6389877 - binsize = 2.8194939, bins = 15 15 15 - 5 neighbor lists, perpetual/occasional/extra = 5 0 0 - (1) pair oxdna2/excv, perpetual - attributes: half, newton off - pair build: half/bin/newtoff - stencil: full/bin/3d - bin: standard - (2) pair oxdna2/hbond, perpetual, copy from (1) - attributes: half, newton off - pair build: copy - stencil: none - bin: none - (3) pair oxdna2/xstk, perpetual, copy from (1) - attributes: half, newton off - pair build: copy - stencil: none - bin: none - (4) pair oxdna2/coaxstk, perpetual, copy from (1) - attributes: half, newton off - pair build: copy - stencil: none - bin: none - (5) pair oxdna2/dh, perpetual, copy from (1) - attributes: half, newton off - pair build: copy - stencil: none - bin: none -WARNING: Communication cutoff adjusted to 5.638987723814632 (../comm.cpp:739) -0 ekin = 2.70475393009871 | erot = 2.80172072918779 | epot = -21.0482852787267 | etot = -15.5418106194402 -Per MPI rank memory allocation (min/avg/max) = 9.575 | 9.575 | 9.575 Mbytes -Step Temp E_pair E_mol TotEng Press Volume - 0 0.12021129 -1.3610384 0.045520537 -1.1464707 5.9660461e-05 64000 -1000 ekin = 2.70391570439002 | erot = 2.60396138194761 | epot = -20.892587006041 | etot = -15.5847099197034 -2000 ekin = 2.64635320949975 | erot = 2.53579824187029 | epot = -20.7791695875995 | etot = -15.5970181362294 -3000 ekin = 2.69752120400807 | erot = 2.55180306746824 | epot = -20.7137659040141 | etot = -15.4644416325378 -4000 ekin = 2.65388214447351 | erot = 2.47641299322464 | epot = -20.6794119976431 | etot = -15.5491168599449 -5000 ekin = 2.60025466050757 | erot = 2.2039059393524 | epot = -20.6560408696723 | etot = -15.8518802698123 -6000 ekin = 2.46901398821907 | erot = 2.47310200487733 | epot = -20.6350989412901 | etot = -15.6929829481937 -7000 ekin = 2.51574664182367 | erot = 2.31213437386206 | epot = -20.6631357493118 | etot = -15.8352547336261 -8000 ekin = 2.59690047628267 | erot = 2.32317845363663 | epot = -20.7152959922884 | etot = -15.7952170623691 -9000 ekin = 2.48618631858408 | erot = 2.08285633125494 | epot = -20.7950725844518 | etot = -16.2260299346128 -10000 ekin = 2.52115116499233 | erot = 2.20106084795614 | epot = -20.8992442032707 | etot = -16.1770321903222 -11000 ekin = 2.43147539619194 | erot = 2.4292761978595 | epot = -21.0249867006789 | etot = -16.1642351066275 -12000 ekin = 2.45333761568576 | erot = 2.52560307161098 | epot = -21.1588492672088 | etot = -16.179908579912 -13000 ekin = 2.53951720462344 | erot = 2.7465487700648 | epot = -21.2655112796489 | etot = -15.9794453049607 -14000 ekin = 2.5287482301222 | erot = 3.01239544645659 | epot = -21.3374765197331 | etot = -15.7963328431543 -15000 ekin = 2.63126849733546 | erot = 2.75804260501315 | epot = -21.3622375137172 | etot = -15.9729264113686 -16000 ekin = 2.53351081020597 | erot = 2.9515240146865 | epot = -21.3358982910483 | etot = -15.8508634661558 -17000 ekin = 2.57894891181708 | erot = 3.20567182477319 | epot = -21.2708322188655 | etot = -15.4862114822752 -18000 ekin = 2.48912656009911 | erot = 3.30514421758695 | epot = -21.1854964687721 | etot = -15.391225691086 -19000 ekin = 2.54963746369468 | erot = 3.12775559702552 | epot = -21.0796045258341 | etot = -15.4022114651139 -20000 ekin = 2.70343028147054 | erot = 3.48245634539085 | epot = -20.9620878080506 | etot = -14.7762011811892 -21000 ekin = 2.74008375980767 | erot = 3.49340976649893 | epot = -20.8605728519254 | etot = -14.6270793256188 -22000 ekin = 2.70619491966173 | erot = 3.39094503970526 | epot = -20.7832212738353 | etot = -14.6860813144683 -23000 ekin = 2.76977571935376 | erot = 2.96919161110174 | epot = -20.7244407619743 | etot = -14.9854734315188 -24000 ekin = 2.70661582607977 | erot = 2.7368811231863 | epot = -20.7053645378039 | etot = -15.2618675885378 -25000 ekin = 2.68754636497152 | erot = 2.61416599169544 | epot = -20.7064779461664 | etot = -15.4047655894994 -26000 ekin = 2.73235500408335 | erot = 2.73313459064972 | epot = -20.7277379348113 | etot = -15.2622483400782 -27000 ekin = 2.80776243953875 | erot = 2.57060961199333 | epot = -20.7536767854922 | etot = -15.3753047339601 -28000 ekin = 2.72026602469303 | erot = 2.48773762184112 | epot = -20.7972439765033 | etot = -15.5892403299692 -29000 ekin = 2.74993250614267 | erot = 2.43620019541717 | epot = -20.8845224755542 | etot = -15.6983897739944 -30000 ekin = 2.84727011110436 | erot = 2.55872515142542 | epot = -21.0029391367955 | etot = -15.5969438742657 -31000 ekin = 2.9373105145775 | erot = 2.68538653493624 | epot = -21.1441658724037 | etot = -15.52146882289 -32000 ekin = 3.11483472271262 | erot = 2.71833221771893 | epot = -21.3009630690853 | etot = -15.4677961286538 -33000 ekin = 3.420156896237 | erot = 3.01186958829685 | epot = -21.4445354747606 | etot = -15.0125089902268 -34000 ekin = 3.45714970534467 | erot = 3.34699175671057 | epot = -21.5750227937594 | etot = -14.7708813317042 -35000 ekin = 3.49497749393847 | erot = 3.14001434352622 | epot = -21.6604994386104 | etot = -15.0255076011457 -36000 ekin = 3.47204675153368 | erot = 2.84774400732499 | epot = -21.6891867301233 | etot = -15.3693959712647 -37000 ekin = 3.44180301616541 | erot = 2.56259280720522 | epot = -21.6709924941778 | etot = -15.6665966708072 -38000 ekin = 3.54821034228961 | erot = 2.44212751582542 | epot = -21.6265094810359 | etot = -15.6361716229209 -39000 ekin = 3.46871818671425 | erot = 2.3996020823067 | epot = -21.5379795382886 | etot = -15.6696592692677 -40000 ekin = 3.39697091933587 | erot = 2.06928828303179 | epot = -21.4180869184494 | etot = -15.9518277160818 -41000 ekin = 3.34648089211933 | erot = 2.10977053447765 | epot = -21.3088504303423 | etot = -15.8525990037453 -42000 ekin = 3.14017175730779 | erot = 2.61712762297441 | epot = -21.2075302208962 | etot = -15.450230840614 -43000 ekin = 3.05412713054855 | erot = 2.16422672116185 | epot = -21.1026514185808 | etot = -15.8842975668704 -44000 ekin = 2.8563652549228 | erot = 2.23456154398499 | epot = -21.0187138708968 | etot = -15.9277870719891 -45000 ekin = 2.71017763793129 | erot = 2.20442798009884 | epot = -20.9688571562277 | etot = -16.0542515381976 -46000 ekin = 2.80228666966602 | erot = 2.36912065742281 | epot = -20.9221917036258 | etot = -15.750784376537 -47000 ekin = 2.68398029783771 | erot = 2.30787382180577 | epot = -20.9147956898556 | etot = -15.9229415702121 -48000 ekin = 2.60361639221637 | erot = 2.16759706121354 | epot = -20.9378819526189 | etot = -16.166668499189 -49000 ekin = 2.6987952733265 | erot = 1.95331370371641 | epot = -20.9793801292351 | etot = -16.3272711521922 -50000 ekin = 2.78297818082632 | erot = 1.73866705563713 | epot = -21.0239873291857 | etot = -16.5023420927222 -51000 ekin = 2.79226298145989 | erot = 1.75750015205397 | epot = -21.0591817365135 | etot = -16.5094186029997 -52000 ekin = 2.93778678358835 | erot = 2.05248025310421 | epot = -21.1000263829064 | etot = -16.1097593462138 -53000 ekin = 2.93047021956224 | erot = 2.21318598351598 | epot = -21.1408129057595 | etot = -15.9971567026813 -54000 ekin = 2.95313738597265 | erot = 2.20797346738785 | epot = -21.1830307851602 | etot = -16.0219199317997 -55000 ekin = 2.98703149924487 | erot = 2.36965734625004 | epot = -21.2448833674046 | etot = -15.8881945219097 -56000 ekin = 2.9918847626884 | erot = 2.35374933057426 | epot = -21.3017374555429 | etot = -15.9561033622802 -57000 ekin = 3.04248410594257 | erot = 2.10923890188225 | epot = -21.3362725295755 | etot = -16.1845495217507 -58000 ekin = 2.98235297495945 | erot = 2.13409247728306 | epot = -21.3593231655096 | etot = -16.2428777132671 -59000 ekin = 2.91016949839304 | erot = 2.36822905479349 | epot = -21.3622398255745 | etot = -16.083841272388 -60000 ekin = 2.9725077920235 | erot = 2.54263250726515 | epot = -21.3342690818058 | etot = -15.8191287825172 -61000 ekin = 2.96790668494255 | erot = 2.48996902731659 | epot = -21.2724803895844 | etot = -15.8146046773253 -62000 ekin = 2.94610606099054 | erot = 2.18201665175963 | epot = -21.1879194614352 | etot = -16.059796748685 -63000 ekin = 3.02712147052615 | erot = 2.16093889178585 | epot = -21.0966584891443 | etot = -15.9085981268323 -64000 ekin = 3.20886369209217 | erot = 2.0693144064006 | epot = -21.0569971647534 | etot = -15.7788190662607 -65000 ekin = 3.22349334555756 | erot = 1.93510092297445 | epot = -21.0349289183421 | etot = -15.8763346498101 -66000 ekin = 3.10418207507132 | erot = 1.94339370515854 | epot = -21.0517453882432 | etot = -16.0041696080134 -67000 ekin = 3.12595764700021 | erot = 2.29857726165626 | epot = -21.1076206585503 | etot = -15.6830857498938 -68000 ekin = 2.99981867339099 | erot = 2.04147368191608 | epot = -21.1811986978272 | etot = -16.1399063425201 -69000 ekin = 2.93860333642774 | erot = 2.09583398354874 | epot = -21.2548061558297 | etot = -16.2203688358532 -70000 ekin = 2.94862796959938 | erot = 2.02427035214619 | epot = -21.3225756079774 | etot = -16.3496772862319 -71000 ekin = 2.95485075626802 | erot = 1.9804675253528 | epot = -21.3931478839353 | etot = -16.4578296023144 -72000 ekin = 3.03083521870645 | erot = 1.64033628981966 | epot = -21.4680680893692 | etot = -16.7968965808431 -73000 ekin = 3.20193349232362 | erot = 1.82676041495793 | epot = -21.5301957695024 | etot = -16.5015018622209 -74000 ekin = 3.22662444253097 | erot = 1.89227240506012 | epot = -21.5643738418553 | etot = -16.4454769942643 -75000 ekin = 3.28911018830876 | erot = 1.89872323449654 | epot = -21.5810306648804 | etot = -16.3931972420751 -76000 ekin = 3.29558374515735 | erot = 1.87444557500023 | epot = -21.5642338211322 | etot = -16.3942045009746 -77000 ekin = 3.54018909072077 | erot = 1.7572907653699 | epot = -21.5044360245146 | etot = -16.2069561684239 -78000 ekin = 3.54291076978584 | erot = 1.76974361090017 | epot = -21.4006101697986 | etot = -16.0879557891126 -79000 ekin = 3.54987455874813 | erot = 1.91515152695035 | epot = -21.2526696681999 | etot = -15.7876435825014 -80000 ekin = 3.44554692397026 | erot = 1.55785077520353 | epot = -21.1041761178578 | etot = -16.1007784186841 -81000 ekin = 3.39041332539999 | erot = 1.45777024027671 | epot = -20.9764951390215 | etot = -16.1283115733448 -82000 ekin = 3.28164787796649 | erot = 1.38380348431298 | epot = -20.899509162344 | etot = -16.2340578000645 -83000 ekin = 3.2711994674637 | erot = 1.61635220758894 | epot = -20.8682969771062 | etot = -15.9807453020535 -84000 ekin = 3.23767018514766 | erot = 1.58136727778769 | epot = -20.8558733748386 | etot = -16.0368359119032 -85000 ekin = 3.19513864200051 | erot = 1.64319108858878 | epot = -20.8419968518708 | etot = -16.0036671212815 -86000 ekin = 3.24896357270191 | erot = 1.89522046055132 | epot = -20.8328066333251 | etot = -15.6886226000718 -87000 ekin = 3.13174021654818 | erot = 1.94306423894154 | epot = -20.8481262288119 | etot = -15.7733217733222 -88000 ekin = 3.11122085279112 | erot = 1.78724048339194 | epot = -20.9059531901009 | etot = -16.0074918539178 -89000 ekin = 3.08381661724967 | erot = 1.63584870500638 | epot = -20.9715808309548 | etot = -16.2519155086988 -90000 ekin = 3.20313125753904 | erot = 1.94895881894576 | epot = -21.0671915523153 | etot = -15.9151014758305 -91000 ekin = 3.14651785772315 | erot = 2.26271277860543 | epot = -21.1780568094307 | etot = -15.7688261731021 -92000 ekin = 3.23402739820378 | erot = 2.38502646372715 | epot = -21.3058699018425 | etot = -15.6868160399115 -93000 ekin = 3.27864277718343 | erot = 2.22426372598659 | epot = -21.4112218809903 | etot = -15.9083153778203 -94000 ekin = 3.31438607736517 | erot = 2.13604324487189 | epot = -21.5023579935935 | etot = -16.0519286713564 -95000 ekin = 3.27323012344957 | erot = 2.3817868438853 | epot = -21.6160955797712 | etot = -15.9610786124363 -96000 ekin = 3.22326707535027 | erot = 2.54544679505643 | epot = -21.7318191046089 | etot = -15.9631052342022 -97000 ekin = 3.23424306839053 | erot = 2.64153427684313 | epot = -21.8458536800777 | etot = -15.9700763348441 -98000 ekin = 3.20883333988361 | erot = 2.67043755850074 | epot = -21.9495446261424 | etot = -16.070273727758 -99000 ekin = 3.11663851643537 | erot = 2.90733596256654 | epot = -22.0486791427266 | etot = -16.0247046637247 -100000 ekin = 3.03264321501926 | erot = 2.96946233520272 | epot = -22.1457931713674 | etot = -16.1436876211454 -101000 ekin = 2.95046281913221 | erot = 2.88464070608065 | epot = -22.2018281755497 | etot = -16.3667246503368 -102000 ekin = 2.85487641720317 | erot = 3.18352311497666 | epot = -22.1945156997858 | etot = -16.1561161676059 -103000 ekin = 2.83556367487544 | erot = 3.10626911100562 | epot = -22.1286684506118 | etot = -16.1868356647308 -104000 ekin = 2.74206313561189 | erot = 2.76469534508288 | epot = -22.0370967342097 | etot = -16.5303382535149 -105000 ekin = 2.68691210569757 | erot = 2.43510424243724 | epot = -21.9227484953522 | etot = -16.8007321472174 -106000 ekin = 2.5632306571111 | erot = 2.04976251036801 | epot = -21.8252352950753 | etot = -17.2122421275962 -107000 ekin = 2.45282193090847 | erot = 2.35578840258498 | epot = -21.7394205256345 | etot = -16.930810192141 -108000 ekin = 2.53861743899996 | erot = 2.41441398228762 | epot = -21.6772620188417 | etot = -16.7242305975541 -109000 ekin = 2.47502081207099 | erot = 2.24593310938323 | epot = -21.6325689491035 | etot = -16.9116150276492 -110000 ekin = 2.50321333342891 | erot = 1.86407174946136 | epot = -21.6221361025482 | etot = -17.2548510196579 -111000 ekin = 2.55274947911868 | erot = 1.93351998444029 | epot = -21.642435954763 | etot = -17.156166491204 -112000 ekin = 2.57554816024182 | erot = 1.85965001180021 | epot = -21.6646307305488 | etot = -17.2294325585067 -113000 ekin = 2.58422184546739 | erot = 1.6661260659466 | epot = -21.6825320885557 | etot = -17.4321841771417 -114000 ekin = 2.63767451071981 | erot = 1.86651684228484 | epot = -21.6875711888382 | etot = -17.1833798358336 -115000 ekin = 2.5585086928899 | erot = 1.95479352013927 | epot = -21.7088690741548 | etot = -17.1955668611256 -116000 ekin = 2.59960484914044 | erot = 1.98515359639084 | epot = -21.7399246709688 | etot = -17.1551662254375 -117000 ekin = 2.6364636182488 | erot = 2.15859263253909 | epot = -21.7790865447413 | etot = -16.9840302939534 -118000 ekin = 2.6722112411998 | erot = 2.07625368130402 | epot = -21.8132075002145 | etot = -17.0647425777106 -119000 ekin = 2.91085167645328 | erot = 1.98818490836518 | epot = -21.8375717289924 | etot = -16.9385351441739 -120000 ekin = 2.93975077154823 | erot = 1.99854094901667 | epot = -21.8494362428875 | etot = -16.9111445223226 -121000 ekin = 3.04700503953787 | erot = 2.15191677123412 | epot = -21.85263610441 | etot = -16.653714293638 -122000 ekin = 3.0197006563079 | erot = 2.09092735340922 | epot = -21.8688746811129 | etot = -16.7582466713958 -123000 ekin = 2.99309396144643 | erot = 1.76972828030718 | epot = -21.9045561644835 | etot = -17.1417339227298 -124000 ekin = 2.96321679602905 | erot = 1.96464026140175 | epot = -21.9325819137335 | etot = -17.0047248563027 -125000 ekin = 2.98312575423872 | erot = 1.64592593754597 | epot = -21.9608904634475 | etot = -17.3318387716628 -126000 ekin = 2.99097949215567 | erot = 1.75618745760138 | epot = -22.0097583194279 | etot = -17.2625913696708 -127000 ekin = 3.04267424627591 | erot = 1.84781956231799 | epot = -22.0474977427292 | etot = -17.1570039341353 -128000 ekin = 3.16299477926054 | erot = 1.98570527937052 | epot = -22.1060844986598 | etot = -16.9573844400288 -129000 ekin = 3.16426696344662 | erot = 1.97746137640529 | epot = -22.1606468653278 | etot = -17.0189185254759 -130000 ekin = 3.09082575381663 | erot = 2.52059065203424 | epot = -22.1892702662504 | etot = -16.5778538603996 -131000 ekin = 3.04363359740035 | erot = 2.76905383223607 | epot = -22.1941284862536 | etot = -16.3814410566171 -132000 ekin = 2.97799249868517 | erot = 2.58737442779091 | epot = -22.1487985926417 | etot = -16.5834316661656 -133000 ekin = 3.03410219436437 | erot = 2.49151216637022 | epot = -22.0390476094716 | etot = -16.513433248737 -134000 ekin = 2.97290518441653 | erot = 2.27955980622729 | epot = -21.9043568760918 | etot = -16.651891885448 -135000 ekin = 2.97882125899841 | erot = 2.36516672946397 | epot = -21.7588924186335 | etot = -16.4149044301711 -136000 ekin = 3.06225054874153 | erot = 1.85004987442537 | epot = -21.6100365266532 | etot = -16.6977361034863 -137000 ekin = 3.03515949013354 | erot = 1.79133727158631 | epot = -21.4833056014438 | etot = -16.656808839724 -138000 ekin = 2.98359986843838 | erot = 1.95427111240585 | epot = -21.3692118882269 | etot = -16.4313409073826 -139000 ekin = 3.00638756764291 | erot = 1.75390651791807 | epot = -21.2771971161583 | etot = -16.5169030305973 -140000 ekin = 2.9830152029022 | erot = 1.55293456918097 | epot = -21.208258242256 | etot = -16.6723084701728 -141000 ekin = 2.87341969180383 | erot = 1.62004287774022 | epot = -21.1593315472343 | etot = -16.6658689776903 -142000 ekin = 2.77198594269117 | erot = 1.82883994332524 | epot = -21.1253786225535 | etot = -16.5245527365371 -143000 ekin = 2.66544385214397 | erot = 1.70763016025297 | epot = -21.1194742186356 | etot = -16.7464002062387 -144000 ekin = 2.64364564452786 | erot = 2.02089778883362 | epot = -21.1558312252309 | etot = -16.4912877918694 -145000 ekin = 2.58320561695141 | erot = 2.33928617610571 | epot = -21.1972194246108 | etot = -16.2747276315537 -146000 ekin = 2.59582465617015 | erot = 2.39139100798266 | epot = -21.2181779484861 | etot = -16.2309622843333 -147000 ekin = 2.57433616776254 | erot = 2.62068830532513 | epot = -21.2035776919779 | etot = -16.0085532188902 -148000 ekin = 2.66661322554079 | erot = 2.64858494989764 | epot = -21.1567312792461 | etot = -15.8415331038077 -149000 ekin = 2.60767807433569 | erot = 2.2443534552845 | epot = -21.1005834026185 | etot = -16.2485518729983 -150000 ekin = 2.54139526377891 | erot = 2.28883985685592 | epot = -21.0349331020296 | etot = -16.2046979813948 -151000 ekin = 2.54322194136655 | erot = 2.35864839828535 | epot = -20.9724639116438 | etot = -16.0705935719919 -152000 ekin = 2.56796491103015 | erot = 2.43023333349196 | epot = -20.9157846601099 | etot = -15.9175864155878 -153000 ekin = 2.51372807626571 | erot = 2.39277188889786 | epot = -20.8708281017582 | etot = -15.9643281365947 -154000 ekin = 2.56425050300777 | erot = 2.55681269376796 | epot = -20.820806189713 | etot = -15.6997429929373 -155000 ekin = 2.54836883214872 | erot = 2.77382882086449 | epot = -20.7512322840952 | etot = -15.4290346310819 -156000 ekin = 2.5043034111557 | erot = 2.84536424459339 | epot = -20.6831823234817 | etot = -15.3335146677326 -157000 ekin = 2.50400336317658 | erot = 2.74300988092659 | epot = -20.6024983277711 | etot = -15.3554850836679 -158000 ekin = 2.46635677816755 | erot = 2.72725266952939 | epot = -20.3927742179106 | etot = -15.1991647702137 -159000 ekin = 2.41243392896904 | erot = 2.89017327284231 | epot = -20.3716899613966 | etot = -15.0690827595852 -160000 ekin = 2.44543789794343 | erot = 2.94805496717105 | epot = -20.5757394278764 | etot = -15.182246562762 -161000 ekin = 2.48584882392462 | erot = 3.0855000004303 | epot = -20.7243276115621 | etot = -15.1529787872072 -162000 ekin = 2.63092470794179 | erot = 2.84912777185641 | epot = -20.8061639431944 | etot = -15.3261114633962 -163000 ekin = 2.72019716465019 | erot = 2.95674331723606 | epot = -20.9203905101816 | etot = -15.2434500282953 -164000 ekin = 2.85144745755518 | erot = 2.79837544407189 | epot = -21.059920844175 | etot = -15.4100979425479 -165000 ekin = 3.01926698163447 | erot = 2.57598017599233 | epot = -21.2160748663888 | etot = -15.620827708762 -166000 ekin = 3.1597503290263 | erot = 2.53424140536847 | epot = -21.3722197077627 | etot = -15.6782279733679 -167000 ekin = 3.28010263683416 | erot = 2.66118639042397 | epot = -21.5168932797697 | etot = -15.5756042525116 -168000 ekin = 3.30088936113466 | erot = 2.65708015641673 | epot = -21.6596207437233 | etot = -15.7016512261719 -169000 ekin = 3.47029246215385 | erot = 2.25395751697306 | epot = -21.7742578136394 | etot = -16.0500078345125 -170000 ekin = 3.70050747267222 | erot = 2.16365167905449 | epot = -21.874839145911 | etot = -16.0106799941843 -171000 ekin = 3.84839140735084 | erot = 1.87628165448692 | epot = -21.9555399182122 | etot = -16.2308668563745 -172000 ekin = 3.95026415662096 | erot = 1.96481352720162 | epot = -21.9987319268215 | etot = -16.083654242999 -173000 ekin = 3.92397418949733 | erot = 2.14024865545683 | epot = -21.9962461659819 | etot = -15.9320233210278 -174000 ekin = 3.91787773957974 | erot = 2.15382550531679 | epot = -21.9649412516534 | etot = -15.8932380067568 -175000 ekin = 3.92478898493237 | erot = 1.81413864863455 | epot = -21.8860588210322 | etot = -16.1471311874653 -176000 ekin = 3.61843418337274 | erot = 1.68410090365154 | epot = -21.786103239384 | etot = -16.4835681523598 -177000 ekin = 3.4377743722168 | erot = 1.50869914434537 | epot = -21.6530103766415 | etot = -16.7065368600793 -178000 ekin = 3.29404805426692 | erot = 1.54702143204467 | epot = -21.5151124491373 | etot = -16.6740429628257 -179000 ekin = 3.15559273998204 | erot = 1.8346142003624 | epot = -21.384626452117 | etot = -16.3944195117726 -180000 ekin = 3.11144262168977 | erot = 1.96187195470704 | epot = -21.2631791815958 | etot = -16.1898646051989 -181000 ekin = 2.86058839708627 | erot = 1.9791666278232 | epot = -21.1736204719048 | etot = -16.3338654469954 -182000 ekin = 2.73358163055365 | erot = 2.08235166110568 | epot = -21.1163854347032 | etot = -16.3004521430439 -183000 ekin = 2.78667823921493 | erot = 2.14955927554272 | epot = -21.0704997912635 | etot = -16.1342622765058 -184000 ekin = 2.74700284417942 | erot = 2.17568363892107 | epot = -21.0417241927554 | etot = -16.1190377096549 -185000 ekin = 2.712067005484 | erot = 2.43154766133345 | epot = -21.0534073134643 | etot = -15.9097926466468 -186000 ekin = 2.70473969876207 | erot = 2.54763882184431 | epot = -21.0771037789773 | etot = -15.824725258371 -187000 ekin = 2.69011328843059 | erot = 2.42677059090821 | epot = -21.1334063747327 | etot = -16.0165224953939 -188000 ekin = 2.63139574425883 | erot = 2.47663409366879 | epot = -21.2056416357497 | etot = -16.0976117978221 -189000 ekin = 2.52625691649438 | erot = 2.3681103054878 | epot = -21.2763445168884 | etot = -16.3819772949062 -190000 ekin = 2.55070314102265 | erot = 2.46381370096641 | epot = -21.3751397733681 | etot = -16.3606229313791 -191000 ekin = 2.62917079754897 | erot = 2.67833301813009 | epot = -21.4532628428639 | etot = -16.1457590271848 -192000 ekin = 2.58870583923174 | erot = 3.04288815538934 | epot = -21.5216329873862 | etot = -15.8900389927651 -193000 ekin = 2.57473296407416 | erot = 2.98273386984072 | epot = -21.5752070232355 | etot = -16.0177401893206 -194000 ekin = 2.55188197567089 | erot = 3.53664565918029 | epot = -21.6029115846235 | etot = -15.5143839497724 -195000 ekin = 2.37005947654562 | erot = 3.88569194357622 | epot = -21.5199791042825 | etot = -15.2642276841606 -196000 ekin = 2.24643312652479 | erot = 3.89236383309536 | epot = -21.4290282307872 | etot = -15.2902312711671 -197000 ekin = 2.08212744149216 | erot = 3.73392747991452 | epot = -21.3909391389937 | etot = -15.574884217587 -198000 ekin = 1.99546802101167 | erot = 3.31869767813097 | epot = -21.3106385880562 | etot = -15.9964728889136 -199000 ekin = 1.88808259694768 | erot = 3.05651027418434 | epot = -21.1932358978994 | etot = -16.2486430267674 -200000 ekin = 1.86182600189617 | erot = 3.12152068869519 | epot = -21.1112046099847 | etot = -16.1278579193933 -201000 ekin = 1.97052135402485 | erot = 2.56337970690564 | epot = -21.081815037023 | etot = -16.5479139760925 -202000 ekin = 1.96444489641647 | erot = 2.52188298721408 | epot = -21.0909969362213 | etot = -16.6046690525908 -203000 ekin = 2.02727163636658 | erot = 2.40435818767024 | epot = -21.1422876293972 | etot = -16.7106578053604 -204000 ekin = 2.08583315864169 | erot = 2.40223613667985 | epot = -21.2224635405408 | etot = -16.7343942452193 -205000 ekin = 2.20775264966635 | erot = 2.45569503503489 | epot = -21.3216506287514 | etot = -16.6582029440502 -206000 ekin = 2.3252558114439 | erot = 2.44338569524396 | epot = -21.4263895154157 | etot = -16.6577480087279 -207000 ekin = 2.39884741653078 | erot = 2.19219588140548 | epot = -21.5586341308419 | etot = -16.9675908329056 -208000 ekin = 2.5417416133168 | erot = 2.02043086482636 | epot = -21.7018700931409 | etot = -17.1396976149977 -209000 ekin = 2.6346029520279 | erot = 2.00847282239021 | epot = -21.8765502984946 | etot = -17.2334745240765 -210000 ekin = 2.81803535020483 | erot = 2.15132327942401 | epot = -22.0655129469125 | etot = -17.0961543172836 -211000 ekin = 2.8544966933983 | erot = 2.00032723609073 | epot = -22.2569212397587 | etot = -17.4020973102697 -212000 ekin = 2.93298840099946 | erot = 2.18896574432203 | epot = -22.4295331026806 | etot = -17.3075789573591 -213000 ekin = 3.04393339596819 | erot = 2.16674803090435 | epot = -22.5865045861155 | etot = -17.3758231592429 -214000 ekin = 3.17687786434383 | erot = 1.9320460445079 | epot = -22.7049386266082 | etot = -17.5960147177564 -215000 ekin = 3.23140803215869 | erot = 1.91093387521923 | epot = -22.7702150399471 | etot = -17.6278731325691 -216000 ekin = 3.23213410508674 | erot = 1.8676094366755 | epot = -22.8077327389954 | etot = -17.7079891972331 -217000 ekin = 3.29951241617981 | erot = 1.99642477225938 | epot = -22.8230103446112 | etot = -17.527073156172 -218000 ekin = 3.29737584458636 | erot = 1.96274603890197 | epot = -22.8136249789525 | etot = -17.5535030954641 -219000 ekin = 3.23565881897553 | erot = 1.94555976805409 | epot = -22.8103460409254 | etot = -17.6291274538957 -220000 ekin = 3.19248478951652 | erot = 2.1454971546158 | epot = -22.8135403395689 | etot = -17.4755583954366 -221000 ekin = 3.08489658572221 | erot = 2.35182511982451 | epot = -22.7936924594888 | etot = -17.356970753942 -222000 ekin = 2.98911659742777 | erot = 2.24286093437231 | epot = -22.7593104849619 | etot = -17.5273329531618 -223000 ekin = 2.94028114747171 | erot = 2.45179850593564 | epot = -22.7094689680864 | etot = -17.3173893146791 -224000 ekin = 2.86327223103166 | erot = 2.45496570504129 | epot = -22.6840408073417 | etot = -17.3658028712688 -225000 ekin = 2.86217589447829 | erot = 2.64576978314411 | epot = -22.7094594459947 | etot = -17.2015137683723 -226000 ekin = 2.81421750908743 | erot = 2.65054275980961 | epot = -22.7920788909684 | etot = -17.3273186220714 -227000 ekin = 2.76125022534676 | erot = 2.53291854231086 | epot = -22.8714022097527 | etot = -17.577233442095 -228000 ekin = 2.78877138535049 | erot = 2.36581554391 | epot = -22.9403431333365 | etot = -17.785756204076 -229000 ekin = 2.72891406599667 | erot = 2.3676118984917 | epot = -22.9752057147158 | etot = -17.8786797502274 -230000 ekin = 2.73218055588349 | erot = 2.27179336612923 | epot = -22.9619591335888 | etot = -17.957985211576 -231000 ekin = 2.78238304060714 | erot = 2.56004300399624 | epot = -22.9015540669898 | etot = -17.5591280223865 -232000 ekin = 2.70574670734534 | erot = 2.20917728909302 | epot = -22.8024125768836 | etot = -17.8874885804452 -233000 ekin = 2.64840920464742 | erot = 2.10191715204331 | epot = -22.6817951010109 | etot = -17.9314687443202 -234000 ekin = 2.61941879874168 | erot = 1.89218225093232 | epot = -22.5506641543627 | etot = -18.0390631046887 -235000 ekin = 2.59340202709224 | erot = 1.81296941612975 | epot = -22.4559841307523 | etot = -18.0496126875303 -236000 ekin = 2.51387645324668 | erot = 1.87601834806579 | epot = -22.36020773658 | etot = -17.9703129352675 -237000 ekin = 2.4869760697627 | erot = 1.8872559853993 | epot = -22.2423219253942 | etot = -17.8680898702322 -238000 ekin = 2.4616064489039 | erot = 1.69677740799995 | epot = -22.1532316635744 | etot = -17.9948478066705 -239000 ekin = 2.42201063037747 | erot = 1.70150164392287 | epot = -22.1281108141978 | etot = -18.0045985398974 -240000 ekin = 2.37084323379687 | erot = 1.98736224075235 | epot = -22.1423976045622 | etot = -17.784192130013 -241000 ekin = 2.37738836540319 | erot = 2.31585984211781 | epot = -22.1830534944815 | etot = -17.4898052869605 -242000 ekin = 2.41676243464678 | erot = 2.5528014206363 | epot = -22.1811996624362 | etot = -17.2116358071531 -243000 ekin = 2.33148792530051 | erot = 2.76551405431946 | epot = -22.1959816056367 | etot = -17.0989796260167 -244000 ekin = 2.38360456402087 | erot = 2.74375775378546 | epot = -22.353019513755 | etot = -17.2256571959487 -245000 ekin = 2.33752620010189 | erot = 2.63541001293064 | epot = -22.5037249285206 | etot = -17.5307887154881 -246000 ekin = 2.25775984192156 | erot = 2.49145900746122 | epot = -22.6039669429677 | etot = -17.8547480935849 -247000 ekin = 2.20328096321354 | erot = 2.51295988229199 | epot = -22.6897860502885 | etot = -17.9735452047829 -248000 ekin = 2.112151354048 | erot = 2.38179652938581 | epot = -22.7654961945531 | etot = -18.2715483111193 -249000 ekin = 2.18103243553702 | erot = 2.12199506651665 | epot = -22.8086866218617 | etot = -18.5056591198081 -250000 ekin = 2.00642865007494 | erot = 2.13785268765967 | epot = -22.7981127674597 | etot = -18.6538314297251 -251000 ekin = 2.0081090206784 | erot = 2.15377771615681 | epot = -22.7541924896506 | etot = -18.5923057528154 -252000 ekin = 2.04967696381093 | erot = 2.10564030292912 | epot = -22.7175683002137 | etot = -18.5622510334737 -253000 ekin = 1.97178429049464 | erot = 2.56395759404191 | epot = -22.6833423138514 | etot = -18.1476004293148 -254000 ekin = 1.89998560000744 | erot = 2.7644634625402 | epot = -22.652550739486 | etot = -17.9881016769384 -255000 ekin = 1.92358808504085 | erot = 2.82321806552328 | epot = -22.6339519254389 | etot = -17.8871457748748 -256000 ekin = 1.8853792482747 | erot = 2.39478935532051 | epot = -22.6063238269834 | etot = -18.3261552233881 -257000 ekin = 1.89017314858323 | erot = 2.47354789341061 | epot = -22.5844642699129 | etot = -18.2207432279191 -258000 ekin = 2.03347535796375 | erot = 2.0639166704276 | epot = -22.5636266221106 | etot = -18.4662345937192 -259000 ekin = 2.08170419875297 | erot = 1.98311262235166 | epot = -22.5595893965745 | etot = -18.4947725754699 -260000 ekin = 2.15465691022489 | erot = 1.92890944309583 | epot = -22.5702550804875 | etot = -18.4866887271667 -261000 ekin = 2.1852590897665 | erot = 1.8066804326572 | epot = -22.5996038556691 | etot = -18.6076643332454 -262000 ekin = 2.39558735865994 | erot = 1.7710110990717 | epot = -22.6433503794796 | etot = -18.476751921748 -263000 ekin = 2.51566381481672 | erot = 1.74502710268517 | epot = -22.7083481578159 | etot = -18.4476572403141 -264000 ekin = 2.61294097754958 | erot = 1.72004349105586 | epot = -22.787072777371 | etot = -18.4540883087656 -265000 ekin = 2.69751103648208 | erot = 1.73596878524942 | epot = -22.876113825704 | etot = -18.4426340039725 -266000 ekin = 2.73317595749248 | erot = 2.00190945895265 | epot = -22.9815854287863 | etot = -18.2465000123412 -267000 ekin = 2.88777944401859 | erot = 2.03601396733327 | epot = -23.0741467375983 | etot = -18.1503533262464 -268000 ekin = 2.88428212564758 | erot = 2.3921025045242 | epot = -23.1701763705664 | etot = -17.8937917403946 -269000 ekin = 2.94011387527547 | erot = 2.47436168171159 | epot = -23.2463195301015 | etot = -17.8318439731145 -270000 ekin = 3.16907204765191 | erot = 2.44558507843772 | epot = -23.2623613561913 | etot = -17.6477042301017 -271000 ekin = 3.2333039510143 | erot = 2.22964844922974 | epot = -23.2347949376338 | etot = -17.7718425373897 -272000 ekin = 3.25903447141499 | erot = 2.27670268800702 | epot = -23.1776976604854 | etot = -17.6419605010634 -273000 ekin = 3.33084558602097 | erot = 2.3473050651847 | epot = -23.0897292017611 | etot = -17.4115785505554 -274000 ekin = 3.13365175221761 | erot = 2.28906991347369 | epot = -22.970791629232 | etot = -17.5480699635407 -275000 ekin = 3.06411601298027 | erot = 2.05657284383682 | epot = -22.8411592683854 | etot = -17.7204704115683 -276000 ekin = 3.00284299412667 | erot = 2.41503398631213 | epot = -22.700654835852 | etot = -17.2827778554132 -277000 ekin = 2.88988536066512 | erot = 2.56679455786094 | epot = -22.5600288715065 | etot = -17.1033489529804 -278000 ekin = 2.79983988341306 | erot = 2.44718365696948 | epot = -22.4337020220078 | etot = -17.1866784816253 -279000 ekin = 2.62025699943799 | erot = 2.34403355986971 | epot = -22.3217153271847 | etot = -17.357424767877 -280000 ekin = 2.65113378626865 | erot = 2.38211104337876 | epot = -22.213634072387 | etot = -17.1803892427396 -281000 ekin = 2.56011045257063 | erot = 2.14040765533489 | epot = -22.1467069298696 | etot = -17.446188821964 -282000 ekin = 2.46937295979428 | erot = 2.08425434958577 | epot = -22.1062066499082 | etot = -17.5525793405281 -283000 ekin = 2.44420819687498 | erot = 1.8804700883888 | epot = -22.0682236162877 | etot = -17.7435453310239 -284000 ekin = 2.39435456980274 | erot = 2.14903249361609 | epot = -22.0569027581283 | etot = -17.5135156947095 -285000 ekin = 2.3970352250904 | erot = 2.56964603915915 | epot = -22.0888499478263 | etot = -17.1221686835767 -286000 ekin = 2.43717149651532 | erot = 2.84247600307286 | epot = -22.1412346796126 | etot = -16.8615871800244 -287000 ekin = 2.31664233692346 | erot = 2.84674819551605 | epot = -22.1861386782241 | etot = -17.0227481457846 -288000 ekin = 2.26607109317387 | erot = 3.21299363478899 | epot = -22.2378784042867 | etot = -16.7588136763238 -289000 ekin = 2.29584076229561 | erot = 3.11249259323246 | epot = -22.2883115241199 | etot = -16.8799781685918 -290000 ekin = 2.2304990206166 | erot = 2.87013105088144 | epot = -22.31434015915 | etot = -17.213710087652 -291000 ekin = 2.21755828984435 | erot = 2.71274244030915 | epot = -22.3410646593233 | etot = -17.4107639291698 -292000 ekin = 2.21317296232834 | erot = 2.69582872791191 | epot = -22.3827626255974 | etot = -17.4737609353572 -293000 ekin = 2.23081262903896 | erot = 2.60204748252234 | epot = -22.4352222519782 | etot = -17.6023621404169 -294000 ekin = 2.26311425147052 | erot = 3.03410577179159 | epot = -22.4683441344049 | etot = -17.1711241111428 -295000 ekin = 2.28122075778682 | erot = 2.86887170599451 | epot = -22.4906039301706 | etot = -17.3405114663893 -296000 ekin = 2.26383415546926 | erot = 2.78467774936793 | epot = -22.512972044678 | etot = -17.4644601398408 -297000 ekin = 2.33825045335869 | erot = 2.98513561564364 | epot = -22.5191664894368 | etot = -17.1957804204345 -298000 ekin = 2.37786827340735 | erot = 2.85984647447046 | epot = -22.5058515980851 | etot = -17.2681368502073 -299000 ekin = 2.32052037098622 | erot = 2.69480633982959 | epot = -22.4889248916846 | etot = -17.4735981808687 -300000 ekin = 2.30322327761376 | erot = 2.72939848613209 | epot = -22.4591258064481 | etot = -17.4265040427023 -301000 ekin = 2.29995331731943 | erot = 2.60777958693866 | epot = -22.4102468930605 | etot = -17.5025139888024 -302000 ekin = 2.31454372799491 | erot = 2.67298740529848 | epot = -22.3501115787882 | etot = -17.3625804454948 -303000 ekin = 2.4057635722635 | erot = 2.41520690493577 | epot = -22.2832063980303 | etot = -17.462235920831 -304000 ekin = 2.35524162584705 | erot = 2.05432603043707 | epot = -22.2112103404667 | etot = -17.8016426841826 -305000 ekin = 2.30537591124517 | erot = 1.98023337779149 | epot = -22.1649123466498 | etot = -17.8793030576131 -306000 ekin = 2.32478727778818 | erot = 1.89519445956124 | epot = -22.1442852026109 | etot = -17.9243034652615 -307000 ekin = 2.41423624130649 | erot = 1.91431870573664 | epot = -22.1548620004649 | etot = -17.8263070534218 -308000 ekin = 2.44675290257478 | erot = 2.31210197406256 | epot = -22.2055558309842 | etot = -17.4467009543468 -309000 ekin = 2.45673374131202 | erot = 2.16129470434173 | epot = -22.2742892000821 | etot = -17.6562607544283 -310000 ekin = 2.5816765776324 | erot = 2.43846943017109 | epot = -22.3327423848022 | etot = -17.3125963769987 -311000 ekin = 2.52939449011354 | erot = 2.76106281819526 | epot = -22.3705094869032 | etot = -17.0800521785944 -312000 ekin = 2.52610661112941 | erot = 2.98071467503416 | epot = -22.3866205343173 | etot = -16.8797992481538 -313000 ekin = 2.5240567165484 | erot = 2.80377255965813 | epot = -22.4049055192049 | etot = -17.0770762429984 -314000 ekin = 2.65040443727043 | erot = 2.69900889453188 | epot = -22.3876700619111 | etot = -17.0382567301088 -315000 ekin = 2.74472815623847 | erot = 2.66340996418727 | epot = -22.3592685134388 | etot = -16.951130393013 -316000 ekin = 2.83270806183616 | erot = 2.68346240186182 | epot = -22.3041387808832 | etot = -16.7879683171853 -317000 ekin = 2.98267354986778 | erot = 2.49998910531225 | epot = -22.2250773416349 | etot = -16.7424146864549 -318000 ekin = 2.95159865011169 | erot = 2.46437525131283 | epot = -22.1605195993974 | etot = -16.7445456979729 -319000 ekin = 2.99544196834471 | erot = 2.37119170515196 | epot = -22.0922506560637 | etot = -16.725616982567 -320000 ekin = 3.12952415968031 | erot = 2.25302267428102 | epot = -22.019340284027 | etot = -16.6367934500656 -321000 ekin = 3.21184303812898 | erot = 2.03139593747186 | epot = -21.9793920725112 | etot = -16.7361530969103 -322000 ekin = 3.32994096856484 | erot = 2.34110893676891 | epot = -21.976319235169 | etot = -16.3052693298352 -323000 ekin = 3.41272790799865 | erot = 2.43631206380514 | epot = -22.0140123354235 | etot = -16.1649723636197 -324000 ekin = 3.63714885281349 | erot = 1.9465124176185 | epot = -22.088735892451 | etot = -16.505074622019 -325000 ekin = 3.64965023300834 | erot = 1.83594979903828 | epot = -22.1597106232423 | etot = -16.6741105911957 -326000 ekin = 3.7993132385246 | erot = 1.60564512903883 | epot = -22.2163199739485 | etot = -16.8113616063851 -327000 ekin = 3.85106864316211 | erot = 1.8544923321543 | epot = -22.2856422481554 | etot = -16.580081272839 -328000 ekin = 3.95505458701141 | erot = 2.12895030409338 | epot = -22.341235179965 | etot = -16.2572302888602 -329000 ekin = 3.96560356728828 | erot = 2.06124066393336 | epot = -22.375273676819 | etot = -16.3484294455974 -330000 ekin = 4.00004269284724 | erot = 2.01808790805426 | epot = -22.3671090028812 | etot = -16.3489784019797 -331000 ekin = 3.84205146855943 | erot = 1.89603876125699 | epot = -22.3128837484492 | etot = -16.5747935186328 -332000 ekin = 3.66184063362548 | erot = 2.39349988256136 | epot = -22.2576238736144 | etot = -16.2022833574276 -333000 ekin = 3.52628969259455 | erot = 2.20415103930269 | epot = -22.1847867511304 | etot = -16.4543460192331 -334000 ekin = 3.34377798013965 | erot = 2.36266544381965 | epot = -22.1376045131508 | etot = -16.4311610891915 -335000 ekin = 3.23745330446362 | erot = 2.56905504387933 | epot = -22.1187474004991 | etot = -16.3122390521561 -336000 ekin = 3.15020041660115 | erot = 2.76447823600581 | epot = -22.1164491906302 | etot = -16.2017705380232 -337000 ekin = 2.95647753165982 | erot = 3.39203265805591 | epot = -22.1578850568604 | etot = -15.8093748671446 -338000 ekin = 2.77494351817588 | erot = 3.38702940437079 | epot = -22.202861556972 | etot = -16.0408886344253 -339000 ekin = 2.56974792274944 | erot = 3.36393768621199 | epot = -22.2430377961408 | etot = -16.3093521871794 -340000 ekin = 2.54624997134431 | erot = 3.18838906080724 | epot = -22.2696997292611 | etot = -16.5350606971095 -341000 ekin = 2.46680453333096 | erot = 3.23666697035712 | epot = -22.271405486473 | etot = -16.5679339827849 -342000 ekin = 2.41970796988162 | erot = 3.10075257077717 | epot = -22.2625825508722 | etot = -16.7421220102134 -343000 ekin = 2.39134830962091 | erot = 2.99983011061325 | epot = -22.2626100438684 | etot = -16.8714316236342 -344000 ekin = 2.40072375544811 | erot = 3.07461576439211 | epot = -22.2332671874545 | etot = -16.7579276676142 -345000 ekin = 2.47818664391048 | erot = 3.0187860642563 | epot = -22.1765310886862 | etot = -16.6795583805194 -346000 ekin = 2.42322520039712 | erot = 2.49312120205076 | epot = -22.1072756725382 | etot = -17.1909292700903 -347000 ekin = 2.50705041682171 | erot = 2.52533205787059 | epot = -22.0719334103213 | etot = -17.039550935629 -348000 ekin = 2.50030685159476 | erot = 2.73825503551145 | epot = -22.0270671882385 | etot = -16.7885053011322 -349000 ekin = 2.60963103698133 | erot = 2.79443949989289 | epot = -21.9800449664782 | etot = -16.5759744296039 -350000 ekin = 2.57407872164997 | erot = 2.87849433187397 | epot = -21.9210551857959 | etot = -16.468482132272 -351000 ekin = 2.60900955228816 | erot = 2.47335254246402 | epot = -21.9029016387205 | etot = -16.8205395439683 -352000 ekin = 2.68632626573676 | erot = 2.16861659144726 | epot = -21.8932933758344 | etot = -17.0383505186504 -353000 ekin = 2.72806527094876 | erot = 2.21631476958766 | epot = -21.8949965382939 | etot = -16.9506164977575 -354000 ekin = 2.80926057411823 | erot = 2.29356292718614 | epot = -21.9255698630403 | etot = -16.8227463617359 -355000 ekin = 2.82955370341647 | erot = 2.23886374167674 | epot = -21.9739881370165 | etot = -16.9055706919233 -356000 ekin = 2.95318161283299 | erot = 2.20593846887508 | epot = -22.0378541396093 | etot = -16.8787340579012 -357000 ekin = 3.00516452100415 | erot = 2.39489434202976 | epot = -22.1045635884317 | etot = -16.7045047253978 -358000 ekin = 3.14013674094321 | erot = 2.81648025756423 | epot = -22.1940030034415 | etot = -16.237386004934 -359000 ekin = 3.24895307320306 | erot = 2.89756918684587 | epot = -22.2894356246554 | etot = -16.1429133646064 -360000 ekin = 3.29499898808933 | erot = 2.69446962924553 | epot = -22.3827935430047 | etot = -16.3933249256699 -361000 ekin = 3.31826252960456 | erot = 3.08121996997187 | epot = -22.3855376265962 | etot = -15.9860551270198 -362000 ekin = 3.22507380499808 | erot = 2.94494755594777 | epot = -22.1939077776813 | etot = -16.0238864167354 -363000 ekin = 3.31998300083524 | erot = 2.84571871387882 | epot = -22.1418339144076 | etot = -15.9761321996935 -364000 ekin = 3.46138826026378 | erot = 3.17267347021667 | epot = -22.2920001905049 | etot = -15.6579384600244 -365000 ekin = 3.41685157685527 | erot = 2.95127990795427 | epot = -22.240326005598 | etot = -15.8721945207884 -366000 ekin = 3.28889153330098 | erot = 2.68298751094302 | epot = -22.0917647614673 | etot = -16.1198857172233 -367000 ekin = 3.13188043782657 | erot = 2.32272362557592 | epot = -21.9624425815386 | etot = -16.5078385181361 -368000 ekin = 3.05635233611774 | erot = 2.49179825174051 | epot = -21.8924084965111 | etot = -16.3442579086529 -369000 ekin = 2.97979500179328 | erot = 2.09677594955095 | epot = -21.8535972953631 | etot = -16.7770263440189 -370000 ekin = 2.86265256457595 | erot = 2.27837964431441 | epot = -21.8636474872574 | etot = -16.722615278367 -371000 ekin = 2.81676366518709 | erot = 2.51005420363845 | epot = -21.8612307947661 | etot = -16.5344129259405 -372000 ekin = 2.89056214524116 | erot = 2.17924443857032 | epot = -21.8465926809761 | etot = -16.7767860971646 -373000 ekin = 2.8570298581495 | erot = 2.22607119851538 | epot = -21.8235708010655 | etot = -16.7404697444006 -374000 ekin = 2.69116258554315 | erot = 2.54595039875577 | epot = -21.8020300439681 | etot = -16.5649170596691 -375000 ekin = 2.65367735566843 | erot = 2.84882366948601 | epot = -21.7972775666776 | etot = -16.2947765415232 -376000 ekin = 2.56541501683978 | erot = 3.15381436306351 | epot = -21.8007765642059 | etot = -16.0815471843026 -377000 ekin = 2.51617117441618 | erot = 3.3450646638395 | epot = -21.7780898056687 | etot = -15.916853967413 -378000 ekin = 2.39886036582813 | erot = 3.14706842402749 | epot = -21.7384304892538 | etot = -16.1925016993981 -379000 ekin = 2.3253462058556 | erot = 2.94670382278376 | epot = -21.6782824657577 | etot = -16.4062324371184 -380000 ekin = 2.15266052745908 | erot = 3.4385709524693 | epot = -21.603829406221 | etot = -16.0125979262926 -381000 ekin = 2.13714114193707 | erot = 3.11249169114188 | epot = -21.5367992698036 | etot = -16.2871664367247 -382000 ekin = 2.05496339747556 | erot = 3.44869747601523 | epot = -21.4764708985237 | etot = -15.972810025033 -383000 ekin = 2.03169806552601 | erot = 3.38753191033151 | epot = -21.41731912066 | etot = -15.9980891448025 -384000 ekin = 1.95364649921204 | erot = 3.35746983585197 | epot = -21.3597667304036 | etot = -16.0486503953396 -385000 ekin = 1.95295295831859 | erot = 3.20059142565729 | epot = -21.3242192311683 | etot = -16.1706748471924 -386000 ekin = 2.03545459887455 | erot = 2.63337254678625 | epot = -21.3197581171679 | etot = -16.6509309715071 -387000 ekin = 2.08744315207298 | erot = 2.67515413940826 | epot = -21.3219783057837 | etot = -16.5593810143025 -388000 ekin = 2.10460844408253 | erot = 2.63750027619805 | epot = -21.3534873824529 | etot = -16.6113786621724 -389000 ekin = 2.13617356385001 | erot = 2.49874264909327 | epot = -21.4010667143315 | etot = -16.7661505013883 -390000 ekin = 2.21418863130718 | erot = 2.61354129728496 | epot = -21.4597800849526 | etot = -16.6320501563605 -391000 ekin = 2.30830767897515 | erot = 2.4215513814523 | epot = -21.5215483863442 | etot = -16.7916893259168 -392000 ekin = 2.30978428581522 | erot = 2.27021166226852 | epot = -21.5693953401794 | etot = -16.9893993920957 -393000 ekin = 2.43507049787362 | erot = 2.19525621528512 | epot = -21.6165022301659 | etot = -16.9861755170072 -394000 ekin = 2.48175272100126 | erot = 1.97403757750059 | epot = -21.643553588929 | etot = -17.1877632904271 -395000 ekin = 2.57078024352592 | erot = 1.94477022107788 | epot = -21.7032003447496 | etot = -17.1876498801457 -396000 ekin = 2.63856854694597 | erot = 2.15467094485357 | epot = -21.7518329108742 | etot = -16.9585934190747 -397000 ekin = 2.67333204158365 | erot = 2.1041553022136 | epot = -21.787492252614 | etot = -17.0100049088167 -398000 ekin = 2.7165721744556 | erot = 2.27260876442706 | epot = -21.7955669580493 | etot = -16.8063860191666 -399000 ekin = 2.74052903416011 | erot = 1.98188508417864 | epot = -21.7850112801672 | etot = -17.0625971618285 -400000 ekin = 2.72461700644124 | erot = 1.79309630627408 | epot = -21.7479203148977 | etot = -17.2302070021823 -401000 ekin = 2.67821010319074 | erot = 1.80652566016293 | epot = -21.698608702759 | etot = -17.2138729394054 -402000 ekin = 2.66678843641966 | erot = 1.99143851830836 | epot = -21.6166886330482 | etot = -16.9584616783202 -403000 ekin = 2.71498615143731 | erot = 2.00496282624765 | epot = -21.5303765730254 | etot = -16.8104275953404 -404000 ekin = 2.72798047530906 | erot = 1.97802766069345 | epot = -21.4249267789287 | etot = -16.7189186429262 -405000 ekin = 2.65655813266529 | erot = 1.93167942695887 | epot = -21.3111486584607 | etot = -16.7229110988365 -406000 ekin = 2.60702986991693 | erot = 1.76285472093939 | epot = -21.1926812354134 | etot = -16.8227966445571 -407000 ekin = 2.48234362601344 | erot = 1.89687727619143 | epot = -21.0701942151536 | etot = -16.6909733129487 -408000 ekin = 2.49227529739275 | erot = 2.21804348518165 | epot = -20.9209091795071 | etot = -16.2105903969327 -409000 ekin = 2.2814751296365 | erot = 2.33822783370113 | epot = -20.7906871723623 | etot = -16.1709842090246 -410000 ekin = 2.17062635902599 | erot = 2.33410289107624 | epot = -20.7498754299763 | etot = -16.245146179874 -411000 ekin = 2.17272870653954 | erot = 2.21566346266576 | epot = -20.7111946304982 | etot = -16.3228024612929 -412000 ekin = 2.18233973422082 | erot = 1.9503355575729 | epot = -20.6834214582715 | etot = -16.5507461664778 -413000 ekin = 2.30890718881929 | erot = 2.07021554036486 | epot = -20.6873588522823 | etot = -16.3082361230982 -414000 ekin = 2.33564543866434 | erot = 1.99840226970561 | epot = -20.7252533334275 | etot = -16.3912056250575 -415000 ekin = 2.3828428990009 | erot = 2.11597172640877 | epot = -20.8097694536975 | etot = -16.3109548282878 -416000 ekin = 2.4891981967793 | erot = 2.33259772891839 | epot = -20.9508447049435 | etot = -16.1290487792458 -417000 ekin = 2.54526036986856 | erot = 2.55910512686826 | epot = -21.1274289862993 | etot = -16.0230634895625 -418000 ekin = 2.51632809206367 | erot = 2.72037030682998 | epot = -21.2997759305309 | etot = -16.0630775316373 -419000 ekin = 2.67295573593454 | erot = 2.77715355803624 | epot = -21.4556263294562 | etot = -16.0055170354854 -420000 ekin = 2.85018483582368 | erot = 2.31598006691992 | epot = -21.5980960673048 | etot = -16.4319311645612 -421000 ekin = 2.96837524337248 | erot = 2.6268245252954 | epot = -21.7546670845076 | etot = -16.1594673158397 -422000 ekin = 3.19012922154569 | erot = 2.84396098635293 | epot = -21.9215374215569 | etot = -15.8874472136583 -423000 ekin = 3.36893935507836 | erot = 2.63026872290732 | epot = -22.0572951448102 | etot = -16.0580870668246 -424000 ekin = 3.56949208720939 | erot = 2.47035354176304 | epot = -22.1637806318815 | etot = -16.1239350029091 -425000 ekin = 3.74058915148745 | erot = 2.35112257121758 | epot = -22.2380669505815 | etot = -16.1463552278764 -426000 ekin = 3.80317641902157 | erot = 2.35606913247661 | epot = -22.2959429720034 | etot = -16.1366974205052 -427000 ekin = 3.84305942013392 | erot = 2.33548874740528 | epot = -22.3376365509403 | etot = -16.1590883834011 -428000 ekin = 3.83870631322379 | erot = 2.23506863760186 | epot = -22.3684501057751 | etot = -16.2946751549495 -429000 ekin = 3.88817033525596 | erot = 2.49183581120231 | epot = -22.3756888085914 | etot = -15.9956826621331 -430000 ekin = 3.80889051818661 | erot = 2.40484189761628 | epot = -22.3570018637867 | etot = -16.1432694479838 -431000 ekin = 3.77310947248878 | erot = 2.27913524660278 | epot = -22.3205980214877 | etot = -16.2683533023961 -432000 ekin = 3.52274921334608 | erot = 2.24573259199209 | epot = -22.2753655924894 | etot = -16.5068837871512 -433000 ekin = 3.46705236442823 | erot = 2.20376216835521 | epot = -22.2487474226526 | etot = -16.5779328898691 -434000 ekin = 3.3190237946751 | erot = 2.11029295350201 | epot = -22.2098823317896 | etot = -16.7805655836125 -435000 ekin = 3.17487375029747 | erot = 2.50022517053558 | epot = -22.1671631710258 | etot = -16.4920642501928 -436000 ekin = 3.02349956092836 | erot = 2.40764251188797 | epot = -22.1302532198703 | etot = -16.699111147054 -437000 ekin = 2.8274843272161 | erot = 2.14344362630262 | epot = -22.1006119384222 | etot = -17.1296839849035 -438000 ekin = 2.76339787793449 | erot = 2.419050805213 | epot = -22.0957010825607 | etot = -16.9132523994132 -439000 ekin = 2.6719888655247 | erot = 2.59491616836517 | epot = -22.1135007428951 | etot = -16.8465957090052 -440000 ekin = 2.51284986257035 | erot = 2.91174228785256 | epot = -22.1427877988881 | etot = -16.7181956484652 -441000 ekin = 2.50780828634487 | erot = 2.72902768068024 | epot = -22.1697146510927 | etot = -16.9328786840676 -442000 ekin = 2.44873015400876 | erot = 2.74922432089642 | epot = -22.2054533182394 | etot = -17.0074988433342 -443000 ekin = 2.38093647463546 | erot = 2.64154199429497 | epot = -22.2472480992723 | etot = -17.2247696303419 -444000 ekin = 2.3836651928718 | erot = 2.67137923733314 | epot = -22.2750222251913 | etot = -17.2199777949864 -445000 ekin = 2.40684373898638 | erot = 2.59567738953056 | epot = -22.2857281482667 | etot = -17.2832070197498 -446000 ekin = 2.36082009501178 | erot = 2.73001014061349 | epot = -22.2789998471501 | etot = -17.1881696115248 -447000 ekin = 2.36605795906985 | erot = 2.58257112673036 | epot = -22.296084006631 | etot = -17.3474549208308 -448000 ekin = 2.32165762068431 | erot = 2.36145535918737 | epot = -22.3211882050734 | etot = -17.6380752252017 -449000 ekin = 2.44203969267613 | erot = 2.62540304636683 | epot = -22.3026387988317 | etot = -17.2351960597888 -450000 ekin = 2.51099258071366 | erot = 2.64840657329928 | epot = -22.267592439271 | etot = -17.1081932852581 -451000 ekin = 2.50793019457285 | erot = 2.96188202684451 | epot = -22.2417686447217 | etot = -16.7719564233044 -452000 ekin = 2.51543909198851 | erot = 2.97645802250506 | epot = -22.1947639118422 | etot = -16.7028667973486 -453000 ekin = 2.48027617072946 | erot = 2.57675545715338 | epot = -22.1151189784502 | etot = -17.0580873505673 -454000 ekin = 2.53738257378355 | erot = 2.32076068281048 | epot = -22.0114335109913 | etot = -17.1532902543973 -455000 ekin = 2.40824460563841 | erot = 2.52466300048405 | epot = -21.9140685033281 | etot = -16.9811608972056 -456000 ekin = 2.48089669783941 | erot = 2.44995767624609 | epot = -21.8323732399429 | etot = -16.9015188658574 -457000 ekin = 2.41775201722807 | erot = 2.40996718790043 | epot = -21.7728619497125 | etot = -16.945142744584 -458000 ekin = 2.47981300263281 | erot = 2.17375208123342 | epot = -21.7127229794164 | etot = -17.0591578955502 -459000 ekin = 2.50098429139872 | erot = 2.13049458828883 | epot = -21.6581010444978 | etot = -17.0266221648102 -460000 ekin = 2.38145892905012 | erot = 1.94162891941082 | epot = -21.6082620378702 | etot = -17.2851741894092 -461000 ekin = 2.33337517008614 | erot = 1.98667402531269 | epot = -21.5649964210082 | etot = -17.2449472256094 -462000 ekin = 2.28227781413454 | erot = 1.78636859811698 | epot = -21.553299713963 | etot = -17.4846533017115 -463000 ekin = 2.31407904587662 | erot = 1.75082487007379 | epot = -21.5758125934728 | etot = -17.5109086775224 -464000 ekin = 2.33760733880305 | erot = 1.97752071149097 | epot = -21.6288036107042 | etot = -17.3136755604102 -465000 ekin = 2.35344133595334 | erot = 1.91505497900085 | epot = -21.7041801943282 | etot = -17.435683879374 -466000 ekin = 2.42854776892495 | erot = 1.75072628953255 | epot = -21.7819960540267 | etot = -17.6027219955692 -467000 ekin = 2.46288459947455 | erot = 1.78816598264993 | epot = -21.8507036001171 | etot = -17.5996530179926 -468000 ekin = 2.43969802378134 | erot = 1.72898452339381 | epot = -21.9015694636234 | etot = -17.7328869164483 -469000 ekin = 2.54376807882612 | erot = 1.93023555616042 | epot = -21.9541799518686 | etot = -17.4801763168821 -470000 ekin = 2.63326744382507 | erot = 1.50609058500135 | epot = -21.9819116677654 | etot = -17.842553638939 -471000 ekin = 2.65978116714121 | erot = 1.70311641290859 | epot = -21.9987201136985 | etot = -17.6358225336487 -472000 ekin = 2.69971587804205 | erot = 1.8009932352239 | epot = -22.0027803172691 | etot = -17.5020712040031 -473000 ekin = 2.72512699348222 | erot = 2.02324872686538 | epot = -22.0030224491709 | etot = -17.2546467288233 -474000 ekin = 2.8407241273446 | erot = 2.21383290314944 | epot = -21.9941738614503 | etot = -16.9396168309562 -475000 ekin = 2.80675445958342 | erot = 1.9022077441246 | epot = -21.9850696381233 | etot = -17.2761074344153 -476000 ekin = 2.72360114140089 | erot = 2.00284464538934 | epot = -21.9892397336858 | etot = -17.2627939468956 -477000 ekin = 2.84056500761867 | erot = 1.91820766145655 | epot = -22.0039582079798 | etot = -17.2451855389045 -478000 ekin = 2.79479136762923 | erot = 2.33508343932096 | epot = -22.00732044934 | etot = -16.8774456423898 -479000 ekin = 2.68385324315871 | erot = 2.16409914969161 | epot = -21.9972664623617 | etot = -17.1493140695114 -480000 ekin = 2.70919062871922 | erot = 2.22019074837664 | epot = -21.9751418417902 | etot = -17.0457604646944 -481000 ekin = 2.63307386350591 | erot = 1.99280181185976 | epot = -21.930382642354 | etot = -17.3045069669883 -482000 ekin = 2.59315858027254 | erot = 2.21899648577216 | epot = -21.8738249715991 | etot = -17.0616699055543 -483000 ekin = 2.47046920651423 | erot = 2.31431109078702 | epot = -21.8097795572383 | etot = -17.0249992599371 -484000 ekin = 2.53508822055565 | erot = 2.47424748553162 | epot = -21.717582839324 | etot = -16.7082471332367 -485000 ekin = 2.50485650643252 | erot = 2.32403296584736 | epot = -21.6361062693713 | etot = -16.8072167970914 -486000 ekin = 2.47721144858919 | erot = 2.13567134935204 | epot = -21.5220454766263 | etot = -16.909162678685 -487000 ekin = 2.37724853790766 | erot = 2.18943698926619 | epot = -21.3143250794171 | etot = -16.7476395522432 -488000 ekin = 2.48818613181585 | erot = 1.88306237250916 | epot = -21.3116084588705 | etot = -16.9403599545454 -489000 ekin = 2.74982657944148 | erot = 1.89187656286088 | epot = -21.4756253900909 | etot = -16.8339222477885 -490000 ekin = 2.8446680042418 | erot = 1.71237058668201 | epot = -21.5263774576819 | etot = -16.9693388667581 -491000 ekin = 2.85737105202647 | erot = 1.55281245576843 | epot = -21.5086751027881 | etot = -17.0984915949932 -492000 ekin = 2.90983632457446 | erot = 1.91497206116271 | epot = -21.5279430025224 | etot = -16.7031346167852 -493000 ekin = 2.89079796015651 | erot = 2.10766085424332 | epot = -21.5508401314459 | etot = -16.5523813170461 -494000 ekin = 2.90235816901155 | erot = 1.94029226116637 | epot = -21.5811303529853 | etot = -16.7384799228073 -495000 ekin = 2.87250026921941 | erot = 1.80307251979098 | epot = -21.6111333229181 | etot = -16.9355605339077 -496000 ekin = 2.90478694209773 | erot = 1.72383486079645 | epot = -21.6487754892898 | etot = -17.0201536863956 -497000 ekin = 2.79889384992189 | erot = 1.75660961047807 | epot = -21.6748215786368 | etot = -17.1193181182368 -498000 ekin = 2.74060640404878 | erot = 1.89888258825447 | epot = -21.7102647961437 | etot = -17.0707758038405 -499000 ekin = 2.80294847124273 | erot = 2.31213970127628 | epot = -21.7484718969958 | etot = -16.6333837244768 -500000 ekin = 2.83514351912433 | erot = 2.19332479656724 | epot = -21.7847476520866 | etot = -16.756279336395 -501000 ekin = 2.85410564762384 | erot = 2.42583012042736 | epot = -21.8174128447107 | etot = -16.5374770766595 -502000 ekin = 2.87283408161156 | erot = 2.50841092791887 | epot = -21.8423925146404 | etot = -16.46114750511 -503000 ekin = 2.94443013466719 | erot = 2.36313582629975 | epot = -21.8519587007927 | etot = -16.5443927398257 -504000 ekin = 2.98534964558865 | erot = 2.41275211835278 | epot = -21.8136647277169 | etot = -16.4155629637754 -505000 ekin = 3.10846911992712 | erot = 2.13573452517232 | epot = -21.7537837267859 | etot = -16.5095800816865 -506000 ekin = 3.09786641402203 | erot = 2.01700572313853 | epot = -21.704980465629 | etot = -16.5901083284684 -507000 ekin = 3.16348616847776 | erot = 1.94949346287655 | epot = -21.6672353473606 | etot = -16.5542557160063 -508000 ekin = 3.07061633092943 | erot = 2.13446212006009 | epot = -21.6350846399512 | etot = -16.4300061889617 -509000 ekin = 3.1290746647534 | erot = 2.35272620108262 | epot = -21.6205801924064 | etot = -16.1387793265704 -510000 ekin = 3.02451400178539 | erot = 2.25242701385277 | epot = -21.6251089836147 | etot = -16.3481679679765 -511000 ekin = 2.94040580941463 | erot = 2.31948438934906 | epot = -21.6216965431392 | etot = -16.3618063443755 -512000 ekin = 2.94467119608427 | erot = 2.24306810877191 | epot = -21.5962799069271 | etot = -16.408540602071 -513000 ekin = 2.877517425685 | erot = 2.415414442973 | epot = -21.5773819493338 | etot = -16.2844500806758 -514000 ekin = 2.87859810419301 | erot = 2.53612885093571 | epot = -21.5886910612355 | etot = -16.1739641061068 -515000 ekin = 2.65152076844877 | erot = 2.70952186913731 | epot = -21.612623025511 | etot = -16.2515803879249 -516000 ekin = 2.77253963034854 | erot = 3.11116882765854 | epot = -21.6107374310222 | etot = -15.7270289730151 -517000 ekin = 2.76572402179399 | erot = 2.98569828005596 | epot = -21.5945323230581 | etot = -15.8431100212081 -518000 ekin = 2.7008206456695 | erot = 2.94453329815972 | epot = -21.5767297354897 | etot = -15.9313757916605 -519000 ekin = 2.54482845466835 | erot = 2.66065301480809 | epot = -21.550873009667 | etot = -16.3453915401906 -520000 ekin = 2.45944414333513 | erot = 2.60592783176574 | epot = -21.5130137565189 | etot = -16.4476417814181 -521000 ekin = 2.40695980994532 | erot = 2.63220992355656 | epot = -21.4828393267846 | etot = -16.4436695932827 -522000 ekin = 2.52378769907082 | erot = 2.5606649708313 | epot = -21.4628073945547 | etot = -16.3783547246526 -523000 ekin = 2.47704387064711 | erot = 2.27847516566856 | epot = -21.3936943383584 | etot = -16.6381753020428 -524000 ekin = 2.45003418957973 | erot = 2.35140218073637 | epot = -21.2843636599242 | etot = -16.4829272896081 -525000 ekin = 2.36142621667685 | erot = 2.56683372922449 | epot = -21.3738770732935 | etot = -16.4456171273921 -526000 ekin = 2.41274041153279 | erot = 2.62143474643711 | epot = -21.5186087776708 | etot = -16.4844336197009 -527000 ekin = 2.51690607418079 | erot = 2.50693092291703 | epot = -21.5243590814524 | etot = -16.5005220843546 -528000 ekin = 2.54770211426177 | erot = 2.53999552090169 | epot = -21.5164154929441 | etot = -16.4287178577806 -529000 ekin = 2.47536749790361 | erot = 2.56875642748168 | epot = -21.5117161086094 | etot = -16.4675921832241 -530000 ekin = 2.58038897425517 | erot = 3.01233807443761 | epot = -21.51906057773 | etot = -15.9263335290372 -531000 ekin = 2.65054894724649 | erot = 2.80448099540854 | epot = -21.5589351824931 | etot = -16.1039052398381 -532000 ekin = 2.66965242144118 | erot = 2.74119638755984 | epot = -21.6464179501738 | etot = -16.2355691411728 -533000 ekin = 2.72770786142518 | erot = 2.77844536173269 | epot = -21.7626441239341 | etot = -16.2564909007762 -534000 ekin = 2.64182362572789 | erot = 3.16792870118696 | epot = -21.9259934897415 | etot = -16.1162411628266 -535000 ekin = 2.66520124770253 | erot = 3.2879171249754 | epot = -22.0889762146499 | etot = -16.1358578419719 -536000 ekin = 2.62601876922159 | erot = 3.30261897461137 | epot = -22.2457512656683 | etot = -16.3171135218353 -537000 ekin = 2.69839345537236 | erot = 3.42813769244414 | epot = -22.4210021127572 | etot = -16.2944709649407 -538000 ekin = 2.66760385526424 | erot = 3.62303132590558 | epot = -22.591355025516 | etot = -16.3007198443462 -539000 ekin = 2.67321194398888 | erot = 3.60397197005577 | epot = -22.7197786083617 | etot = -16.442594694317 -540000 ekin = 2.61847962179691 | erot = 3.5981459306722 | epot = -22.8058567264861 | etot = -16.589231174017 -541000 ekin = 2.6718641974379 | erot = 3.32667413558402 | epot = -22.8335693145219 | etot = -16.8350309815 -542000 ekin = 2.70747491915389 | erot = 3.0111564589795 | epot = -22.8115452943438 | etot = -17.0929139162104 -543000 ekin = 2.54644874759658 | erot = 2.82723025266225 | epot = -22.7664572430856 | etot = -17.3927782428268 -544000 ekin = 2.5463938428872 | erot = 2.51742249196045 | epot = -22.7350779454406 | etot = -17.6712616105929 -545000 ekin = 2.56168013748318 | erot = 2.65611713884647 | epot = -22.7023384195507 | etot = -17.484541143221 -546000 ekin = 2.5816053409223 | erot = 2.38787600628575 | epot = -22.6704542470139 | etot = -17.7009728998058 -547000 ekin = 2.61211462803719 | erot = 2.34648461296472 | epot = -22.6334663710585 | etot = -17.6748671300566 -548000 ekin = 2.61848748301373 | erot = 2.55163104207081 | epot = -22.609768517203 | etot = -17.4396499921185 -549000 ekin = 2.67184047302148 | erot = 2.60680496690166 | epot = -22.6113862974879 | etot = -17.3327408575648 -550000 ekin = 2.72277931598591 | erot = 2.65040849078669 | epot = -22.6203600824213 | etot = -17.2471722756487 -551000 ekin = 2.74305353489299 | erot = 2.80075659039574 | epot = -22.6177232617524 | etot = -17.0739131364637 -552000 ekin = 2.81751360269261 | erot = 2.75287635518208 | epot = -22.6023118767284 | etot = -17.0319219188537 -553000 ekin = 2.79227730256403 | erot = 2.56192872740986 | epot = -22.5537272638583 | etot = -17.1995212338845 -554000 ekin = 2.73534601404039 | erot = 2.65053323061235 | epot = -22.4791077870362 | etot = -17.0932285423835 -555000 ekin = 2.63887069330074 | erot = 2.60099744506886 | epot = -22.3836014529606 | etot = -17.143733314591 -556000 ekin = 2.58795922731594 | erot = 2.83939231122779 | epot = -22.324279926465 | etot = -16.8969283879212 -557000 ekin = 2.47840947592902 | erot = 2.83134609082774 | epot = -22.3241590735317 | etot = -17.0144035067749 -558000 ekin = 2.40468725505321 | erot = 2.93322561456053 | epot = -22.2772491751351 | etot = -16.9393363055213 -559000 ekin = 2.41820823948273 | erot = 2.86089187346752 | epot = -22.2036329910433 | etot = -16.9245328780931 -560000 ekin = 2.39662020313128 | erot = 2.57730341735948 | epot = -22.1373821619364 | etot = -17.1634585414457 -561000 ekin = 2.41616568173907 | erot = 2.43139941603541 | epot = -22.060651028694 | etot = -17.2130859309196 -562000 ekin = 2.32711122790885 | erot = 2.68540878415341 | epot = -22.0362236088757 | etot = -17.0237035968134 -563000 ekin = 2.40105509630151 | erot = 2.62423602861762 | epot = -22.0398518714974 | etot = -17.0145607465783 -564000 ekin = 2.5062266422146 | erot = 2.4928348217893 | epot = -22.0598046960841 | etot = -17.0607432320802 -565000 ekin = 2.51273313956208 | erot = 2.47207361692511 | epot = -22.0899214253432 | etot = -17.1051146688561 -566000 ekin = 2.45555537786091 | erot = 2.30821557149137 | epot = -22.1147098672023 | etot = -17.35093891785 -567000 ekin = 2.48507699437162 | erot = 2.03226369059631 | epot = -22.1483465792775 | etot = -17.6310058943096 -568000 ekin = 2.44600711349195 | erot = 2.1681878009117 | epot = -22.171561314542 | etot = -17.5573664001384 -569000 ekin = 2.41496567776287 | erot = 2.08307839560009 | epot = -22.1893617136992 | etot = -17.6913176403362 -570000 ekin = 2.31032400356049 | erot = 1.94654984481964 | epot = -22.1972672153826 | etot = -17.9403933670025 -571000 ekin = 2.3417438804697 | erot = 1.90380560996236 | epot = -22.2024778466837 | etot = -17.9569283562516 -572000 ekin = 2.31612242672595 | erot = 2.32477215739624 | epot = -22.1972617700701 | etot = -17.556367185948 -573000 ekin = 2.33747992651649 | erot = 2.05308190482666 | epot = -22.1742687527255 | etot = -17.7837069213823 -574000 ekin = 2.25296248727416 | erot = 2.15192604028201 | epot = -22.1539412991559 | etot = -17.7490527715998 -575000 ekin = 2.39237411767914 | erot = 2.08020391847459 | epot = -22.1262092875428 | etot = -17.6536312513891 -576000 ekin = 2.399208847935 | erot = 2.19930885642811 | epot = -22.0840646582175 | etot = -17.4855469538544 -577000 ekin = 2.32808205752418 | erot = 1.94197958979002 | epot = -22.0344723562019 | etot = -17.7644107088876 -578000 ekin = 2.1746858706361 | erot = 1.9246103716916 | epot = -21.974741428263 | etot = -17.8754451859353 -579000 ekin = 2.11583896079266 | erot = 1.92936420584519 | epot = -21.9045494517261 | etot = -17.8593462850882 -580000 ekin = 1.98384148142164 | erot = 1.90081955947752 | epot = -21.8148954466256 | etot = -17.9302344057265 -581000 ekin = 1.94016412525874 | erot = 1.93233669573757 | epot = -21.7165439683888 | etot = -17.8440431473925 -582000 ekin = 1.8610251889665 | erot = 1.79341078671836 | epot = -21.6380365856683 | etot = -17.9836006099834 -583000 ekin = 1.68386990762823 | erot = 1.83679042288102 | epot = -21.5992064668106 | etot = -18.0785461363014 -584000 ekin = 1.67261412505281 | erot = 1.65634612158735 | epot = -21.5952053447537 | etot = -18.2662450981136 -585000 ekin = 1.73992925735474 | erot = 1.83366430721889 | epot = -21.6327697441752 | etot = -18.0591761796016 -586000 ekin = 1.74661255409199 | erot = 1.71213201580435 | epot = -21.7000609183774 | etot = -18.2413163484811 -587000 ekin = 1.71710189718426 | erot = 1.97098182988229 | epot = -21.7683574543182 | etot = -18.0802737272516 -588000 ekin = 1.86544089524901 | erot = 1.85386980490137 | epot = -21.8425683848031 | etot = -18.1232576846527 -589000 ekin = 1.85071717322245 | erot = 1.97068115142838 | epot = -21.9095983694565 | etot = -18.0882000448057 -590000 ekin = 1.83374905828411 | erot = 1.81484654719552 | epot = -21.9582171568539 | etot = -18.3096215513743 -591000 ekin = 1.81469352641367 | erot = 1.99878899767044 | epot = -21.9200659973671 | etot = -18.106583473283 -592000 ekin = 1.71363100839097 | erot = 2.12573581395021 | epot = -21.9592135376051 | etot = -18.1198467152639 -593000 ekin = 1.72614766500717 | erot = 2.17937588775971 | epot = -22.0664089208097 | etot = -18.1608853680429 -594000 ekin = 1.75427689765194 | erot = 1.98826780368116 | epot = -22.0976975488655 | etot = -18.3551528475324 -595000 ekin = 1.85406358952679 | erot = 2.20206199980458 | epot = -22.1226176690415 | etot = -18.0664920797102 -596000 ekin = 1.84670119316264 | erot = 2.33908153853203 | epot = -22.1559831226416 | etot = -17.9702003909469 -597000 ekin = 1.81732138775584 | erot = 2.40005576098716 | epot = -22.1594075236561 | etot = -17.9420303749132 -598000 ekin = 1.8677543970775 | erot = 2.55301581891932 | epot = -22.1595993961162 | etot = -17.7388291801194 -599000 ekin = 1.91773913278424 | erot = 2.67167362163678 | epot = -22.1710888467289 | etot = -17.5816760923079 -600000 ekin = 1.98736665658494 | erot = 2.80063355631912 | epot = -22.2102053911852 | etot = -17.4222051782811 -601000 ekin = 1.90702337725175 | erot = 2.8344671118145 | epot = -22.2420925338082 | etot = -17.500602044742 -602000 ekin = 1.94976963379167 | erot = 2.90342633891973 | epot = -22.2734691619211 | etot = -17.4202731892097 -603000 ekin = 1.96641425291164 | erot = 2.66529933433923 | epot = -22.2825393460705 | etot = -17.6508257588197 -604000 ekin = 1.91858852447213 | erot = 2.76080776072352 | epot = -22.2678256349417 | etot = -17.588429349746 -605000 ekin = 1.97193019282287 | erot = 2.5472794862884 | epot = -22.2112173532513 | etot = -17.6920076741401 -606000 ekin = 2.03197193648821 | erot = 2.19902614177724 | epot = -22.1164544376306 | etot = -17.8854563593652 -607000 ekin = 2.0510528043558 | erot = 2.16675765880382 | epot = -21.977405385855 | etot = -17.7595949226954 -608000 ekin = 2.17944443921817 | erot = 2.13131743184037 | epot = -21.81532099036 | etot = -17.5045591193014 -609000 ekin = 2.16101479212554 | erot = 2.06129841109631 | epot = -21.6707988831018 | etot = -17.44848567988 -610000 ekin = 2.19385705617071 | erot = 2.02131249667483 | epot = -21.5477012163134 | etot = -17.3325316634679 -611000 ekin = 2.19942394637387 | erot = 2.20280786133682 | epot = -21.4384008683102 | etot = -17.0361690605995 -612000 ekin = 2.23163662761403 | erot = 2.17565235563963 | epot = -21.349788353045 | etot = -16.9424993697913 -613000 ekin = 2.34183365033965 | erot = 1.89422502415553 | epot = -21.3091832789097 | etot = -17.0731246044145 -614000 ekin = 2.41074949980695 | erot = 1.66581051947232 | epot = -21.3121685225909 | etot = -17.2356085033117 -615000 ekin = 2.45538962657556 | erot = 1.67175711569392 | epot = -21.3797539205093 | etot = -17.2526071782398 -616000 ekin = 2.54665272757605 | erot = 1.63332091588076 | epot = -21.4744887763228 | etot = -17.294515132866 -617000 ekin = 2.69386292022006 | erot = 1.67560230924526 | epot = -21.5884179595115 | etot = -17.2189527300462 -618000 ekin = 2.87435666564076 | erot = 1.80165459029546 | epot = -21.7048752429654 | etot = -17.0288639870292 -619000 ekin = 3.06032720665858 | erot = 1.65093186491283 | epot = -21.8125402008936 | etot = -17.1012811293222 -620000 ekin = 3.05516944552948 | erot = 1.78567665314232 | epot = -21.9362157730247 | etot = -17.0953696743529 -621000 ekin = 3.19482877288248 | erot = 1.85444292415898 | epot = -22.0590109842176 | etot = -17.0097392871761 -622000 ekin = 3.19833270893106 | erot = 1.64252462622214 | epot = -22.1304552689738 | etot = -17.2895979338206 -623000 ekin = 3.29734758995184 | erot = 1.6970718936091 | epot = -22.1701112545649 | etot = -17.175691771004 -624000 ekin = 3.37713404636418 | erot = 1.61937249977472 | epot = -22.190132986186 | etot = -17.1936264400471 -625000 ekin = 3.38380934462731 | erot = 1.54917206280412 | epot = -22.18904166071 | etot = -17.2560602532785 -626000 ekin = 3.32638739446822 | erot = 1.5672214829387 | epot = -22.1785220524127 | etot = -17.2849131750058 -627000 ekin = 3.31569249720242 | erot = 1.71066467192316 | epot = -22.142364077785 | etot = -17.1160069086594 -628000 ekin = 3.16697776454389 | erot = 1.85806977204807 | epot = -22.0112520476558 | etot = -16.9862045110638 -629000 ekin = 2.99094278818954 | erot = 1.86346544111366 | epot = -21.9346731409829 | etot = -17.0802649116797 -630000 ekin = 2.90556071918765 | erot = 2.06931303104692 | epot = -21.93509085158 | etot = -16.9602171013454 -631000 ekin = 2.79969582944963 | erot = 2.05621242567385 | epot = -21.848604572972 | etot = -16.9926963178485 -632000 ekin = 2.67147709831704 | erot = 2.03262561422009 | epot = -21.7549691244764 | etot = -17.0508664119392 -633000 ekin = 2.65536759972781 | erot = 2.03400136625199 | epot = -21.6799332000585 | etot = -16.9905642340787 -634000 ekin = 2.60619207671931 | erot = 2.13546718822713 | epot = -21.6154557479591 | etot = -16.8737964830127 -635000 ekin = 2.50701558019089 | erot = 1.74758901075321 | epot = -21.5543249117148 | etot = -17.2997203207707 -636000 ekin = 2.39745600323038 | erot = 1.85247540266676 | epot = -21.525559430038 | etot = -17.2756280241409 -637000 ekin = 2.41790008828878 | erot = 1.89421557823705 | epot = -21.5250233017194 | etot = -17.2129076351935 -638000 ekin = 2.47578971863419 | erot = 2.36571418053423 | epot = -21.5337545659553 | etot = -16.6922506667868 -639000 ekin = 2.35660046082987 | erot = 2.51353605838012 | epot = -21.5410972420903 | etot = -16.6709607228803 -640000 ekin = 2.45486082803939 | erot = 2.67800600845168 | epot = -21.5528145208901 | etot = -16.419947684399 -641000 ekin = 2.56928913237021 | erot = 2.42818013926169 | epot = -21.5744429168227 | etot = -16.5769736451908 -642000 ekin = 2.56519022418627 | erot = 2.50858602525848 | epot = -21.5829619563601 | etot = -16.5091857069153 -643000 ekin = 2.61438251477725 | erot = 2.14546404075467 | epot = -21.6040625493721 | etot = -16.8442159938402 -644000 ekin = 2.62186764966518 | erot = 2.14191076230766 | epot = -21.6253516870774 | etot = -16.8615732751046 -645000 ekin = 2.73445879103536 | erot = 2.35765807621281 | epot = -21.6468161631206 | etot = -16.5546992958724 -646000 ekin = 2.74844139127275 | erot = 2.17611353686106 | epot = -21.6394622686008 | etot = -16.7149073404669 -647000 ekin = 2.81459539064456 | erot = 2.08632073152474 | epot = -21.6308966078165 | etot = -16.7299804856472 -648000 ekin = 2.85700926870993 | erot = 1.929464333082 | epot = -21.6388376034704 | etot = -16.8523640016785 -649000 ekin = 2.83442652810361 | erot = 1.81043301746374 | epot = -21.6816093302455 | etot = -17.0367497846781 -650000 ekin = 2.82385635198136 | erot = 1.98060013201534 | epot = -21.7368430060001 | etot = -16.9323865220034 -651000 ekin = 2.92885602891552 | erot = 2.12442721936496 | epot = -21.8172866774946 | etot = -16.7640034292141 -652000 ekin = 2.93013307398413 | erot = 2.27578127027685 | epot = -21.8890408405115 | etot = -16.6831264962505 -653000 ekin = 3.04736898125529 | erot = 2.16776847613793 | epot = -21.9486345968613 | etot = -16.7334971394681 -654000 ekin = 2.9579573037244 | erot = 2.21678381714574 | epot = -22.0001869032537 | etot = -16.8254457823835 -655000 ekin = 3.02540562074026 | erot = 2.13692279145231 | epot = -22.0213788097191 | etot = -16.8590503975265 -656000 ekin = 2.93581362686808 | erot = 2.18988187130916 | epot = -22.0109757197437 | etot = -16.8852802215665 -657000 ekin = 2.76805340651528 | erot = 2.32463835532626 | epot = -21.9890816986899 | etot = -16.8963899368483 -658000 ekin = 2.72010078264234 | erot = 2.42170769009701 | epot = -21.9346454326191 | etot = -16.7928369598798 -659000 ekin = 2.56993867397745 | erot = 2.56748186419765 | epot = -21.8575737943239 | etot = -16.7201532561488 -660000 ekin = 2.47973868672844 | erot = 2.40259679627682 | epot = -21.7795672371149 | etot = -16.8972317541096 -661000 ekin = 2.4537354259568 | erot = 2.39904349056703 | epot = -21.7176497643057 | etot = -16.8648708477819 -662000 ekin = 2.31664057269244 | erot = 2.35054704143559 | epot = -21.6537121043311 | etot = -16.9865244902031 -663000 ekin = 2.2406453295341 | erot = 2.17910127912748 | epot = -21.6391536375417 | etot = -17.2194070288801 -664000 ekin = 2.20916362864349 | erot = 2.06262569311488 | epot = -21.6851863902027 | etot = -17.4133970684443 -665000 ekin = 2.13954972476586 | erot = 2.25756057575123 | epot = -21.7455075936907 | etot = -17.3483972931736 -666000 ekin = 2.08532103984047 | erot = 2.53235015645644 | epot = -21.8306488165158 | etot = -17.2129776202189 -667000 ekin = 2.07434468635446 | erot = 2.5831602433618 | epot = -21.9388099470219 | etot = -17.2813050173056 -668000 ekin = 2.14972707351062 | erot = 2.44036539013545 | epot = -22.0333424314715 | etot = -17.4432499678254 -669000 ekin = 2.14867112158583 | erot = 2.43281409131061 | epot = -22.1304448026368 | etot = -17.5489595897403 -670000 ekin = 2.23890403189165 | erot = 2.58648249214524 | epot = -22.2056814205456 | etot = -17.3802948965087 -671000 ekin = 2.31625622499946 | erot = 2.69333851171567 | epot = -22.279662062181 | etot = -17.2700673254659 -672000 ekin = 2.44586153940214 | erot = 2.56646280616739 | epot = -22.358695214431 | etot = -17.3463708688615 -673000 ekin = 2.54481735055823 | erot = 2.75556593856414 | epot = -22.4593396425686 | etot = -17.1589563534462 -674000 ekin = 2.71391625159941 | erot = 2.6554308425355 | epot = -22.5584890476563 | etot = -17.1891419535214 -675000 ekin = 2.90764129270492 | erot = 2.23819775094513 | epot = -22.6180177016502 | etot = -17.4721786580001 -676000 ekin = 2.92265152567894 | erot = 2.01907422039395 | epot = -22.6419153633299 | etot = -17.700189617257 -677000 ekin = 2.98331588051219 | erot = 1.94365767388436 | epot = -22.6354363273705 | etot = -17.7084627729739 -678000 ekin = 3.09770353325547 | erot = 1.78984747588624 | epot = -22.5937189533551 | etot = -17.7061679442134 -679000 ekin = 3.25432444248411 | erot = 1.88443631033161 | epot = -22.53178413596 | etot = -17.3930233831443 -680000 ekin = 3.22961887078865 | erot = 1.69909805719967 | epot = -22.463070825024 | etot = -17.5343538970357 -681000 ekin = 3.29793543712228 | erot = 1.73422658308543 | epot = -22.3946434176705 | etot = -17.3624813974628 -682000 ekin = 3.24199079106594 | erot = 1.5969219856144 | epot = -22.3029193266293 | etot = -17.464006549949 -683000 ekin = 3.25371946999921 | erot = 1.72202050023417 | epot = -22.199148999364 | etot = -17.2234090291306 -684000 ekin = 3.19052733109178 | erot = 1.66622681172431 | epot = -22.0655070121616 | etot = -17.2087528693455 -685000 ekin = 3.12351779825689 | erot = 1.51735754830883 | epot = -21.914824245787 | etot = -17.2739488992213 -686000 ekin = 3.07326489888731 | erot = 1.46555591350498 | epot = -21.7573475582043 | etot = -17.218526745812 -687000 ekin = 3.0692678194322 | erot = 1.15712044634882 | epot = -21.5962819403328 | etot = -17.3698936745518 -688000 ekin = 2.87390652866056 | erot = 1.4033120365228 | epot = -21.4336822001954 | etot = -17.156463635012 -689000 ekin = 2.69554492827624 | erot = 1.45829074533076 | epot = -21.2672855389621 | etot = -17.1134498653551 -690000 ekin = 2.61061423011971 | erot = 1.36248966419064 | epot = -21.1045284460301 | etot = -17.1314245517197 -691000 ekin = 2.5384895571243 | erot = 1.51295281726462 | epot = -20.9662406736519 | etot = -16.914798299263 -692000 ekin = 2.46230747660143 | erot = 1.79517490024282 | epot = -20.8267179895335 | etot = -16.5692356126893 -693000 ekin = 2.33092902932419 | erot = 1.956932557055 | epot = -20.7214634762705 | etot = -16.4336018898913 -694000 ekin = 2.20499278049238 | erot = 2.26852927145225 | epot = -20.6632308881527 | etot = -16.189708836208 -695000 ekin = 2.03014457111504 | erot = 2.21386820279686 | epot = -20.6164786812691 | etot = -16.3724659073572 -696000 ekin = 1.90099616141403 | erot = 2.5103465105869 | epot = -20.5979238575923 | etot = -16.1865811855913 -697000 ekin = 1.85444991610566 | erot = 2.53777912909066 | epot = -20.6115349149648 | etot = -16.2193058697685 -698000 ekin = 1.7451785995618 | erot = 2.7223822414534 | epot = -20.6303436251994 | etot = -16.1627827841842 -699000 ekin = 1.7516813089068 | erot = 2.85503588879926 | epot = -20.6320585257903 | etot = -16.0253413280842 -700000 ekin = 1.64369199910929 | erot = 2.34560591480479 | epot = -20.647513946931 | etot = -16.6582160330169 -701000 ekin = 1.68132533789918 | erot = 2.43909304651561 | epot = -20.685910928294 | etot = -16.5654925438792 -702000 ekin = 1.70386840970035 | erot = 2.35102704448869 | epot = -20.7376959872533 | etot = -16.6828005330643 -703000 ekin = 1.80305935509192 | erot = 2.30693909538442 | epot = -20.8251011762137 | etot = -16.7151027257374 -704000 ekin = 1.85427679013225 | erot = 2.26509125077371 | epot = -20.9059280513971 | etot = -16.7865600104912 -705000 ekin = 1.88335846983262 | erot = 2.19214658824562 | epot = -20.9954367870654 | etot = -16.9199317289872 -706000 ekin = 1.876702340526 | erot = 2.28719516538887 | epot = -21.0193227576574 | etot = -16.8554252517425 -707000 ekin = 1.93293497142214 | erot = 2.38330202769163 | epot = -21.0638890738323 | etot = -16.7476520747185 -708000 ekin = 2.09065153727884 | erot = 2.35104864418889 | epot = -21.2227908262374 | etot = -16.7810906447697 -709000 ekin = 2.20425730862929 | erot = 2.60124565008879 | epot = -21.3749368892937 | etot = -16.5694339305757 -710000 ekin = 2.15847586521867 | erot = 2.78837422905336 | epot = -21.45375589322 | etot = -16.506905798948 -711000 ekin = 2.1473856761086 | erot = 2.55565446850249 | epot = -21.4922752305126 | etot = -16.7892350859015 -712000 ekin = 2.21832534546642 | erot = 2.2837823329791 | epot = -21.5070148685007 | etot = -17.0049071900552 -713000 ekin = 2.23341186047371 | erot = 2.34500428198362 | epot = -21.5008699398634 | etot = -16.9224537974061 -714000 ekin = 2.33230836040244 | erot = 2.19479871425188 | epot = -21.4839019806539 | etot = -16.9567949059995 -715000 ekin = 2.33030820574014 | erot = 2.17965051754596 | epot = -21.4553142973931 | etot = -16.945355574107 -716000 ekin = 2.36748822470048 | erot = 2.35438142347193 | epot = -21.4335845554585 | etot = -16.7117149072861 -717000 ekin = 2.42589072361015 | erot = 2.26035712234886 | epot = -21.4376774007483 | etot = -16.7514295547893 -718000 ekin = 2.38255620505849 | erot = 2.62805972075967 | epot = -21.4709814331184 | etot = -16.4603655073003 -719000 ekin = 2.4316038044644 | erot = 2.63972746655449 | epot = -21.4971766168892 | etot = -16.4258453458703 -720000 ekin = 2.33769336712433 | erot = 2.55371461534658 | epot = -21.5394919555774 | etot = -16.6480839731065 -721000 ekin = 2.28846155322463 | erot = 2.63462733239722 | epot = -21.6184618151068 | etot = -16.695372929485 -722000 ekin = 2.2625799464171 | erot = 2.84783969674578 | epot = -21.6945502707626 | etot = -16.5841306275997 -723000 ekin = 2.23304720962205 | erot = 3.06611659822373 | epot = -21.7528202353841 | etot = -16.4536564275383 -724000 ekin = 2.12684507278506 | erot = 2.78432312637157 | epot = -21.7751025516938 | etot = -16.8639343525372 -725000 ekin = 2.06612304119179 | erot = 2.6657008722112 | epot = -21.7772349484646 | etot = -17.0454110350617 -726000 ekin = 2.06015720392149 | erot = 2.53002799423227 | epot = -21.7484309875606 | etot = -17.1582457894068 -727000 ekin = 1.94617710091939 | erot = 2.58809722642033 | epot = -21.698865942308 | etot = -17.1645916149683 -728000 ekin = 1.79988680762503 | erot = 2.59791601958482 | epot = -21.6244191329722 | etot = -17.2266163057624 -729000 ekin = 1.88959231946007 | erot = 2.45182775661247 | epot = -21.5334662312982 | etot = -17.1920461552256 -730000 ekin = 1.96867512295179 | erot = 2.41054767101764 | epot = -21.4871507299598 | etot = -17.1079279359904 -731000 ekin = 2.04007066021515 | erot = 2.10968471949812 | epot = -21.5107250767863 | etot = -17.360969697073 -732000 ekin = 2.15156634650352 | erot = 2.21445806294108 | epot = -21.565694539444 | etot = -17.1996701299994 -733000 ekin = 2.35654560078856 | erot = 2.0926020619831 | epot = -21.6365297457638 | etot = -17.1873820829921 -734000 ekin = 2.53299152923216 | erot = 2.37468932984106 | epot = -21.7439901596571 | etot = -16.8363093005839 -735000 ekin = 2.68562697475253 | erot = 2.64165595377503 | epot = -21.8172386752045 | etot = -16.4899557466769 -736000 ekin = 2.79874366040361 | erot = 2.35556726484813 | epot = -21.8745419467326 | etot = -16.7202310214809 -737000 ekin = 2.90595989296463 | erot = 2.41144452276433 | epot = -21.9257424852809 | etot = -16.6083380695519 -738000 ekin = 3.16854231512105 | erot = 2.16995374764071 | epot = -21.9707229821506 | etot = -16.6322269193889 -739000 ekin = 3.23623963268824 | erot = 2.03973592993996 | epot = -22.0157112429449 | etot = -16.7397356803167 -740000 ekin = 3.39353868555119 | erot = 2.32580669983873 | epot = -22.0571350158395 | etot = -16.3377896304496 -741000 ekin = 3.45553760108211 | erot = 2.27352146352834 | epot = -22.0707608655482 | etot = -16.3417018009378 -742000 ekin = 3.39019064344775 | erot = 2.25908088551195 | epot = -22.0670611146352 | etot = -16.4177895856755 -743000 ekin = 3.24233276383884 | erot = 2.18392506449989 | epot = -22.0666014745795 | etot = -16.6403436462408 -744000 ekin = 3.20002114728711 | erot = 2.23309952366348 | epot = -22.028539163169 | etot = -16.5954184922184 -745000 ekin = 3.14151943265607 | erot = 2.14368723244716 | epot = -21.9643868056962 | etot = -16.679180140593 -746000 ekin = 3.13633701521663 | erot = 2.23603593988693 | epot = -21.882872862873 | etot = -16.5104999077695 -747000 ekin = 3.07456220778637 | erot = 2.26587079383327 | epot = -21.7933333887767 | etot = -16.452900387157 -748000 ekin = 2.89245092613184 | erot = 2.40124088279734 | epot = -21.7426214163823 | etot = -16.4489296074532 -749000 ekin = 2.88984722840687 | erot = 2.04545464704715 | epot = -21.7486405812119 | etot = -16.8133387057579 -750000 ekin = 2.90690239667419 | erot = 2.16308193639859 | epot = -21.8037851942402 | etot = -16.7338008611674 -751000 ekin = 2.91748713435882 | erot = 2.28652646733658 | epot = -21.8965044368825 | etot = -16.6924908351871 -752000 ekin = 2.97329531437785 | erot = 2.21452942544206 | epot = -22.0108702587414 | etot = -16.8230455189215 -753000 ekin = 3.12120975435271 | erot = 2.07420726206866 | epot = -22.1751207133467 | etot = -16.9797036969253 -754000 ekin = 3.10943310281728 | erot = 2.24992106750504 | epot = -22.3612161837239 | etot = -17.0018620134016 -755000 ekin = 3.18094546468949 | erot = 2.11033610484495 | epot = -22.5317563093684 | etot = -17.2404747398339 -756000 ekin = 3.21064051440325 | erot = 2.2847912638149 | epot = -22.6718534245683 | etot = -17.1764216463502 -757000 ekin = 3.22246886754025 | erot = 2.44968123087621 | epot = -22.7886247543782 | etot = -17.1164746559617 -758000 ekin = 3.20698410892119 | erot = 2.50948468912354 | epot = -22.8454442004646 | etot = -17.1289754024199 -759000 ekin = 3.21234700687647 | erot = 3.12016624161199 | epot = -22.8201205205761 | etot = -16.4876072720877 -760000 ekin = 3.27823245967428 | erot = 2.84290665242051 | epot = -22.6783954091999 | etot = -16.5572562971051 -761000 ekin = 3.12453460408395 | erot = 2.62184906422512 | epot = -22.438200107225 | etot = -16.6918164389159 -762000 ekin = 3.00311895367918 | erot = 2.41644056781989 | epot = -22.1533696227388 | etot = -16.7338101012398 -763000 ekin = 2.78638584214101 | erot = 2.32781672447598 | epot = -21.8612278496142 | etot = -16.7470252829972 -764000 ekin = 2.62767890060543 | erot = 2.17189942716303 | epot = -21.5731775254861 | etot = -16.7735991977176 -765000 ekin = 2.51344272364432 | erot = 2.10908907015976 | epot = -21.3425441704342 | etot = -16.7200123766302 -766000 ekin = 2.44393199306567 | erot = 2.31186162861124 | epot = -21.1564464031704 | etot = -16.4006527814935 -767000 ekin = 2.31911160678287 | erot = 2.18314082130554 | epot = -20.9627169920091 | etot = -16.4604645639207 -768000 ekin = 2.13701069287306 | erot = 2.40318509200551 | epot = -20.8058909702391 | etot = -16.2656951853605 -769000 ekin = 2.10500025579103 | erot = 2.63894895440955 | epot = -20.8353130509833 | etot = -16.0913638407827 -770000 ekin = 2.12136471147998 | erot = 2.6554458784582 | epot = -20.9284031482484 | etot = -16.1515925583102 -771000 ekin = 2.13543144639345 | erot = 2.60537105377452 | epot = -21.0328875238191 | etot = -16.2920850236511 -772000 ekin = 2.24162906957588 | erot = 2.74417889300961 | epot = -21.1929928408463 | etot = -16.2071848782608 -773000 ekin = 2.33155635751896 | erot = 2.65445073231026 | epot = -21.3698964155417 | etot = -16.3838893257124 -774000 ekin = 2.48263962766567 | erot = 2.82209125579263 | epot = -21.5457273132847 | etot = -16.2409964298264 -775000 ekin = 2.54636977687724 | erot = 2.88053109255988 | epot = -21.7219905564985 | etot = -16.2950896870614 -776000 ekin = 2.69100265054475 | erot = 2.71778929652662 | epot = -21.8782095094697 | etot = -16.4694175623983 -777000 ekin = 2.78238726099168 | erot = 2.72823230982731 | epot = -21.9911064717638 | etot = -16.4804869009448 -778000 ekin = 2.78617187411511 | erot = 2.82815790459219 | epot = -22.0683537375448 | etot = -16.4540239588375 -779000 ekin = 2.84892593422022 | erot = 3.03438887674479 | epot = -22.1034747648793 | etot = -16.2201599539143 -780000 ekin = 2.88441601842049 | erot = 3.24511918269903 | epot = -22.0479241425091 | etot = -15.9183889413896 -781000 ekin = 2.79226579266676 | erot = 3.21548459938523 | epot = -21.8915863093246 | etot = -15.8838359172726 -782000 ekin = 2.68974173738614 | erot = 3.17926967087772 | epot = -21.6363560975167 | etot = -15.7673446892529 -783000 ekin = 2.79024932261644 | erot = 2.97774512627436 | epot = -21.2767108150424 | etot = -15.5087163661516 -784000 ekin = 2.86449981530865 | erot = 2.69172267166055 | epot = -21.0080507325922 | etot = -15.451828245623 -785000 ekin = 2.8095279662806 | erot = 2.46781875930815 | epot = -20.8778745868435 | etot = -15.6005278612548 -786000 ekin = 2.68208018816425 | erot = 2.29793991145912 | epot = -20.7982787985676 | etot = -15.8182586989442 -787000 ekin = 2.56813961256695 | erot = 2.41937763036887 | epot = -20.6982631250954 | etot = -15.7107458821596 -788000 ekin = 2.48851427869081 | erot = 2.49924394097201 | epot = -20.6407407229629 | etot = -15.6529825033001 -789000 ekin = 2.34982946717626 | erot = 2.56420624412215 | epot = -20.6454036959704 | etot = -15.731367984672 -790000 ekin = 2.27171119768142 | erot = 2.49951341291837 | epot = -20.6777685520533 | etot = -15.9065439414535 -791000 ekin = 2.21794673444052 | erot = 2.30373156167707 | epot = -20.733587944852 | etot = -16.2119096487344 -792000 ekin = 2.11119869207691 | erot = 2.39386074875515 | epot = -20.8097229220259 | etot = -16.3046634811938 -793000 ekin = 2.0914986232215 | erot = 2.33936906711867 | epot = -20.8989593305892 | etot = -16.4680916402491 -794000 ekin = 2.07514167964202 | erot = 2.18864817794238 | epot = -21.0024824072348 | etot = -16.7386925496504 -795000 ekin = 2.04599756417741 | erot = 1.93255592398139 | epot = -21.1171979822032 | etot = -17.1386444940444 -796000 ekin = 2.0560011436693 | erot = 2.03200387694587 | epot = -21.2502268612589 | etot = -17.1622218406437 -797000 ekin = 2.02544049585307 | erot = 2.05143967820681 | epot = -21.3783704821385 | etot = -17.3014903080786 -798000 ekin = 2.10531554228792 | erot = 1.92029368041654 | epot = -21.4968277215512 | etot = -17.4712184988467 -799000 ekin = 2.16064788774095 | erot = 1.68829576105933 | epot = -21.5739657591718 | etot = -17.7250221103715 -800000 ekin = 2.21578954821431 | erot = 1.79594742030858 | epot = -21.603956054732 | etot = -17.5922190862092 -801000 ekin = 2.22681551829209 | erot = 1.74309621460738 | epot = -21.6419326028295 | etot = -17.67202086993 -802000 ekin = 2.43626565180586 | erot = 1.85922368535807 | epot = -21.6656085836115 | etot = -17.3701192464476 -803000 ekin = 2.50783665003159 | erot = 1.58815243555041 | epot = -21.7145730788991 | etot = -17.6185839933171 -804000 ekin = 2.54745667479448 | erot = 1.78752251126577 | epot = -21.8111449940636 | etot = -17.4761658080033 -805000 ekin = 2.80080657856553 | erot = 2.23795086847267 | epot = -21.9683564899617 | etot = -16.9295990429235 -806000 ekin = 3.00571166515518 | erot = 2.567719998186 | epot = -22.162148095173 | etot = -16.5887164318318 -807000 ekin = 3.08052739942377 | erot = 2.70802004693296 | epot = -22.3817011009082 | etot = -16.5931536545515 -808000 ekin = 3.0935615091465 | erot = 2.92145006465344 | epot = -22.5983854951432 | etot = -16.5833739213433 -809000 ekin = 3.13660538877476 | erot = 2.76580118315174 | epot = -22.7898921423196 | etot = -16.8874855703931 -810000 ekin = 3.19670438612414 | erot = 3.0603328835606 | epot = -22.9235249464173 | etot = -16.6664876767325 -811000 ekin = 3.2435824870982 | erot = 2.75433145478958 | epot = -22.9913244588506 | etot = -16.9934105169628 -812000 ekin = 3.15387712947527 | erot = 2.67472079387966 | epot = -22.9958338237262 | etot = -17.1672359003712 -813000 ekin = 2.94730683854716 | erot = 2.78448217630032 | epot = -22.9500139539577 | etot = -17.2182249391102 -814000 ekin = 2.84152372531506 | erot = 2.94333861884916 | epot = -22.8861063328149 | etot = -17.1012439886507 -815000 ekin = 2.76239406868367 | erot = 3.2073823268363 | epot = -22.8152543629751 | etot = -16.8454779674551 -816000 ekin = 2.59996655001802 | erot = 2.9541571575398 | epot = -22.7323176380825 | etot = -17.1781939305247 -817000 ekin = 2.50568509693887 | erot = 2.56873279592996 | epot = -22.6565557161143 | etot = -17.5821378232455 -818000 ekin = 2.36879357413845 | erot = 2.62740710801411 | epot = -22.5771576372408 | etot = -17.5809569550882 -819000 ekin = 2.22137153555244 | erot = 2.20921666742025 | epot = -22.5063000643985 | etot = -18.0757118614258 -820000 ekin = 2.15352101503844 | erot = 2.22634472649615 | epot = -22.4644595926715 | etot = -18.0845938511369 -821000 ekin = 2.02682142409779 | erot = 2.27918504669084 | epot = -22.4285107655678 | etot = -18.1225042947792 -822000 ekin = 1.96590621976212 | erot = 2.1193358571147 | epot = -22.3893132044792 | etot = -18.3040711276024 -823000 ekin = 1.87390236474894 | erot = 2.43833928629823 | epot = -22.3766834300039 | etot = -18.0644417789567 -824000 ekin = 1.76511965451009 | erot = 2.08632973066864 | epot = -22.384695570879 | etot = -18.5332461857003 -825000 ekin = 1.72275906923453 | erot = 2.05491870775394 | epot = -22.4158544093933 | etot = -18.6381766324048 -826000 ekin = 1.654231730303 | erot = 1.90118083599813 | epot = -22.4865285736228 | etot = -18.9311160073217 -827000 ekin = 1.6220387740366 | erot = 2.11543908973767 | epot = -22.5672947980656 | etot = -18.8298169342914 -828000 ekin = 1.50840521352428 | erot = 1.94184045091945 | epot = -22.6360835928992 | etot = -19.1858379284554 -829000 ekin = 1.53133011832189 | erot = 2.23719923783634 | epot = -22.6642383844097 | etot = -18.8957090282514 -830000 ekin = 1.57674105330123 | erot = 2.32835034574904 | epot = -22.6990636526513 | etot = -18.793972253601 -831000 ekin = 1.66163281968432 | erot = 2.45366313848764 | epot = -22.728227092002 | etot = -18.6129311338301 -832000 ekin = 1.61575752897352 | erot = 2.36469513946935 | epot = -22.7314805576127 | etot = -18.7510278891698 -833000 ekin = 1.57484623731402 | erot = 2.43716147594987 | epot = -22.731026717864 | etot = -18.7190190046001 -834000 ekin = 1.61211592880252 | erot = 2.27369578074054 | epot = -22.7231073149633 | etot = -18.8372956054203 -835000 ekin = 1.71255063218106 | erot = 2.25145179686401 | epot = -22.7213723561492 | etot = -18.7573699271041 -836000 ekin = 1.66410080947891 | erot = 2.36287362113634 | epot = -22.7106963960556 | etot = -18.6837219654403 -837000 ekin = 1.55393537343306 | erot = 2.19682771055502 | epot = -22.7054421830578 | etot = -18.9546790990697 -838000 ekin = 1.55395449543536 | erot = 1.97831033842468 | epot = -22.6952408411522 | etot = -19.1629760072922 -839000 ekin = 1.56966734033286 | erot = 1.54356794703842 | epot = -22.6819663107275 | etot = -19.5687310233562 -840000 ekin = 1.67828545417797 | erot = 1.72274710399929 | epot = -22.6537987135626 | etot = -19.2527661553853 -841000 ekin = 1.70756024783819 | erot = 1.86878110712351 | epot = -22.6201854793038 | etot = -19.0438441243421 -842000 ekin = 1.65445531752371 | erot = 1.98969497305846 | epot = -22.5834458053272 | etot = -18.939295514745 -843000 ekin = 1.61813041031721 | erot = 1.94297358985358 | epot = -22.5343209800003 | etot = -18.9732169798295 -844000 ekin = 1.66559589059894 | erot = 2.07459583566883 | epot = -22.4909419629376 | etot = -18.7507502366698 -845000 ekin = 1.67372319184911 | erot = 2.01531047459158 | epot = -22.4486472588118 | etot = -18.7596135923711 -846000 ekin = 1.76456308419071 | erot = 2.04286196110294 | epot = -22.390765558653 | etot = -18.5833405133594 -847000 ekin = 1.68474528716571 | erot = 1.95062183544452 | epot = -22.3219698462515 | etot = -18.6866027236413 -848000 ekin = 1.77692080839843 | erot = 1.94903343886577 | epot = -22.2732219411799 | etot = -18.5472676939157 -849000 ekin = 1.80865478838294 | erot = 1.92750105953017 | epot = -22.254397724875 | etot = -18.5182418769619 -850000 ekin = 1.81902433574993 | erot = 1.83695743097569 | epot = -22.289579874299 | etot = -18.6335981075734 -851000 ekin = 1.8919092098265 | erot = 1.99438142785362 | epot = -22.370687738675 | etot = -18.4843971009949 -852000 ekin = 1.85572644981142 | erot = 2.08333690915233 | epot = -22.4954803882537 | etot = -18.55641702929 -853000 ekin = 1.96819950961986 | erot = 2.46522063934758 | epot = -22.6461768022044 | etot = -18.2127566532369 -854000 ekin = 1.99027367747409 | erot = 2.82405245762684 | epot = -22.8233134890086 | etot = -18.0089873539077 -855000 ekin = 2.02041206494495 | erot = 2.76127853932992 | epot = -22.9719213877705 | etot = -18.1902307834956 -856000 ekin = 1.98428835568952 | erot = 2.89398807391186 | epot = -23.0688189336862 | etot = -18.1905425040848 -857000 ekin = 1.94437625728389 | erot = 2.75841683958909 | epot = -23.1174862513516 | etot = -18.4146931544786 -858000 ekin = 1.77145748342923 | erot = 2.97613159794702 | epot = -23.09256410399 | etot = -18.3449750226137 -859000 ekin = 1.75449757825827 | erot = 2.94820975919279 | epot = -23.0174946494366 | etot = -18.3147873119855 -860000 ekin = 1.69824130830274 | erot = 2.56619342882397 | epot = -22.9138277520104 | etot = -18.6493930148837 -861000 ekin = 1.61723118355358 | erot = 2.60723394434931 | epot = -22.7817384645193 | etot = -18.5572733366164 -862000 ekin = 1.65016805241347 | erot = 2.58826826538693 | epot = -22.6306365080491 | etot = -18.3922001902487 -863000 ekin = 1.62167782719988 | erot = 2.32265511281206 | epot = -22.4833247924575 | etot = -18.5389918524456 -864000 ekin = 1.64443917202622 | erot = 2.41694169974078 | epot = -22.3437317075498 | etot = -18.2823508357828 -865000 ekin = 1.6232360705676 | erot = 2.42797649716492 | epot = -22.2339680949561 | etot = -18.1827555272236 -866000 ekin = 1.52330589261667 | erot = 2.43806006675287 | epot = -22.1297693882999 | etot = -18.1684034289304 -867000 ekin = 1.53921563766813 | erot = 2.56348629931229 | epot = -22.0395837686754 | etot = -17.936881831695 -868000 ekin = 1.51596999194589 | erot = 2.55716270739324 | epot = -21.9937420973958 | etot = -17.9206093980567 -869000 ekin = 1.59814692071406 | erot = 2.15771580624658 | epot = -21.9767818689194 | etot = -18.2209191419588 -870000 ekin = 1.62438751258778 | erot = 2.30366665730519 | epot = -22.0119463158222 | etot = -18.0838921459292 -871000 ekin = 1.64699232625249 | erot = 2.29504943910978 | epot = -22.0696451748748 | etot = -18.1276034095125 -872000 ekin = 1.7493610768973 | erot = 1.99655620180651 | epot = -22.1253859835088 | etot = -18.379468704805 -873000 ekin = 1.81958663574001 | erot = 2.15311518592939 | epot = -22.1932828259255 | etot = -18.2205810042561 -874000 ekin = 1.81429910948355 | erot = 2.15191422065537 | epot = -22.2521915372751 | etot = -18.2859782071362 -875000 ekin = 1.92774125136724 | erot = 2.09841769816155 | epot = -22.295019959013 | etot = -18.2688610094842 -876000 ekin = 2.05205383204242 | erot = 1.71112886964279 | epot = -22.3353847724689 | etot = -18.5722020707837 -877000 ekin = 2.00183605233821 | erot = 1.88466440539221 | epot = -22.3587375372267 | etot = -18.4722370794963 -878000 ekin = 1.96978247023496 | erot = 1.94492504421967 | epot = -22.3467650367967 | etot = -18.432057522342 -879000 ekin = 1.89978467383989 | erot = 2.08488575038216 | epot = -22.3245187946312 | etot = -18.3398483704092 -880000 ekin = 1.79316389454238 | erot = 2.0447265911779 | epot = -22.3022731632373 | etot = -18.464382677517 -881000 ekin = 1.84166442689778 | erot = 1.91254711303492 | epot = -22.2610385401995 | etot = -18.5068270002668 -882000 ekin = 1.84084232668587 | erot = 1.89291352333202 | epot = -22.2058993058503 | etot = -18.4721434558324 -883000 ekin = 1.85228381570649 | erot = 2.04568547305427 | epot = -22.1462287912802 | etot = -18.2482595025195 -884000 ekin = 1.74299718482353 | erot = 2.41541515350573 | epot = -22.0952302162142 | etot = -17.936817877885 -885000 ekin = 1.7011370112973 | erot = 2.12494075622072 | epot = -22.0624268043462 | etot = -18.2363490368282 -886000 ekin = 1.65197597472173 | erot = 2.40636683282474 | epot = -22.0395749533722 | etot = -17.9812321458257 -887000 ekin = 1.60780982779807 | erot = 2.52410870185878 | epot = -22.0426576240069 | etot = -17.9107390943501 -888000 ekin = 1.62736239763282 | erot = 2.54417200798801 | epot = -22.0837991546705 | etot = -17.9122647490497 -889000 ekin = 1.56260633742274 | erot = 2.93015784124647 | epot = -22.1644353768122 | etot = -17.671671198143 -890000 ekin = 1.59045576751439 | erot = 2.98817840519876 | epot = -22.2639211219189 | etot = -17.6852869492058 -891000 ekin = 1.56285966089655 | erot = 3.45684679212764 | epot = -22.3811052217716 | etot = -17.3613987687474 -892000 ekin = 1.5433042783868 | erot = 3.72585516837269 | epot = -22.4833521640554 | etot = -17.2141927172959 -893000 ekin = 1.59146757296863 | erot = 3.57834579864732 | epot = -22.5732593414809 | etot = -17.4034459698649 -894000 ekin = 1.62137337508144 | erot = 3.47314499517222 | epot = -22.6375279089989 | etot = -17.5430095387452 -895000 ekin = 1.66705900655095 | erot = 3.49716948137549 | epot = -22.6624975634756 | etot = -17.4982690755491 -896000 ekin = 1.55030206730747 | erot = 3.09080759429309 | epot = -22.6660259737724 | etot = -18.0249163121719 -897000 ekin = 1.59716300255375 | erot = 3.1884711459157 | epot = -22.6447094591909 | etot = -17.8590753107214 -898000 ekin = 1.63846223091607 | erot = 3.52423413884758 | epot = -22.5748070090784 | etot = -17.4121106393147 -899000 ekin = 1.76043242630826 | erot = 3.57817463535426 | epot = -22.5017519688476 | etot = -17.1631449071851 -900000 ekin = 1.79654660125886 | erot = 3.47500564829584 | epot = -22.435532158833 | etot = -17.1639799092783 -901000 ekin = 1.90036826124888 | erot = 3.08289582473293 | epot = -22.3778122198663 | etot = -17.3945481338845 -902000 ekin = 1.86184581507265 | erot = 3.53323519891635 | epot = -22.3343178451943 | etot = -16.9392368312053 -903000 ekin = 1.82612532908466 | erot = 2.94106563489456 | epot = -22.2753946825372 | etot = -17.508203718558 -904000 ekin = 1.83566294124427 | erot = 2.77276060855958 | epot = -22.2178118874605 | etot = -17.6093883376567 -905000 ekin = 1.98760022520356 | erot = 2.39033190744213 | epot = -22.1879073476946 | etot = -17.8099752150489 -906000 ekin = 2.03479331668359 | erot = 2.33442285317147 | epot = -22.1683021524559 | etot = -17.7990859826009 -907000 ekin = 2.13854534243923 | erot = 2.49897360264073 | epot = -22.1329919803474 | etot = -17.4954730352674 -908000 ekin = 2.29292980718743 | erot = 2.19971547335205 | epot = -22.0946544988759 | etot = -17.6020092183364 -909000 ekin = 2.26088767533079 | erot = 2.08032511955685 | epot = -22.0656471636866 | etot = -17.724434368799 -910000 ekin = 2.24374768453805 | erot = 2.05633395260619 | epot = -22.0263801495106 | etot = -17.7262985123664 -911000 ekin = 2.21169387792048 | erot = 2.07671300621213 | epot = -21.9687563877575 | etot = -17.6803495036249 -912000 ekin = 2.2634282786901 | erot = 2.19424965404288 | epot = -21.8985767358493 | etot = -17.4408988031163 -913000 ekin = 2.25810530261871 | erot = 2.15174616542683 | epot = -21.8202885495934 | etot = -17.4104370815479 -914000 ekin = 2.22041757979719 | erot = 2.112964313505 | epot = -21.7659012518198 | etot = -17.4325193585176 -915000 ekin = 2.3058538526313 | erot = 2.01195201885166 | epot = -21.710587261287 | etot = -17.3927813898041 -916000 ekin = 2.31746417556776 | erot = 2.26468835943419 | epot = -21.6446439231988 | etot = -17.0624913881969 -917000 ekin = 2.29083855377465 | erot = 2.35266040877195 | epot = -21.5981818981915 | etot = -16.9546829356449 -918000 ekin = 2.21948812241831 | erot = 2.67757709392787 | epot = -21.5768387043291 | etot = -16.6797734879829 -919000 ekin = 2.17502484144656 | erot = 2.50505023715203 | epot = -21.5962136980994 | etot = -16.9161386195008 -920000 ekin = 2.05225364762711 | erot = 2.28466235959408 | epot = -21.6248903594419 | etot = -17.2879743522207 -921000 ekin = 1.95826631853156 | erot = 2.44785811644725 | epot = -21.6449866661272 | etot = -17.2388622311484 -922000 ekin = 1.88713416312701 | erot = 2.20407498665963 | epot = -21.6433309330735 | etot = -17.5521217832869 -923000 ekin = 1.85499144920864 | erot = 2.47959433102065 | epot = -21.6219980061652 | etot = -17.2874122259359 -924000 ekin = 1.82449923254799 | erot = 2.43607326145712 | epot = -21.581122536388 | etot = -17.3205500423829 -925000 ekin = 1.75365416617991 | erot = 2.6704338213266 | epot = -21.5654424680514 | etot = -17.1413544805449 -926000 ekin = 1.82728938436568 | erot = 2.42568919454089 | epot = -21.5649010983331 | etot = -17.3119225194266 -927000 ekin = 1.71111907929799 | erot = 2.49634793929369 | epot = -21.5869585210632 | etot = -17.3794915024715 -928000 ekin = 1.64740049786963 | erot = 2.5378889624632 | epot = -21.6442370240019 | etot = -17.4589475636691 -929000 ekin = 1.68616483039163 | erot = 2.2627280589498 | epot = -21.7404415309175 | etot = -17.7915486415761 -930000 ekin = 1.8057977284219 | erot = 2.41185782526022 | epot = -21.8766034841546 | etot = -17.6589479304725 -931000 ekin = 1.84540351563189 | erot = 2.51429545094947 | epot = -22.0343594510998 | etot = -17.6746604845185 -932000 ekin = 1.91948716687413 | erot = 2.5078924614536 | epot = -22.210720099767 | etot = -17.7833404714392 -933000 ekin = 2.08806765097296 | erot = 2.54053118825007 | epot = -22.3857648909584 | etot = -17.7571660517354 -934000 ekin = 2.15790983140663 | erot = 2.35997810662255 | epot = -22.5303312795783 | etot = -18.0124433415491 -935000 ekin = 2.25791486608222 | erot = 2.61090003819346 | epot = -22.6566492074988 | etot = -17.7878343032231 -936000 ekin = 2.28694449910393 | erot = 2.88785018879364 | epot = -22.7387712915678 | etot = -17.5639766036702 -937000 ekin = 2.25985365977459 | erot = 2.68904834283785 | epot = -22.7546509524832 | etot = -17.8057489498707 -938000 ekin = 2.28814448880636 | erot = 2.54450017128454 | epot = -22.6975117726246 | etot = -17.8648671125337 -939000 ekin = 2.22181328678752 | erot = 2.40773891474717 | epot = -22.5724060300395 | etot = -17.9428538285048 -940000 ekin = 2.1904731805913 | erot = 2.24413418480596 | epot = -22.382599968865 | etot = -17.9479926034678 -941000 ekin = 1.97789684714955 | erot = 2.11351242298925 | epot = -22.1581596355121 | etot = -18.0667503653733 -942000 ekin = 1.82283426550965 | erot = 2.02814504753847 | epot = -21.9245079619175 | etot = -18.0735286488694 -943000 ekin = 1.77337816858732 | erot = 1.98390662003602 | epot = -21.7436762740877 | etot = -17.9863914854644 -944000 ekin = 1.74129354399816 | erot = 2.02570172818747 | epot = -21.6008012672883 | etot = -17.8338059951026 -945000 ekin = 1.72896560635122 | erot = 2.2099750803776 | epot = -21.5146553493564 | etot = -17.5757146626276 -946000 ekin = 1.90743436357407 | erot = 2.13705774217383 | epot = -21.4832307541172 | etot = -17.4387386483693 -947000 ekin = 2.028379866634 | erot = 2.29971426385207 | epot = -21.4794165970829 | etot = -17.1513224665968 -948000 ekin = 2.03783072879855 | erot = 2.11465543087289 | epot = -21.4989322229569 | etot = -17.3464460632855 -949000 ekin = 2.16990164234306 | erot = 1.99168801462696 | epot = -21.5364977263911 | etot = -17.3749080694211 -950000 ekin = 2.24527818418913 | erot = 2.12106218398704 | epot = -21.6200851503001 | etot = -17.253744782124 -951000 ekin = 2.35977794911024 | erot = 2.09437757436299 | epot = -21.718296700309 | etot = -17.2641411768358 -952000 ekin = 2.43036880893062 | erot = 2.60988991207355 | epot = -21.8098996400664 | etot = -16.7696409190622 -953000 ekin = 2.58164820045211 | erot = 2.62403788420625 | epot = -21.9145443047315 | etot = -16.7088582200731 -954000 ekin = 2.67569984167854 | erot = 2.49812470218295 | epot = -21.9760951843273 | etot = -16.8022706404658 -955000 ekin = 2.87107117644804 | erot = 2.70877614839034 | epot = -22.0056490566507 | etot = -16.4258017318124 -956000 ekin = 3.09772559508496 | erot = 2.62503444551481 | epot = -21.9996173766366 | etot = -16.2768573360369 -957000 ekin = 3.06387016720788 | erot = 2.83023563118165 | epot = -21.9356950338519 | etot = -16.0415892354624 -958000 ekin = 3.15191228692187 | erot = 2.56018473189795 | epot = -21.7995256048187 | etot = -16.0874285859989 -959000 ekin = 3.17671440939285 | erot = 2.4842151393073 | epot = -21.6207768556276 | etot = -15.9598473069274 -960000 ekin = 3.01275155896461 | erot = 2.431673793689 | epot = -21.4002125285923 | etot = -15.9557871759387 -961000 ekin = 2.94603084981591 | erot = 2.28503967365799 | epot = -21.1407696110433 | etot = -15.9096990875694 -962000 ekin = 2.87549986152203 | erot = 2.26764795390621 | epot = -20.8628900961283 | etot = -15.7197422807 -963000 ekin = 2.72736350188063 | erot = 2.02845193194806 | epot = -20.6025221949606 | etot = -15.8467067611319 -964000 ekin = 2.55766914747927 | erot = 1.90275324626263 | epot = -20.3671083669859 | etot = -15.906685973244 -965000 ekin = 2.42945571607322 | erot = 1.87896821137038 | epot = -20.1665878867516 | etot = -15.858163959308 -966000 ekin = 2.30432659917118 | erot = 2.05976948111884 | epot = -20.0345331150588 | etot = -15.6704370347688 -967000 ekin = 2.19239153699739 | erot = 2.23712663137927 | epot = -19.93047491381 | etot = -15.5009567454333 -968000 ekin = 2.12056467997116 | erot = 2.29258395928729 | epot = -19.8478936101842 | etot = -15.4347449709257 -969000 ekin = 2.03082359465821 | erot = 2.12561043987577 | epot = -19.8204193361086 | etot = -15.6639853015746 -970000 ekin = 2.06263818102141 | erot = 2.20772735706072 | epot = -19.8171007441947 | etot = -15.5467352061125 -971000 ekin = 2.07242738756087 | erot = 2.39359294752953 | epot = -19.8426078132312 | etot = -15.3765874781408 -972000 ekin = 2.13593664400655 | erot = 2.51621155234823 | epot = -19.8711039585032 | etot = -15.2189557621484 -973000 ekin = 2.19239588059432 | erot = 2.71817846233973 | epot = -19.8806125652158 | etot = -14.9700382222818 -974000 ekin = 2.08126353721536 | erot = 2.92742241693054 | epot = -19.8623774193927 | etot = -14.8536914652468 -975000 ekin = 2.0110783324585 | erot = 2.57768138393002 | epot = -19.8162471814878 | etot = -15.2274874650993 -976000 ekin = 1.90089112618523 | erot = 2.56071712862254 | epot = -19.7674234084161 | etot = -15.3058151536083 -977000 ekin = 1.82747564687015 | erot = 2.561175280289 | epot = -19.6916974381971 | etot = -15.303046511038 -978000 ekin = 1.81823178973058 | erot = 2.21507357951039 | epot = -19.6525909549454 | etot = -15.6192855857044 -979000 ekin = 1.8602091000828 | erot = 2.09761460514009 | epot = -19.6622349611945 | etot = -15.7044112559716 -980000 ekin = 1.8981306313303 | erot = 1.86971657434407 | epot = -19.6793196081168 | etot = -15.9114724024424 -981000 ekin = 1.96055767456421 | erot = 1.80588067180903 | epot = -19.7616283768435 | etot = -15.9951900304703 -982000 ekin = 2.04211859099661 | erot = 2.0065708647352 | epot = -19.8926418365965 | etot = -15.8439523808647 -983000 ekin = 2.08434248544488 | erot = 2.13281702823496 | epot = -20.0190963786397 | etot = -15.8019368649599 -984000 ekin = 2.28263945352163 | erot = 2.30206381624197 | epot = -20.1817376774969 | etot = -15.5970344077333 -985000 ekin = 2.33165973691051 | erot = 2.36792674462185 | epot = -20.3496337869023 | etot = -15.65004730537 -986000 ekin = 2.36845296330311 | erot = 2.40477790490572 | epot = -20.5172631957726 | etot = -15.7440323275638 -987000 ekin = 2.44660573334477 | erot = 2.60656597532256 | epot = -20.6827873919813 | etot = -15.629615683314 -988000 ekin = 2.48779340096477 | erot = 2.57507657271676 | epot = -20.8472563124179 | etot = -15.7843863387364 -989000 ekin = 2.62562775055009 | erot = 2.7875350688748 | epot = -20.9917314563749 | etot = -15.57856863695 -990000 ekin = 2.71356724748619 | erot = 3.06120975803976 | epot = -21.1004443459535 | etot = -15.3256673404276 -991000 ekin = 2.84485263344776 | erot = 3.42057995731802 | epot = -21.1508216928249 | etot = -14.8853891020592 -992000 ekin = 2.88616886570543 | erot = 3.47043505669747 | epot = -21.1491979980144 | etot = -14.7925940756115 -993000 ekin = 2.86101706987592 | erot = 3.40172740673593 | epot = -21.1075232078054 | etot = -14.8447787311935 -994000 ekin = 2.90016396739103 | erot = 3.68400469178538 | epot = -21.0544509503641 | etot = -14.4702822911876 -995000 ekin = 2.84836922582537 | erot = 3.86724891435329 | epot = -20.9907241498061 | etot = -14.2751060096275 -996000 ekin = 2.87268648345341 | erot = 3.37952872488001 | epot = -20.9186469222953 | etot = -14.6664317139619 -997000 ekin = 2.84260788754428 | erot = 3.24170863044316 | epot = -20.8185896660715 | etot = -14.7342731480841 -998000 ekin = 2.86644419268205 | erot = 3.30788437736625 | epot = -20.6892589093475 | etot = -14.5149303392992 -999000 ekin = 2.91762607564667 | erot = 3.19659159185214 | epot = -20.5404731143958 | etot = -14.426255446897 -1000000 ekin = 2.92466509156961 | erot = 2.67428308533433 | epot = -20.3978646538425 | etot = -14.7989164769385 - 1000000 0.12998512 -1.3075422 0.032675661 -1.092075 0.0002012331 64000 -Loop time of 37.6859 on 1 procs for 1000000 steps with 16 atoms - -Performance: 22926.360 tau/day, 26535.139 timesteps/s -99.2% CPU use with 1 MPI tasks x no OpenMP threads - -MPI task timing breakdown: -Section | min time | avg time | max time |%varavg| %total ---------------------------------------------------------------- -Pair | 31.712 | 31.712 | 31.712 | 0.0 | 84.15 -Bond | 1.0014 | 1.0014 | 1.0014 | 0.0 | 2.66 -Neigh | 0.014936 | 0.014936 | 0.014936 | 0.0 | 0.04 -Comm | 0.23328 | 0.23328 | 0.23328 | 0.0 | 0.62 -Output | 0.16016 | 0.16016 | 0.16016 | 0.0 | 0.42 -Modify | 4.2289 | 4.2289 | 4.2289 | 0.0 | 11.22 -Other | | 0.3355 | | | 0.89 - -Nlocal: 16.0000 ave 16 max 16 min -Histogram: 1 0 0 0 0 0 0 0 0 0 -Nghost: 0.00000 ave 0 max 0 min -Histogram: 1 0 0 0 0 0 0 0 0 0 -Neighs: 107.000 ave 107 max 107 min -Histogram: 1 0 0 0 0 0 0 0 0 0 - -Total # of neighbors = 107 -Ave neighs/atom = 6.6875000 -Ave special neighs/atom = 3.7500000 -Neighbor list builds = 1000 -Dangerous builds = 0 - -write_data last_config.${number}.* nocoeff -write_data last_config.2.* nocoeff -System init for write_data ... -Total wall time: 0:00:37 diff --git a/examples/PACKAGES/cgdna/examples/oxDNA2/duplex2/log.27May21.duplex2.g++.4 b/examples/PACKAGES/cgdna/examples/oxDNA2/duplex2/log.27May21.duplex2.g++.4 deleted file mode 100644 index 0cd4417b42..0000000000 --- a/examples/PACKAGES/cgdna/examples/oxDNA2/duplex2/log.27May21.duplex2.g++.4 +++ /dev/null @@ -1,1182 +0,0 @@ -LAMMPS (27 May 2021) -variable number equal 2 -variable ofreq equal 1000 -variable efreq equal 1000 -variable T equal 0.1 -variable rhos equal 0.2 - -units lj - -dimension 3 - -newton off - -boundary p p p - -atom_style hybrid bond ellipsoid oxdna -WARNING: Atom style hybrid defines both, per-type and per-atom masses; both must be set, but only per-atom masses will be used (../atom_vec_hybrid.cpp:157) -atom_modify sort 0 1.0 - -# Pair interactions require lists of neighbours to be calculated -neighbor 2.0 bin -neigh_modify every 1 delay 0 check yes - -read_data data.duplex2 -Reading data file ... - orthogonal box = (-20.000000 -20.000000 -20.000000) to (20.000000 20.000000 20.000000) - 1 by 2 by 2 MPI processor grid - reading atoms ... - 16 atoms - reading velocities ... - 16 velocities - scanning bonds ... - 2 = max bonds/atom - 16 ellipsoids - reading bonds ... - 13 bonds -Finding 1-2 1-3 1-4 neighbors ... - special bond factors lj: 0 0 0 - special bond factors coul: 0 0 0 - 2 = max # of 1-2 neighbors - 2 = max # of 1-3 neighbors - 4 = max # of 1-4 neighbors - 6 = max # of special neighbors - special bonds CPU = 0.001 seconds - read_data CPU = 0.005 seconds - -set atom * mass 3.1575 -Setting atom values ... - 16 settings made for mass - -group all type 1 4 -16 atoms in group all - -# oxDNA2 bond interactions - FENE backbone -bond_style oxdna2/fene -bond_coeff * 2.0 0.25 0.7564 -special_bonds lj 0 1 1 -Finding 1-2 1-3 1-4 neighbors ... - special bond factors lj: 0 1 1 - special bond factors coul: 0 0 0 - 2 = max # of 1-2 neighbors - 2 = max # of 1-3 neighbors - 4 = max # of 1-4 neighbors - 6 = max # of special neighbors - special bonds CPU = 0.000 seconds - -# oxDNA2 pair interactions -pair_style hybrid/overlay oxdna2/excv oxdna2/stk oxdna2/hbond oxdna2/xstk oxdna2/coaxstk oxdna2/dh -pair_coeff * * oxdna2/excv 2.0 0.7 0.675 2.0 0.515 0.5 2.0 0.33 0.32 -pair_coeff * * oxdna2/stk seqav ${T} 1.3523 2.6717 6.0 0.4 0.9 0.32 0.75 1.3 0 0.8 0.9 0 0.95 0.9 0 0.95 2.0 0.65 2.0 0.65 -pair_coeff * * oxdna2/stk seqav 0.1 1.3523 2.6717 6.0 0.4 0.9 0.32 0.75 1.3 0 0.8 0.9 0 0.95 0.9 0 0.95 2.0 0.65 2.0 0.65 -pair_coeff * * oxdna2/hbond seqav 0.0 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 -pair_coeff 1 4 oxdna2/hbond seqav 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 -pair_coeff 2 3 oxdna2/hbond seqav 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 -pair_coeff * * oxdna2/xstk 47.5 0.575 0.675 0.495 0.655 2.25 0.791592653589793 0.58 1.7 1.0 0.68 1.7 1.0 0.68 1.5 0 0.65 1.7 0.875 0.68 1.7 0.875 0.68 -pair_coeff * * oxdna2/coaxstk 58.5 0.4 0.6 0.22 0.58 2.0 2.891592653589793 0.65 1.3 0 0.8 0.9 0 0.95 0.9 0 0.95 40.0 3.116592653589793 -pair_coeff * * oxdna2/dh ${T} ${rhos} 0.815 -pair_coeff * * oxdna2/dh 0.1 ${rhos} 0.815 -pair_coeff * * oxdna2/dh 0.1 0.2 0.815 - -# NVE ensemble -fix 1 all nve/asphere -fix 2 all langevin ${T} ${T} 2.5 457145 angmom 10 -fix 2 all langevin 0.1 ${T} 2.5 457145 angmom 10 -fix 2 all langevin 0.1 0.1 2.5 457145 angmom 10 - -timestep 1e-5 - -#comm_style tiled -fix 3 all balance 1000 1.03 shift xyz 10 1.03 -comm_modify cutoff 3.8 - -compute quat all property/atom quatw quati quatj quatk - -compute erot all erotate/asphere -compute ekin all ke -compute epot all pe -variable erot equal c_erot -variable ekin equal c_ekin -variable epot equal c_epot -variable etot equal c_erot+c_ekin+c_epot -fix 5 all print ${efreq} "$(step) ekin = ${ekin} | erot = ${erot} | epot = ${epot} | etot = ${etot}" screen yes -fix 5 all print 1000 "$(step) ekin = ${ekin} | erot = ${erot} | epot = ${epot} | etot = ${etot}" screen yes - -dump out all custom ${ofreq} out.${number}.lammpstrj id mol type x y z ix iy iz vx vy vz c_quat[1] c_quat[2] c_quat[3] c_quat[4] angmomx angmomy angmomz -dump out all custom 1000 out.${number}.lammpstrj id mol type x y z ix iy iz vx vy vz c_quat[1] c_quat[2] c_quat[3] c_quat[4] angmomx angmomy angmomz -dump out all custom 1000 out.2.lammpstrj id mol type x y z ix iy iz vx vy vz c_quat[1] c_quat[2] c_quat[3] c_quat[4] angmomx angmomy angmomz -dump_modify out sort id -dump_modify out format line "%d %d %d %22.15le %22.15le %22.15le %d %d %d %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le" - -run 1000000 -Neighbor list info ... - update every 1 steps, delay 0 steps, check yes - max neighbors/atom: 2000, page size: 100000 - master list distance cutoff = 5.6389877 - ghost atom cutoff = 5.6389877 - binsize = 2.8194939, bins = 15 15 15 - 5 neighbor lists, perpetual/occasional/extra = 5 0 0 - (1) pair oxdna2/excv, perpetual - attributes: half, newton off - pair build: half/bin/newtoff - stencil: full/bin/3d - bin: standard - (2) pair oxdna2/hbond, perpetual, copy from (1) - attributes: half, newton off - pair build: copy - stencil: none - bin: none - (3) pair oxdna2/xstk, perpetual, copy from (1) - attributes: half, newton off - pair build: copy - stencil: none - bin: none - (4) pair oxdna2/coaxstk, perpetual, copy from (1) - attributes: half, newton off - pair build: copy - stencil: none - bin: none - (5) pair oxdna2/dh, perpetual, copy from (1) - attributes: half, newton off - pair build: copy - stencil: none - bin: none -WARNING: Communication cutoff adjusted to 5.638987723814632 (../comm.cpp:739) -0 ekin = 2.70475393009871 | erot = 2.80172072918779 | epot = -21.0482852787267 | etot = -15.5418106194402 -Per MPI rank memory allocation (min/avg/max) = 9.570 | 9.599 | 9.684 Mbytes -Step Temp E_pair E_mol TotEng Press Volume - 0 0.12021129 -1.3610384 0.045520537 -1.1464707 5.9660461e-05 64000 -1000 ekin = 2.72013629959678 | erot = 3.04690178503881 | epot = -20.8790776967073 | etot = -15.1120396120718 -2000 ekin = 2.78009554567455 | erot = 2.50647079931992 | epot = -20.701004729611 | etot = -15.4144383846165 -3000 ekin = 2.76688166744693 | erot = 2.2821949377072 | epot = -20.5676929006559 | etot = -15.5186162955017 -4000 ekin = 2.70260128929367 | erot = 2.27403484282169 | epot = -20.4705557396832 | etot = -15.4939196075679 -5000 ekin = 2.64234178224169 | erot = 2.30733191000246 | epot = -20.423605764695 | etot = -15.4739320724509 -6000 ekin = 2.65801663486023 | erot = 2.39066626378173 | epot = -20.4246308066932 | etot = -15.3759479080512 -7000 ekin = 2.68316645880461 | erot = 2.33063300072945 | epot = -20.4749165048776 | etot = -15.4611170453436 -8000 ekin = 2.59120591314502 | erot = 2.0547790667844 | epot = -20.5631212612484 | etot = -15.917136281319 -9000 ekin = 2.65376648779414 | erot = 2.11575091090835 | epot = -20.6881173411843 | etot = -15.9185999424818 -10000 ekin = 2.77402134048095 | erot = 2.56538522546418 | epot = -20.812379085734 | etot = -15.4729725197888 -11000 ekin = 2.67401627862024 | erot = 2.8852684806639 | epot = -20.9238620704284 | etot = -15.3645773111443 -12000 ekin = 2.69364271301778 | erot = 2.66699911618312 | epot = -21.0407385357143 | etot = -15.6800967065134 -13000 ekin = 2.7835207626619 | erot = 2.62517780661367 | epot = -21.1720350247762 | etot = -15.7633364555007 -14000 ekin = 2.84595331390101 | erot = 2.43480334086399 | epot = -21.2963503704521 | etot = -16.0155937156871 -15000 ekin = 2.88907009700338 | erot = 2.41912745049441 | epot = -21.4150808543173 | etot = -16.1068833068195 -16000 ekin = 3.00758069356163 | erot = 2.63110801135323 | epot = -21.5261697271622 | etot = -15.8874810222474 -17000 ekin = 3.08749820661834 | erot = 2.5313798011721 | epot = -21.6092998996455 | etot = -15.990421891855 -18000 ekin = 2.97601119892236 | erot = 2.53805591696762 | epot = -21.6415056622546 | etot = -16.1274385463646 -19000 ekin = 2.8848844473712 | erot = 2.54441184479443 | epot = -21.6205491988714 | etot = -16.1912529067057 -20000 ekin = 2.65941914113234 | erot = 2.80243564233628 | epot = -21.5551870578305 | etot = -16.0933322743619 -21000 ekin = 2.57547433431649 | erot = 2.7496552753446 | epot = -21.4613716405082 | etot = -16.1362420308471 -22000 ekin = 2.53510807627333 | erot = 2.74029747587436 | epot = -21.3396334655202 | etot = -16.0642279133725 -23000 ekin = 2.40091416401757 | erot = 2.41245160665477 | epot = -21.2029723825425 | etot = -16.3896066118702 -24000 ekin = 2.35240654345191 | erot = 2.10101829600981 | epot = -21.0659817341104 | etot = -16.6125568946487 -25000 ekin = 2.24250544456842 | erot = 2.18590508799003 | epot = -20.9513445132091 | etot = -16.5229339806506 -26000 ekin = 2.15423649133114 | erot = 2.45727700237473 | epot = -20.866937908599 | etot = -16.2554244148931 -27000 ekin = 1.93524632585275 | erot = 2.34650303801409 | epot = -20.8326435236229 | etot = -16.5508941597561 -28000 ekin = 1.76943324443446 | erot = 2.41353675794598 | epot = -20.8217433644356 | etot = -16.6387733620552 -29000 ekin = 1.75176430946868 | erot = 2.21029128532645 | epot = -20.8529129923908 | etot = -16.8908573975956 -30000 ekin = 1.69211824889088 | erot = 2.43399158562873 | epot = -20.9103885167126 | etot = -16.784278682193 -31000 ekin = 1.72526028314479 | erot = 2.32450864670459 | epot = -21.0087646424163 | etot = -16.9589957125669 -32000 ekin = 1.85144315905103 | erot = 2.36996515630943 | epot = -21.1366890377948 | etot = -16.9152807224343 -33000 ekin = 1.92914135939677 | erot = 2.55157176589721 | epot = -21.2867811906613 | etot = -16.8060680653673 -34000 ekin = 1.86488201964575 | erot = 2.70400704788851 | epot = -21.4771748939503 | etot = -16.908285826416 -35000 ekin = 1.82452979540543 | erot = 2.88148899883832 | epot = -21.6928620054229 | etot = -16.9868432111792 -36000 ekin = 1.85882387630624 | erot = 2.79217577332803 | epot = -21.8984987105766 | etot = -17.2474990609424 -37000 ekin = 1.92831232163797 | erot = 2.92698521263713 | epot = -22.097948831493 | etot = -17.2426512972179 -38000 ekin = 1.935816304174 | erot = 2.90317027990001 | epot = -22.2686450915845 | etot = -17.4296585075105 -39000 ekin = 2.01059319335201 | erot = 2.94480429938125 | epot = -22.3778651261379 | etot = -17.4224676334047 -40000 ekin = 1.9707104121532 | erot = 2.93286391865189 | epot = -22.417858975573 | etot = -17.5142846447679 -41000 ekin = 2.05746434456946 | erot = 2.68242698010624 | epot = -22.3807196920657 | etot = -17.64082836739 -42000 ekin = 2.0911250992276 | erot = 2.6968518051769 | epot = -22.2906811943749 | etot = -17.5027042899704 -43000 ekin = 2.01814513009277 | erot = 2.85562815769075 | epot = -22.1601960046645 | etot = -17.2864227168809 -44000 ekin = 1.9217179974809 | erot = 2.74064501961459 | epot = -22.0236920121946 | etot = -17.3613289950991 -45000 ekin = 1.81213357146532 | erot = 2.33969637171489 | epot = -21.9013900155101 | etot = -17.7495600723299 -46000 ekin = 1.70431886268157 | erot = 2.39010616929271 | epot = -21.7951136139008 | etot = -17.7006885819265 -47000 ekin = 1.66181647983356 | erot = 2.43237478783467 | epot = -21.692979578058 | etot = -17.5987883103898 -48000 ekin = 1.6064085128736 | erot = 2.34869900597689 | epot = -21.5897329144351 | etot = -17.6346253955846 -49000 ekin = 1.52653989846239 | erot = 2.00084533105261 | epot = -21.5040522645286 | etot = -17.9766670350136 -50000 ekin = 1.44266718781295 | erot = 2.13453634177553 | epot = -21.4422830581905 | etot = -17.865079528602 -51000 ekin = 1.43550636726016 | erot = 2.23006562743143 | epot = -21.3792358932285 | etot = -17.713663898537 -52000 ekin = 1.41917583919533 | erot = 2.33479503366763 | epot = -21.3396501545003 | etot = -17.5856792816373 -53000 ekin = 1.50159149702876 | erot = 2.56353973620708 | epot = -21.3318420135024 | etot = -17.2667107802665 -54000 ekin = 1.53108046116779 | erot = 2.69431714698444 | epot = -21.3427130336452 | etot = -17.117315425493 -55000 ekin = 1.5720449679094 | erot = 2.27080332163902 | epot = -21.3613604522624 | etot = -17.518512162714 -56000 ekin = 1.49781857063065 | erot = 2.33086022046605 | epot = -21.3901677321077 | etot = -17.561488941011 -57000 ekin = 1.503261266716 | erot = 2.18728874275908 | epot = -21.4375848454808 | etot = -17.7470348360058 -58000 ekin = 1.56885163164476 | erot = 2.04781187994405 | epot = -21.4901198020452 | etot = -17.8734562904564 -59000 ekin = 1.6445687577087 | erot = 2.0921617030342 | epot = -21.5467238774716 | etot = -17.8099934167287 -60000 ekin = 1.6169192573205 | erot = 2.29542751813012 | epot = -21.6038795960773 | etot = -17.6915328206267 -61000 ekin = 1.65884539872101 | erot = 2.1084734948915 | epot = -21.6559771193387 | etot = -17.8886582257262 -62000 ekin = 1.72309094226646 | erot = 2.30407725612069 | epot = -21.7076104489971 | etot = -17.6804422506099 -63000 ekin = 1.68827086718387 | erot = 2.43329143180656 | epot = -21.7495751902361 | etot = -17.6280128912457 -64000 ekin = 1.77925986833289 | erot = 2.43931965882654 | epot = -21.7824788671426 | etot = -17.5638993399832 -65000 ekin = 1.71201207010361 | erot = 2.055652813486 | epot = -21.8004838491859 | etot = -18.0328189655963 -66000 ekin = 1.72258841195346 | erot = 1.8922111104938 | epot = -21.8042275382222 | etot = -18.1894280157749 -67000 ekin = 1.81093386427591 | erot = 1.9714982271847 | epot = -21.8237244535635 | etot = -18.0412923621029 -68000 ekin = 1.92086731218825 | erot = 2.04627775213356 | epot = -21.853856684096 | etot = -17.8867116197742 -69000 ekin = 1.95769420352299 | erot = 2.00695954556819 | epot = -21.8959292342322 | etot = -17.9312754851411 -70000 ekin = 2.04640812952272 | erot = 1.99675167399818 | epot = -21.9385347387981 | etot = -17.8953749352772 -71000 ekin = 2.09757818208408 | erot = 2.01099773767172 | epot = -21.9790979736474 | etot = -17.8705220538916 -72000 ekin = 2.17178409239839 | erot = 2.18113395841071 | epot = -22.015468769256 | etot = -17.6625507184469 -73000 ekin = 2.15190632785464 | erot = 2.45126940688759 | epot = -22.0387524357625 | etot = -17.4355767010203 -74000 ekin = 2.16265422451101 | erot = 2.15818555561656 | epot = -22.0321747353182 | etot = -17.7113349551906 -75000 ekin = 2.14414193832382 | erot = 1.98187999045799 | epot = -22.0167291804319 | etot = -17.8907072516501 -76000 ekin = 2.24692887257252 | erot = 1.89718749935303 | epot = -21.9954563023383 | etot = -17.8513399304128 -77000 ekin = 2.23929641773342 | erot = 1.79331586377881 | epot = -21.9651666845261 | etot = -17.9325544030139 -78000 ekin = 2.25131896609554 | erot = 1.81371170007279 | epot = -21.9326569846905 | etot = -17.8676263185222 -79000 ekin = 2.27306161178794 | erot = 1.71185434931883 | epot = -21.8897569865356 | etot = -17.9048410254288 -80000 ekin = 2.39399894443299 | erot = 1.35732464587517 | epot = -21.8616153060318 | etot = -18.1102917157236 -81000 ekin = 2.47373459732163 | erot = 1.54787737363677 | epot = -21.8542089705401 | etot = -17.8325969995817 -82000 ekin = 2.47280496509114 | erot = 1.57756404285384 | epot = -21.8821357876168 | etot = -17.8317667796718 -83000 ekin = 2.48717741782561 | erot = 1.71069094857345 | epot = -21.9195089096536 | etot = -17.7216405432545 -84000 ekin = 2.44796638425876 | erot = 2.01404972344718 | epot = -21.9668916260735 | etot = -17.5048755183675 -85000 ekin = 2.3957408319547 | erot = 2.32413660190234 | epot = -22.0180542299227 | etot = -17.2981767960657 -86000 ekin = 2.48782292320374 | erot = 1.96978488305034 | epot = -22.0725803391446 | etot = -17.6149725328905 -87000 ekin = 2.57930151405764 | erot = 2.2570902138915 | epot = -22.1348945159438 | etot = -17.2985027879947 -88000 ekin = 2.6956024897412 | erot = 2.13715554675378 | epot = -22.1930571194782 | etot = -17.3602990829832 -89000 ekin = 2.72380030029144 | erot = 2.11665976738326 | epot = -22.2588492472984 | etot = -17.4183891796237 -90000 ekin = 2.7775820443459 | erot = 2.3087167926615 | epot = -22.3316634662033 | etot = -17.2453646291959 -91000 ekin = 2.78121426761679 | erot = 2.06238861884245 | epot = -22.3950019314361 | etot = -17.5513990449768 -92000 ekin = 2.82075935404361 | erot = 2.27555189363852 | epot = -22.4458982217016 | etot = -17.3495869740194 -93000 ekin = 2.74234324408922 | erot = 2.73218737047999 | epot = -22.4777668035594 | etot = -17.0032361889902 -94000 ekin = 2.70595529611257 | erot = 2.8219193945842 | epot = -22.4719589759707 | etot = -16.9440842852739 -95000 ekin = 2.60066897821264 | erot = 2.87810504187081 | epot = -22.4346047957434 | etot = -16.9558307756599 -96000 ekin = 2.6262407611824 | erot = 3.14516589179064 | epot = -22.3619497140362 | etot = -16.5905430610632 -97000 ekin = 2.53528413246992 | erot = 2.79030318337089 | epot = -22.2496930254016 | etot = -16.9241057095608 -98000 ekin = 2.63666210187981 | erot = 2.76857448865096 | epot = -22.1491630400741 | etot = -16.7439264495434 -99000 ekin = 2.65483668512638 | erot = 2.78595031296347 | epot = -22.0460055113192 | etot = -16.6052185132294 -100000 ekin = 2.61516760613048 | erot = 2.20131962587002 | epot = -21.9508073892687 | etot = -17.1343201572682 -101000 ekin = 2.54624393295481 | erot = 2.36995664901277 | epot = -21.8740804698391 | etot = -16.9578798878716 -102000 ekin = 2.51242302732686 | erot = 2.61025478737428 | epot = -21.821356011813 | etot = -16.6986781971118 -103000 ekin = 2.47093986976496 | erot = 2.46981056153027 | epot = -21.7940331055599 | etot = -16.8532826742647 -104000 ekin = 2.46347963016611 | erot = 2.49008073758038 | epot = -21.7873646863928 | etot = -16.8338043186463 -105000 ekin = 2.38625333180197 | erot = 2.62338268192898 | epot = -21.7895340190363 | etot = -16.7798980053054 -106000 ekin = 2.31544255189987 | erot = 2.76529048503053 | epot = -21.7908248307259 | etot = -16.7100917937955 -107000 ekin = 2.35684717555652 | erot = 2.65933844478903 | epot = -21.7713781480754 | etot = -16.7551925277298 -108000 ekin = 2.29901143856397 | erot = 2.67802590245662 | epot = -21.7311454445308 | etot = -16.7541081035102 -109000 ekin = 2.32828462660076 | erot = 2.93774189015171 | epot = -21.6703154087736 | etot = -16.4042888920211 -110000 ekin = 2.27463751555897 | erot = 2.84342022670568 | epot = -21.5866031030149 | etot = -16.4685453607503 -111000 ekin = 2.17735794909434 | erot = 2.50678168266737 | epot = -21.4648745015602 | etot = -16.7807348697985 -112000 ekin = 2.185499595072 | erot = 2.55181336139714 | epot = -21.2989895507539 | etot = -16.5616765942847 -113000 ekin = 2.1730426325684 | erot = 2.34739205656817 | epot = -21.1119565159277 | etot = -16.5915218267911 -114000 ekin = 2.125108069316 | erot = 2.37674761233523 | epot = -20.9271632839068 | etot = -16.4253076022556 -115000 ekin = 2.06139325414478 | erot = 2.59024149702735 | epot = -20.7601756973169 | etot = -16.1085409461448 -116000 ekin = 2.00592136714115 | erot = 2.63732939337337 | epot = -20.6295174385162 | etot = -15.9862666780017 -117000 ekin = 2.00329160062531 | erot = 2.56870813228611 | epot = -20.5296446810243 | etot = -15.9576449481129 -118000 ekin = 2.0174280975583 | erot = 2.46944506284098 | epot = -20.4506063861926 | etot = -15.9637332257933 -119000 ekin = 1.98594704489191 | erot = 2.26746616716464 | epot = -20.4288828122731 | etot = -16.1754696002165 -120000 ekin = 1.94483011509478 | erot = 2.33696205000853 | epot = -20.442383394879 | etot = -16.1605912297756 -121000 ekin = 2.12792735290882 | erot = 2.36924962566049 | epot = -20.4991944142893 | etot = -16.00201743572 -122000 ekin = 2.10495427089355 | erot = 2.48776527931776 | epot = -20.574325415596 | etot = -15.9816058653847 -123000 ekin = 2.17541547749012 | erot = 2.84180455684321 | epot = -20.6672573168908 | etot = -15.6500372825575 -124000 ekin = 2.19585323570719 | erot = 2.81219539890926 | epot = -20.7617372386161 | etot = -15.7536886039996 -125000 ekin = 2.23956101001686 | erot = 2.84608901602504 | epot = -20.8364418009793 | etot = -15.7507917749374 -126000 ekin = 2.29874303635747 | erot = 3.12890547205359 | epot = -20.8639002292415 | etot = -15.4362517208305 -127000 ekin = 2.34552442074478 | erot = 2.96762996381649 | epot = -20.8482814122638 | etot = -15.5351270277026 -128000 ekin = 2.38042396339133 | erot = 2.39829809100068 | epot = -20.7821422786062 | etot = -16.0034202242142 -129000 ekin = 2.38818705381732 | erot = 2.14510497375872 | epot = -20.708044378118 | etot = -16.174752350542 -130000 ekin = 2.27293411796489 | erot = 2.06717107329867 | epot = -20.680722380144 | etot = -16.3406171888804 -131000 ekin = 2.28550173826512 | erot = 1.94055567970255 | epot = -20.6369898880998 | etot = -16.4109324701321 -132000 ekin = 2.26691955879914 | erot = 1.71853531657476 | epot = -20.577540507524 | etot = -16.5920856321501 -133000 ekin = 2.29137866879739 | erot = 1.62868472043517 | epot = -20.5420933212006 | etot = -16.622029931968 -134000 ekin = 2.25290206497431 | erot = 1.68278061233814 | epot = -20.5183097363761 | etot = -16.5826270590636 -135000 ekin = 2.14285941072835 | erot = 1.86118396103706 | epot = -20.5054969500188 | etot = -16.5014535782534 -136000 ekin = 2.12990199371918 | erot = 2.04359124600871 | epot = -20.5201047968038 | etot = -16.3466115570759 -137000 ekin = 2.07754853855295 | erot = 1.83088096227378 | epot = -20.5722472452261 | etot = -16.6638177443993 -138000 ekin = 2.15013934154965 | erot = 2.00941220949273 | epot = -20.667779560491 | etot = -16.5082280094487 -139000 ekin = 2.20517582266463 | erot = 1.94652682269834 | epot = -20.7931525252622 | etot = -16.6414498798992 -140000 ekin = 2.33731236767234 | erot = 1.96166026745082 | epot = -20.9310868774548 | etot = -16.6321142423316 -141000 ekin = 2.24448516285964 | erot = 2.27879036592832 | epot = -21.0648426319454 | etot = -16.5415671031575 -142000 ekin = 2.1931532375379 | erot = 2.32670116857754 | epot = -21.187774798334 | etot = -16.6679203922185 -143000 ekin = 2.151548283963 | erot = 2.38826183428083 | epot = -21.3137287268919 | etot = -16.7739186086481 -144000 ekin = 2.10225107667088 | erot = 2.40324709726068 | epot = -21.4354683955924 | etot = -16.9299702216609 -145000 ekin = 2.06221666396487 | erot = 2.32981540966414 | epot = -21.5580653796756 | etot = -17.1660333060466 -146000 ekin = 2.15268481715545 | erot = 2.24715096803345 | epot = -21.6452484907074 | etot = -17.2454127055185 -147000 ekin = 2.13045113501517 | erot = 2.24956262085626 | epot = -21.724100810277 | etot = -17.3440870544056 -148000 ekin = 2.14237927540729 | erot = 2.32388813542663 | epot = -21.8239853334792 | etot = -17.3577179226453 -149000 ekin = 2.13016451804401 | erot = 2.31003298264327 | epot = -21.9413859720018 | etot = -17.5011884713145 -150000 ekin = 2.1118941592917 | erot = 2.27040882248859 | epot = -22.0736176258281 | etot = -17.6913146440478 -151000 ekin = 2.08490791036346 | erot = 2.53796433942571 | epot = -22.1831326518407 | etot = -17.5602604020515 -152000 ekin = 2.05056796581086 | erot = 2.74378211496597 | epot = -22.2707370073162 | etot = -17.4763869265394 -153000 ekin = 2.01058950481926 | erot = 2.62970741316349 | epot = -22.3376436760766 | etot = -17.6973467580939 -154000 ekin = 2.01943769577487 | erot = 2.39009828792415 | epot = -22.4001638198039 | etot = -17.9906278361049 -155000 ekin = 2.05430763784564 | erot = 2.40978970203131 | epot = -22.4403746514595 | etot = -17.9762773115826 -156000 ekin = 2.10246203476605 | erot = 2.3162862509107 | epot = -22.3947496278242 | etot = -17.9760013421475 -157000 ekin = 2.20121785931622 | erot = 2.26047844907516 | epot = -22.3626746382073 | etot = -17.900978329816 -158000 ekin = 2.16806247020174 | erot = 2.01859116115299 | epot = -22.3794788142255 | etot = -18.1928251828708 -159000 ekin = 2.20647608921295 | erot = 2.03708981782408 | epot = -22.393340456396 | etot = -18.149774549359 -160000 ekin = 2.28482979303694 | erot = 2.06672295727712 | epot = -22.392971509361 | etot = -18.041418759047 -161000 ekin = 2.35408441526349 | erot = 2.11425691782657 | epot = -22.3845712470919 | etot = -17.9162299140018 -162000 ekin = 2.44383531112342 | erot = 2.051421726327 | epot = -22.3873594705055 | etot = -17.8921024330551 -163000 ekin = 2.38397054654208 | erot = 2.18088509829525 | epot = -22.4046928902402 | etot = -17.8398372454029 -164000 ekin = 2.36323785475495 | erot = 2.24099333696013 | epot = -22.4304254420051 | etot = -17.82619425029 -165000 ekin = 2.42861068657701 | erot = 2.32334175306822 | epot = -22.4693846686275 | etot = -17.7174322289823 -166000 ekin = 2.49646527013099 | erot = 2.76008268343011 | epot = -22.5024150074813 | etot = -17.2458670539202 -167000 ekin = 2.39742733231154 | erot = 2.66606455445541 | epot = -22.5059226951214 | etot = -17.4424308083544 -168000 ekin = 2.48222864422377 | erot = 2.12985047091143 | epot = -22.4839259607868 | etot = -17.8718468456516 -169000 ekin = 2.34389140284719 | erot = 2.23877784986582 | epot = -22.4355001459226 | etot = -17.8528308932096 -170000 ekin = 2.27819176115938 | erot = 2.38937348011876 | epot = -22.3963232925857 | etot = -17.7287580513075 -171000 ekin = 2.26183375697858 | erot = 2.6630881316761 | epot = -22.3493672389157 | etot = -17.424445350261 -172000 ekin = 2.27023963981113 | erot = 2.54732213285255 | epot = -22.2868682454192 | etot = -17.4693064727556 -173000 ekin = 2.19713801069004 | erot = 2.39492663110738 | epot = -22.206730666232 | etot = -17.6146660244346 -174000 ekin = 2.08128149693209 | erot = 2.65361881164586 | epot = -22.1239183165146 | etot = -17.3890180079366 -175000 ekin = 2.03179136441175 | erot = 2.6576915931798 | epot = -22.0831649919729 | etot = -17.3936820343813 -176000 ekin = 1.92235220335479 | erot = 2.46758244642911 | epot = -22.0704760764067 | etot = -17.6805414266228 -177000 ekin = 1.8767629533276 | erot = 2.76485058121241 | epot = -22.0943278887433 | etot = -17.4527143542032 -178000 ekin = 1.8196851112205 | erot = 3.06889049439786 | epot = -22.1713258315083 | etot = -17.28275022589 -179000 ekin = 1.83239453530745 | erot = 2.97256669493261 | epot = -22.3031073057822 | etot = -17.4981460755421 -180000 ekin = 1.78621083222566 | erot = 3.29401414659415 | epot = -22.470138760406 | etot = -17.3899137815862 -181000 ekin = 1.8851818529848 | erot = 3.13321574647615 | epot = -22.6327591209892 | etot = -17.6143615215283 -182000 ekin = 1.91900100882708 | erot = 2.86862183641649 | epot = -22.7815951170131 | etot = -17.9939722717695 -183000 ekin = 2.05132570727861 | erot = 3.08267197262641 | epot = -22.909220686437 | etot = -17.7752230065319 -184000 ekin = 2.06184088528539 | erot = 3.2007444069867 | epot = -23.0268740612164 | etot = -17.7642887689443 -185000 ekin = 2.09012289683705 | erot = 3.47009431072624 | epot = -23.1337090395161 | etot = -17.5734918319528 -186000 ekin = 2.23866301207462 | erot = 3.60859469886155 | epot = -23.1738137395751 | etot = -17.3265560286389 -187000 ekin = 2.42181473602224 | erot = 3.85086245359563 | epot = -23.1972395336004 | etot = -16.9245623439825 -188000 ekin = 2.41473791720882 | erot = 4.13943673363265 | epot = -23.313660149446 | etot = -16.7594854986045 -189000 ekin = 2.40456237424793 | erot = 4.00070701501225 | epot = -23.3710796524504 | etot = -16.9658102631902 -190000 ekin = 2.3927506641681 | erot = 3.65894410977791 | epot = -23.3540165218533 | etot = -17.3023217479073 -191000 ekin = 2.40766626916779 | erot = 4.27535474629197 | epot = -23.2939306874288 | etot = -16.610909671969 -192000 ekin = 2.38476057345244 | erot = 4.12521169410209 | epot = -23.1922092725541 | etot = -16.6822370049996 -193000 ekin = 2.26302104637807 | erot = 3.7779402618447 | epot = -23.0633113366603 | etot = -17.0223500284375 -194000 ekin = 2.10155057993347 | erot = 3.4992268119145 | epot = -22.9254751366501 | etot = -17.3246977448021 -195000 ekin = 2.03962481718054 | erot = 3.25259602899594 | epot = -22.769807353731 | etot = -17.4775865075545 -196000 ekin = 2.06049369787786 | erot = 2.84778946059528 | epot = -22.5997694102263 | etot = -17.6914862517532 -197000 ekin = 2.03160567713305 | erot = 2.37370828456973 | epot = -22.4368418077991 | etot = -18.0315278460963 -198000 ekin = 2.08676704026153 | erot = 2.19482531442788 | epot = -22.2622823748209 | etot = -17.9806900201315 -199000 ekin = 2.05269408710182 | erot = 2.16400413646367 | epot = -22.1035002649819 | etot = -17.8868020414165 -200000 ekin = 2.01411832170936 | erot = 2.38698541496883 | epot = -21.9546297375271 | etot = -17.5535260008489 -201000 ekin = 2.01209192808734 | erot = 2.38205260132373 | epot = -21.839087918056 | etot = -17.444943388645 -202000 ekin = 1.90781796628413 | erot = 2.36530018659051 | epot = -21.7246902929986 | etot = -17.4515721401239 -203000 ekin = 1.80024846565389 | erot = 2.34259351313096 | epot = -21.615977482744 | etot = -17.4731355039592 -204000 ekin = 1.68484818472322 | erot = 2.41487740212502 | epot = -21.5446736069975 | etot = -17.4449480201493 -205000 ekin = 1.6279281345828 | erot = 2.51982872964271 | epot = -21.5011323457791 | etot = -17.3533754815536 -206000 ekin = 1.55411064978348 | erot = 2.69683235574055 | epot = -21.4677288967242 | etot = -17.2167858912001 -207000 ekin = 1.51044177325198 | erot = 2.86067615909017 | epot = -21.4416223674891 | etot = -17.0705044351469 -208000 ekin = 1.46178623775162 | erot = 3.09687215817313 | epot = -21.3952301582476 | etot = -16.8365717623228 -209000 ekin = 1.49930719102405 | erot = 2.64986686100816 | epot = -21.3194384463854 | etot = -17.1702643943532 -210000 ekin = 1.48596643994187 | erot = 2.49507203528868 | epot = -21.2123168093858 | etot = -17.2312783341552 -211000 ekin = 1.51700235708605 | erot = 2.85982490581494 | epot = -21.0854390229479 | etot = -16.7086117600469 -212000 ekin = 1.47699871968623 | erot = 2.51260914037785 | epot = -20.9565961085739 | etot = -16.9669882485098 -213000 ekin = 1.58916579351334 | erot = 2.61661121884075 | epot = -20.8229216474679 | etot = -16.6171446351139 -214000 ekin = 1.62272322843393 | erot = 2.42273280311444 | epot = -20.7122766474859 | etot = -16.6668206159375 -215000 ekin = 1.66159030501777 | erot = 2.39943071607579 | epot = -20.6287014799337 | etot = -16.5676804588402 -216000 ekin = 1.74578478011215 | erot = 2.33284367785392 | epot = -20.5774611193674 | etot = -16.4988326614014 -217000 ekin = 1.86008672447786 | erot = 2.48365359198228 | epot = -20.5783803604762 | etot = -16.2346400440161 -218000 ekin = 1.88693206179544 | erot = 2.61817641260771 | epot = -20.6245681941586 | etot = -16.1194597197555 -219000 ekin = 1.9954584685533 | erot = 2.51280586705981 | epot = -20.672275526231 | etot = -16.1640111906179 -220000 ekin = 2.07891649227218 | erot = 2.43958393551872 | epot = -20.7460641755868 | etot = -16.2275637477959 -221000 ekin = 2.07405609075925 | erot = 2.36260767845184 | epot = -20.8472863845651 | etot = -16.410622615354 -222000 ekin = 2.10307745764232 | erot = 2.54950611704614 | epot = -20.9726401140739 | etot = -16.3200565393854 -223000 ekin = 2.029905607029 | erot = 2.36445779587677 | epot = -21.0835627182511 | etot = -16.6891993153454 -224000 ekin = 2.16888148730472 | erot = 2.48643165117694 | epot = -21.1978785829812 | etot = -16.5425654444995 -225000 ekin = 2.30521694661694 | erot = 2.40413284955319 | epot = -21.3143167094642 | etot = -16.6049669132941 -226000 ekin = 2.42660104949029 | erot = 2.10961133192969 | epot = -21.4003288303496 | etot = -16.8641164489296 -227000 ekin = 2.51989265457943 | erot = 2.19538124871698 | epot = -21.4710250786467 | etot = -16.7557511753503 -228000 ekin = 2.68551344341426 | erot = 2.30229521160067 | epot = -21.5296149017981 | etot = -16.5418062467832 -229000 ekin = 2.59976522820206 | erot = 2.51681087235227 | epot = -21.5666762700905 | etot = -16.4501001695361 -230000 ekin = 2.5850335929182 | erot = 2.17214995252271 | epot = -21.5872332974482 | etot = -16.8300497520073 -231000 ekin = 2.62353866357519 | erot = 2.17431567394796 | epot = -21.5820516856057 | etot = -16.7841973480826 -232000 ekin = 2.59120478967399 | erot = 2.34006912797248 | epot = -21.567210238379 | etot = -16.6359363207325 -233000 ekin = 2.51791287332682 | erot = 2.16488342987888 | epot = -21.5519147308628 | etot = -16.8691184276571 -234000 ekin = 2.48481380355974 | erot = 2.21816982784481 | epot = -21.5223665657165 | etot = -16.819382934312 -235000 ekin = 2.41086403910145 | erot = 2.10316509959354 | epot = -21.4789613614541 | etot = -16.9649322227591 -236000 ekin = 2.40928284749433 | erot = 1.88888489131681 | epot = -21.4361120637083 | etot = -17.1379443248971 -237000 ekin = 2.56301564001043 | erot = 1.7367156365967 | epot = -21.4280913003545 | etot = -17.1283600237474 -238000 ekin = 2.55765653830743 | erot = 1.90914079819508 | epot = -21.4255674324867 | etot = -16.9587700959842 -239000 ekin = 2.62181377631197 | erot = 2.06765286499137 | epot = -21.4529783008628 | etot = -16.7635116595594 -240000 ekin = 2.64076354676094 | erot = 2.31865643186807 | epot = -21.5224999667005 | etot = -16.5630799880715 -241000 ekin = 2.67609348690617 | erot = 2.52623661982354 | epot = -21.6079626104587 | etot = -16.405632503729 -242000 ekin = 2.63558109361467 | erot = 2.91329495494509 | epot = -21.6817125780998 | etot = -16.1328365295401 -243000 ekin = 2.76874739439914 | erot = 3.19547631893849 | epot = -21.72991854209 | etot = -15.7656948287524 -244000 ekin = 2.76082392607157 | erot = 2.9973885554399 | epot = -21.76547993096 | etot = -16.0072674494486 -245000 ekin = 2.84856552527554 | erot = 3.5561039977299 | epot = -21.7868813066433 | etot = -15.3822117836378 -246000 ekin = 2.74592112218097 | erot = 3.46897250198803 | epot = -21.7812302083596 | etot = -15.5663365841906 -247000 ekin = 2.62843885877447 | erot = 3.3915912792894 | epot = -21.7507462517775 | etot = -15.7307161137136 -248000 ekin = 2.6265799023713 | erot = 2.96254281821237 | epot = -21.6850863371033 | etot = -16.0959636165196 -249000 ekin = 2.64689987490188 | erot = 2.46750058971822 | epot = -21.6214034121611 | etot = -16.507002947541 -250000 ekin = 2.59258413901056 | erot = 1.95894591185221 | epot = -21.5523796219694 | etot = -17.0008495711067 -251000 ekin = 2.50508525922248 | erot = 1.94700044531511 | epot = -21.485640639306 | etot = -17.0335549347684 -252000 ekin = 2.362061411861 | erot = 2.03422118114505 | epot = -21.4223545940681 | etot = -17.0260720010621 -253000 ekin = 2.309350605284 | erot = 1.94736645762202 | epot = -21.3716222045374 | etot = -17.1149051416314 -254000 ekin = 2.2527459693501 | erot = 1.98706179687154 | epot = -21.3578828633465 | etot = -17.1180750971248 -255000 ekin = 2.24877704371088 | erot = 1.94793350141006 | epot = -21.3679438916479 | etot = -17.171233346527 -256000 ekin = 2.15038460246957 | erot = 2.1353664164586 | epot = -21.3873823966765 | etot = -17.1016313777483 -257000 ekin = 2.14820686493293 | erot = 1.95792063838272 | epot = -21.4016298030359 | etot = -17.2955022997202 -258000 ekin = 2.21551042205357 | erot = 2.08286212737995 | epot = -21.4265487793698 | etot = -17.1281762299363 -259000 ekin = 2.06173733154792 | erot = 1.93722502209168 | epot = -21.4284901665386 | etot = -17.429527812899 -260000 ekin = 1.95779184392074 | erot = 2.10071945094421 | epot = -21.4431554356543 | etot = -17.3846441407893 -261000 ekin = 1.89111873040642 | erot = 2.27491420373984 | epot = -21.4742539366704 | etot = -17.3082210025241 -262000 ekin = 1.81155628887094 | erot = 2.76845022524668 | epot = -21.5133565631458 | etot = -16.9333500490282 -263000 ekin = 1.78548461411774 | erot = 2.58995272844158 | epot = -21.5741933378567 | etot = -17.1987559952974 -264000 ekin = 1.70470903910482 | erot = 2.52740722130143 | epot = -21.6543975630333 | etot = -17.422281302627 -265000 ekin = 1.70456921180774 | erot = 2.91128169616601 | epot = -21.7314640373146 | etot = -17.1156131293409 -266000 ekin = 1.70108763348245 | erot = 3.15353043902165 | epot = -21.8059636436342 | etot = -16.9513455711301 -267000 ekin = 1.68792919988863 | erot = 2.90455900057175 | epot = -21.870732648304 | etot = -17.2782444478436 -268000 ekin = 1.72057453763242 | erot = 2.62604659087867 | epot = -21.9225381178383 | etot = -17.5759169893272 -269000 ekin = 1.78712640141424 | erot = 2.75599254857463 | epot = -21.9527991628362 | etot = -17.4096802128474 -270000 ekin = 1.72857790804084 | erot = 2.80083154386433 | epot = -21.9488059520795 | etot = -17.4193965001743 -271000 ekin = 1.64099428775304 | erot = 2.64687538276786 | epot = -21.9170243489263 | etot = -17.6291546784054 -272000 ekin = 1.58570258321571 | erot = 2.46968320121808 | epot = -21.8446210346508 | etot = -17.789235250217 -273000 ekin = 1.63767201216319 | erot = 2.19946786706664 | epot = -21.7638929876942 | etot = -17.9267531084643 -274000 ekin = 1.59847478128875 | erot = 2.30908990938638 | epot = -21.668243139743 | etot = -17.7606784490679 -275000 ekin = 1.48392569489385 | erot = 2.19949617068972 | epot = -21.5548162861332 | etot = -17.8713944205497 -276000 ekin = 1.39307584924635 | erot = 2.23039538438481 | epot = -21.4256702629286 | etot = -17.8021990292974 -277000 ekin = 1.32228191847669 | erot = 2.13983606829658 | epot = -21.3067538507252 | etot = -17.844635863952 -278000 ekin = 1.28711477346599 | erot = 2.14456329557357 | epot = -21.224078274628 | etot = -17.7924002055884 -279000 ekin = 1.28936005013437 | erot = 2.38491555516954 | epot = -21.173548547693 | etot = -17.4992729423891 -280000 ekin = 1.21003074239703 | erot = 2.42890760862482 | epot = -21.1457609661738 | etot = -17.5068226151519 -281000 ekin = 1.29885744861028 | erot = 2.42325573855922 | epot = -21.1507776171849 | etot = -17.4286644300154 -282000 ekin = 1.25436778972245 | erot = 2.81925761990964 | epot = -21.1898482264 | etot = -17.1162228167679 -283000 ekin = 1.21194774091223 | erot = 2.81987884081118 | epot = -21.2915251292642 | etot = -17.2596985475408 -284000 ekin = 1.18679083068176 | erot = 2.85260842120876 | epot = -21.4111056079338 | etot = -17.3717063560432 -285000 ekin = 1.15631267773667 | erot = 2.90112491489683 | epot = -21.5215297070962 | etot = -17.4640921144627 -286000 ekin = 1.1927926822259 | erot = 2.85809873900105 | epot = -21.6217291121405 | etot = -17.5708376909136 -287000 ekin = 1.26041360220417 | erot = 2.73020556183275 | epot = -21.6926219129291 | etot = -17.7020027488922 -288000 ekin = 1.28925684516283 | erot = 2.41344019790321 | epot = -21.7395791395394 | etot = -18.0368820964733 -289000 ekin = 1.32958093505212 | erot = 2.2719700407486 | epot = -21.7753244471437 | etot = -18.173773471343 -290000 ekin = 1.40642675848334 | erot = 1.95570600704145 | epot = -21.8122371335501 | etot = -18.4501043680253 -291000 ekin = 1.43917988615079 | erot = 1.90335102621715 | epot = -21.8672634472312 | etot = -18.5247325348633 -292000 ekin = 1.45457728536612 | erot = 1.91918018244104 | epot = -21.9211778027209 | etot = -18.5474203349137 -293000 ekin = 1.54025708206043 | erot = 1.76739883625603 | epot = -21.9892221465386 | etot = -18.6815662282221 -294000 ekin = 1.63446508682299 | erot = 1.86338835798862 | epot = -22.0608666741349 | etot = -18.5630132293233 -295000 ekin = 1.81613674682346 | erot = 1.9028469472332 | epot = -22.1395305108088 | etot = -18.4205468167521 -296000 ekin = 1.90988071285018 | erot = 2.10518814801487 | epot = -22.2099314509302 | etot = -18.1948625900651 -297000 ekin = 1.95608798955045 | erot = 2.52702443883807 | epot = -22.2985651779531 | etot = -17.8154527495646 -298000 ekin = 2.05852737833142 | erot = 2.38905675468749 | epot = -22.3766545803973 | etot = -17.9290704473783 -299000 ekin = 2.1864411137905 | erot = 2.43787113082697 | epot = -22.4274426042905 | etot = -17.8031303596731 -300000 ekin = 2.25246210387436 | erot = 2.26714642530523 | epot = -22.4460120088431 | etot = -17.9264034796635 -301000 ekin = 2.35563337457493 | erot = 1.81807021650493 | epot = -22.4572545711889 | etot = -18.2835509801091 -302000 ekin = 2.42168935052576 | erot = 2.12272372548235 | epot = -22.4773288548022 | etot = -17.9329157787941 -303000 ekin = 2.48491149619623 | erot = 1.80440720027866 | epot = -22.49978709942 | etot = -18.2104684029451 -304000 ekin = 2.57055300825417 | erot = 1.71612576378991 | epot = -22.5136290909673 | etot = -18.2269503189232 -305000 ekin = 2.60127252345969 | erot = 1.60228999221232 | epot = -22.5079813416075 | etot = -18.3044188259355 -306000 ekin = 2.65871790294493 | erot = 1.61152940110746 | epot = -22.4881104545321 | etot = -18.2178631504797 -307000 ekin = 2.67302778478971 | erot = 1.88303236420289 | epot = -22.4558851508275 | etot = -17.8998250018349 -308000 ekin = 2.66315429067354 | erot = 2.10086190187488 | epot = -22.4194774636684 | etot = -17.65546127112 -309000 ekin = 2.62361235711079 | erot = 2.06716291649094 | epot = -22.3854389472788 | etot = -17.694663673677 -310000 ekin = 2.65346557302746 | erot = 2.43388315560348 | epot = -22.3516578015447 | etot = -17.2643090729137 -311000 ekin = 2.62717610811387 | erot = 2.36697019339671 | epot = -22.3173746471545 | etot = -17.323228345644 -312000 ekin = 2.76485058199136 | erot = 2.29893166031318 | epot = -22.3073398967791 | etot = -17.2435576544746 -313000 ekin = 2.91401216196337 | erot = 2.42859802814641 | epot = -22.2874024124532 | etot = -16.9447922223434 -314000 ekin = 2.91385799167544 | erot = 1.91396248977988 | epot = -22.2694749773675 | etot = -17.4416544959122 -315000 ekin = 2.93036873457095 | erot = 1.99716548782002 | epot = -22.2742890679512 | etot = -17.3467548455602 -316000 ekin = 3.03268788685611 | erot = 1.92510083916592 | epot = -22.2577485073753 | etot = -17.2999597813533 -317000 ekin = 3.0878759484766 | erot = 1.92578200831355 | epot = -22.2266829567097 | etot = -17.2130249999196 -318000 ekin = 3.13577891188647 | erot = 1.80317853500181 | epot = -22.1919523893646 | etot = -17.2529949424764 -319000 ekin = 3.20520648794502 | erot = 1.70269113516979 | epot = -22.1746193500525 | etot = -17.2667217269377 -320000 ekin = 3.29702074479474 | erot = 1.5315778223532 | epot = -22.1625795722847 | etot = -17.3339810051367 -321000 ekin = 3.3450444842282 | erot = 1.62378232552177 | epot = -22.1868841736045 | etot = -17.2180573638545 -322000 ekin = 3.38460168822981 | erot = 1.76562508880759 | epot = -22.2499937572736 | etot = -17.0997669802362 -323000 ekin = 3.30048690012861 | erot = 1.78922162860215 | epot = -22.3245621231124 | etot = -17.2348535943816 -324000 ekin = 3.21996003388857 | erot = 2.07375779111671 | epot = -22.4074947135766 | etot = -17.1137768885713 -325000 ekin = 3.1932006584649 | erot = 2.34417123194124 | epot = -22.489592505192 | etot = -16.9522206147858 -326000 ekin = 3.13574523293136 | erot = 2.35602865246346 | epot = -22.5449076606476 | etot = -17.0531337752528 -327000 ekin = 3.06250064041744 | erot = 2.56089976464128 | epot = -22.5763641985364 | etot = -16.9529637934777 -328000 ekin = 2.98028960475491 | erot = 2.43252122765914 | epot = -22.5713698367082 | etot = -17.1585590042941 -329000 ekin = 3.00073413437889 | erot = 2.54697247273636 | epot = -22.5115486252432 | etot = -16.963842018128 -330000 ekin = 2.95148018624182 | erot = 2.24389127882677 | epot = -22.4149230401769 | etot = -17.2195515751083 -331000 ekin = 2.81139520816004 | erot = 2.33469163507243 | epot = -22.302381597186 | etot = -17.1562947539535 -332000 ekin = 2.70201927753231 | erot = 2.23446425932906 | epot = -22.1825698377621 | etot = -17.2460863009007 -333000 ekin = 2.67216560815672 | erot = 2.33828838842037 | epot = -22.1081794049503 | etot = -17.0977254083733 -334000 ekin = 2.63564129688352 | erot = 2.3844516220081 | epot = -22.0521006108914 | etot = -17.0320076919998 -335000 ekin = 2.49363748710296 | erot = 2.39927202409598 | epot = -21.999755390881 | etot = -17.1068458796821 -336000 ekin = 2.32703156354336 | erot = 2.49661552302095 | epot = -21.9570264750564 | etot = -17.1333793884921 -337000 ekin = 2.40437911185033 | erot = 2.34787944862516 | epot = -21.9196555873364 | etot = -17.167397026861 -338000 ekin = 2.41476505798858 | erot = 2.13162500253263 | epot = -21.8968278484035 | etot = -17.3504377878823 -339000 ekin = 2.43793058775621 | erot = 2.41901135922114 | epot = -21.903625267802 | etot = -17.0466833208247 -340000 ekin = 2.49068476405757 | erot = 2.44754202713574 | epot = -21.9103500540911 | etot = -16.9721232628978 -341000 ekin = 2.50472420190464 | erot = 2.67064038857613 | epot = -21.9332795205211 | etot = -16.7579149300404 -342000 ekin = 2.56647086804824 | erot = 2.61525528001605 | epot = -21.9674734299045 | etot = -16.7857472818402 -343000 ekin = 2.51904673868565 | erot = 2.55676588472587 | epot = -21.9948706708333 | etot = -16.9190580474217 -344000 ekin = 2.60508290174675 | erot = 2.48137560215985 | epot = -21.9825601130743 | etot = -16.8961016091677 -345000 ekin = 2.63784673980717 | erot = 2.00206586549288 | epot = -21.9580088648429 | etot = -17.3180962595428 -346000 ekin = 2.62397891911575 | erot = 2.06342882396961 | epot = -21.9497310194665 | etot = -17.2623232763812 -347000 ekin = 2.65803154655934 | erot = 2.1732091469081 | epot = -21.9288714180669 | etot = -17.0976307245995 -348000 ekin = 2.61080877072561 | erot = 2.24900638089749 | epot = -21.9064648355581 | etot = -17.046649683935 -349000 ekin = 2.56285615073655 | erot = 2.19373993711379 | epot = -21.9340203469075 | etot = -17.1774242590572 -350000 ekin = 2.52909341929274 | erot = 2.40459665484317 | epot = -21.9698973375558 | etot = -17.0362072634199 -351000 ekin = 2.49713504985993 | erot = 2.44402722640777 | epot = -22.0050349016586 | etot = -17.0638726253909 -352000 ekin = 2.4400081511828 | erot = 2.31901759386439 | epot = -22.0353401663223 | etot = -17.2763144212751 -353000 ekin = 2.43137304156583 | erot = 2.58293559904024 | epot = -22.0473314992667 | etot = -17.0330228586606 -354000 ekin = 2.42872461457131 | erot = 2.20097693718207 | epot = -22.0593257242364 | etot = -17.429624172483 -355000 ekin = 2.33110822210744 | erot = 2.4206307096628 | epot = -22.0716103668382 | etot = -17.3198714350679 -356000 ekin = 2.3039890517443 | erot = 2.62795866448668 | epot = -22.0804347592131 | etot = -17.1484870429821 -357000 ekin = 2.31942397069004 | erot = 2.59655320443807 | epot = -22.0821788434023 | etot = -17.1662016682742 -358000 ekin = 2.31430837414611 | erot = 2.83712652813159 | epot = -22.072502185868 | etot = -16.9210672835903 -359000 ekin = 2.31455342359158 | erot = 2.75771738371944 | epot = -22.0399086183635 | etot = -16.9676378110525 -360000 ekin = 2.33176210518086 | erot = 2.71178887834458 | epot = -22.0076297483562 | etot = -16.9640787648308 -361000 ekin = 2.27214122387383 | erot = 2.81145339858132 | epot = -21.9599421657393 | etot = -16.8763475432841 -362000 ekin = 2.29940723820851 | erot = 2.47979741361589 | epot = -21.9089639290965 | etot = -17.1297592772721 -363000 ekin = 2.53443578574928 | erot = 2.53169478867016 | epot = -21.8243312678077 | etot = -16.7582006933883 -364000 ekin = 2.62218089033857 | erot = 2.40320793892339 | epot = -21.7324712534029 | etot = -16.7070824241409 -365000 ekin = 2.7675580876352 | erot = 1.89475409755416 | epot = -21.6405111096152 | etot = -16.9781989244259 -366000 ekin = 2.83684484493777 | erot = 1.57102850121852 | epot = -21.5686856667024 | etot = -17.1608123205461 -367000 ekin = 2.93599158208377 | erot = 1.35687050095051 | epot = -21.4921061985772 | etot = -17.199244115543 -368000 ekin = 3.10052552420318 | erot = 1.34392548947238 | epot = -21.4550475057325 | etot = -17.0105964920569 -369000 ekin = 3.32282273578325 | erot = 1.444496693381 | epot = -21.469634605235 | etot = -16.7023151760708 -370000 ekin = 3.32440357214629 | erot = 1.32498034754162 | epot = -21.5235244672076 | etot = -16.8741405475197 -371000 ekin = 3.19604825174787 | erot = 1.32912305315194 | epot = -21.6063167417295 | etot = -17.0811454368297 -372000 ekin = 3.24806725016557 | erot = 1.57623327064951 | epot = -21.7023719429117 | etot = -16.8780714220966 -373000 ekin = 3.19541088772615 | erot = 1.59021472687934 | epot = -21.8029802274107 | etot = -17.0173546128052 -374000 ekin = 3.26135365290669 | erot = 1.85216595682046 | epot = -21.8950570456544 | etot = -16.7815374359273 -375000 ekin = 3.29383454867966 | erot = 2.06907009365906 | epot = -21.9845454700943 | etot = -16.6216408277556 -376000 ekin = 3.20015592859739 | erot = 2.07351416601095 | epot = -22.0952882395876 | etot = -16.8216181449793 -377000 ekin = 3.09004850922738 | erot = 2.18294615546873 | epot = -22.1887281106778 | etot = -16.9157334459817 -378000 ekin = 3.05043348195281 | erot = 2.51583225096577 | epot = -22.263666143955 | etot = -16.6974004110364 -379000 ekin = 3.10166908828999 | erot = 2.66676931647561 | epot = -22.3392187414395 | etot = -16.5707803366739 -380000 ekin = 3.11503780326003 | erot = 2.6084093126981 | epot = -22.3678930086929 | etot = -16.6444458927347 -381000 ekin = 3.11901255865583 | erot = 2.5131674520525 | epot = -22.3595089455393 | etot = -16.727328934831 -382000 ekin = 3.08198965968261 | erot = 2.54216489271882 | epot = -22.3171355116317 | etot = -16.6929809592303 -383000 ekin = 3.08529312773617 | erot = 2.60747953716485 | epot = -22.268125758685 | etot = -16.575353093784 -384000 ekin = 3.06435455473092 | erot = 2.59008305218086 | epot = -22.2008329018472 | etot = -16.5463952949354 -385000 ekin = 2.96902524929809 | erot = 2.39487400705568 | epot = -22.1308203226012 | etot = -16.7669210662474 -386000 ekin = 2.94398257253719 | erot = 2.3562498967375 | epot = -22.0974491806139 | etot = -16.7972167113393 -387000 ekin = 2.90022143016866 | erot = 2.26095116124118 | epot = -22.0819030869075 | etot = -16.9207304954977 -388000 ekin = 2.81389126988738 | erot = 2.13357533996891 | epot = -22.1104886391662 | etot = -17.1630220293099 -389000 ekin = 2.86348776127269 | erot = 2.05672668796337 | epot = -22.1951193908387 | etot = -17.2749049416026 -390000 ekin = 2.77165535979985 | erot = 2.1536573950014 | epot = -22.3132389416923 | etot = -17.387926186891 -391000 ekin = 2.77370479657934 | erot = 2.43647051356027 | epot = -22.4565212308196 | etot = -17.24634592068 -392000 ekin = 2.76583278927001 | erot = 2.40676865464339 | epot = -22.5818573009823 | etot = -17.4092558570689 -393000 ekin = 2.8090002415766 | erot = 2.37169277236098 | epot = -22.708659499688 | etot = -17.5279664857504 -394000 ekin = 2.87248081177523 | erot = 2.11617756482167 | epot = -22.8170775591549 | etot = -17.828419182558 -395000 ekin = 2.88095223032719 | erot = 2.05659355426901 | epot = -22.8808764228085 | etot = -17.9433306382123 -396000 ekin = 2.93418192071603 | erot = 2.30478582950589 | epot = -22.9097915865589 | etot = -17.670823836337 -397000 ekin = 2.98163695220519 | erot = 2.08558984982203 | epot = -22.9183417641045 | etot = -17.8511149620773 -398000 ekin = 2.98779262545462 | erot = 2.1519208232311 | epot = -22.9077750506591 | etot = -17.7680616019734 -399000 ekin = 2.91865693266167 | erot = 1.82887135319329 | epot = -22.8818662686362 | etot = -18.1343379827812 -400000 ekin = 2.90983153702377 | erot = 1.84033842076736 | epot = -22.8234620217338 | etot = -18.0732920639427 -401000 ekin = 2.82193337892235 | erot = 1.65785555934519 | epot = -22.7432945990589 | etot = -18.2635056607914 -402000 ekin = 2.71231263059655 | erot = 1.81039261887843 | epot = -22.6593739244624 | etot = -18.1366686749875 -403000 ekin = 2.66036084604549 | erot = 2.02498533176227 | epot = -22.6001656022283 | etot = -17.9148194244206 -404000 ekin = 2.57068790240545 | erot = 1.93095594974698 | epot = -22.5470237392586 | etot = -18.0453798871061 -405000 ekin = 2.56561221793745 | erot = 1.68739793089169 | epot = -22.480605837446 | etot = -18.2275956886169 -406000 ekin = 2.49833625235135 | erot = 1.48188239687435 | epot = -22.4539596863985 | etot = -18.4737410371728 -407000 ekin = 2.49021560270514 | erot = 1.5892860254214 | epot = -22.4700632657781 | etot = -18.3905616376516 -408000 ekin = 2.38021871164262 | erot = 1.73637964468692 | epot = -22.4959988290513 | etot = -18.3794004727218 -409000 ekin = 2.29461436770141 | erot = 1.95814824220571 | epot = -22.5206422995263 | etot = -18.2678796896192 -410000 ekin = 2.25736852989513 | erot = 2.37993089507051 | epot = -22.5486602508663 | etot = -17.9113608259007 -411000 ekin = 2.21596387204285 | erot = 2.74396072623423 | epot = -22.5838815063887 | etot = -17.6239569081116 -412000 ekin = 2.20994969108704 | erot = 2.86593591747017 | epot = -22.6211739699291 | etot = -17.5452883613719 -413000 ekin = 2.24794753023262 | erot = 3.00088801126985 | epot = -22.6476708665275 | etot = -17.3988353250251 -414000 ekin = 2.14160819513185 | erot = 3.01120724411814 | epot = -22.6376025284281 | etot = -17.4847870891781 -415000 ekin = 2.14491177835009 | erot = 2.93215202860195 | epot = -22.5902585718866 | etot = -17.5131947649345 -416000 ekin = 2.10193769123485 | erot = 2.98101624126922 | epot = -22.5118964710199 | etot = -17.4289425385158 -417000 ekin = 2.07066635663256 | erot = 2.60488497680169 | epot = -22.4065047924709 | etot = -17.7309534590366 -418000 ekin = 2.07740574841323 | erot = 2.73315084489166 | epot = -22.2898027885339 | etot = -17.479246195229 -419000 ekin = 1.98085199943436 | erot = 2.44747426745325 | epot = -22.163133683714 | etot = -17.7348074168264 -420000 ekin = 1.95880289350344 | erot = 2.55129347690097 | epot = -22.0482798158306 | etot = -17.5381834454262 -421000 ekin = 1.99828966251063 | erot = 2.20799196393455 | epot = -21.9395525585648 | etot = -17.7332709321197 -422000 ekin = 1.93529999466694 | erot = 2.35358466371906 | epot = -21.8587107341242 | etot = -17.5698260757382 -423000 ekin = 1.84611594143486 | erot = 2.2522856588745 | epot = -21.820655990977 | etot = -17.7222543906677 -424000 ekin = 1.92830552207798 | erot = 1.92697824358688 | epot = -21.7779729704118 | etot = -17.9226892047469 -425000 ekin = 1.87968918412311 | erot = 2.04838530467769 | epot = -21.7345809752812 | etot = -17.8065064864804 -426000 ekin = 1.85564129701465 | erot = 2.1399138178221 | epot = -21.7013928959337 | etot = -17.7058377810969 -427000 ekin = 1.86146118829923 | erot = 2.21385079035759 | epot = -21.6794945474636 | etot = -17.6041825688068 -428000 ekin = 1.93768082509312 | erot = 2.13363270684648 | epot = -21.6773435664083 | etot = -17.6060300344687 -429000 ekin = 1.99945365892741 | erot = 2.19562243163486 | epot = -21.70540364656 | etot = -17.5103275559977 -430000 ekin = 2.09718842591568 | erot = 2.34633202136167 | epot = -21.7371065581004 | etot = -17.2935861108231 -431000 ekin = 2.17999939901923 | erot = 2.30896770966998 | epot = -21.7414717361356 | etot = -17.2525046274464 -432000 ekin = 2.25849803136384 | erot = 2.37380554728488 | epot = -21.7217776472067 | etot = -17.089474068558 -433000 ekin = 2.24429029360173 | erot = 2.44429429006325 | epot = -21.7017276929561 | etot = -17.0131431092911 -434000 ekin = 2.3540638574789 | erot = 2.48920790113105 | epot = -21.7007812192857 | etot = -16.8575094606758 -435000 ekin = 2.2473788015354 | erot = 2.46595163485294 | epot = -21.7063339873007 | etot = -16.9930035509124 -436000 ekin = 2.23230082302271 | erot = 2.42669718967145 | epot = -21.7123927262193 | etot = -17.0533947135251 -437000 ekin = 2.18383665113547 | erot = 2.24664794927375 | epot = -21.7330413026264 | etot = -17.3025567022172 -438000 ekin = 2.12966913497249 | erot = 2.37196465183248 | epot = -21.7485872315853 | etot = -17.2469534447803 -439000 ekin = 2.09098898533785 | erot = 2.12933040903347 | epot = -21.7361412880266 | etot = -17.5158218936553 -440000 ekin = 2.10148571824482 | erot = 2.2779361859281 | epot = -21.7175254276832 | etot = -17.3381035235102 -441000 ekin = 2.1553286798209 | erot = 2.3186564021372 | epot = -21.6981903134064 | etot = -17.2242052314483 -442000 ekin = 2.09243597225384 | erot = 2.72841000678825 | epot = -21.6523738209045 | etot = -16.8315278418624 -443000 ekin = 2.15730367932196 | erot = 2.62581799220048 | epot = -21.5875809663665 | etot = -16.804459294844 -444000 ekin = 2.18263017921498 | erot = 2.37014829408735 | epot = -21.5048241508839 | etot = -16.9520456775816 -445000 ekin = 2.05145531635837 | erot = 2.17678227962612 | epot = -21.4326062625763 | etot = -17.2043686665918 -446000 ekin = 2.01020948431958 | erot = 2.37374422099255 | epot = -21.3645246084935 | etot = -16.9805709031814 -447000 ekin = 1.8958831793316 | erot = 2.45289089837798 | epot = -21.2952162464883 | etot = -16.9464421687787 -448000 ekin = 1.94918640966676 | erot = 2.3970392813938 | epot = -21.2255467455681 | etot = -16.8793210545075 -449000 ekin = 1.91481408982851 | erot = 2.28318705908352 | epot = -21.1543411876567 | etot = -16.9563400387447 -450000 ekin = 1.87784973555275 | erot = 2.12485795516302 | epot = -21.104620635514 | etot = -17.1019129447982 -451000 ekin = 1.97352148815462 | erot = 1.86756984773937 | epot = -21.0797511236576 | etot = -17.2386597877636 -452000 ekin = 2.04286189285661 | erot = 1.80786168372315 | epot = -21.0697245816184 | etot = -17.2190010050387 -453000 ekin = 2.13848606471689 | erot = 1.6737650166203 | epot = -21.0904747395761 | etot = -17.2782236582389 -454000 ekin = 2.1516494519113 | erot = 2.04932890222844 | epot = -21.1143650676536 | etot = -16.9133867135139 -455000 ekin = 2.19477985095264 | erot = 2.16695764653253 | epot = -21.1370563835238 | etot = -16.7753188860386 -456000 ekin = 2.1974026116872 | erot = 2.10215601431902 | epot = -21.1403905144292 | etot = -16.840831888423 -457000 ekin = 2.20601557977666 | erot = 2.13174146927016 | epot = -21.1647757949631 | etot = -16.8270187459163 -458000 ekin = 2.2269349746625 | erot = 2.00297660996798 | epot = -21.2133843445386 | etot = -16.9834727599081 -459000 ekin = 2.4030693526155 | erot = 2.07528469876378 | epot = -21.2759346114694 | etot = -16.7975805600901 -460000 ekin = 2.40922164106722 | erot = 2.23665563054181 | epot = -21.3522817196572 | etot = -16.7064044480482 -461000 ekin = 2.42000759716819 | erot = 2.33121048923255 | epot = -21.4035924354777 | etot = -16.652374349077 -462000 ekin = 2.40697031331577 | erot = 2.14275899197095 | epot = -21.4310008578857 | etot = -16.8812715525989 -463000 ekin = 2.27880926024481 | erot = 1.94507556924339 | epot = -21.4477328212942 | etot = -17.223847991806 -464000 ekin = 2.26372093546455 | erot = 1.71662964564979 | epot = -21.4283876808073 | etot = -17.4480370996929 -465000 ekin = 2.24118575319938 | erot = 1.89668392003695 | epot = -21.4003434057032 | etot = -17.2624737324669 -466000 ekin = 2.31013461832323 | erot = 2.00757055155841 | epot = -21.3608207821978 | etot = -17.0431156123161 -467000 ekin = 2.43396967913942 | erot = 2.21874571911993 | epot = -21.3053258443235 | etot = -16.6526104460642 -468000 ekin = 2.41021440017836 | erot = 1.97479498639507 | epot = -21.233460271117 | etot = -16.8484508845435 -469000 ekin = 2.3157853147123 | erot = 1.99784256139231 | epot = -21.182151702858 | etot = -16.8685238267534 -470000 ekin = 2.20506875315381 | erot = 1.87887773816018 | epot = -21.1430826832857 | etot = -17.0591361919717 -471000 ekin = 2.13628837828122 | erot = 1.99677754816689 | epot = -21.1290504063501 | etot = -16.995984479902 -472000 ekin = 2.10129418295647 | erot = 2.24056612365186 | epot = -21.1431228234936 | etot = -16.8012625168853 -473000 ekin = 2.15627273414965 | erot = 2.19993171978125 | epot = -21.173330041464 | etot = -16.8171255875331 -474000 ekin = 2.14076076010805 | erot = 2.25446359877062 | epot = -21.2210062632869 | etot = -16.8257819044082 -475000 ekin = 2.13812755485174 | erot = 2.40498819642984 | epot = -21.2865391851112 | etot = -16.7434234338296 -476000 ekin = 2.06858808991814 | erot = 2.38860590776926 | epot = -21.3434845601286 | etot = -16.8862905624412 -477000 ekin = 2.0700644049205 | erot = 2.7540657021351 | epot = -21.3922756308482 | etot = -16.5681455237926 -478000 ekin = 2.18444735013637 | erot = 2.70772307923254 | epot = -21.434381599235 | etot = -16.5422111698661 -479000 ekin = 2.19942421685253 | erot = 3.01662715265715 | epot = -21.4597482066208 | etot = -16.2436968371111 -480000 ekin = 2.09676344946083 | erot = 2.92438195103735 | epot = -21.4845635218899 | etot = -16.4634181213917 -481000 ekin = 2.05435750946169 | erot = 2.899464892258 | epot = -21.5058659565647 | etot = -16.552043554845 -482000 ekin = 1.93906176361667 | erot = 2.94002477322947 | epot = -21.5133252549458 | etot = -16.6342387180997 -483000 ekin = 1.92495432631116 | erot = 3.07385412342439 | epot = -21.5077333577222 | etot = -16.5089249079866 -484000 ekin = 1.92789828975055 | erot = 3.32856329414681 | epot = -21.5066449871575 | etot = -16.2501834032601 -485000 ekin = 1.91268771816301 | erot = 3.09586191791529 | epot = -21.4833052647979 | etot = -16.4747556287196 -486000 ekin = 1.78380043967864 | erot = 3.03494358258153 | epot = -21.4585833289247 | etot = -16.6398393066645 -487000 ekin = 1.66173050700701 | erot = 2.86000419946685 | epot = -21.4169307099543 | etot = -16.8951960034805 -488000 ekin = 1.68618039122613 | erot = 2.81632446798677 | epot = -21.3632748840397 | etot = -16.8607700248269 -489000 ekin = 1.70799546417861 | erot = 2.42402499535231 | epot = -21.2867408576367 | etot = -17.1547203981058 -490000 ekin = 1.7675823123897 | erot = 2.12271247808927 | epot = -21.2077046249559 | etot = -17.3174098344769 -491000 ekin = 1.763066632967 | erot = 2.86063070746491 | epot = -21.1723403735266 | etot = -16.5486430330947 -492000 ekin = 1.76846685645964 | erot = 2.89751715915284 | epot = -21.1637728122909 | etot = -16.4977887966784 -493000 ekin = 1.78426656200534 | erot = 3.00701255652289 | epot = -21.1773664941122 | etot = -16.3860873755839 -494000 ekin = 1.86551817373653 | erot = 2.87131917289134 | epot = -21.2025250650233 | etot = -16.4656877183954 -495000 ekin = 1.90523259261326 | erot = 3.14209453322643 | epot = -21.1998154388831 | etot = -16.1524883130435 -496000 ekin = 1.9833512663616 | erot = 2.98540814212675 | epot = -21.190647849325 | etot = -16.2218884408366 -497000 ekin = 2.0663482572869 | erot = 2.9589659087184 | epot = -21.162155154281 | etot = -16.1368409882757 -498000 ekin = 2.15272400284839 | erot = 3.02117382743709 | epot = -21.1193839391165 | etot = -15.945486108831 -499000 ekin = 2.17953814058354 | erot = 2.79565288062849 | epot = -21.107199393856 | etot = -16.132008372644 -500000 ekin = 2.18279625505118 | erot = 2.73392245688639 | epot = -21.1153073171069 | etot = -16.1985886051693 -501000 ekin = 2.1493445630415 | erot = 3.04941214942258 | epot = -21.1511220012823 | etot = -15.9523652888182 -502000 ekin = 2.24815210672142 | erot = 3.29370999045862 | epot = -21.191424172631 | etot = -15.649562075451 -503000 ekin = 2.24373540198279 | erot = 3.32111123848728 | epot = -21.2742763532377 | etot = -15.7094297127676 -504000 ekin = 2.23803989684424 | erot = 3.09914128419125 | epot = -21.3733619536836 | etot = -16.0361807726481 -505000 ekin = 2.301026054863 | erot = 3.19612982312048 | epot = -21.4437932084698 | etot = -15.9466373304863 -506000 ekin = 2.36370831780336 | erot = 3.19995831891704 | epot = -21.4937378126651 | etot = -15.9300711759447 -507000 ekin = 2.42840177155302 | erot = 2.81713782658397 | epot = -21.5299907326267 | etot = -16.2844511344897 -508000 ekin = 2.34968005299893 | erot = 2.32969767190603 | epot = -21.5629586677088 | etot = -16.8835809428039 -509000 ekin = 2.31587277783952 | erot = 2.32044150422003 | epot = -21.5800976653971 | etot = -16.9437833833376 -510000 ekin = 2.39415651583773 | erot = 2.32489194511605 | epot = -21.5909228684576 | etot = -16.8718744075039 -511000 ekin = 2.37917219486066 | erot = 2.25376804515889 | epot = -21.6001349490027 | etot = -16.9671947089831 -512000 ekin = 2.37938693355399 | erot = 1.9202388598811 | epot = -21.6111071917148 | etot = -17.3114813982797 -513000 ekin = 2.40685857959532 | erot = 2.08600293524419 | epot = -21.6155439119532 | etot = -17.1226823971136 -514000 ekin = 2.46724209327164 | erot = 2.20949952828772 | epot = -21.6418209909603 | etot = -16.9650793694009 -515000 ekin = 2.44642692672638 | erot = 2.02689318439838 | epot = -21.6526616938245 | etot = -17.1793415826998 -516000 ekin = 2.34670203308737 | erot = 2.1539612594322 | epot = -21.6543094777106 | etot = -17.1536461851911 -517000 ekin = 2.33878155191639 | erot = 2.33294662418961 | epot = -21.6421766473134 | etot = -16.9704484712074 -518000 ekin = 2.31107655587534 | erot = 2.15491971030942 | epot = -21.6319254773266 | etot = -17.1659292111418 -519000 ekin = 2.29496119138263 | erot = 2.00492803313407 | epot = -21.6347632719486 | etot = -17.3348740474319 -520000 ekin = 2.15339792107198 | erot = 2.04457004756208 | epot = -21.6507830510491 | etot = -17.4528150824151 -521000 ekin = 2.20801983612442 | erot = 2.16352250997088 | epot = -21.6715366002406 | etot = -17.2999942541453 -522000 ekin = 2.28349511901208 | erot = 2.12203826388421 | epot = -21.70670455002 | etot = -17.3011711671237 -523000 ekin = 2.28326140498752 | erot = 2.24730546524185 | epot = -21.7500540285242 | etot = -17.2194871582948 -524000 ekin = 2.4143039130042 | erot = 2.30243275419784 | epot = -21.7887659971607 | etot = -17.0720293299587 -525000 ekin = 2.46563871852205 | erot = 2.61576568534231 | epot = -21.8311918688005 | etot = -16.7497874649362 -526000 ekin = 2.44766866227838 | erot = 2.73251608599221 | epot = -21.8542594932623 | etot = -16.6740747449917 -527000 ekin = 2.49415128662355 | erot = 2.97647354160871 | epot = -21.86549614123 | etot = -16.3948713129978 -528000 ekin = 2.63765981818835 | erot = 2.90145202540047 | epot = -21.8539949982381 | etot = -16.3148831546493 -529000 ekin = 2.61312965886426 | erot = 2.63810638896243 | epot = -21.8123029021244 | etot = -16.5610668542977 -530000 ekin = 2.61679294703746 | erot = 2.67053467520203 | epot = -21.7690607572619 | etot = -16.4817331350224 -531000 ekin = 2.48476384385703 | erot = 2.71653952081332 | epot = -21.716536544046 | etot = -16.5152331793757 -532000 ekin = 2.48793546388984 | erot = 2.65738787716566 | epot = -21.6564484956907 | etot = -16.5111251546352 -533000 ekin = 2.41456215119455 | erot = 2.64489299438373 | epot = -21.6390724827862 | etot = -16.5796173372079 -534000 ekin = 2.29777827242773 | erot = 2.74873035111897 | epot = -21.6608745386253 | etot = -16.6143659150786 -535000 ekin = 2.26088917727541 | erot = 2.83473610922388 | epot = -21.6981866268837 | etot = -16.6025613403845 -536000 ekin = 2.20131769719336 | erot = 2.88353145322212 | epot = -21.7552484828583 | etot = -16.6703993324428 -537000 ekin = 2.13082565508322 | erot = 2.91286112998284 | epot = -21.7996526043397 | etot = -16.7559658192736 -538000 ekin = 2.05764519091748 | erot = 2.95211539945563 | epot = -21.8281285512859 | etot = -16.8183679609128 -539000 ekin = 1.97437084021542 | erot = 2.90970740612335 | epot = -21.8443187140806 | etot = -16.9602404677418 -540000 ekin = 1.95684111980197 | erot = 2.53831910392175 | epot = -21.8503067819185 | etot = -17.3551465581948 -541000 ekin = 2.01269488661898 | erot = 2.53569793957032 | epot = -21.8275993102506 | etot = -17.2792064840613 -542000 ekin = 2.03504454490688 | erot = 2.82348341864005 | epot = -21.8036330964535 | etot = -16.9451051329066 -543000 ekin = 2.03020807235302 | erot = 3.03370589872105 | epot = -21.8016375466952 | etot = -16.7377235756211 -544000 ekin = 2.0526905285699 | erot = 2.58799516983473 | epot = -21.8033388274283 | etot = -17.1626531290237 -545000 ekin = 2.15141870706955 | erot = 2.4042815973314 | epot = -21.8230803043774 | etot = -17.2673799999764 -546000 ekin = 2.27300091219341 | erot = 2.20572730047329 | epot = -21.8690779560946 | etot = -17.3903497434279 -547000 ekin = 2.35364033678051 | erot = 2.18498069722316 | epot = -21.9465784737243 | etot = -17.4079574397206 -548000 ekin = 2.43307589906662 | erot = 2.42293816342301 | epot = -22.0303494741984 | etot = -17.1743354117087 -549000 ekin = 2.5408859089621 | erot = 2.9095237719502 | epot = -22.1200487075606 | etot = -16.6696390266484 -550000 ekin = 2.56016664627915 | erot = 2.6839810389517 | epot = -22.1766985156474 | etot = -16.9325508304166 -551000 ekin = 2.72417690556167 | erot = 2.72891308441083 | epot = -22.2176306990375 | etot = -16.764540709065 -552000 ekin = 2.72596785657256 | erot = 2.42255580538612 | epot = -22.2421241890567 | etot = -17.093600527098 -553000 ekin = 2.78508615614561 | erot = 2.39994410027743 | epot = -22.2425789733829 | etot = -17.0575487169599 -554000 ekin = 2.81568582164743 | erot = 2.30970996795574 | epot = -22.212027345066 | etot = -17.0866315554629 -555000 ekin = 2.79395520813526 | erot = 2.24542312270131 | epot = -22.1601855930768 | etot = -17.1208072622402 -556000 ekin = 2.81007006192491 | erot = 2.29040711319246 | epot = -22.0853198857606 | etot = -16.9848427106433 -557000 ekin = 2.86720343014877 | erot = 2.06281031141597 | epot = -21.9979009255867 | etot = -17.067887184022 -558000 ekin = 2.75377155929337 | erot = 2.13725587394232 | epot = -21.8668776496785 | etot = -16.9758502164428 -559000 ekin = 2.72157639522935 | erot = 2.20102610126822 | epot = -21.7194344747875 | etot = -16.7968319782899 -560000 ekin = 2.70961845092855 | erot = 2.59816182534501 | epot = -21.5357151296297 | etot = -16.2279348533562 -561000 ekin = 2.57949305004198 | erot = 2.96337390027718 | epot = -21.3145814838315 | etot = -15.7717145335124 -562000 ekin = 2.32107059805617 | erot = 2.5114321407515 | epot = -21.0085235339445 | etot = -16.1760207951368 -563000 ekin = 2.24732443728602 | erot = 2.38790050938188 | epot = -20.815450988449 | etot = -16.1802260417811 -564000 ekin = 2.33791301852585 | erot = 2.68335523927264 | epot = -20.8066084764155 | etot = -15.785340218617 -565000 ekin = 2.3251020907636 | erot = 2.8508896099135 | epot = -20.6671406909933 | etot = -15.4911489903162 -566000 ekin = 2.20543771892918 | erot = 2.3570671903573 | epot = -20.5538554522387 | etot = -15.9913505429522 -567000 ekin = 2.11804196373759 | erot = 2.40185685943679 | epot = -20.4713035116104 | etot = -15.9514046884361 -568000 ekin = 2.22268682011198 | erot = 2.33307148175129 | epot = -20.3820924859933 | etot = -15.82633418413 -569000 ekin = 2.09547585997718 | erot = 2.62261207858588 | epot = -20.2691455782376 | etot = -15.5510576396745 -570000 ekin = 2.01580186947869 | erot = 2.33698172151224 | epot = -20.165895860353 | etot = -15.8131122693621 -571000 ekin = 2.08039178219742 | erot = 2.36534037676669 | epot = -20.0857600662143 | etot = -15.6400279072502 -572000 ekin = 2.11927324959282 | erot = 2.30282149950142 | epot = -20.0451987594367 | etot = -15.6231040103424 -573000 ekin = 2.04663917529167 | erot = 2.33972667939313 | epot = -20.0317480451749 | etot = -15.6453821904901 -574000 ekin = 2.09962922460125 | erot = 2.19990447249072 | epot = -20.0660831814173 | etot = -15.7665494843253 -575000 ekin = 2.27242130434709 | erot = 2.25609508493244 | epot = -20.1489560418931 | etot = -15.6204396526135 -576000 ekin = 2.39016715864509 | erot = 2.22255127128249 | epot = -20.2603613797462 | etot = -15.6476429498186 -577000 ekin = 2.36412563740733 | erot = 2.30198986937718 | epot = -20.3752615554301 | etot = -15.7091460486456 -578000 ekin = 2.49125580710745 | erot = 2.42660786227683 | epot = -20.5025207025988 | etot = -15.5846570332145 -579000 ekin = 2.56165048094669 | erot = 2.83228223321291 | epot = -20.6368911222347 | etot = -15.2429584080751 -580000 ekin = 2.59857076318839 | erot = 2.86537715884225 | epot = -20.7281657529402 | etot = -15.2642178309096 -581000 ekin = 2.75751410053949 | erot = 3.20102304026106 | epot = -20.7812637399731 | etot = -14.8227265991726 -582000 ekin = 2.72186433456398 | erot = 2.73127793091829 | epot = -20.8119294300415 | etot = -15.3587871645592 -583000 ekin = 2.62273499225633 | erot = 2.46109328120281 | epot = -20.8274714671204 | etot = -15.7436431936613 -584000 ekin = 2.65791178049948 | erot = 2.52854330537008 | epot = -20.8318022222694 | etot = -15.6453471363999 -585000 ekin = 2.61150125120808 | erot = 2.75251814406226 | epot = -20.8423541781133 | etot = -15.478334782843 -586000 ekin = 2.56490529514512 | erot = 2.76819989101138 | epot = -20.8235905183125 | etot = -15.490485332156 -587000 ekin = 2.44377479420604 | erot = 2.55313165140467 | epot = -20.7873967690622 | etot = -15.7904903234515 -588000 ekin = 2.54600679288713 | erot = 2.00966564099413 | epot = -20.741489849751 | etot = -16.1858174158697 -589000 ekin = 2.42615788479188 | erot = 1.8739594454408 | epot = -20.7098613915249 | etot = -16.4097440612923 -590000 ekin = 2.42016761405622 | erot = 1.7197705476391 | epot = -20.6824691484087 | etot = -16.5425309867133 -591000 ekin = 2.3876073780024 | erot = 1.84146371886644 | epot = -20.6722800899372 | etot = -16.4432089930684 -592000 ekin = 2.31657054464644 | erot = 1.96505693643476 | epot = -20.70316667755 | etot = -16.4215391964688 -593000 ekin = 2.23530102205155 | erot = 1.81162578854711 | epot = -20.7586825210083 | etot = -16.7117557104097 -594000 ekin = 2.21499618339358 | erot = 1.98026347110251 | epot = -20.8347835084312 | etot = -16.6395238539351 -595000 ekin = 2.17351092068557 | erot = 2.27153694538247 | epot = -20.9049251653836 | etot = -16.4598772993155 -596000 ekin = 2.135367214222 | erot = 2.30838064667257 | epot = -20.9560792436855 | etot = -16.5123313827909 -597000 ekin = 2.05769259414603 | erot = 2.38187665146476 | epot = -20.9894852475398 | etot = -16.549916001929 -598000 ekin = 2.05674814899225 | erot = 2.42014079217215 | epot = -21.0044596830564 | etot = -16.527570741892 -599000 ekin = 1.95864026709762 | erot = 2.3999507598191 | epot = -20.9740626757909 | etot = -16.6154716488742 -600000 ekin = 1.92217253864623 | erot = 2.27990516657244 | epot = -20.9285242414058 | etot = -16.7264465361872 -601000 ekin = 1.98018146832075 | erot = 2.20890815410628 | epot = -20.8846332261999 | etot = -16.6955436037729 -602000 ekin = 1.90184071583288 | erot = 2.1591383050006 | epot = -20.8542535717546 | etot = -16.7932745509212 -603000 ekin = 1.87414785472449 | erot = 2.20472694083466 | epot = -20.840804642708 | etot = -16.7619298471489 -604000 ekin = 1.89566967553992 | erot = 2.33936411504472 | epot = -20.8324704464852 | etot = -16.5974366559006 -605000 ekin = 1.90221219714126 | erot = 2.24714804248274 | epot = -20.8240875666947 | etot = -16.6747273270707 -606000 ekin = 1.98126421387493 | erot = 2.18362681345839 | epot = -20.8318161332644 | etot = -16.6669251059311 -607000 ekin = 1.96256992421039 | erot = 2.3146612889166 | epot = -20.8422192283423 | etot = -16.5649880152153 -608000 ekin = 2.00857732853944 | erot = 2.3524665478589 | epot = -20.8480147460994 | etot = -16.4869708697011 -609000 ekin = 1.95325682031753 | erot = 2.81335207348484 | epot = -20.8594200048123 | etot = -16.0928111110099 -610000 ekin = 1.98193326810065 | erot = 2.88259052339696 | epot = -20.8472840007396 | etot = -15.982760209242 -611000 ekin = 2.04137421596162 | erot = 2.49925666829921 | epot = -20.8306415233214 | etot = -16.2900106390606 -612000 ekin = 2.16269789015088 | erot = 2.70058773214418 | epot = -20.7942268006619 | etot = -15.9309411783669 -613000 ekin = 2.06529168540835 | erot = 2.42568351626014 | epot = -20.7614875640906 | etot = -16.2705123624221 -614000 ekin = 2.1337254705834 | erot = 2.26794536225568 | epot = -20.7223835113489 | etot = -16.3207126785098 -615000 ekin = 2.15900283469812 | erot = 2.41796083425712 | epot = -20.6594009316035 | etot = -16.0824372626483 -616000 ekin = 2.18075700318094 | erot = 2.25199751704725 | epot = -20.6022951429065 | etot = -16.1695406226783 -617000 ekin = 2.15965098363264 | erot = 2.22906613418694 | epot = -20.5852528289999 | etot = -16.1965357111803 -618000 ekin = 2.23225625672975 | erot = 2.44686544718953 | epot = -20.6102249700191 | etot = -15.9311032660998 -619000 ekin = 2.26975454903642 | erot = 2.34289253878031 | epot = -20.6719638155448 | etot = -16.0593167277281 -620000 ekin = 2.30973430443481 | erot = 2.69227064537991 | epot = -20.770197880988 | etot = -15.7681929311733 -621000 ekin = 2.47203322805276 | erot = 3.06119226990021 | epot = -20.9146158917184 | etot = -15.3813903937654 -622000 ekin = 2.62348274560247 | erot = 3.16275527232554 | epot = -21.0868239893485 | etot = -15.3005859714205 -623000 ekin = 2.67387060573014 | erot = 3.22531872328046 | epot = -21.2795790465578 | etot = -15.3803897175472 -624000 ekin = 2.77334044145783 | erot = 3.19930974567985 | epot = -21.4804753178404 | etot = -15.5078251307027 -625000 ekin = 2.822304660725 | erot = 2.97471991851 | epot = -21.6768467596154 | etot = -15.8798221803804 -626000 ekin = 2.97306496702188 | erot = 3.02810006646584 | epot = -21.8368791799813 | etot = -15.8357141464936 -627000 ekin = 2.9396359895919 | erot = 3.11546514885634 | epot = -21.9295648605418 | etot = -15.8744637220935 -628000 ekin = 2.9467540174413 | erot = 2.87563053223973 | epot = -21.9734618105422 | etot = -16.1510772608612 -629000 ekin = 2.93549647211195 | erot = 2.94179551334333 | epot = -21.9629357939843 | etot = -16.085643808529 -630000 ekin = 2.968513495898 | erot = 2.66241758633508 | epot = -21.9367067820004 | etot = -16.3057756997674 -631000 ekin = 2.97170810029481 | erot = 2.92784888357905 | epot = -21.9408587478561 | etot = -16.0413017639823 -632000 ekin = 3.00915408594534 | erot = 3.03331194667377 | epot = -21.966297586726 | etot = -15.9238315541069 -633000 ekin = 3.15130786380813 | erot = 2.90447111403432 | epot = -21.9802035040988 | etot = -15.9244245262564 -634000 ekin = 3.08724307225627 | erot = 3.06470523223771 | epot = -21.9813618086078 | etot = -15.8294135041138 -635000 ekin = 3.09485256628982 | erot = 3.05293629484957 | epot = -21.9761085643258 | etot = -15.8283197031864 -636000 ekin = 3.1883367624613 | erot = 3.09853352594533 | epot = -21.9262309231058 | etot = -15.6393606346991 -637000 ekin = 3.17249776983431 | erot = 2.76836567164433 | epot = -21.8463187618964 | etot = -15.9054553204178 -638000 ekin = 3.15773051904013 | erot = 2.74718314777848 | epot = -21.7521034668652 | etot = -15.8471898000466 -639000 ekin = 3.08619022126253 | erot = 2.75291211878172 | epot = -21.619880700477 | etot = -15.7807783604328 -640000 ekin = 3.13541342359575 | erot = 2.75186869517588 | epot = -21.4236473324243 | etot = -15.5363652136527 -641000 ekin = 2.97070406886251 | erot = 2.53928201823126 | epot = -21.2113872532509 | etot = -15.7014011661571 -642000 ekin = 2.96213641788611 | erot = 2.46548060107447 | epot = -20.9928030195295 | etot = -15.5651860005689 -643000 ekin = 2.84219149582751 | erot = 2.30604210385225 | epot = -20.7796379309883 | etot = -15.6314043313085 -644000 ekin = 2.73987448812059 | erot = 1.92488908230375 | epot = -20.5971129650472 | etot = -15.9323493946229 -645000 ekin = 2.66964682664563 | erot = 2.17741731737643 | epot = -20.4501395419028 | etot = -15.6030753978807 -646000 ekin = 2.55685727423904 | erot = 1.94955682330786 | epot = -20.3484174743049 | etot = -15.842003376758 -647000 ekin = 2.36548817737579 | erot = 2.05467058240558 | epot = -20.2308525146964 | etot = -15.8106937549151 -648000 ekin = 2.31008857244576 | erot = 1.85050053837927 | epot = -20.1170577319198 | etot = -15.9564686210947 -649000 ekin = 2.28205025869235 | erot = 1.7126370869863 | epot = -20.0254728385507 | etot = -16.0307854928721 -650000 ekin = 2.21196677463625 | erot = 1.82025099236611 | epot = -19.9537436999672 | etot = -15.9215259329649 -651000 ekin = 2.17096351970622 | erot = 1.64111059964159 | epot = -19.8939461254392 | etot = -16.0818720060914 -652000 ekin = 2.24485056260397 | erot = 1.59015920734423 | epot = -19.855915209439 | etot = -16.0209054394908 -653000 ekin = 2.24348598334154 | erot = 1.56547926791898 | epot = -19.8354995105725 | etot = -16.026534259312 -654000 ekin = 2.34367054322139 | erot = 1.59100225910914 | epot = -19.8036561058559 | etot = -15.8689833035253 -655000 ekin = 2.33139381348415 | erot = 1.73360745289318 | epot = -19.7790891006602 | etot = -15.7140878342829 -656000 ekin = 2.39082402474816 | erot = 1.66512195058768 | epot = -19.7882728464569 | etot = -15.7323268711211 -657000 ekin = 2.3632649420265 | erot = 1.64634599165861 | epot = -19.8156605115385 | etot = -15.8060495778534 -658000 ekin = 2.37356060304643 | erot = 1.59216090461383 | epot = -19.8647456377848 | etot = -15.8990241301246 -659000 ekin = 2.48069174292895 | erot = 1.49175770497902 | epot = -19.9602607152512 | etot = -15.9878112673432 -660000 ekin = 2.43784148373522 | erot = 1.69304245258743 | epot = -20.0982797920097 | etot = -15.9673958556871 -661000 ekin = 2.50127283299376 | erot = 1.90162951574041 | epot = -20.2564772898339 | etot = -15.8535749410997 -662000 ekin = 2.65651409235402 | erot = 1.9769416830246 | epot = -20.4351000172128 | etot = -15.8016442418342 -663000 ekin = 2.59069846598309 | erot = 2.27024751168609 | epot = -20.5951722286013 | etot = -15.7342262509321 -664000 ekin = 2.6519936252655 | erot = 2.41512175478277 | epot = -20.723695654942 | etot = -15.6565802748938 -665000 ekin = 2.74059693842602 | erot = 2.18558347698592 | epot = -20.8362709840434 | etot = -15.9100905686315 -666000 ekin = 2.81567682366608 | erot = 2.347498605977 | epot = -20.9472815722846 | etot = -15.7841061426415 -667000 ekin = 2.85397277941909 | erot = 2.78444099743822 | epot = -21.0512547888643 | etot = -15.4128410120069 -668000 ekin = 2.9029560959486 | erot = 2.67434743985664 | epot = -21.1196454976531 | etot = -15.5423419618479 -669000 ekin = 2.82586988686545 | erot = 2.59996675336106 | epot = -21.1269738870857 | etot = -15.7011372468592 -670000 ekin = 2.79168631385998 | erot = 2.56332899434135 | epot = -21.1062374856375 | etot = -15.7512221774362 -671000 ekin = 2.78377934011034 | erot = 2.65037677108214 | epot = -21.0707534252218 | etot = -15.6365973140293 -672000 ekin = 2.80370333364227 | erot = 2.43772748784314 | epot = -21.0308122724572 | etot = -15.7893814509718 -673000 ekin = 2.76915399868745 | erot = 2.51561518037604 | epot = -20.9769263473735 | etot = -15.6921571683101 -674000 ekin = 2.64183624634861 | erot = 2.55097233507923 | epot = -20.9182849770311 | etot = -15.7254763956033 -675000 ekin = 2.62521142757518 | erot = 2.64780321266178 | epot = -20.8750415391241 | etot = -15.6020268988872 -676000 ekin = 2.56750452241289 | erot = 2.50976436481742 | epot = -20.8718880077793 | etot = -15.794619120549 -677000 ekin = 2.54381281980489 | erot = 2.88598144344514 | epot = -20.8743650878302 | etot = -15.4445708245802 -678000 ekin = 2.41460230362222 | erot = 2.74956960106234 | epot = -20.8645099379745 | etot = -15.70033803329 -679000 ekin = 2.45714396740976 | erot = 2.51630907313236 | epot = -20.8333930763114 | etot = -15.8599400357693 -680000 ekin = 2.39813210053791 | erot = 2.44684074439997 | epot = -20.7887522768168 | etot = -15.943779431879 -681000 ekin = 2.43918264143159 | erot = 2.34640131965711 | epot = -20.747680811383 | etot = -15.9620968502943 -682000 ekin = 2.35991514290778 | erot = 2.52582496731603 | epot = -20.678338166726 | etot = -15.7925980565022 -683000 ekin = 2.52475831935497 | erot = 2.4303254284145 | epot = -20.5982055545541 | etot = -15.6431218067846 -684000 ekin = 2.58660934635461 | erot = 2.11878822836059 | epot = -20.4924135763666 | etot = -15.7870160016514 -685000 ekin = 2.55154119483633 | erot = 1.7348658418517 | epot = -20.3822175109813 | etot = -16.0958104742933 -686000 ekin = 2.63111018797748 | erot = 1.47730091117203 | epot = -20.3126109077788 | etot = -16.2041998086293 -687000 ekin = 2.63969682019115 | erot = 1.47332301857272 | epot = -20.2996486685951 | etot = -16.1866288298313 -688000 ekin = 2.72349207947758 | erot = 1.29409931094976 | epot = -20.3234627588057 | etot = -16.3058713683784 -689000 ekin = 2.73079979716482 | erot = 1.5600672648961 | epot = -20.4074074566846 | etot = -16.1165403946237 -690000 ekin = 2.88862138997103 | erot = 1.53763438603398 | epot = -20.527130706041 | etot = -16.100874930036 -691000 ekin = 2.93184490556452 | erot = 1.68041505604352 | epot = -20.6817002649686 | etot = -16.0694403033606 -692000 ekin = 3.03965167588275 | erot = 1.53360102419195 | epot = -20.8394269438009 | etot = -16.2661742437262 -693000 ekin = 3.11332037021317 | erot = 1.78276814996271 | epot = -20.9856322860994 | etot = -16.0895437659235 -694000 ekin = 3.26591256423417 | erot = 1.83297982799403 | epot = -21.1162583961236 | etot = -16.0173660038954 -695000 ekin = 3.39944935277176 | erot = 1.85369820811794 | epot = -21.2109777365153 | etot = -15.9578301756256 -696000 ekin = 3.30343203418373 | erot = 1.83180202140646 | epot = -21.2772827777983 | etot = -16.1420487222082 -697000 ekin = 3.22977317647616 | erot = 1.99511551134609 | epot = -21.3085920420929 | etot = -16.0837033542707 -698000 ekin = 3.36545228088468 | erot = 1.93865151713971 | epot = -21.2924696712876 | etot = -15.9883658732632 -699000 ekin = 3.26727101649092 | erot = 2.00750907689809 | epot = -21.2347192164136 | etot = -15.9599391230246 -700000 ekin = 3.23373130843489 | erot = 1.95814796460311 | epot = -21.1439766208011 | etot = -15.9520973477631 -701000 ekin = 3.07791756459632 | erot = 1.84629538321615 | epot = -21.0368350139918 | etot = -16.1126220661793 -702000 ekin = 2.95524336171474 | erot = 2.05334887389002 | epot = -20.9320932298123 | etot = -15.9235009942076 -703000 ekin = 2.81685700197358 | erot = 2.30798807393501 | epot = -20.8529482411061 | etot = -15.7281031651975 -704000 ekin = 2.7860374569489 | erot = 2.41032504549238 | epot = -20.7817305926663 | etot = -15.585368090225 -705000 ekin = 2.82734195960163 | erot = 2.58886515581049 | epot = -20.7054861279342 | etot = -15.2892790125221 -706000 ekin = 2.69252213630991 | erot = 2.87186287347298 | epot = -20.6341395720106 | etot = -15.0697545622277 -707000 ekin = 2.67677781124234 | erot = 2.61015441384314 | epot = -20.5829958432682 | etot = -15.2960636181827 -708000 ekin = 2.61607470121092 | erot = 2.52638154954409 | epot = -20.5707989768077 | etot = -15.4283427260527 -709000 ekin = 2.66476396394708 | erot = 2.77686126060226 | epot = -20.5966805252115 | etot = -15.1550553006622 -710000 ekin = 2.72473753944311 | erot = 3.01436891653856 | epot = -20.6381576133419 | etot = -14.8990511573603 -711000 ekin = 2.73828751365553 | erot = 2.96087104909546 | epot = -20.6834857916291 | etot = -14.9843272288781 -712000 ekin = 2.62321032142564 | erot = 3.36842837276305 | epot = -20.7033938368062 | etot = -14.7117551426175 -713000 ekin = 2.57840853452334 | erot = 3.23870482700723 | epot = -20.7157410164414 | etot = -14.8986276549108 -714000 ekin = 2.57830571481508 | erot = 3.18574747943756 | epot = -20.7368579407289 | etot = -14.9728047464762 -715000 ekin = 2.55353778251633 | erot = 3.0602947148483 | epot = -20.754741492098 | etot = -15.1409089947334 -716000 ekin = 2.55549921704991 | erot = 2.85756803731166 | epot = -20.7715752448115 | etot = -15.35850799045 -717000 ekin = 2.6684096005884 | erot = 3.13695167508794 | epot = -20.7817582371967 | etot = -14.9763969615203 -718000 ekin = 2.70162233045692 | erot = 2.88936608298093 | epot = -20.7821953404604 | etot = -15.1912069270225 -719000 ekin = 2.67856075035663 | erot = 3.06593156988603 | epot = -20.7772381096807 | etot = -15.032745789438 -720000 ekin = 2.73835391684204 | erot = 3.1260661579715 | epot = -20.7642516702523 | etot = -14.8998315954388 -721000 ekin = 2.83298219908736 | erot = 2.86786361439848 | epot = -20.7356626767526 | etot = -15.0348168632668 -722000 ekin = 2.84238954774469 | erot = 3.0130054489483 | epot = -20.6952880713167 | etot = -14.8398930746237 -723000 ekin = 2.83841887662251 | erot = 2.85261974479237 | epot = -20.6504830813442 | etot = -14.9594444599293 -724000 ekin = 3.01277617592967 | erot = 3.09042764557525 | epot = -20.6160634840685 | etot = -14.5128596625636 -725000 ekin = 3.17120635017279 | erot = 2.96143140596372 | epot = -20.5877395535624 | etot = -14.4551017974259 -726000 ekin = 3.20454859904875 | erot = 2.97124869107361 | epot = -20.5737408249939 | etot = -14.3979435348715 -727000 ekin = 3.19846557634571 | erot = 2.77789168617429 | epot = -20.5945168300514 | etot = -14.6181595675314 -728000 ekin = 3.28654276144371 | erot = 2.57414717613078 | epot = -20.640457349214 | etot = -14.7797674116395 -729000 ekin = 3.3439785552026 | erot = 2.60607683819484 | epot = -20.6877535154514 | etot = -14.7376981220539 -730000 ekin = 3.33088715350237 | erot = 2.65576997467221 | epot = -20.7175880662468 | etot = -14.7309309380722 -731000 ekin = 3.33990502646308 | erot = 2.78966197817343 | epot = -20.7385421874511 | etot = -14.6089751828146 -732000 ekin = 3.27037431476543 | erot = 3.16404088131425 | epot = -20.7088668644641 | etot = -14.2744516683844 -733000 ekin = 3.16062340528016 | erot = 3.37415612395544 | epot = -20.6516575424073 | etot = -14.1168780131717 -734000 ekin = 3.09953693998324 | erot = 3.25267070419762 | epot = -20.5803936969356 | etot = -14.2281860527547 -735000 ekin = 2.94450728592261 | erot = 2.96857162868856 | epot = -20.4729949298543 | etot = -14.5599160152432 -736000 ekin = 2.7958481765176 | erot = 2.9239669205071 | epot = -20.3407691844256 | etot = -14.6209540874009 -737000 ekin = 2.72272921166398 | erot = 3.17345753492493 | epot = -20.1979266935853 | etot = -14.3017399469964 -738000 ekin = 2.54332056785739 | erot = 3.29818161761707 | epot = -20.0303847475409 | etot = -14.1888825620664 -739000 ekin = 2.32323875619857 | erot = 2.93500343249744 | epot = -19.8750675706789 | etot = -14.6168253819829 -740000 ekin = 2.15390188391517 | erot = 2.57318962024238 | epot = -19.7116721317164 | etot = -14.9845806275589 -741000 ekin = 1.95437882697948 | erot = 2.32607517304431 | epot = -19.5750053199849 | etot = -15.2945513199611 -742000 ekin = 1.92783578015067 | erot = 2.13064797487019 | epot = -19.4713087417752 | etot = -15.4128249867544 -743000 ekin = 2.04931727768884 | erot = 2.05953320755507 | epot = -19.3808587546544 | etot = -15.2720082694105 -744000 ekin = 1.97574953400554 | erot = 2.0627248717493 | epot = -19.3292238016071 | etot = -15.2907493958523 -745000 ekin = 2.04017863714732 | erot = 1.82427330713394 | epot = -19.3294627618532 | etot = -15.4650108175719 -746000 ekin = 2.0239515938615 | erot = 1.96899911255019 | epot = -19.3725184887274 | etot = -15.3795677823157 -747000 ekin = 2.09406854938782 | erot = 1.94863482625804 | epot = -19.4739827252228 | etot = -15.4312793495769 -748000 ekin = 2.2981509463802 | erot = 1.9007444973105 | epot = -19.6283880334729 | etot = -15.4294925897822 -749000 ekin = 2.35637166185873 | erot = 1.88187224436553 | epot = -19.8091245759456 | etot = -15.5708806697214 -750000 ekin = 2.46261791012991 | erot = 1.68915240890073 | epot = -20.0059909069074 | etot = -15.8542205878767 -751000 ekin = 2.60407300534198 | erot = 1.90400653681735 | epot = -20.2085470980303 | etot = -15.700467555871 -752000 ekin = 2.69082470142479 | erot = 2.30656368674329 | epot = -20.4330055381863 | etot = -15.4356171500182 -753000 ekin = 2.86185352213773 | erot = 2.08508944835044 | epot = -20.6608245815304 | etot = -15.7138816110423 -754000 ekin = 2.98333808215677 | erot = 2.53924444651836 | epot = -20.8729357638507 | etot = -15.3503532351755 -755000 ekin = 3.15712054719979 | erot = 2.80998037917417 | epot = -21.089409214386 | etot = -15.122308288012 -756000 ekin = 3.33248676900326 | erot = 2.85318697997032 | epot = -21.269924842092 | etot = -15.0842510931184 -757000 ekin = 3.41680611924925 | erot = 2.92784780738199 | epot = -21.4304548340673 | etot = -15.0858009074361 -758000 ekin = 3.39156382871297 | erot = 2.78356707636008 | epot = -21.576696598629 | etot = -15.401565693556 -759000 ekin = 3.43155653282502 | erot = 2.83467624438526 | epot = -21.6891769319694 | etot = -15.4229441547591 -760000 ekin = 3.45801219419692 | erot = 2.61557400116939 | epot = -21.7546703090586 | etot = -15.6810841136923 -761000 ekin = 3.37717727044775 | erot = 2.8956375520945 | epot = -21.789202831323 | etot = -15.5163880087808 -762000 ekin = 3.47824550195057 | erot = 2.79188597259465 | epot = -21.7977512926642 | etot = -15.527619818119 -763000 ekin = 3.47659880804314 | erot = 2.54885516262659 | epot = -21.7781604169458 | etot = -15.7527064462761 -764000 ekin = 3.45277978719522 | erot = 2.64283550756138 | epot = -21.7044469789531 | etot = -15.6088316841965 -765000 ekin = 3.39906272086552 | erot = 2.44961754559262 | epot = -21.5950318186521 | etot = -15.746351552194 -766000 ekin = 3.34001470871272 | erot = 2.39682151597884 | epot = -21.4894395399038 | etot = -15.7526033152123 -767000 ekin = 3.45549704933041 | erot = 2.33544666401034 | epot = -21.3866970636422 | etot = -15.5957533503015 -768000 ekin = 3.26198074071046 | erot = 2.45762138127352 | epot = -21.2912857370597 | etot = -15.5716836150757 -769000 ekin = 3.16082467479808 | erot = 2.36075087935245 | epot = -21.2103530429965 | etot = -15.688777488846 -770000 ekin = 3.07645918396924 | erot = 2.4925900630739 | epot = -21.1212342627875 | etot = -15.5521850157443 -771000 ekin = 2.92350840414402 | erot = 2.56275243304922 | epot = -21.0363085296096 | etot = -15.5500476924164 -772000 ekin = 2.75979211106294 | erot = 2.44752256772038 | epot = -20.938158693868 | etot = -15.7308440150847 -773000 ekin = 2.71511621634669 | erot = 2.32937899997663 | epot = -20.8439731838767 | etot = -15.7994779675533 -774000 ekin = 2.5501181043417 | erot = 2.4833205550087 | epot = -20.7658389533277 | etot = -15.7324002939773 -775000 ekin = 2.41197388502376 | erot = 2.62818884118392 | epot = -20.7179622711116 | etot = -15.6777995449039 -776000 ekin = 2.37508963815638 | erot = 2.4413693722769 | epot = -20.7211512138291 | etot = -15.9046922033958 -777000 ekin = 2.34948686881501 | erot = 2.36213131358723 | epot = -20.7370244755325 | etot = -16.0254062931302 -778000 ekin = 2.29585534902507 | erot = 2.73124120723735 | epot = -20.7683121988625 | etot = -15.7412156426001 -779000 ekin = 2.18150396589501 | erot = 2.72210705119072 | epot = -20.8059074416474 | etot = -15.9022964245616 -780000 ekin = 2.26066885699434 | erot = 2.87221231082937 | epot = -20.8394643204856 | etot = -15.7065831526618 -781000 ekin = 2.27461625652574 | erot = 2.81372031403662 | epot = -20.8757314682934 | etot = -15.787394897731 -782000 ekin = 2.19892592960391 | erot = 2.61785718560377 | epot = -20.89651313073 | etot = -16.0797300155223 -783000 ekin = 2.22941617588597 | erot = 2.47751279799165 | epot = -20.9183852720836 | etot = -16.211456298206 -784000 ekin = 2.42718924867942 | erot = 2.81382459332945 | epot = -20.9279105230659 | etot = -15.6868966810571 -785000 ekin = 2.388256325638 | erot = 2.70987963105491 | epot = -20.9108108361691 | etot = -15.8126748794762 -786000 ekin = 2.4440461871171 | erot = 2.52658585483966 | epot = -20.9041006583262 | etot = -15.9334686163694 -787000 ekin = 2.50702113933241 | erot = 2.28293105807323 | epot = -20.8749015767315 | etot = -16.0849493793259 -788000 ekin = 2.4490666689078 | erot = 2.41360841664409 | epot = -20.8341700774424 | etot = -15.9714949918905 -789000 ekin = 2.52045486785591 | erot = 2.52744454804456 | epot = -20.7905656205227 | etot = -15.7426662046222 -790000 ekin = 2.52825818807966 | erot = 2.68548159035115 | epot = -20.757581950223 | etot = -15.5438421717922 -791000 ekin = 2.64995125141675 | erot = 2.73987493548448 | epot = -20.734977399363 | etot = -15.3451512124617 -792000 ekin = 2.70397080831161 | erot = 2.64980290799394 | epot = -20.7100100046766 | etot = -15.356236288371 -793000 ekin = 2.750332948453 | erot = 2.54340061653018 | epot = -20.707836297178 | etot = -15.4141027321949 -794000 ekin = 2.8653381311493 | erot = 2.55380338833671 | epot = -20.7048471683316 | etot = -15.2857056488456 -795000 ekin = 2.78119650415431 | erot = 2.26710967345022 | epot = -20.7038606047262 | etot = -15.6555544271216 -796000 ekin = 2.7524772965948 | erot = 1.93248690499302 | epot = -20.7002506155573 | etot = -16.0152864139695 -797000 ekin = 2.87695524377423 | erot = 1.75440457751931 | epot = -20.7015802402497 | etot = -16.0702204189561 -798000 ekin = 2.92176058311519 | erot = 1.87424589751672 | epot = -20.7289229999115 | etot = -15.9329165192796 -799000 ekin = 2.84123141391943 | erot = 1.69781273980071 | epot = -20.753619486937 | etot = -16.2145753332168 -800000 ekin = 2.88647051776135 | erot = 1.8845884679479 | epot = -20.7813888694614 | etot = -16.0103298837521 -801000 ekin = 2.82188707288437 | erot = 1.97533232918764 | epot = -20.7854390466837 | etot = -15.9882196446117 -802000 ekin = 2.80670744878678 | erot = 1.92170823847808 | epot = -20.7694229323802 | etot = -16.0410072451153 -803000 ekin = 2.81917409800309 | erot = 1.86293659025146 | epot = -20.736880956466 | etot = -16.0547702682115 -804000 ekin = 2.81542679490223 | erot = 1.8248381634794 | epot = -20.7049136915727 | etot = -16.064648733191 -805000 ekin = 2.7662102530107 | erot = 1.80656496128512 | epot = -20.6689552876865 | etot = -16.0961800733907 -806000 ekin = 2.65050365938285 | erot = 2.07564631955298 | epot = -20.6394756033498 | etot = -15.913325624414 -807000 ekin = 2.5562413456694 | erot = 2.16054307897126 | epot = -20.6134778956026 | etot = -15.8966934709619 -808000 ekin = 2.4873801372098 | erot = 2.32147389178902 | epot = -20.5888178207125 | etot = -15.7799637917137 -809000 ekin = 2.4786273298817 | erot = 2.4849882609475 | epot = -20.5619387083681 | etot = -15.5983231175389 -810000 ekin = 2.39703068581775 | erot = 2.81931500773775 | epot = -20.5424309669721 | etot = -15.3260852734166 -811000 ekin = 2.37887287485907 | erot = 2.69438802886465 | epot = -20.5520463788994 | etot = -15.4787854751757 -812000 ekin = 2.28085047814072 | erot = 2.4248513842694 | epot = -20.5550539173034 | etot = -15.8493520548933 -813000 ekin = 2.25229479784389 | erot = 2.55707080478972 | epot = -20.5502753315565 | etot = -15.7409097289229 -814000 ekin = 2.22024450946151 | erot = 2.84053382533175 | epot = -20.5291885807543 | etot = -15.468410245961 -815000 ekin = 2.14652605610553 | erot = 2.67021357483755 | epot = -20.4999623788204 | etot = -15.6832227478773 -816000 ekin = 2.1594176029821 | erot = 2.59153501297938 | epot = -20.4557339217919 | etot = -15.7047813058304 -817000 ekin = 2.16476188533261 | erot = 2.3341335458438 | epot = -20.3878114616849 | etot = -15.8889160305084 -818000 ekin = 2.2316964675901 | erot = 2.16459446462076 | epot = -20.3094264209628 | etot = -15.9131354887519 -819000 ekin = 2.15183597113008 | erot = 1.96236374628699 | epot = -20.2442212233172 | etot = -16.1300215059002 -820000 ekin = 2.15160519820179 | erot = 1.78654941276898 | epot = -20.1685556064356 | etot = -16.2304009954648 -821000 ekin = 2.11411181703459 | erot = 1.59439007001321 | epot = -20.1045081087113 | etot = -16.3960062216635 -822000 ekin = 2.09578590796832 | erot = 1.82458690696502 | epot = -20.0615873148663 | etot = -16.1412144999329 -823000 ekin = 2.08554311077402 | erot = 1.79122152448752 | epot = -20.0542615586192 | etot = -16.1774969233576 -824000 ekin = 2.06608530910568 | erot = 1.83488646651528 | epot = -20.0832229529284 | etot = -16.1822511773074 -825000 ekin = 2.12914321441478 | erot = 2.12189619250101 | epot = -20.1297268549431 | etot = -15.8786874480273 -826000 ekin = 2.17617898744288 | erot = 2.29556289596594 | epot = -20.172646352924 | etot = -15.7009044695152 -827000 ekin = 2.1541933130057 | erot = 2.34308143022508 | epot = -20.2056332381724 | etot = -15.7083584949417 -828000 ekin = 2.20039878821194 | erot = 2.41783518802157 | epot = -20.2229965044045 | etot = -15.604762528171 -829000 ekin = 2.20314847732571 | erot = 2.56607297380311 | epot = -20.2051061030743 | etot = -15.4358846519455 -830000 ekin = 2.30175185120456 | erot = 2.43964061204045 | epot = -20.1552304697953 | etot = -15.4138380065503 -831000 ekin = 2.24000691994547 | erot = 2.16496177189546 | epot = -20.0860391808208 | etot = -15.6810704889798 -832000 ekin = 2.23825638063342 | erot = 2.25483913353687 | epot = -20.0235934169571 | etot = -15.5304979027868 -833000 ekin = 2.16205349111652 | erot = 1.94237500276371 | epot = -19.9879274641397 | etot = -15.8834989702595 -834000 ekin = 2.16740768022488 | erot = 1.70564999745802 | epot = -19.9844147815709 | etot = -16.111357103888 -835000 ekin = 2.17278893541051 | erot = 1.56429512699082 | epot = -20.0201055001639 | etot = -16.2830214377626 -836000 ekin = 2.12097731365457 | erot = 1.73560474622194 | epot = -20.0572346764645 | etot = -16.200652616588 -837000 ekin = 2.13598638451596 | erot = 1.79213525365432 | epot = -20.0629697156961 | etot = -16.1348480775258 -838000 ekin = 2.155236659974 | erot = 1.6597576786498 | epot = -20.0531324206633 | etot = -16.2381380820395 -839000 ekin = 2.18050335550332 | erot = 1.62185210117957 | epot = -20.0624518040168 | etot = -16.2600963473339 -840000 ekin = 2.26003994524086 | erot = 1.64754456826618 | epot = -20.0987090628808 | etot = -16.1911245493738 -841000 ekin = 2.35849160545682 | erot = 1.45991256461146 | epot = -20.1235761929062 | etot = -16.3051720228379 -842000 ekin = 2.30506950612889 | erot = 1.67704941831984 | epot = -20.1403357838886 | etot = -16.1582168594399 -843000 ekin = 2.25000612105265 | erot = 1.57916412105146 | epot = -20.178749085045 | etot = -16.3495788429409 -844000 ekin = 2.36131993993677 | erot = 1.74224823968073 | epot = -20.2587879559388 | etot = -16.1552197763213 -845000 ekin = 2.37622491879865 | erot = 1.78604993278489 | epot = -20.3527813128758 | etot = -16.1905064612923 -846000 ekin = 2.34115102661114 | erot = 1.84579845054568 | epot = -20.4555275090995 | etot = -16.2685780319426 -847000 ekin = 2.41159198035498 | erot = 1.92961286076136 | epot = -20.5532540909635 | etot = -16.2120492498472 -848000 ekin = 2.31213774862364 | erot = 2.08278486795961 | epot = -20.6337560180199 | etot = -16.2388334014366 -849000 ekin = 2.30336620270337 | erot = 2.04122209248428 | epot = -20.6821032694947 | etot = -16.337514974307 -850000 ekin = 2.25629668954079 | erot = 2.1827089461388 | epot = -20.7098894953333 | etot = -16.2708838596537 -851000 ekin = 2.29979938433515 | erot = 2.41406540449276 | epot = -20.7044118358106 | etot = -15.9905470469827 -852000 ekin = 2.26390891815863 | erot = 2.16338375104434 | epot = -20.6569849671614 | etot = -16.2296922979585 -853000 ekin = 2.3042457110132 | erot = 1.99747184850866 | epot = -20.5998336497752 | etot = -16.2981160902533 -854000 ekin = 2.36419736155972 | erot = 2.06846824934106 | epot = -20.520428197268 | etot = -16.0877625863673 -855000 ekin = 2.34728028486118 | erot = 1.93310140619988 | epot = -20.4489431066125 | etot = -16.1685614155514 -856000 ekin = 2.30561682537924 | erot = 1.7468225593453 | epot = -20.3871281777724 | etot = -16.3346887930479 -857000 ekin = 2.27745448387241 | erot = 1.8357005645436 | epot = -20.3461722185286 | etot = -16.2330171701126 -858000 ekin = 2.36509593163739 | erot = 1.75581829580622 | epot = -20.3410559181935 | etot = -16.2201416907498 -859000 ekin = 2.38832938274202 | erot = 1.82095166272789 | epot = -20.3690417944097 | etot = -16.1597607489398 -860000 ekin = 2.52181162102415 | erot = 1.95420940577044 | epot = -20.4478015207824 | etot = -15.9717804939878 -861000 ekin = 2.62858628470805 | erot = 1.82148423675546 | epot = -20.5405427960154 | etot = -16.0904722745519 -862000 ekin = 2.69973060754157 | erot = 1.84887576916208 | epot = -20.6629551977625 | etot = -16.1143488210589 -863000 ekin = 2.90205526612768 | erot = 1.95053830347129 | epot = -20.7912991546469 | etot = -15.9387055850479 -864000 ekin = 3.12658816228353 | erot = 1.98858429691946 | epot = -20.8929021658137 | etot = -15.7777297066107 -865000 ekin = 3.16945674700278 | erot = 1.86291391059874 | epot = -20.9419832509068 | etot = -15.9096125933052 -866000 ekin = 3.25216934165267 | erot = 1.97645641207249 | epot = -20.9567552239706 | etot = -15.7281294702455 -867000 ekin = 3.24945037233148 | erot = 1.84073824549816 | epot = -20.9282973760204 | etot = -15.8381087581907 -868000 ekin = 3.07999788772602 | erot = 1.92805224835509 | epot = -20.8706478182266 | etot = -15.8625976821455 -869000 ekin = 2.91009138976889 | erot = 1.95537175968492 | epot = -20.7577406936838 | etot = -15.8922775442299 -870000 ekin = 2.98633737341202 | erot = 1.74639234614442 | epot = -20.6193203055685 | etot = -15.8865905860121 -871000 ekin = 2.82797025785024 | erot = 2.22216789862767 | epot = -20.5143766346289 | etot = -15.464238478151 -872000 ekin = 2.75225970096172 | erot = 2.04685014109657 | epot = -20.4197450563602 | etot = -15.6206352143019 -873000 ekin = 2.76508179334924 | erot = 2.07802391335104 | epot = -20.3610564187726 | etot = -15.5179507120724 -874000 ekin = 2.70667266094186 | erot = 2.03935635819039 | epot = -20.3167066993019 | etot = -15.5706776801697 -875000 ekin = 2.75331326518688 | erot = 1.87289863150028 | epot = -20.292306770067 | etot = -15.6660948733799 -876000 ekin = 2.71618421707282 | erot = 1.89637161128832 | epot = -20.2754390470299 | etot = -15.6628832186688 -877000 ekin = 2.71649559901529 | erot = 2.02021579600124 | epot = -20.2646771674143 | etot = -15.5279657723978 -878000 ekin = 2.62749245340177 | erot = 1.88626086619189 | epot = -20.2836933343753 | etot = -15.7699400147816 -879000 ekin = 2.74884813769532 | erot = 1.75263692861084 | epot = -20.3265216122721 | etot = -15.825036545966 -880000 ekin = 2.71696155764851 | erot = 1.77313431669203 | epot = -20.4055312116426 | etot = -15.9154353373021 -881000 ekin = 2.78382645158866 | erot = 1.81182472346909 | epot = -20.5191596774759 | etot = -15.9235085024182 -882000 ekin = 2.81130894387483 | erot = 2.09576450580344 | epot = -20.6489904734902 | etot = -15.741917023812 -883000 ekin = 2.88120316600177 | erot = 2.27294351864316 | epot = -20.7888871990869 | etot = -15.6347405144419 -884000 ekin = 2.90293873255418 | erot = 2.48430131570204 | epot = -20.9203204845733 | etot = -15.5330804363171 -885000 ekin = 2.83822193724187 | erot = 2.33567911137689 | epot = -21.0170580718189 | etot = -15.8431570232002 -886000 ekin = 2.7998012720849 | erot = 2.39879132479689 | epot = -21.1056755206453 | etot = -15.9070829237635 -887000 ekin = 2.84559753547726 | erot = 2.23279918443315 | epot = -21.1991974917508 | etot = -16.1208007718404 -888000 ekin = 2.78048788087585 | erot = 2.21910506766716 | epot = -21.2985745989316 | etot = -16.2989816503886 -889000 ekin = 2.69583578763831 | erot = 2.42515435306393 | epot = -21.3860199387971 | etot = -16.2650297980949 -890000 ekin = 2.58377832307697 | erot = 2.46763021206656 | epot = -21.4668454924047 | etot = -16.4154369572612 -891000 ekin = 2.65145947657508 | erot = 2.54188813630614 | epot = -21.5059683813091 | etot = -16.3126207684279 -892000 ekin = 2.67593216257319 | erot = 2.30931133615829 | epot = -21.5221026652215 | etot = -16.5368591664901 -893000 ekin = 2.6330379108205 | erot = 2.54633069672426 | epot = -21.5431241050785 | etot = -16.3637554975338 -894000 ekin = 2.67500961491507 | erot = 2.62632956964415 | epot = -21.5659877596139 | etot = -16.2646485750547 -895000 ekin = 2.69351100875758 | erot = 2.87253630615187 | epot = -21.5608314238547 | etot = -15.9947841089452 -896000 ekin = 2.73971679868459 | erot = 2.83751968369822 | epot = -21.5599160231106 | etot = -15.9826795407278 -897000 ekin = 2.59024156060526 | erot = 3.14999384860218 | epot = -21.516909346574 | etot = -15.7766739373666 -898000 ekin = 2.53463691976959 | erot = 2.86279041479464 | epot = -21.4480578810232 | etot = -16.050630546459 -899000 ekin = 2.47014007897646 | erot = 2.84092875108399 | epot = -21.4001318574341 | etot = -16.0890630273737 -900000 ekin = 2.41396838915947 | erot = 2.61119437719758 | epot = -21.317178398511 | etot = -16.2920156321539 -901000 ekin = 2.39217135029622 | erot = 2.42887884956516 | epot = -21.2332353575312 | etot = -16.4121851576699 -902000 ekin = 2.35623147489354 | erot = 2.68618153800008 | epot = -21.1565378225641 | etot = -16.1141248096705 -903000 ekin = 2.40445872766512 | erot = 2.65960453389372 | epot = -21.0523977096232 | etot = -15.9883344480644 -904000 ekin = 2.38268859333766 | erot = 2.75563140701159 | epot = -20.9254211676189 | etot = -15.7871011672696 -905000 ekin = 2.33859357853608 | erot = 2.74896960744455 | epot = -20.7865758980932 | etot = -15.6990127121126 -906000 ekin = 2.24424050125722 | erot = 2.67219011400459 | epot = -20.6458687615363 | etot = -15.7294381462745 -907000 ekin = 2.11959693796271 | erot = 2.6912404276246 | epot = -20.5218058154343 | etot = -15.710968449847 -908000 ekin = 1.99538198820417 | erot = 2.73765845183768 | epot = -20.4226667461155 | etot = -15.6896263060737 -909000 ekin = 1.91948050394767 | erot = 2.81092155873009 | epot = -20.3715084186363 | etot = -15.6411063559585 -910000 ekin = 1.86559504281192 | erot = 2.50422584066007 | epot = -20.354295857683 | etot = -15.9844749742111 -911000 ekin = 1.93700212306668 | erot = 2.70182168284124 | epot = -20.3630470394691 | etot = -15.7242232335612 -912000 ekin = 2.01297731830434 | erot = 2.59333468311027 | epot = -20.4016114857549 | etot = -15.7952994843403 -913000 ekin = 2.0489325329366 | erot = 2.44335563755548 | epot = -20.4595271951783 | etot = -15.9672390246862 -914000 ekin = 2.13522967419318 | erot = 2.04488675557111 | epot = -20.5157656558596 | etot = -16.3356492260953 -915000 ekin = 2.25766070321713 | erot = 1.97393473123362 | epot = -20.6118613948288 | etot = -16.3802659603781 -916000 ekin = 2.21223622141694 | erot = 2.10345838304615 | epot = -20.754410524097 | etot = -16.4387159196339 -917000 ekin = 2.40651996373664 | erot = 1.99495172303677 | epot = -20.9073170323362 | etot = -16.5058453455628 -918000 ekin = 2.53615730988932 | erot = 2.01638663666291 | epot = -21.0405250498178 | etot = -16.4879811032656 -919000 ekin = 2.65442530964963 | erot = 2.0876213593564 | epot = -21.1719711454817 | etot = -16.4299244764757 -920000 ekin = 2.77534951778639 | erot = 2.11359099299367 | epot = -21.2829839475272 | etot = -16.3940434367471 -921000 ekin = 2.91643782768224 | erot = 2.28215815938558 | epot = -21.3691506671587 | etot = -16.1705546800909 -922000 ekin = 2.95567400678637 | erot = 1.92472032500007 | epot = -21.4077235507563 | etot = -16.5273292189699 -923000 ekin = 2.96258486890882 | erot = 1.54690402842668 | epot = -21.3938794896988 | etot = -16.8843905923633 -924000 ekin = 2.92134762613199 | erot = 1.70996406555928 | epot = -21.3449839261311 | etot = -16.7136722344398 -925000 ekin = 2.84653903464864 | erot = 1.92806668586779 | epot = -21.2846325911284 | etot = -16.510026870612 -926000 ekin = 2.90254254848598 | erot = 2.07364806195529 | epot = -21.2015262749286 | etot = -16.2253356644873 -927000 ekin = 2.91395828926413 | erot = 2.18066099339461 | epot = -21.1200145418047 | etot = -16.025395259146 -928000 ekin = 2.84512894116016 | erot = 2.48044872209653 | epot = -20.9999796012787 | etot = -15.674401938022 -929000 ekin = 2.66004165976114 | erot = 2.51779336046962 | epot = -20.8727093584572 | etot = -15.6948743382265 -930000 ekin = 2.6545466782943 | erot = 2.57569274741415 | epot = -20.7556416891754 | etot = -15.525402263467 -931000 ekin = 2.67423829393946 | erot = 2.88523636975912 | epot = -20.6759551108841 | etot = -15.1164804471855 -932000 ekin = 2.62616449296355 | erot = 2.54798110237941 | epot = -20.6086291233289 | etot = -15.4344835279859 -933000 ekin = 2.69383973705599 | erot = 2.46235736679314 | epot = -20.54561258563 | etot = -15.3894154817809 -934000 ekin = 2.7677642743111 | erot = 2.34101084786864 | epot = -20.4809121018787 | etot = -15.372136979699 -935000 ekin = 2.72642510821387 | erot = 2.35916469229107 | epot = -20.4211165962346 | etot = -15.3355267957297 -936000 ekin = 2.79063797840949 | erot = 2.07475414089715 | epot = -20.39575856362 | etot = -15.5303664443133 -937000 ekin = 2.98467692526026 | erot = 1.99225267024811 | epot = -20.4024768464832 | etot = -15.4255472509748 -938000 ekin = 3.04156516590336 | erot = 2.13242133064027 | epot = -20.3998804937967 | etot = -15.2258939972531 -939000 ekin = 3.07943235169643 | erot = 2.19292802789746 | epot = -20.377015696722 | etot = -15.1046553171281 -940000 ekin = 3.11450220916332 | erot = 2.05442808222263 | epot = -20.3386629407116 | etot = -15.1697326493257 -941000 ekin = 3.1673723572625 | erot = 2.43340006549779 | epot = -20.2760521197247 | etot = -14.6752796969644 -942000 ekin = 3.27652888451167 | erot = 2.44054387582516 | epot = -20.166869297399 | etot = -14.4497965370622 -943000 ekin = 3.13900445201123 | erot = 2.17030471354849 | epot = -20.0267063041317 | etot = -14.7173971385719 -944000 ekin = 3.1157767971462 | erot = 1.97360877260966 | epot = -19.8813791244596 | etot = -14.7919935547037 -945000 ekin = 3.14747064890608 | erot = 1.73794156198925 | epot = -19.7300654287798 | etot = -14.8446532178844 -946000 ekin = 3.06500562594212 | erot = 1.59817914677196 | epot = -19.583631952048 | etot = -14.9204471793339 -947000 ekin = 3.06465941958365 | erot = 1.56394261373887 | epot = -19.4474159558771 | etot = -14.8188139225545 -948000 ekin = 3.07897503028523 | erot = 1.70141948030273 | epot = -19.3426980410741 | etot = -14.5623035304862 -949000 ekin = 2.87406117522931 | erot = 1.60153309498399 | epot = -19.2597755284806 | etot = -14.7841812582673 -950000 ekin = 2.84815804599153 | erot = 1.42715690189525 | epot = -19.2062266956084 | etot = -14.9309117477216 -951000 ekin = 2.78080942687086 | erot = 1.40916295422846 | epot = -19.1985529774584 | etot = -15.0085805963591 -952000 ekin = 2.67957446722124 | erot = 1.63751827005628 | epot = -19.1980674262524 | etot = -14.8809746889749 -953000 ekin = 2.69185316270153 | erot = 1.85029680460109 | epot = -19.2316635394469 | etot = -14.6895135721443 -954000 ekin = 2.64694034455339 | erot = 2.11448729476975 | epot = -19.2977991859254 | etot = -14.5363715466022 -955000 ekin = 2.7322410216683 | erot = 2.37373438935249 | epot = -19.3777324828793 | etot = -14.2717570718585 -956000 ekin = 2.80603458830182 | erot = 2.32665803374312 | epot = -19.4665233130259 | etot = -14.3338306909809 -957000 ekin = 2.73176061747242 | erot = 2.74205596111945 | epot = -19.524980257439 | etot = -14.0511636788471 -958000 ekin = 2.77128367160854 | erot = 2.7068271152838 | epot = -19.5522596510488 | etot = -14.0741488641564 -959000 ekin = 2.78347654187748 | erot = 2.83940326280202 | epot = -19.5446437759979 | etot = -13.9217639713184 -960000 ekin = 2.63327999524026 | erot = 3.22713050217908 | epot = -19.5114109332442 | etot = -13.6510004358248 -961000 ekin = 2.53039842552575 | erot = 3.04837954363138 | epot = -19.4489807736386 | etot = -13.8702028044814 -962000 ekin = 2.42158405784754 | erot = 2.73764467618047 | epot = -19.3495392486846 | etot = -14.1903105146565 -963000 ekin = 2.35599553488279 | erot = 2.6817144021742 | epot = -19.2270773719362 | etot = -14.1893674348792 -964000 ekin = 2.25219457310711 | erot = 2.53224426940242 | epot = -19.0939126804605 | etot = -14.309473837951 -965000 ekin = 2.15172115406625 | erot = 2.5074263640058 | epot = -18.9655401098707 | etot = -14.3063925917986 -966000 ekin = 2.08836430745346 | erot = 2.10683533981445 | epot = -18.8740473984177 | etot = -14.6788477511498 -967000 ekin = 2.12576981405844 | erot = 2.10554977010184 | epot = -18.8222969563416 | etot = -14.5909773721813 -968000 ekin = 2.12924016899234 | erot = 1.91970464113304 | epot = -18.8304973626992 | etot = -14.7815525525738 -969000 ekin = 2.1744253034851 | erot = 2.16512140090506 | epot = -18.8673529233365 | etot = -14.5278062189463 -970000 ekin = 2.18162741265382 | erot = 2.2450862581363 | epot = -18.9283529594566 | etot = -14.5016392886665 -971000 ekin = 2.1872176318087 | erot = 2.43353633304448 | epot = -19.0277599144665 | etot = -14.4070059496134 -972000 ekin = 2.27055464044586 | erot = 2.03487376489175 | epot = -19.1290866187785 | etot = -14.8236582134409 -973000 ekin = 2.33904004605626 | erot = 2.15183928912462 | epot = -19.236661180688 | etot = -14.7457818455071 -974000 ekin = 2.4184780784401 | erot = 2.34438108784234 | epot = -19.363118432485 | etot = -14.6002592662026 -975000 ekin = 2.46206146488029 | erot = 2.35624199281868 | epot = -19.4736098152928 | etot = -14.6553063575938 -976000 ekin = 2.52456876946494 | erot = 2.27614398265605 | epot = -19.5649915573495 | etot = -14.7642788052285 -977000 ekin = 2.60637564524354 | erot = 2.0709370581174 | epot = -19.6101874123253 | etot = -14.9328747089644 -978000 ekin = 2.61064269721012 | erot = 2.07202524510603 | epot = -19.629445129702 | etot = -14.9467771873859 -979000 ekin = 2.55561169069455 | erot = 2.18920140876201 | epot = -19.6166445363163 | etot = -14.8718314368598 -980000 ekin = 2.56864273287448 | erot = 2.03395631393317 | epot = -19.6174963338761 | etot = -15.0148972870685 -981000 ekin = 2.66191070196827 | erot = 2.16659095907662 | epot = -19.6250525963019 | etot = -14.796550935257 -982000 ekin = 2.61731281327832 | erot = 2.24698893274267 | epot = -19.5974740187255 | etot = -14.7331722727045 -983000 ekin = 2.54225454915894 | erot = 2.48926874093348 | epot = -19.574589405176 | etot = -14.5430661150836 -984000 ekin = 2.50737950403369 | erot = 3.03624865807153 | epot = -19.5602814074028 | etot = -14.0166532452976 -985000 ekin = 2.4152528155718 | erot = 2.79336029081699 | epot = -19.5475069203678 | etot = -14.338893813979 -986000 ekin = 2.43517645380153 | erot = 2.71437828234941 | epot = -19.5659718124285 | etot = -14.4164170762775 -987000 ekin = 2.43635014041239 | erot = 2.70440060167985 | epot = -19.6117703785916 | etot = -14.4710196364993 -988000 ekin = 2.47223137990792 | erot = 3.04012548433553 | epot = -19.6728653378115 | etot = -14.1605084735681 -989000 ekin = 2.57461282782935 | erot = 2.65740086918251 | epot = -19.7180658550368 | etot = -14.4860521580249 -990000 ekin = 2.67359097736954 | erot = 2.60446843961488 | epot = -19.7676266504478 | etot = -14.4895672334633 -991000 ekin = 2.70426688173755 | erot = 2.7885730625978 | epot = -19.8289708825354 | etot = -14.3361309382 -992000 ekin = 2.77048904951462 | erot = 3.05066231165514 | epot = -19.9192662402538 | etot = -14.098114879084 -993000 ekin = 2.82958876080153 | erot = 2.65444369525357 | epot = -20.003093866259 | etot = -14.5190614102039 -994000 ekin = 2.90170601691379 | erot = 2.65673610083181 | epot = -20.0686975144619 | etot = -14.5102553967163 -995000 ekin = 3.03287923230155 | erot = 2.4030603061795 | epot = -20.1412612654696 | etot = -14.7053217269886 -996000 ekin = 3.01357004889798 | erot = 1.93970518668622 | epot = -20.2209046421976 | etot = -15.2676294066134 -997000 ekin = 3.16382267303453 | erot = 2.09671009945294 | epot = -20.2929309039614 | etot = -15.0323981314739 -998000 ekin = 3.20277399494172 | erot = 2.11561017239343 | epot = -20.3495982469412 | etot = -15.031214079606 -999000 ekin = 3.17166482809408 | erot = 2.14572404428889 | epot = -20.3850372708089 | etot = -15.0676483984259 -1000000 ekin = 3.19306217159923 | erot = 2.4662195338148 | epot = -20.4393210047148 | etot = -14.7800392993008 - 1000000 0.14191387 -1.3172305 0.039772926 -1.0778912 3.1162031e-05 64000 -Loop time of 26.6858 on 4 procs for 1000000 steps with 16 atoms - -Performance: 32376.758 tau/day, 37473.099 timesteps/s -99.3% CPU use with 4 MPI tasks x no OpenMP threads - -MPI task timing breakdown: -Section | min time | avg time | max time |%varavg| %total ---------------------------------------------------------------- -Pair | 14.528 | 16.117 | 17.521 | 33.5 | 60.39 -Bond | 0.3756 | 0.45654 | 0.49823 | 7.2 | 1.71 -Neigh | 0.011905 | 0.011947 | 0.011963 | 0.0 | 0.04 -Comm | 2.5182 | 2.6398 | 2.7955 | 7.0 | 9.89 -Output | 0.11297 | 0.11799 | 0.1276 | 1.7 | 0.44 -Modify | 1.4585 | 1.5893 | 1.7174 | 8.8 | 5.96 -Other | | 5.754 | | | 21.56 - -Nlocal: 4.00000 ave 5 max 3 min -Histogram: 2 0 0 0 0 0 0 0 0 2 -Nghost: 12.0000 ave 13 max 11 min -Histogram: 2 0 0 0 0 0 0 0 0 2 -Neighs: 49.5000 ave 60 max 39 min -Histogram: 2 0 0 0 0 0 0 0 0 2 - -Total # of neighbors = 198 -Ave neighs/atom = 12.375000 -Ave special neighs/atom = 3.7500000 -Neighbor list builds = 1000 -Dangerous builds = 0 - -write_data last_config.${number}.* nocoeff -write_data last_config.2.* nocoeff -System init for write_data ... -Total wall time: 0:00:26 diff --git a/examples/PACKAGES/cgdna/examples/oxDNA2/duplex2/log.2Jul21.duplex2.g++.1 b/examples/PACKAGES/cgdna/examples/oxDNA2/duplex2/log.2Jul21.duplex2.g++.1 new file mode 100644 index 0000000000..ba05c783fb --- /dev/null +++ b/examples/PACKAGES/cgdna/examples/oxDNA2/duplex2/log.2Jul21.duplex2.g++.1 @@ -0,0 +1,1183 @@ +LAMMPS (2 Jul 2021) +variable number equal 2 +variable ofreq equal 1000 +variable efreq equal 1000 +variable T equal 0.1 +variable rhos equal 0.2 + +units lj + +dimension 3 + +newton on + +boundary p p p + +atom_style hybrid bond ellipsoid oxdna +WARNING: Atom style hybrid defines both, per-type and per-atom masses; both must be set, but only per-atom masses will be used (../atom_vec_hybrid.cpp:157) +atom_modify sort 0 1.0 + +# Pair interactions require lists of neighbours to be calculated +neighbor 2.0 bin +neigh_modify every 1 delay 0 check yes + +read_data data.duplex2 +Reading data file ... + orthogonal box = (-20.000000 -20.000000 -20.000000) to (20.000000 20.000000 20.000000) + 1 by 1 by 1 MPI processor grid + reading atoms ... + 16 atoms + reading velocities ... + 16 velocities + scanning bonds ... + 1 = max bonds/atom + 16 ellipsoids + reading bonds ... + 13 bonds +Finding 1-2 1-3 1-4 neighbors ... + special bond factors lj: 0 0 0 + special bond factors coul: 0 0 0 + 2 = max # of 1-2 neighbors + 2 = max # of 1-3 neighbors + 4 = max # of 1-4 neighbors + 6 = max # of special neighbors + special bonds CPU = 0.000 seconds + read_data CPU = 0.003 seconds + +set atom * mass 3.1575 +Setting atom values ... + 16 settings made for mass + +group all type 1 4 +16 atoms in group all + +# oxDNA2 bond interactions - FENE backbone +bond_style oxdna2/fene +bond_coeff * 2.0 0.25 0.7564 +special_bonds lj 0 1 1 +Finding 1-2 1-3 1-4 neighbors ... + special bond factors lj: 0 1 1 + special bond factors coul: 0 0 0 + 2 = max # of 1-2 neighbors + 2 = max # of 1-3 neighbors + 4 = max # of 1-4 neighbors + 6 = max # of special neighbors + special bonds CPU = 0.000 seconds + +# oxDNA2 pair interactions +pair_style hybrid/overlay oxdna2/excv oxdna2/stk oxdna2/hbond oxdna2/xstk oxdna2/coaxstk oxdna2/dh +pair_coeff * * oxdna2/excv 2.0 0.7 0.675 2.0 0.515 0.5 2.0 0.33 0.32 +pair_coeff * * oxdna2/stk seqav ${T} 1.3523 2.6717 6.0 0.4 0.9 0.32 0.75 1.3 0 0.8 0.9 0 0.95 0.9 0 0.95 2.0 0.65 2.0 0.65 +pair_coeff * * oxdna2/stk seqav 0.1 1.3523 2.6717 6.0 0.4 0.9 0.32 0.75 1.3 0 0.8 0.9 0 0.95 0.9 0 0.95 2.0 0.65 2.0 0.65 +pair_coeff * * oxdna2/hbond seqav 0.0 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 +pair_coeff 1 4 oxdna2/hbond seqav 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 +pair_coeff 2 3 oxdna2/hbond seqav 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 +pair_coeff * * oxdna2/xstk 47.5 0.575 0.675 0.495 0.655 2.25 0.791592653589793 0.58 1.7 1.0 0.68 1.7 1.0 0.68 1.5 0 0.65 1.7 0.875 0.68 1.7 0.875 0.68 +pair_coeff * * oxdna2/coaxstk 58.5 0.4 0.6 0.22 0.58 2.0 2.891592653589793 0.65 1.3 0 0.8 0.9 0 0.95 0.9 0 0.95 40.0 3.116592653589793 +pair_coeff * * oxdna2/dh ${T} ${rhos} 0.815 +pair_coeff * * oxdna2/dh 0.1 ${rhos} 0.815 +pair_coeff * * oxdna2/dh 0.1 0.2 0.815 + +# NVE ensemble +fix 1 all nve/asphere +fix 2 all langevin ${T} ${T} 2.5 457145 angmom 10 +fix 2 all langevin 0.1 ${T} 2.5 457145 angmom 10 +fix 2 all langevin 0.1 0.1 2.5 457145 angmom 10 + +timestep 1e-5 + +#comm_style tiled +fix 3 all balance 1000 1.03 shift xyz 10 1.03 +comm_modify cutoff 3.8 + +compute quat all property/atom quatw quati quatj quatk + +compute erot all erotate/asphere +compute ekin all ke +compute epot all pe +variable erot equal c_erot +variable ekin equal c_ekin +variable epot equal c_epot +variable etot equal c_erot+c_ekin+c_epot +fix 5 all print ${efreq} "$(step) ekin = ${ekin} | erot = ${erot} | epot = ${epot} | etot = ${etot}" screen yes +fix 5 all print 1000 "$(step) ekin = ${ekin} | erot = ${erot} | epot = ${epot} | etot = ${etot}" screen yes + +dump out all custom ${ofreq} out.${number}.lammpstrj id mol type x y z ix iy iz vx vy vz c_quat[1] c_quat[2] c_quat[3] c_quat[4] angmomx angmomy angmomz +dump out all custom 1000 out.${number}.lammpstrj id mol type x y z ix iy iz vx vy vz c_quat[1] c_quat[2] c_quat[3] c_quat[4] angmomx angmomy angmomz +dump out all custom 1000 out.2.lammpstrj id mol type x y z ix iy iz vx vy vz c_quat[1] c_quat[2] c_quat[3] c_quat[4] angmomx angmomy angmomz +dump_modify out sort id +dump_modify out format line "%d %d %d %22.15le %22.15le %22.15le %d %d %d %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le" + +run 1000000 +Neighbor list info ... + update every 1 steps, delay 0 steps, check yes + max neighbors/atom: 2000, page size: 100000 + master list distance cutoff = 5.6389877 + ghost atom cutoff = 5.6389877 + binsize = 2.8194939, bins = 15 15 15 + 5 neighbor lists, perpetual/occasional/extra = 5 0 0 + (1) pair oxdna2/excv, perpetual + attributes: half, newton on + pair build: half/bin/newton + stencil: half/bin/3d + bin: standard + (2) pair oxdna2/hbond, perpetual, copy from (1) + attributes: half, newton on + pair build: copy + stencil: none + bin: none + (3) pair oxdna2/xstk, perpetual, copy from (1) + attributes: half, newton on + pair build: copy + stencil: none + bin: none + (4) pair oxdna2/coaxstk, perpetual, copy from (1) + attributes: half, newton on + pair build: copy + stencil: none + bin: none + (5) pair oxdna2/dh, perpetual, copy from (1) + attributes: half, newton on + pair build: copy + stencil: none + bin: none +WARNING: Communication cutoff adjusted to 5.638987723814632 (../comm.cpp:739) +0 ekin = 2.70475393009871 | erot = 2.80172072918779 | epot = -21.0482852787267 | etot = -15.5418106194402 +Per MPI rank memory allocation (min/avg/max) = 9.325 | 9.325 | 9.325 Mbytes +Step Temp E_pair E_mol TotEng Press Volume + 0 0.12021129 -1.3610384 0.045520537 -1.1464707 5.9660461e-05 64000 +1000 ekin = 2.70391570439002 | erot = 2.60396138194761 | epot = -20.892587006041 | etot = -15.5847099197034 +2000 ekin = 2.64635320949975 | erot = 2.53579824187029 | epot = -20.7791695875995 | etot = -15.5970181362294 +3000 ekin = 2.69752120400807 | erot = 2.55180306746824 | epot = -20.7137659040141 | etot = -15.4644416325378 +4000 ekin = 2.6538821444735 | erot = 2.47641299322465 | epot = -20.679411997643 | etot = -15.5491168599449 +5000 ekin = 2.60025466050757 | erot = 2.2039059393524 | epot = -20.6560408696723 | etot = -15.8518802698123 +6000 ekin = 2.46901398821906 | erot = 2.47310200487734 | epot = -20.6350989412901 | etot = -15.6929829481937 +7000 ekin = 2.51574664182366 | erot = 2.31213437386206 | epot = -20.6631357493118 | etot = -15.835254733626 +8000 ekin = 2.59690047628267 | erot = 2.32317845363664 | epot = -20.7152959922884 | etot = -15.7952170623691 +9000 ekin = 2.48618631858407 | erot = 2.08285633125495 | epot = -20.7950725844518 | etot = -16.2260299346128 +10000 ekin = 2.52115116499232 | erot = 2.20106084795616 | epot = -20.8992442032706 | etot = -16.1770321903222 +11000 ekin = 2.43147539619193 | erot = 2.42927619785951 | epot = -21.0249867006789 | etot = -16.1642351066275 +12000 ekin = 2.45333761568574 | erot = 2.525603071611 | epot = -21.1588492672088 | etot = -16.1799085799121 +13000 ekin = 2.53951720462341 | erot = 2.74654877006482 | epot = -21.2655112796489 | etot = -15.9794453049606 +14000 ekin = 2.52874823012217 | erot = 3.01239544645662 | epot = -21.3374765197331 | etot = -15.7963328431543 +15000 ekin = 2.63126849733541 | erot = 2.75804260501317 | epot = -21.3622375137171 | etot = -15.9729264113685 +16000 ekin = 2.53351081020592 | erot = 2.95152401468654 | epot = -21.3358982910482 | etot = -15.8508634661558 +17000 ekin = 2.57894891181703 | erot = 3.20567182477324 | epot = -21.2708322188654 | etot = -15.4862114822752 +18000 ekin = 2.48912656009906 | erot = 3.305144217587 | epot = -21.185496468772 | etot = -15.391225691086 +19000 ekin = 2.54963746369463 | erot = 3.12775559702558 | epot = -21.0796045258341 | etot = -15.4022114651139 +20000 ekin = 2.70343028147048 | erot = 3.48245634539093 | epot = -20.9620878080506 | etot = -14.7762011811892 +21000 ekin = 2.7400837598076 | erot = 3.493409766499 | epot = -20.8605728519254 | etot = -14.6270793256188 +22000 ekin = 2.70619491966167 | erot = 3.39094503970532 | epot = -20.7832212738354 | etot = -14.6860813144684 +23000 ekin = 2.7697757193537 | erot = 2.96919161110178 | epot = -20.7244407619744 | etot = -14.9854734315189 +24000 ekin = 2.70661582607971 | erot = 2.73688112318632 | epot = -20.7053645378039 | etot = -15.2618675885378 +25000 ekin = 2.68754636497145 | erot = 2.61416599169547 | epot = -20.7064779461664 | etot = -15.4047655894994 +26000 ekin = 2.73235500408328 | erot = 2.73313459064974 | epot = -20.7277379348113 | etot = -15.2622483400783 +27000 ekin = 2.8077624395387 | erot = 2.57060961199337 | epot = -20.7536767854921 | etot = -15.3753047339601 +28000 ekin = 2.72026602469299 | erot = 2.48773762184115 | epot = -20.7972439765033 | etot = -15.5892403299691 +29000 ekin = 2.74993250614264 | erot = 2.4362001954172 | epot = -20.8845224755543 | etot = -15.6983897739944 +30000 ekin = 2.84727011110435 | erot = 2.55872515142543 | epot = -21.0029391367955 | etot = -15.5969438742657 +31000 ekin = 2.9373105145775 | erot = 2.68538653493625 | epot = -21.1441658724037 | etot = -15.52146882289 +32000 ekin = 3.11483472271263 | erot = 2.71833221771894 | epot = -21.3009630690853 | etot = -15.4677961286537 +33000 ekin = 3.42015689623702 | erot = 3.01186958829681 | epot = -21.4445354747605 | etot = -15.0125089902267 +34000 ekin = 3.4571497053447 | erot = 3.34699175671052 | epot = -21.5750227937594 | etot = -14.7708813317042 +35000 ekin = 3.49497749393851 | erot = 3.14001434352617 | epot = -21.6604994386103 | etot = -15.0255076011457 +36000 ekin = 3.47204675153372 | erot = 2.84774400732494 | epot = -21.6891867301232 | etot = -15.3693959712646 +37000 ekin = 3.44180301616544 | erot = 2.56259280720516 | epot = -21.6709924941777 | etot = -15.6665966708071 +38000 ekin = 3.54821034228965 | erot = 2.44212751582536 | epot = -21.6265094810358 | etot = -15.6361716229208 +39000 ekin = 3.46871818671429 | erot = 2.39960208230661 | epot = -21.5379795382885 | etot = -15.6696592692676 +40000 ekin = 3.39697091933591 | erot = 2.06928828303171 | epot = -21.4180869184492 | etot = -15.9518277160816 +41000 ekin = 3.34648089211938 | erot = 2.10977053447759 | epot = -21.3088504303421 | etot = -15.8525990037452 +42000 ekin = 3.14017175730784 | erot = 2.61712762297436 | epot = -21.2075302208961 | etot = -15.4502308406139 +43000 ekin = 3.0541271305486 | erot = 2.16422672116187 | epot = -21.1026514185807 | etot = -15.8842975668702 +44000 ekin = 2.85636525492286 | erot = 2.23456154398502 | epot = -21.0187138708967 | etot = -15.9277870719889 +45000 ekin = 2.71017763793136 | erot = 2.20442798009884 | epot = -20.9688571562277 | etot = -16.0542515381975 +46000 ekin = 2.80228666966609 | erot = 2.3691206574228 | epot = -20.9221917036257 | etot = -15.7507843765369 +47000 ekin = 2.68398029783778 | erot = 2.30787382180577 | epot = -20.9147956898556 | etot = -15.922941570212 +48000 ekin = 2.60361639221643 | erot = 2.16759706121358 | epot = -20.9378819526189 | etot = -16.1666684991889 +49000 ekin = 2.69879527332656 | erot = 1.95331370371646 | epot = -20.9793801292352 | etot = -16.3272711521921 +50000 ekin = 2.78297818082637 | erot = 1.73866705563715 | epot = -21.0239873291857 | etot = -16.5023420927222 +51000 ekin = 2.79226298145992 | erot = 1.75750015205399 | epot = -21.0591817365136 | etot = -16.5094186029996 +52000 ekin = 2.93778678358836 | erot = 2.05248025310421 | epot = -21.1000263829064 | etot = -16.1097593462138 +53000 ekin = 2.93047021956224 | erot = 2.21318598351599 | epot = -21.1408129057595 | etot = -15.9971567026812 +54000 ekin = 2.95313738597263 | erot = 2.20797346738787 | epot = -21.1830307851601 | etot = -16.0219199317996 +55000 ekin = 2.98703149924483 | erot = 2.36965734625007 | epot = -21.2448833674046 | etot = -15.8881945219097 +56000 ekin = 2.99188476268835 | erot = 2.35374933057429 | epot = -21.3017374555428 | etot = -15.9561033622801 +57000 ekin = 3.04248410594252 | erot = 2.10923890188227 | epot = -21.3362725295754 | etot = -16.1845495217507 +58000 ekin = 2.98235297495938 | erot = 2.13409247728305 | epot = -21.3593231655095 | etot = -16.2428777132671 +59000 ekin = 2.91016949839296 | erot = 2.36822905479348 | epot = -21.3622398255744 | etot = -16.083841272388 +60000 ekin = 2.97250779202342 | erot = 2.54263250726513 | epot = -21.3342690818056 | etot = -15.8191287825171 +61000 ekin = 2.96790668494248 | erot = 2.48996902731655 | epot = -21.2724803895842 | etot = -15.8146046773252 +62000 ekin = 2.94610606099048 | erot = 2.18201665175963 | epot = -21.187919461435 | etot = -16.0597967486849 +63000 ekin = 3.0271214705261 | erot = 2.16093889178584 | epot = -21.096658489144 | etot = -15.9085981268321 +64000 ekin = 3.20886369209213 | erot = 2.06931440640059 | epot = -21.0569971647532 | etot = -15.7788190662604 +65000 ekin = 3.22349334555752 | erot = 1.93510092297445 | epot = -21.0349289183418 | etot = -15.8763346498098 +66000 ekin = 3.10418207507129 | erot = 1.94339370515853 | epot = -21.051745388243 | etot = -16.0041696080131 +67000 ekin = 3.12595764700019 | erot = 2.29857726165623 | epot = -21.10762065855 | etot = -15.6830857498936 +68000 ekin = 2.99981867339099 | erot = 2.04147368191603 | epot = -21.181198697827 | etot = -16.13990634252 +69000 ekin = 2.93860333642775 | erot = 2.09583398354869 | epot = -21.2548061558295 | etot = -16.2203688358531 +70000 ekin = 2.9486279695994 | erot = 2.02427035214611 | epot = -21.3225756079773 | etot = -16.3496772862318 +71000 ekin = 2.95485075626806 | erot = 1.98046752535274 | epot = -21.3931478839351 | etot = -16.4578296023143 +72000 ekin = 3.0308352187065 | erot = 1.64033628981958 | epot = -21.468068089369 | etot = -16.7968965808429 +73000 ekin = 3.20193349232367 | erot = 1.82676041495789 | epot = -21.5301957695023 | etot = -16.5015018622208 +74000 ekin = 3.22662444253103 | erot = 1.89227240506012 | epot = -21.5643738418553 | etot = -16.4454769942641 +75000 ekin = 3.28911018830883 | erot = 1.89872323449657 | epot = -21.5810306648803 | etot = -16.3931972420749 +76000 ekin = 3.29558374515743 | erot = 1.87444557500027 | epot = -21.5642338211322 | etot = -16.3942045009745 +77000 ekin = 3.54018909072085 | erot = 1.75729076536995 | epot = -21.5044360245146 | etot = -16.2069561684238 +78000 ekin = 3.54291076978592 | erot = 1.76974361090023 | epot = -21.4006101697986 | etot = -16.0879557891125 +79000 ekin = 3.54987455874821 | erot = 1.91515152695039 | epot = -21.2526696681999 | etot = -15.7876435825013 +80000 ekin = 3.44554692397033 | erot = 1.55785077520358 | epot = -21.1041761178578 | etot = -16.1007784186839 +81000 ekin = 3.39041332540007 | erot = 1.45777024027678 | epot = -20.9764951390216 | etot = -16.1283115733447 +82000 ekin = 3.28164787796656 | erot = 1.38380348431304 | epot = -20.899509162344 | etot = -16.2340578000644 +83000 ekin = 3.27119946746379 | erot = 1.61635220758898 | epot = -20.8682969771061 | etot = -15.9807453020534 +84000 ekin = 3.23767018514775 | erot = 1.58136727778774 | epot = -20.8558733748386 | etot = -16.0368359119031 +85000 ekin = 3.19513864200058 | erot = 1.6431910885888 | epot = -20.8419968518707 | etot = -16.0036671212813 +86000 ekin = 3.24896357270198 | erot = 1.89522046055135 | epot = -20.832806633325 | etot = -15.6886226000717 +87000 ekin = 3.13174021654823 | erot = 1.94306423894159 | epot = -20.8481262288118 | etot = -15.773321773322 +88000 ekin = 3.11122085279115 | erot = 1.78724048339196 | epot = -20.9059531901008 | etot = -16.0074918539177 +89000 ekin = 3.08381661724969 | erot = 1.63584870500641 | epot = -20.9715808309547 | etot = -16.2519155086986 +90000 ekin = 3.20313125753903 | erot = 1.94895881894579 | epot = -21.0671915523152 | etot = -15.9151014758304 +91000 ekin = 3.14651785772312 | erot = 2.26271277860547 | epot = -21.1780568094305 | etot = -15.768826173102 +92000 ekin = 3.23402739820373 | erot = 2.38502646372719 | epot = -21.3058699018424 | etot = -15.6868160399115 +93000 ekin = 3.27864277718335 | erot = 2.22426372598661 | epot = -21.4112218809901 | etot = -15.9083153778202 +94000 ekin = 3.31438607736509 | erot = 2.13604324487186 | epot = -21.5023579935933 | etot = -16.0519286713564 +95000 ekin = 3.27323012344947 | erot = 2.38178684388532 | epot = -21.6160955797709 | etot = -15.9610786124361 +96000 ekin = 3.22326707535017 | erot = 2.54544679505647 | epot = -21.7318191046087 | etot = -15.963105234202 +97000 ekin = 3.23424306839042 | erot = 2.64153427684315 | epot = -21.8458536800775 | etot = -15.9700763348439 +98000 ekin = 3.20883333988349 | erot = 2.67043755850081 | epot = -21.9495446261421 | etot = -16.0702737277578 +99000 ekin = 3.11663851643525 | erot = 2.90733596256664 | epot = -22.0486791427264 | etot = -16.0247046637246 +100000 ekin = 3.03264321501914 | erot = 2.96946233520285 | epot = -22.1457931713674 | etot = -16.1436876211454 +101000 ekin = 2.95046281913209 | erot = 2.88464070608079 | epot = -22.2018281755496 | etot = -16.3667246503367 +102000 ekin = 2.85487641720306 | erot = 3.1835231149768 | epot = -22.1945156997857 | etot = -16.1561161676059 +103000 ekin = 2.83556367487533 | erot = 3.10626911100577 | epot = -22.1286684506118 | etot = -16.1868356647307 +104000 ekin = 2.74206313561178 | erot = 2.764695345083 | epot = -22.0370967342096 | etot = -16.5303382535148 +105000 ekin = 2.68691210569746 | erot = 2.43510424243733 | epot = -21.9227484953522 | etot = -16.8007321472174 +106000 ekin = 2.563230657111 | erot = 2.04976251036808 | epot = -21.8252352950753 | etot = -17.2122421275962 +107000 ekin = 2.45282193090838 | erot = 2.35578840258503 | epot = -21.7394205256344 | etot = -16.930810192141 +108000 ekin = 2.53861743899987 | erot = 2.41441398228763 | epot = -21.6772620188416 | etot = -16.7242305975541 +109000 ekin = 2.47502081207091 | erot = 2.24593310938325 | epot = -21.6325689491034 | etot = -16.9116150276492 +110000 ekin = 2.50321333342882 | erot = 1.86407174946134 | epot = -21.6221361025481 | etot = -17.2548510196579 +111000 ekin = 2.55274947911861 | erot = 1.9335199844403 | epot = -21.6424359547629 | etot = -17.156166491204 +112000 ekin = 2.57554816024176 | erot = 1.85965001180022 | epot = -21.6646307305487 | etot = -17.2294325585067 +113000 ekin = 2.58422184546734 | erot = 1.66612606594662 | epot = -21.6825320885557 | etot = -17.4321841771417 +114000 ekin = 2.63767451071977 | erot = 1.86651684228485 | epot = -21.6875711888383 | etot = -17.1833798358337 +115000 ekin = 2.55850869288988 | erot = 1.95479352013929 | epot = -21.7088690741549 | etot = -17.1955668611257 +116000 ekin = 2.59960484914043 | erot = 1.98515359639087 | epot = -21.7399246709689 | etot = -17.1551662254376 +117000 ekin = 2.6364636182488 | erot = 2.15859263253907 | epot = -21.7790865447414 | etot = -16.9840302939536 +118000 ekin = 2.6722112411998 | erot = 2.07625368130399 | epot = -21.8132075002146 | etot = -17.0647425777108 +119000 ekin = 2.9108516764533 | erot = 1.98818490836516 | epot = -21.8375717289926 | etot = -16.9385351441741 +120000 ekin = 2.93975077154826 | erot = 1.99854094901663 | epot = -21.8494362428877 | etot = -16.9111445223229 +121000 ekin = 3.04700503953791 | erot = 2.15191677123407 | epot = -21.8526361044102 | etot = -16.6537142936382 +122000 ekin = 3.01970065630796 | erot = 2.09092735340917 | epot = -21.8688746811131 | etot = -16.7582466713959 +123000 ekin = 2.9930939614465 | erot = 1.76972828030715 | epot = -21.9045561644836 | etot = -17.14173392273 +124000 ekin = 2.96321679602912 | erot = 1.96464026140171 | epot = -21.9325819137337 | etot = -17.0047248563029 +125000 ekin = 2.98312575423879 | erot = 1.6459259375459 | epot = -21.9608904634477 | etot = -17.331838771663 +126000 ekin = 2.99097949215575 | erot = 1.75618745760134 | epot = -22.009758319428 | etot = -17.2625913696709 +127000 ekin = 3.04267424627598 | erot = 1.84781956231792 | epot = -22.0474977427294 | etot = -17.1570039341355 +128000 ekin = 3.16299477926061 | erot = 1.98570527937047 | epot = -22.1060844986599 | etot = -16.9573844400289 +129000 ekin = 3.16426696344668 | erot = 1.97746137640526 | epot = -22.1606468653278 | etot = -17.0189185254759 +130000 ekin = 3.09082575381668 | erot = 2.52059065203422 | epot = -22.1892702662505 | etot = -16.5778538603996 +131000 ekin = 3.04363359740037 | erot = 2.76905383223605 | epot = -22.1941284862536 | etot = -16.3814410566172 +132000 ekin = 2.97799249868516 | erot = 2.58737442779091 | epot = -22.1487985926417 | etot = -16.5834316661656 +133000 ekin = 3.03410219436435 | erot = 2.49151216637025 | epot = -22.0390476094715 | etot = -16.5134332487369 +134000 ekin = 2.97290518441651 | erot = 2.2795598062273 | epot = -21.9043568760917 | etot = -16.6518918854479 +135000 ekin = 2.97882125899838 | erot = 2.36516672946397 | epot = -21.7588924186334 | etot = -16.4149044301711 +136000 ekin = 3.06225054874148 | erot = 1.85004987442537 | epot = -21.6100365266532 | etot = -16.6977361034863 +137000 ekin = 3.03515949013347 | erot = 1.79133727158631 | epot = -21.4833056014437 | etot = -16.6568088397239 +138000 ekin = 2.9835998684383 | erot = 1.95427111240579 | epot = -21.3692118882268 | etot = -16.4313409073827 +139000 ekin = 3.0063875676428 | erot = 1.75390651791802 | epot = -21.2771971161582 | etot = -16.5169030305974 +140000 ekin = 2.98301520290208 | erot = 1.55293456918089 | epot = -21.2082582422558 | etot = -16.6723084701728 +141000 ekin = 2.8734196918037 | erot = 1.62004287774014 | epot = -21.1593315472341 | etot = -16.6658689776903 +142000 ekin = 2.77198594269102 | erot = 1.82883994332513 | epot = -21.1253786225533 | etot = -16.5245527365371 +143000 ekin = 2.66544385214382 | erot = 1.70763016025286 | epot = -21.1194742186353 | etot = -16.7464002062387 +144000 ekin = 2.64364564452769 | erot = 2.02089778883353 | epot = -21.1558312252306 | etot = -16.4912877918693 +145000 ekin = 2.58320561695123 | erot = 2.33928617610564 | epot = -21.1972194246105 | etot = -16.2747276315536 +146000 ekin = 2.59582465616999 | erot = 2.3913910079826 | epot = -21.2181779484858 | etot = -16.2309622843332 +147000 ekin = 2.57433616776238 | erot = 2.62068830532507 | epot = -21.2035776919776 | etot = -16.0085532188901 +148000 ekin = 2.66661322554065 | erot = 2.64858494989759 | epot = -21.1567312792458 | etot = -15.8415331038076 +149000 ekin = 2.60767807433559 | erot = 2.24435345528447 | epot = -21.1005834026183 | etot = -16.2485518729982 +150000 ekin = 2.54139526377883 | erot = 2.28883985685599 | epot = -21.0349331020295 | etot = -16.2046979813947 +151000 ekin = 2.5432219413665 | erot = 2.35864839828536 | epot = -20.9724639116438 | etot = -16.0705935719919 +152000 ekin = 2.56796491103012 | erot = 2.43023333349202 | epot = -20.9157846601099 | etot = -15.9175864155878 +153000 ekin = 2.51372807626571 | erot = 2.39277188889798 | epot = -20.8708281017583 | etot = -15.9643281365946 +154000 ekin = 2.56425050300779 | erot = 2.55681269376811 | epot = -20.8208061897131 | etot = -15.6997429929373 +155000 ekin = 2.54836883214878 | erot = 2.77382882086472 | epot = -20.7512322840953 | etot = -15.4290346310818 +156000 ekin = 2.50430341115576 | erot = 2.84536424459363 | epot = -20.6831823234819 | etot = -15.3335146677325 +157000 ekin = 2.50400336317688 | erot = 2.74300988092699 | epot = -20.6024983277716 | etot = -15.3554850836678 +158000 ekin = 2.46635677816819 | erot = 2.72725266952981 | epot = -20.3927742179115 | etot = -15.1991647702135 +159000 ekin = 2.41243392896928 | erot = 2.89017327284196 | epot = -20.3716899613963 | etot = -15.069082759585 +160000 ekin = 2.44543789794338 | erot = 2.94805496717089 | epot = -20.5757394278759 | etot = -15.1822465627616 +161000 ekin = 2.48584882392466 | erot = 3.08550000043076 | epot = -20.7243276115622 | etot = -15.1529787872068 +162000 ekin = 2.63092470794183 | erot = 2.8491277718568 | epot = -20.8061639431945 | etot = -15.3261114633959 +163000 ekin = 2.72019716465021 | erot = 2.95674331723642 | epot = -20.9203905101818 | etot = -15.2434500282951 +164000 ekin = 2.85144745755517 | erot = 2.79837544407218 | epot = -21.0599208441751 | etot = -15.4100979425478 +165000 ekin = 3.01926698163447 | erot = 2.57598017599253 | epot = -21.2160748663889 | etot = -15.6208277087619 +166000 ekin = 3.15975032902628 | erot = 2.53424140536866 | epot = -21.3722197077628 | etot = -15.6782279733678 +167000 ekin = 3.28010263683412 | erot = 2.66118639042418 | epot = -21.5168932797697 | etot = -15.5756042525114 +168000 ekin = 3.30088936113461 | erot = 2.6570801564169 | epot = -21.6596207437233 | etot = -15.7016512261718 +169000 ekin = 3.47029246215378 | erot = 2.25395751697315 | epot = -21.7742578136393 | etot = -16.0500078345124 +170000 ekin = 3.70050747267213 | erot = 2.16365167905452 | epot = -21.8748391459109 | etot = -16.0106799941843 +171000 ekin = 3.84839140735074 | erot = 1.87628165448694 | epot = -21.9555399182121 | etot = -16.2308668563744 +172000 ekin = 3.95026415662084 | erot = 1.96481352720165 | epot = -21.9987319268213 | etot = -16.0836542429988 +173000 ekin = 3.92397418949719 | erot = 2.1402486554568 | epot = -21.9962461659818 | etot = -15.9320233210278 +174000 ekin = 3.91787773957962 | erot = 2.15382550531676 | epot = -21.9649412516532 | etot = -15.8932380067568 +175000 ekin = 3.92478898493225 | erot = 1.81413864863455 | epot = -21.886058821032 | etot = -16.1471311874652 +176000 ekin = 3.61843418337262 | erot = 1.68410090365151 | epot = -21.7861032393839 | etot = -16.4835681523597 +177000 ekin = 3.43777437221669 | erot = 1.50869914434539 | epot = -21.6530103766414 | etot = -16.7065368600793 +178000 ekin = 3.29404805426684 | erot = 1.54702143204471 | epot = -21.5151124491371 | etot = -16.6740429628256 +179000 ekin = 3.15559273998197 | erot = 1.83461420036247 | epot = -21.3846264521169 | etot = -16.3944195117725 +180000 ekin = 3.11144262168972 | erot = 1.96187195470713 | epot = -21.2631791815958 | etot = -16.1898646051989 +181000 ekin = 2.86058839708624 | erot = 1.97916662782334 | epot = -21.1736204719049 | etot = -16.3338654469953 +182000 ekin = 2.73358163055363 | erot = 2.08235166110584 | epot = -21.1163854347033 | etot = -16.3004521430438 +183000 ekin = 2.78667823921494 | erot = 2.14955927554286 | epot = -21.0704997912635 | etot = -16.1342622765057 +184000 ekin = 2.74700284417945 | erot = 2.17568363892128 | epot = -21.0417241927555 | etot = -16.1190377096547 +185000 ekin = 2.71206700548405 | erot = 2.43154766133365 | epot = -21.0534073134643 | etot = -15.9097926466466 +186000 ekin = 2.70473969876215 | erot = 2.54763882184454 | epot = -21.0771037789774 | etot = -15.8247252583707 +187000 ekin = 2.69011328843065 | erot = 2.42677059090842 | epot = -21.1334063747328 | etot = -16.0165224953937 +188000 ekin = 2.63139574425889 | erot = 2.47663409366894 | epot = -21.2056416357499 | etot = -16.097611797822 +189000 ekin = 2.52625691649445 | erot = 2.36811030548791 | epot = -21.2763445168886 | etot = -16.3819772949062 +190000 ekin = 2.55070314102272 | erot = 2.46381370096652 | epot = -21.3751397733684 | etot = -16.3606229313791 +191000 ekin = 2.62917079754905 | erot = 2.67833301813017 | epot = -21.4532628428641 | etot = -16.1457590271849 +192000 ekin = 2.58870583923181 | erot = 3.04288815538947 | epot = -21.5216329873865 | etot = -15.8900389927652 +193000 ekin = 2.57473296407422 | erot = 2.98273386984086 | epot = -21.5752070232357 | etot = -16.0177401893207 +194000 ekin = 2.55188197567099 | erot = 3.53664565918049 | epot = -21.6029115846239 | etot = -15.5143839497724 +195000 ekin = 2.37005947654592 | erot = 3.88569194357652 | epot = -21.5199791042833 | etot = -15.2642276841609 +196000 ekin = 2.24643312652487 | erot = 3.89236383309535 | epot = -21.4290282307873 | etot = -15.2902312711671 +197000 ekin = 2.08212744149202 | erot = 3.73392747991439 | epot = -21.3909391389933 | etot = -15.5748842175869 +198000 ekin = 1.99546802101165 | erot = 3.31869767813113 | epot = -21.3106385880563 | etot = -15.9964728889135 +199000 ekin = 1.88808259694764 | erot = 3.05651027418447 | epot = -21.1932358978994 | etot = -16.2486430267673 +200000 ekin = 1.86182600189611 | erot = 3.12152068869523 | epot = -21.1112046099846 | etot = -16.1278579193933 +201000 ekin = 1.97052135402476 | erot = 2.56337970690565 | epot = -21.0818150370229 | etot = -16.5479139760925 +202000 ekin = 1.96444489641634 | erot = 2.52188298721402 | epot = -21.0909969362212 | etot = -16.6046690525908 +203000 ekin = 2.02727163636645 | erot = 2.40435818767017 | epot = -21.1422876293971 | etot = -16.7106578053605 +204000 ekin = 2.08583315864155 | erot = 2.40223613667972 | epot = -21.2224635405406 | etot = -16.7343942452193 +205000 ekin = 2.20775264966623 | erot = 2.45569503503469 | epot = -21.3216506287512 | etot = -16.6582029440503 +206000 ekin = 2.32525581144377 | erot = 2.44338569524376 | epot = -21.4263895154156 | etot = -16.6577480087281 +207000 ekin = 2.39884741653067 | erot = 2.19219588140532 | epot = -21.5586341308418 | etot = -16.9675908329058 +208000 ekin = 2.54174161331668 | erot = 2.0204308648262 | epot = -21.7018700931408 | etot = -17.1396976149979 +209000 ekin = 2.63460295202779 | erot = 2.00847282239007 | epot = -21.8765502984945 | etot = -17.2334745240767 +210000 ekin = 2.81803535020474 | erot = 2.15132327942402 | epot = -22.0655129469125 | etot = -17.0961543172837 +211000 ekin = 2.8544966933982 | erot = 2.00032723609075 | epot = -22.2569212397588 | etot = -17.4020973102698 +212000 ekin = 2.93298840099937 | erot = 2.18896574432212 | epot = -22.4295331026808 | etot = -17.3075789573593 +213000 ekin = 3.04393339596812 | erot = 2.16674803090446 | epot = -22.5865045861157 | etot = -17.3758231592431 +214000 ekin = 3.17687786434378 | erot = 1.93204604450799 | epot = -22.7049386266084 | etot = -17.5960147177566 +215000 ekin = 3.23140803215865 | erot = 1.91093387521926 | epot = -22.7702150399474 | etot = -17.6278731325695 +216000 ekin = 3.2321341050867 | erot = 1.86760943667555 | epot = -22.8077327389956 | etot = -17.7079891972333 +217000 ekin = 3.29951241617977 | erot = 1.99642477225946 | epot = -22.8230103446114 | etot = -17.5270731561722 +218000 ekin = 3.29737584458632 | erot = 1.96274603890206 | epot = -22.8136249789529 | etot = -17.5535030954645 +219000 ekin = 3.23565881897549 | erot = 1.94555976805405 | epot = -22.8103460409257 | etot = -17.6291274538961 +220000 ekin = 3.19248478951655 | erot = 2.14549715461575 | epot = -22.8135403395691 | etot = -17.4755583954368 +221000 ekin = 3.08489658572225 | erot = 2.35182511982449 | epot = -22.7936924594889 | etot = -17.3569707539422 +222000 ekin = 2.98911659742775 | erot = 2.24286093437224 | epot = -22.7593104849621 | etot = -17.5273329531621 +223000 ekin = 2.94028114747166 | erot = 2.45179850593562 | epot = -22.7094689680866 | etot = -17.3173893146793 +224000 ekin = 2.86327223103169 | erot = 2.45496570504129 | epot = -22.6840408073421 | etot = -17.3658028712691 +225000 ekin = 2.86217589447844 | erot = 2.64576978314389 | epot = -22.709459445995 | etot = -17.2015137683726 +226000 ekin = 2.8142175090877 | erot = 2.65054275980917 | epot = -22.7920788909686 | etot = -17.3273186220717 +227000 ekin = 2.76125022534707 | erot = 2.53291854231038 | epot = -22.8714022097528 | etot = -17.5772334420953 +228000 ekin = 2.78877138535082 | erot = 2.36581554390957 | epot = -22.9403431333366 | etot = -17.7857562040762 +229000 ekin = 2.72891406599702 | erot = 2.36761189849136 | epot = -22.9752057147159 | etot = -17.8786797502275 +230000 ekin = 2.73218055588378 | erot = 2.27179336612898 | epot = -22.9619591335889 | etot = -17.9579852115761 +231000 ekin = 2.7823830406074 | erot = 2.56004300399597 | epot = -22.90155406699 | etot = -17.5591280223866 +232000 ekin = 2.70574670734559 | erot = 2.20917728909279 | epot = -22.8024125768837 | etot = -17.8874885804453 +233000 ekin = 2.64840920464763 | erot = 2.10191715204315 | epot = -22.6817951010111 | etot = -17.9314687443204 +234000 ekin = 2.61941879874187 | erot = 1.89218225093214 | epot = -22.5506641543628 | etot = -18.0390631046888 +235000 ekin = 2.59340202709238 | erot = 1.81296941612961 | epot = -22.4559841307523 | etot = -18.0496126875304 +236000 ekin = 2.51387645324674 | erot = 1.87601834806566 | epot = -22.3602077365801 | etot = -17.9703129352677 +237000 ekin = 2.48697606976272 | erot = 1.88725598539924 | epot = -22.2423219253943 | etot = -17.8680898702323 +238000 ekin = 2.4616064489039 | erot = 1.69677740799999 | epot = -22.1532316635744 | etot = -17.9948478066705 +239000 ekin = 2.42201063037743 | erot = 1.70150164392291 | epot = -22.1281108141978 | etot = -18.0045985398974 +240000 ekin = 2.37084323379681 | erot = 1.98736224075244 | epot = -22.1423976045622 | etot = -17.7841921300129 +241000 ekin = 2.37738836540311 | erot = 2.31585984211782 | epot = -22.1830534944813 | etot = -17.4898052869604 +242000 ekin = 2.41676243464672 | erot = 2.55280142063506 | epot = -22.1811996624351 | etot = -17.2116358071533 +243000 ekin = 2.33148792530111 | erot = 2.76551405431882 | epot = -22.1959816056366 | etot = -17.0989796260167 +244000 ekin = 2.38360456402189 | erot = 2.74375775378605 | epot = -22.3530195137562 | etot = -17.2256571959482 +245000 ekin = 2.33752620010225 | erot = 2.63541001293098 | epot = -22.5037249285208 | etot = -17.5307887154876 +246000 ekin = 2.25775984192194 | erot = 2.49145900746147 | epot = -22.6039669429679 | etot = -17.8547480935845 +247000 ekin = 2.20328096321392 | erot = 2.51295988229219 | epot = -22.6897860502887 | etot = -17.9735452047826 +248000 ekin = 2.11215135404835 | erot = 2.38179652938609 | epot = -22.7654961945533 | etot = -18.2715483111189 +249000 ekin = 2.18103243553736 | erot = 2.12199506651676 | epot = -22.8086866218619 | etot = -18.5056591198078 +250000 ekin = 2.00642865007526 | erot = 2.13785268765979 | epot = -22.7981127674599 | etot = -18.6538314297248 +251000 ekin = 2.0081090206787 | erot = 2.15377771615689 | epot = -22.7541924896507 | etot = -18.5923057528151 +252000 ekin = 2.04967696381119 | erot = 2.10564030292916 | epot = -22.7175683002137 | etot = -18.5622510334734 +253000 ekin = 1.97178429049489 | erot = 2.56395759404194 | epot = -22.6833423138514 | etot = -18.1476004293146 +254000 ekin = 1.89998560000768 | erot = 2.76446346254018 | epot = -22.6525507394861 | etot = -17.9881016769382 +255000 ekin = 1.92358808504112 | erot = 2.8232180655232 | epot = -22.6339519254389 | etot = -17.8871457748746 +256000 ekin = 1.88537924827498 | erot = 2.39478935532049 | epot = -22.6063238269833 | etot = -18.3261552233879 +257000 ekin = 1.89017314858349 | erot = 2.47354789341062 | epot = -22.5844642699129 | etot = -18.2207432279188 +258000 ekin = 2.03347535796395 | erot = 2.06391667042751 | epot = -22.5636266221105 | etot = -18.4662345937191 +259000 ekin = 2.08170419875311 | erot = 1.98311262235159 | epot = -22.5595893965744 | etot = -18.4947725754697 +260000 ekin = 2.15465691022503 | erot = 1.92890944309568 | epot = -22.5702550804873 | etot = -18.4866887271666 +261000 ekin = 2.18525908976661 | erot = 1.80668043265703 | epot = -22.599603855669 | etot = -18.6076643332453 +262000 ekin = 2.39558735866003 | erot = 1.77101109907158 | epot = -22.6433503794795 | etot = -18.4767519217479 +263000 ekin = 2.51566381481677 | erot = 1.74502710268516 | epot = -22.7083481578158 | etot = -18.4476572403139 +264000 ekin = 2.61294097754962 | erot = 1.72004349105584 | epot = -22.7870727773709 | etot = -18.4540883087654 +265000 ekin = 2.69751103648214 | erot = 1.73596878524943 | epot = -22.8761138257039 | etot = -18.4426340039723 +266000 ekin = 2.73317595749254 | erot = 2.00190945895257 | epot = -22.9815854287862 | etot = -18.2465000123411 +267000 ekin = 2.88777944401865 | erot = 2.03601396733325 | epot = -23.0741467375982 | etot = -18.1503533262463 +268000 ekin = 2.88428212564762 | erot = 2.39210250452423 | epot = -23.1701763705663 | etot = -17.8937917403945 +269000 ekin = 2.94011387527553 | erot = 2.47436168171166 | epot = -23.2463195301015 | etot = -17.8318439731143 +270000 ekin = 3.16907204765203 | erot = 2.44558507843769 | epot = -23.2623613561913 | etot = -17.6477042301015 +271000 ekin = 3.2333039510145 | erot = 2.22964844922972 | epot = -23.2347949376338 | etot = -17.7718425373896 +272000 ekin = 3.25903447141521 | erot = 2.27670268800702 | epot = -23.1776976604854 | etot = -17.6419605010632 +273000 ekin = 3.33084558602117 | erot = 2.34730506518472 | epot = -23.0897292017612 | etot = -17.4115785505553 +274000 ekin = 3.13365175221781 | erot = 2.2890699134736 | epot = -22.970791629232 | etot = -17.5480699635406 +275000 ekin = 3.06411601298053 | erot = 2.05657284383674 | epot = -22.8411592683854 | etot = -17.7204704115681 +276000 ekin = 3.00284299412694 | erot = 2.41503398631215 | epot = -22.7006548358519 | etot = -17.2827778554128 +277000 ekin = 2.8898853606654 | erot = 2.56679455786094 | epot = -22.5600288715064 | etot = -17.1033489529801 +278000 ekin = 2.79983988341333 | erot = 2.44718365696948 | epot = -22.4337020220077 | etot = -17.1866784816249 +279000 ekin = 2.62025699943826 | erot = 2.34403355986967 | epot = -22.3217153271845 | etot = -17.3574247678766 +280000 ekin = 2.65113378626893 | erot = 2.38211104337873 | epot = -22.2136340723867 | etot = -17.1803892427391 +281000 ekin = 2.56011045257089 | erot = 2.14040765533486 | epot = -22.1467069298693 | etot = -17.4461888219636 +282000 ekin = 2.46937295979447 | erot = 2.08425434958574 | epot = -22.1062066499079 | etot = -17.5525793405277 +283000 ekin = 2.44420819687516 | erot = 1.88047008838871 | epot = -22.0682236162874 | etot = -17.7435453310236 +284000 ekin = 2.39435456980289 | erot = 2.14903249361598 | epot = -22.056902758128 | etot = -17.5135156947092 +285000 ekin = 2.39703522509055 | erot = 2.569646039159 | epot = -22.0888499478259 | etot = -17.1221686835764 +286000 ekin = 2.43717149651546 | erot = 2.84247600307268 | epot = -22.1412346796121 | etot = -16.861587180024 +287000 ekin = 2.31664233692361 | erot = 2.84674819551601 | epot = -22.1861386782236 | etot = -17.0227481457839 +288000 ekin = 2.26607109317395 | erot = 3.21299363478886 | epot = -22.2378784042861 | etot = -16.7588136763232 +289000 ekin = 2.29584076229566 | erot = 3.11249259323235 | epot = -22.2883115241192 | etot = -16.8799781685912 +290000 ekin = 2.23049902061663 | erot = 2.87013105088138 | epot = -22.3143401591494 | etot = -17.2137100876514 +291000 ekin = 2.21755828984435 | erot = 2.71274244030907 | epot = -22.3410646593226 | etot = -17.4107639291691 +292000 ekin = 2.21317296232836 | erot = 2.69582872791188 | epot = -22.3827626255967 | etot = -17.4737609353564 +293000 ekin = 2.23081262903902 | erot = 2.60204748252234 | epot = -22.4352222519775 | etot = -17.6023621404161 +294000 ekin = 2.26311425147062 | erot = 3.03410577179155 | epot = -22.4683441344041 | etot = -17.1711241111419 +295000 ekin = 2.2812207577869 | erot = 2.86887170599452 | epot = -22.4906039301699 | etot = -17.3405114663885 +296000 ekin = 2.26383415546938 | erot = 2.78467774936796 | epot = -22.5129720446774 | etot = -17.46446013984 +297000 ekin = 2.33825045335883 | erot = 2.98513561564366 | epot = -22.5191664894362 | etot = -17.1957804204337 +298000 ekin = 2.37786827340754 | erot = 2.85984647447039 | epot = -22.5058515980845 | etot = -17.2681368502066 +299000 ekin = 2.32052037098645 | erot = 2.6948063398296 | epot = -22.4889248916839 | etot = -17.4735981808679 +300000 ekin = 2.30322327761401 | erot = 2.72939848613212 | epot = -22.4591258064476 | etot = -17.4265040427014 +301000 ekin = 2.29995331731969 | erot = 2.60777958693871 | epot = -22.4102468930599 | etot = -17.5025139888015 +302000 ekin = 2.31454372799517 | erot = 2.67298740529846 | epot = -22.3501115787877 | etot = -17.3625804454941 +303000 ekin = 2.40576357226374 | erot = 2.41520690493574 | epot = -22.2832063980298 | etot = -17.4622359208303 +304000 ekin = 2.35524162584728 | erot = 2.05432603043706 | epot = -22.2112103404661 | etot = -17.8016426841818 +305000 ekin = 2.30537591124535 | erot = 1.98023337779147 | epot = -22.1649123466492 | etot = -17.8793030576124 +306000 ekin = 2.32478727778829 | erot = 1.89519445956113 | epot = -22.1442852026102 | etot = -17.9243034652608 +307000 ekin = 2.41423624130655 | erot = 1.91431870573649 | epot = -22.1548620004642 | etot = -17.8263070534212 +308000 ekin = 2.44675290257479 | erot = 2.31210197406235 | epot = -22.2055558309834 | etot = -17.4467009543463 +309000 ekin = 2.456733741312 | erot = 2.16129470434149 | epot = -22.2742892000813 | etot = -17.6562607544278 +310000 ekin = 2.58167657763234 | erot = 2.4384694301708 | epot = -22.3327423848014 | etot = -17.3125963769982 +311000 ekin = 2.5293944901135 | erot = 2.76106281819497 | epot = -22.3705094869024 | etot = -17.0800521785939 +312000 ekin = 2.52610661112938 | erot = 2.98071467503396 | epot = -22.3866205343165 | etot = -16.8797992481532 +313000 ekin = 2.52405671654842 | erot = 2.80377255965802 | epot = -22.4049055192042 | etot = -17.0770762429978 +314000 ekin = 2.65040443727049 | erot = 2.69900889453174 | epot = -22.3876700619105 | etot = -17.0382567301082 +315000 ekin = 2.74472815623857 | erot = 2.6634099641871 | epot = -22.3592685134382 | etot = -16.9511303930125 +316000 ekin = 2.83270806183629 | erot = 2.6834624018617 | epot = -22.3041387808826 | etot = -16.7879683171846 +317000 ekin = 2.98267354986799 | erot = 2.4999891053122 | epot = -22.2250773416344 | etot = -16.7424146864542 +318000 ekin = 2.95159865011192 | erot = 2.46437525131281 | epot = -22.1605195993969 | etot = -16.7445456979721 +319000 ekin = 2.99544196834495 | erot = 2.37119170515183 | epot = -22.0922506560632 | etot = -16.7256169825664 +320000 ekin = 3.12952415968056 | erot = 2.25302267428086 | epot = -22.0193402840265 | etot = -16.6367934500651 +321000 ekin = 3.21184303812923 | erot = 2.03139593747172 | epot = -21.9793920725106 | etot = -16.7361530969097 +322000 ekin = 3.32994096856511 | erot = 2.3411089367688 | epot = -21.9763192351684 | etot = -16.3052693298345 +323000 ekin = 3.41272790799891 | erot = 2.43631206380498 | epot = -22.014012335423 | etot = -16.1649723636191 +324000 ekin = 3.63714885281377 | erot = 1.94651241761841 | epot = -22.0887358924505 | etot = -16.5050746220183 +325000 ekin = 3.64965023300859 | erot = 1.83594979903826 | epot = -22.1597106232418 | etot = -16.674110591195 +326000 ekin = 3.79931323852483 | erot = 1.60564512903886 | epot = -22.2163199739481 | etot = -16.8113616063844 +327000 ekin = 3.85106864316231 | erot = 1.85449233215436 | epot = -22.2856422481549 | etot = -16.5800812728382 +328000 ekin = 3.95505458701157 | erot = 2.12895030409347 | epot = -22.3412351799646 | etot = -16.2572302888595 +329000 ekin = 3.96560356728839 | erot = 2.0612406639335 | epot = -22.3752736768186 | etot = -16.3484294455967 +330000 ekin = 4.00004269284732 | erot = 2.01808790805441 | epot = -22.3671090028808 | etot = -16.348978401979 +331000 ekin = 3.84205146855946 | erot = 1.89603876125722 | epot = -22.3128837484487 | etot = -16.5747935186321 +332000 ekin = 3.66184063362549 | erot = 2.39349988256161 | epot = -22.257623873614 | etot = -16.2022833574269 +333000 ekin = 3.52628969259453 | erot = 2.20415103930297 | epot = -22.1847867511299 | etot = -16.4543460192324 +334000 ekin = 3.3437779801396 | erot = 2.36266544381992 | epot = -22.1376045131504 | etot = -16.4311610891909 +335000 ekin = 3.23745330446352 | erot = 2.56905504387957 | epot = -22.1187474004986 | etot = -16.3122390521555 +336000 ekin = 3.15020041660106 | erot = 2.76447823600607 | epot = -22.1164491906296 | etot = -16.2017705380225 +337000 ekin = 2.95647753165974 | erot = 3.39203265805615 | epot = -22.1578850568599 | etot = -15.809374867144 +338000 ekin = 2.77494351817581 | erot = 3.38702940437107 | epot = -22.2028615569714 | etot = -16.0408886344245 +339000 ekin = 2.56974792274936 | erot = 3.36393768621225 | epot = -22.2430377961403 | etot = -16.3093521871787 +340000 ekin = 2.54624997134424 | erot = 3.18838906080749 | epot = -22.2696997292606 | etot = -16.5350606971088 +341000 ekin = 2.4668045333309 | erot = 3.23666697035734 | epot = -22.2714054864725 | etot = -16.5679339827843 +342000 ekin = 2.41970796988159 | erot = 3.10075257077742 | epot = -22.2625825508718 | etot = -16.7421220102128 +343000 ekin = 2.39134830962094 | erot = 2.99983011061346 | epot = -22.2626100438681 | etot = -16.8714316236337 +344000 ekin = 2.40072375544815 | erot = 3.07461576439234 | epot = -22.2332671874541 | etot = -16.7579276676136 +345000 ekin = 2.47818664391052 | erot = 3.01878606425649 | epot = -22.1765310886858 | etot = -16.6795583805188 +346000 ekin = 2.42322520039713 | erot = 2.49312120205091 | epot = -22.1072756725379 | etot = -17.1909292700899 +347000 ekin = 2.50705041682168 | erot = 2.52533205787073 | epot = -22.0719334103209 | etot = -17.0395509356285 +348000 ekin = 2.5003068515947 | erot = 2.7382550355115 | epot = -22.027067188238 | etot = -16.7885053011318 +349000 ekin = 2.60963103698124 | erot = 2.7944394998929 | epot = -21.9800449664777 | etot = -16.5759744296036 +350000 ekin = 2.57407872164985 | erot = 2.87849433187398 | epot = -21.9210551857954 | etot = -16.4684821322716 +351000 ekin = 2.60900955228799 | erot = 2.47335254246403 | epot = -21.9029016387199 | etot = -16.8205395439678 +352000 ekin = 2.68632626573655 | erot = 2.16861659144723 | epot = -21.8932933758337 | etot = -17.0383505186499 +353000 ekin = 2.72806527094852 | erot = 2.21631476958764 | epot = -21.8949965382931 | etot = -16.950616497757 +354000 ekin = 2.80926057411796 | erot = 2.29356292718611 | epot = -21.9255698630395 | etot = -16.8227463617354 +355000 ekin = 2.82955370341617 | erot = 2.23886374167674 | epot = -21.9739881370157 | etot = -16.9055706919228 +356000 ekin = 2.95318161283268 | erot = 2.20593846887515 | epot = -22.0378541396085 | etot = -16.8787340579007 +357000 ekin = 3.00516452100387 | erot = 2.39489434202986 | epot = -22.104563588431 | etot = -16.7045047253973 +358000 ekin = 3.14013674094297 | erot = 2.81648025756436 | epot = -22.1940030034409 | etot = -16.2373860049336 +359000 ekin = 3.2489530732029 | erot = 2.89756918684608 | epot = -22.289435624655 | etot = -16.142913364606 +360000 ekin = 3.29499898808924 | erot = 2.69446962924572 | epot = -22.3827935430045 | etot = -16.3933249256695 +361000 ekin = 3.31826252960522 | erot = 3.08121996997403 | epot = -22.3855376265986 | etot = -15.9860551270194 +362000 ekin = 3.22507380499832 | erot = 2.94494755594978 | epot = -22.1939077776838 | etot = -16.0238864167357 +363000 ekin = 3.31998300083389 | erot = 2.84571871387849 | epot = -22.1418339144058 | etot = -15.9761321996935 +364000 ekin = 3.46138826026248 | erot = 3.17267347021574 | epot = -22.2920001905031 | etot = -15.6579384600248 +365000 ekin = 3.41685157685538 | erot = 2.95127990795476 | epot = -22.240326005599 | etot = -15.8721945207889 +366000 ekin = 3.28889153330115 | erot = 2.68298751094344 | epot = -22.0917647614685 | etot = -16.1198857172239 +367000 ekin = 3.13188043782679 | erot = 2.32272362557638 | epot = -21.9624425815398 | etot = -16.5078385181366 +368000 ekin = 3.056352336118 | erot = 2.49179825174104 | epot = -21.8924084965124 | etot = -16.3442579086533 +369000 ekin = 2.97979500179357 | erot = 2.09677594955126 | epot = -21.8535972953644 | etot = -16.7770263440196 +370000 ekin = 2.86265256457624 | erot = 2.27837964431472 | epot = -21.8636474872586 | etot = -16.7226152783677 +371000 ekin = 2.81676366518742 | erot = 2.51005420363864 | epot = -21.8612307947671 | etot = -16.534412925941 +372000 ekin = 2.89056214524153 | erot = 2.17924443857051 | epot = -21.846592680977 | etot = -16.7767860971649 +373000 ekin = 2.85702985814987 | erot = 2.22607119851547 | epot = -21.8235708010662 | etot = -16.7404697444008 +374000 ekin = 2.69116258554349 | erot = 2.54595039875569 | epot = -21.8020300439687 | etot = -16.5649170596695 +375000 ekin = 2.65367735566875 | erot = 2.84882366948588 | epot = -21.7972775666781 | etot = -16.2947765415234 +376000 ekin = 2.56541501684005 | erot = 3.15381436306323 | epot = -21.8007765642063 | etot = -16.081547184303 +377000 ekin = 2.51617117441638 | erot = 3.34506466383927 | epot = -21.778089805669 | etot = -15.9168539674133 +378000 ekin = 2.39886036582834 | erot = 3.14706842402722 | epot = -21.738430489254 | etot = -16.1925016993984 +379000 ekin = 2.32534620585577 | erot = 2.9467038227835 | epot = -21.6782824657579 | etot = -16.4062324371187 +380000 ekin = 2.15266052745912 | erot = 3.43857095246912 | epot = -21.6038294062212 | etot = -16.0125979262929 +381000 ekin = 2.13714114193708 | erot = 3.11249169114175 | epot = -21.5367992698038 | etot = -16.2871664367249 +382000 ekin = 2.05496339747551 | erot = 3.44869747601511 | epot = -21.4764708985239 | etot = -15.9728100250333 +383000 ekin = 2.03169806552591 | erot = 3.38753191033141 | epot = -21.4173191206603 | etot = -15.998089144803 +384000 ekin = 1.9536464992119 | erot = 3.35746983585185 | epot = -21.3597667304038 | etot = -16.0486503953401 +385000 ekin = 1.95295295831838 | erot = 3.20059142565732 | epot = -21.3242192311686 | etot = -16.1706748471929 +386000 ekin = 2.03545459887428 | erot = 2.6333725467863 | epot = -21.3197581171682 | etot = -16.6509309715076 +387000 ekin = 2.08744315207257 | erot = 2.67515413940834 | epot = -21.321978305784 | etot = -16.5593810143031 +388000 ekin = 2.10460844408205 | erot = 2.63750027619817 | epot = -21.3534873824531 | etot = -16.6113786621729 +389000 ekin = 2.13617356384952 | erot = 2.49874264909337 | epot = -21.4010667143317 | etot = -16.7661505013888 +390000 ekin = 2.21418863130661 | erot = 2.61354129728509 | epot = -21.4597800849527 | etot = -16.632050156361 +391000 ekin = 2.30830767897454 | erot = 2.42155138145244 | epot = -21.5215483863443 | etot = -16.7916893259173 +392000 ekin = 2.30978428581462 | erot = 2.2702116622687 | epot = -21.5693953401795 | etot = -16.9893993920962 +393000 ekin = 2.43507049787304 | erot = 2.19525621528521 | epot = -21.6165022301659 | etot = -16.9861755170077 +394000 ekin = 2.48175272100065 | erot = 1.97403757750068 | epot = -21.643553588929 | etot = -17.1877632904276 +395000 ekin = 2.57078024352525 | erot = 1.94477022107785 | epot = -21.7032003447495 | etot = -17.1876498801464 +396000 ekin = 2.63856854694526 | erot = 2.15467094485346 | epot = -21.7518329108741 | etot = -16.9585934190754 +397000 ekin = 2.67333204158292 | erot = 2.10415530221336 | epot = -21.7874922526139 | etot = -17.0100049088176 +398000 ekin = 2.71657217445487 | erot = 2.2726087644269 | epot = -21.7955669580492 | etot = -16.8063860191674 +399000 ekin = 2.74052903415942 | erot = 1.98188508417839 | epot = -21.7850112801671 | etot = -17.0625971618293 +400000 ekin = 2.72461700644057 | erot = 1.79309630627378 | epot = -21.7479203148975 | etot = -17.2302070021832 +401000 ekin = 2.67821010319014 | erot = 1.80652566016257 | epot = -21.698608702759 | etot = -17.2138729394062 +402000 ekin = 2.66678843641911 | erot = 1.99143851830794 | epot = -21.6166886330481 | etot = -16.9584616783211 +403000 ekin = 2.71498615143681 | erot = 2.00496282624719 | epot = -21.5303765730254 | etot = -16.8104275953414 +404000 ekin = 2.72798047530865 | erot = 1.97802766069305 | epot = -21.4249267789288 | etot = -16.7189186429271 +405000 ekin = 2.65655813266499 | erot = 1.93167942695855 | epot = -21.3111486584608 | etot = -16.7229110988373 +406000 ekin = 2.60702986991675 | erot = 1.76285472093913 | epot = -21.1926812354137 | etot = -16.8227966445578 +407000 ekin = 2.48234362601436 | erot = 1.89687727619118 | epot = -21.0701942151549 | etot = -16.6909733129493 +408000 ekin = 2.49227529739515 | erot = 2.21804348518091 | epot = -20.9209091795091 | etot = -16.210590396933 +409000 ekin = 2.28147512963803 | erot = 2.33822783369873 | epot = -20.7906871723621 | etot = -16.1709842090254 +410000 ekin = 2.17062635902643 | erot = 2.33410289107436 | epot = -20.7498754299753 | etot = -16.2451461798745 +411000 ekin = 2.17272870653952 | erot = 2.2156634626659 | epot = -20.7111946304985 | etot = -16.3228024612931 +412000 ekin = 2.18233973422078 | erot = 1.95033555757298 | epot = -20.6834214582718 | etot = -16.5507461664781 +413000 ekin = 2.30890718881924 | erot = 2.0702155403649 | epot = -20.6873588522826 | etot = -16.3082361230984 +414000 ekin = 2.33564543866431 | erot = 1.99840226970565 | epot = -20.7252533334277 | etot = -16.3912056250577 +415000 ekin = 2.38284289900085 | erot = 2.11597172640873 | epot = -20.8097694536977 | etot = -16.3109548282881 +416000 ekin = 2.4891981967793 | erot = 2.33259772891817 | epot = -20.9508447049437 | etot = -16.1290487792462 +417000 ekin = 2.54526036986863 | erot = 2.55910512686791 | epot = -21.1274289862994 | etot = -16.0230634895629 +418000 ekin = 2.51632809206382 | erot = 2.72037030682962 | epot = -21.2997759305311 | etot = -16.0630775316377 +419000 ekin = 2.67295573593477 | erot = 2.7771535580359 | epot = -21.4556263294564 | etot = -16.0055170354857 +420000 ekin = 2.85018483582401 | erot = 2.31598006691945 | epot = -21.598096067305 | etot = -16.4319311645616 +421000 ekin = 2.96837524337278 | erot = 2.62682452529496 | epot = -21.7546670845078 | etot = -16.1594673158401 +422000 ekin = 3.19012922154601 | erot = 2.84396098635259 | epot = -21.9215374215571 | etot = -15.8874472136585 +423000 ekin = 3.3689393550787 | erot = 2.63026872290709 | epot = -22.0572951448105 | etot = -16.0580870668247 +424000 ekin = 3.56949208720973 | erot = 2.47035354176279 | epot = -22.1637806318818 | etot = -16.1239350029093 +425000 ekin = 3.74058915148773 | erot = 2.35112257121746 | epot = -22.2380669505818 | etot = -16.1463552278766 +426000 ekin = 3.80317641902181 | erot = 2.35606913247639 | epot = -22.2959429720038 | etot = -16.1366974205056 +427000 ekin = 3.84305942013411 | erot = 2.33548874740511 | epot = -22.3376365509407 | etot = -16.1590883834015 +428000 ekin = 3.83870631322395 | erot = 2.2350686376018 | epot = -22.3684501057755 | etot = -16.2946751549498 +429000 ekin = 3.88817033525608 | erot = 2.49183581120228 | epot = -22.3756888085917 | etot = -15.9956826621333 +430000 ekin = 3.80889051818672 | erot = 2.40484189761613 | epot = -22.357001863787 | etot = -16.1432694479841 +431000 ekin = 3.77310947248888 | erot = 2.27913524660264 | epot = -22.3205980214879 | etot = -16.2683533023964 +432000 ekin = 3.52274921334614 | erot = 2.24573259199191 | epot = -22.2753655924895 | etot = -16.5068837871515 +433000 ekin = 3.46705236442825 | erot = 2.20376216835505 | epot = -22.2487474226527 | etot = -16.5779328898694 +434000 ekin = 3.31902379467507 | erot = 2.11029295350195 | epot = -22.2098823317898 | etot = -16.7805655836127 +435000 ekin = 3.17487375029743 | erot = 2.50022517053552 | epot = -22.1671631710259 | etot = -16.4920642501929 +436000 ekin = 3.02349956092827 | erot = 2.40764251188789 | epot = -22.1302532198703 | etot = -16.6991111470541 +437000 ekin = 2.82748432721598 | erot = 2.14344362630242 | epot = -22.1006119384222 | etot = -17.1296839849038 +438000 ekin = 2.76339787793433 | erot = 2.41905080521281 | epot = -22.0957010825607 | etot = -16.9132523994136 +439000 ekin = 2.67198886552451 | erot = 2.59491616836501 | epot = -22.1135007428951 | etot = -16.8465957090056 +440000 ekin = 2.51284986257016 | erot = 2.9117422878524 | epot = -22.1427877988882 | etot = -16.7181956484656 +441000 ekin = 2.50780828634469 | erot = 2.72902768068008 | epot = -22.1697146510929 | etot = -16.9328786840681 +442000 ekin = 2.44873015400854 | erot = 2.74922432089635 | epot = -22.2054533182396 | etot = -17.0074988433347 +443000 ekin = 2.38093647463518 | erot = 2.64154199429508 | epot = -22.2472480992725 | etot = -17.2247696303423 +444000 ekin = 2.38366519287148 | erot = 2.67137923733322 | epot = -22.2750222251915 | etot = -17.2199777949868 +445000 ekin = 2.40684373898667 | erot = 2.59567738953131 | epot = -22.2857281482681 | etot = -17.2832070197501 +446000 ekin = 2.36082009501203 | erot = 2.73001014061368 | epot = -22.2789998471504 | etot = -17.1881696115246 +447000 ekin = 2.36605795906938 | erot = 2.58257112672917 | epot = -22.2960840066295 | etot = -17.347454920831 +448000 ekin = 2.32165762068391 | erot = 2.36145535918709 | epot = -22.3211882050735 | etot = -17.6380752252025 +449000 ekin = 2.44203969267578 | erot = 2.62540304636667 | epot = -22.3026387988319 | etot = -17.2351960597895 +450000 ekin = 2.51099258071334 | erot = 2.64840657329913 | epot = -22.2675924392713 | etot = -17.1081932852588 +451000 ekin = 2.50793019457257 | erot = 2.96188202684436 | epot = -22.2417686447221 | etot = -16.7719564233052 +452000 ekin = 2.51543909198824 | erot = 2.97645802250486 | epot = -22.1947639118426 | etot = -16.7028667973495 +453000 ekin = 2.48027617072922 | erot = 2.57675545715309 | epot = -22.1151189784507 | etot = -17.0580873505684 +454000 ekin = 2.53738257378339 | erot = 2.32076068281017 | epot = -22.0114335109919 | etot = -17.1532902543983 +455000 ekin = 2.40824460563833 | erot = 2.52466300048372 | epot = -21.9140685033287 | etot = -16.9811608972066 +456000 ekin = 2.48089669783939 | erot = 2.44995767624588 | epot = -21.8323732399436 | etot = -16.9015188658584 +457000 ekin = 2.41775201722811 | erot = 2.40996718790024 | epot = -21.7728619497133 | etot = -16.9451427445849 +458000 ekin = 2.47981300263295 | erot = 2.17375208123326 | epot = -21.7127229794173 | etot = -17.0591578955511 +459000 ekin = 2.50098429139894 | erot = 2.13049458828857 | epot = -21.6581010444987 | etot = -17.0266221648112 +460000 ekin = 2.38145892905036 | erot = 1.94162891941061 | epot = -21.6082620378711 | etot = -17.2851741894102 +461000 ekin = 2.33337517008642 | erot = 1.98667402531251 | epot = -21.5649964210092 | etot = -17.2449472256103 +462000 ekin = 2.28227781413481 | erot = 1.78636859811692 | epot = -21.553299713964 | etot = -17.4846533017123 +463000 ekin = 2.31407904587683 | erot = 1.75082487007371 | epot = -21.5758125934739 | etot = -17.5109086775234 +464000 ekin = 2.33760733880321 | erot = 1.97752071149075 | epot = -21.6288036107053 | etot = -17.3136755604113 +465000 ekin = 2.35344133595347 | erot = 1.91505497900073 | epot = -21.7041801943292 | etot = -17.435683879375 +466000 ekin = 2.42854776892503 | erot = 1.75072628953244 | epot = -21.7819960540276 | etot = -17.6027219955701 +467000 ekin = 2.46288459947453 | erot = 1.78816598264994 | epot = -21.8507036001179 | etot = -17.5996530179934 +468000 ekin = 2.4396980237813 | erot = 1.72898452339386 | epot = -21.9015694636242 | etot = -17.732886916449 +469000 ekin = 2.54376807882599 | erot = 1.93023555616053 | epot = -21.9541799518692 | etot = -17.4801763168827 +470000 ekin = 2.63326744382486 | erot = 1.50609058500148 | epot = -21.9819116677659 | etot = -17.8425536389396 +471000 ekin = 2.65978116714098 | erot = 1.70311641290876 | epot = -21.998720113699 | etot = -17.6358225336493 +472000 ekin = 2.69971587804179 | erot = 1.80099323522394 | epot = -22.0027803172695 | etot = -17.5020712040038 +473000 ekin = 2.72512699348196 | erot = 2.02324872686535 | epot = -22.0030224491713 | etot = -17.254646728824 +474000 ekin = 2.84072412734433 | erot = 2.2138329031493 | epot = -21.9941738614508 | etot = -16.9396168309571 +475000 ekin = 2.80675445958325 | erot = 1.90220774412446 | epot = -21.9850696381239 | etot = -17.2761074344162 +476000 ekin = 2.72360114140076 | erot = 2.00284464538919 | epot = -21.9892397336864 | etot = -17.2627939468965 +477000 ekin = 2.84056500761862 | erot = 1.91820766145647 | epot = -22.0039582079805 | etot = -17.2451855389054 +478000 ekin = 2.79479136762928 | erot = 2.33508343932093 | epot = -22.0073204493409 | etot = -16.8774456423907 +479000 ekin = 2.68385324315888 | erot = 2.16409914969165 | epot = -21.9972664623628 | etot = -17.1493140695123 +480000 ekin = 2.70919062871945 | erot = 2.2201907483767 | epot = -21.9751418417914 | etot = -17.0457604646952 +481000 ekin = 2.6330738635062 | erot = 1.99280181185983 | epot = -21.9303826423552 | etot = -17.3045069669892 +482000 ekin = 2.59315858027291 | erot = 2.21899648577234 | epot = -21.8738249716004 | etot = -17.0616699055552 +483000 ekin = 2.47046920651463 | erot = 2.31431109078724 | epot = -21.8097795572398 | etot = -17.0249992599379 +484000 ekin = 2.53508822055607 | erot = 2.47424748553176 | epot = -21.7175828393255 | etot = -16.7082471332376 +485000 ekin = 2.50485650643293 | erot = 2.32403296584754 | epot = -21.6361062693728 | etot = -16.8072167970923 +486000 ekin = 2.47721144858964 | erot = 2.13567134935031 | epot = -21.5220454766261 | etot = -16.9091626786862 +487000 ekin = 2.37724853790925 | erot = 2.18943698926396 | epot = -21.3143250794172 | etot = -16.747639552244 +488000 ekin = 2.48818613181863 | erot = 1.88306237250834 | epot = -21.3116084588732 | etot = -16.9403599545463 +489000 ekin = 2.74982657944339 | erot = 1.89187656286075 | epot = -21.4756253900937 | etot = -16.8339222477895 +490000 ekin = 2.84466800424173 | erot = 1.71237058668174 | epot = -21.5263774576827 | etot = -16.9693388667592 +491000 ekin = 2.85737105202628 | erot = 1.55281245576821 | epot = -21.5086751027887 | etot = -17.0984915949942 +492000 ekin = 2.90983632457413 | erot = 1.91497206116242 | epot = -21.5279430025227 | etot = -16.7031346167862 +493000 ekin = 2.89079796015606 | erot = 2.10766085424281 | epot = -21.550840131446 | etot = -16.5523813170471 +494000 ekin = 2.90235816901099 | erot = 1.9402922611658 | epot = -21.5811303529852 | etot = -16.7384799228084 +495000 ekin = 2.87250026921876 | erot = 1.80307251979051 | epot = -21.6111333229179 | etot = -16.9355605339086 +496000 ekin = 2.90478694209697 | erot = 1.72383486079582 | epot = -21.6487754892895 | etot = -17.0201536863967 +497000 ekin = 2.79889384992107 | erot = 1.75660961047752 | epot = -21.6748215786364 | etot = -17.1193181182378 +498000 ekin = 2.74060640404801 | erot = 1.8988825882541 | epot = -21.7102647961433 | etot = -17.0707758038412 +499000 ekin = 2.80294847124193 | erot = 2.31213970127587 | epot = -21.7484718969955 | etot = -16.6333837244777 +500000 ekin = 2.83514351912353 | erot = 2.19332479656699 | epot = -21.7847476520863 | etot = -16.7562793363958 +501000 ekin = 2.85410564762311 | erot = 2.42583012042732 | epot = -21.8174128447106 | etot = -16.5374770766602 +502000 ekin = 2.87283408161098 | erot = 2.50841092791892 | epot = -21.8423925146404 | etot = -16.4611475051105 +503000 ekin = 2.94443013466673 | erot = 2.36313582629975 | epot = -21.8519587007928 | etot = -16.5443927398264 +504000 ekin = 2.98534964558837 | erot = 2.41275211835294 | epot = -21.8136647277171 | etot = -16.4155629637758 +505000 ekin = 3.10846911992697 | erot = 2.13573452517239 | epot = -21.7537837267862 | etot = -16.5095800816869 +506000 ekin = 3.09786641402197 | erot = 2.01700572313873 | epot = -21.7049804656294 | etot = -16.5901083284687 +507000 ekin = 3.16348616847778 | erot = 1.94949346287679 | epot = -21.6672353473611 | etot = -16.5542557160065 +508000 ekin = 3.07061633092948 | erot = 2.13446212006044 | epot = -21.6350846399517 | etot = -16.4300061889618 +509000 ekin = 3.12907466475355 | erot = 2.35272620108291 | epot = -21.6205801924069 | etot = -16.1387793265704 +510000 ekin = 3.0245140017856 | erot = 2.25242701385288 | epot = -21.6251089836152 | etot = -16.3481679679767 +511000 ekin = 2.94040580941495 | erot = 2.31948438934905 | epot = -21.6216965431398 | etot = -16.3618063443758 +512000 ekin = 2.94467119608466 | erot = 2.24306810877183 | epot = -21.5962799069277 | etot = -16.4085406020712 +513000 ekin = 2.87751742568546 | erot = 2.4154144429729 | epot = -21.5773819493344 | etot = -16.284450080676 +514000 ekin = 2.87859810419347 | erot = 2.53612885093564 | epot = -21.588691061236 | etot = -16.1739641061069 +515000 ekin = 2.65152076844924 | erot = 2.70952186913726 | epot = -21.6126230255115 | etot = -16.251580387925 +516000 ekin = 2.77253963034905 | erot = 3.1111688276585 | epot = -21.6107374310228 | etot = -15.7270289730152 +517000 ekin = 2.7657240217945 | erot = 2.98569828005575 | epot = -21.5945323230587 | etot = -15.8431100212085 +518000 ekin = 2.70082064566998 | erot = 2.94453329815957 | epot = -21.5767297354903 | etot = -15.9313757916607 +519000 ekin = 2.54482845466883 | erot = 2.66065301480803 | epot = -21.5508730096676 | etot = -16.3453915401907 +520000 ekin = 2.45944414333559 | erot = 2.6059278317658 | epot = -21.5130137565194 | etot = -16.447641781418 +521000 ekin = 2.40695980994573 | erot = 2.63220992355673 | epot = -21.4828393267851 | etot = -16.4436695932826 +522000 ekin = 2.52378769907125 | erot = 2.56066497083157 | epot = -21.4628073945551 | etot = -16.3783547246523 +523000 ekin = 2.47704387064472 | erot = 2.27847516566714 | epot = -21.3936943383542 | etot = -16.6381753020423 +524000 ekin = 2.45003418957747 | erot = 2.35140218073762 | epot = -21.2843636599225 | etot = -16.4829272896075 +525000 ekin = 2.36142621667719 | erot = 2.56683372922841 | epot = -21.3738770732968 | etot = -16.4456171273912 +526000 ekin = 2.41274041153331 | erot = 2.62143474643862 | epot = -21.5186087776721 | etot = -16.4844336197002 +527000 ekin = 2.51690607418066 | erot = 2.50693092291692 | epot = -21.5243590814513 | etot = -16.5005220843537 +528000 ekin = 2.54770211426161 | erot = 2.53999552090151 | epot = -21.5164154929429 | etot = -16.4287178577798 +529000 ekin = 2.4753674979034 | erot = 2.56875642748162 | epot = -21.5117161086082 | etot = -16.4675921832232 +530000 ekin = 2.5803889742549 | erot = 3.01233807443761 | epot = -21.5190605777288 | etot = -15.9263335290363 +531000 ekin = 2.6505489472462 | erot = 2.80448099540881 | epot = -21.5589351824918 | etot = -16.1039052398368 +532000 ekin = 2.6696524214408 | erot = 2.74119638756006 | epot = -21.6464179501726 | etot = -16.2355691411717 +533000 ekin = 2.72770786142475 | erot = 2.77844536173281 | epot = -21.7626441239329 | etot = -16.2564909007754 +534000 ekin = 2.64182362572746 | erot = 3.16792870118731 | epot = -21.9259934897404 | etot = -16.1162411628256 +535000 ekin = 2.66520124770206 | erot = 3.28791712497576 | epot = -22.0889762146489 | etot = -16.1358578419711 +536000 ekin = 2.62601876922119 | erot = 3.30261897461184 | epot = -22.2457512656675 | etot = -16.3171135218345 +537000 ekin = 2.69839345537191 | erot = 3.42813769244461 | epot = -22.4210021127565 | etot = -16.29447096494 +538000 ekin = 2.66760385526385 | erot = 3.62303132590617 | epot = -22.5913550255155 | etot = -16.3007198443454 +539000 ekin = 2.67321194398858 | erot = 3.60397197005646 | epot = -22.7197786083613 | etot = -16.4425946943163 +540000 ekin = 2.61847962179667 | erot = 3.59814593067319 | epot = -22.8058567264858 | etot = -16.5892311740159 +541000 ekin = 2.67186419743777 | erot = 3.32667413558495 | epot = -22.8335693145217 | etot = -16.835030981499 +542000 ekin = 2.70747491915378 | erot = 3.01115645898026 | epot = -22.8115452943436 | etot = -17.0929139162096 +543000 ekin = 2.54644874759652 | erot = 2.82723025266318 | epot = -22.7664572430855 | etot = -17.3927782428258 +544000 ekin = 2.54639384288721 | erot = 2.5174224919614 | epot = -22.7350779454404 | etot = -17.6712616105918 +545000 ekin = 2.56168013748332 | erot = 2.65611713884728 | epot = -22.7023384195505 | etot = -17.4845411432199 +546000 ekin = 2.58160534092255 | erot = 2.38787600628631 | epot = -22.6704542470138 | etot = -17.7009728998049 +547000 ekin = 2.6121146280375 | erot = 2.34648461296519 | epot = -22.6334663710584 | etot = -17.6748671300557 +548000 ekin = 2.61848748301412 | erot = 2.5516310420712 | epot = -22.6097685172029 | etot = -17.4396499921176 +549000 ekin = 2.67184047302193 | erot = 2.60680496690199 | epot = -22.6113862974877 | etot = -17.3327408575638 +550000 ekin = 2.72277931598642 | erot = 2.65040849078687 | epot = -22.6203600824211 | etot = -17.2471722756478 +551000 ekin = 2.74305353489356 | erot = 2.80075659039589 | epot = -22.6177232617521 | etot = -17.0739131364627 +552000 ekin = 2.81751360269325 | erot = 2.75287635518204 | epot = -22.602311876728 | etot = -17.0319219188527 +553000 ekin = 2.79227730256451 | erot = 2.56192872740975 | epot = -22.5537272638578 | etot = -17.1995212338835 +554000 ekin = 2.73534601403833 | erot = 2.65053323061196 | epot = -22.4791077870334 | etot = -17.0932285423831 +555000 ekin = 2.638870693299 | erot = 2.60099744506951 | epot = -22.3836014529598 | etot = -17.1437333145913 +556000 ekin = 2.5879592273157 | erot = 2.83939231123044 | epot = -22.3242799264679 | etot = -16.8969283879218 +557000 ekin = 2.47840947592946 | erot = 2.83134609082876 | epot = -22.3241590735327 | etot = -17.0144035067744 +558000 ekin = 2.40468725505368 | erot = 2.93322561456073 | epot = -22.2772491751352 | etot = -16.9393363055208 +559000 ekin = 2.41820823948318 | erot = 2.8608918734677 | epot = -22.2036329910434 | etot = -16.9245328780926 +560000 ekin = 2.3966202031316 | erot = 2.57730341735947 | epot = -22.1373821619364 | etot = -17.1634585414453 +561000 ekin = 2.41616568173939 | erot = 2.43139941603537 | epot = -22.0606510286939 | etot = -17.2130859309192 +562000 ekin = 2.32711122790915 | erot = 2.68540878415344 | epot = -22.0362236088755 | etot = -17.0237035968129 +563000 ekin = 2.40105509630183 | erot = 2.62423602861765 | epot = -22.0398518714972 | etot = -17.0145607465777 +564000 ekin = 2.50622664221487 | erot = 2.49283482178932 | epot = -22.0598046960839 | etot = -17.0607432320797 +565000 ekin = 2.51273313956233 | erot = 2.47207361692501 | epot = -22.089921425343 | etot = -17.1051146688556 +566000 ekin = 2.45555537786115 | erot = 2.3082155714912 | epot = -22.1147098672019 | etot = -17.3509389178496 +567000 ekin = 2.48507699437185 | erot = 2.03226369059615 | epot = -22.1483465792771 | etot = -17.6310058943091 +568000 ekin = 2.44600711349212 | erot = 2.16818780091151 | epot = -22.1715613145415 | etot = -17.5573664001379 +569000 ekin = 2.41496567776295 | erot = 2.08307839560002 | epot = -22.1893617136985 | etot = -17.6913176403356 +570000 ekin = 2.31032400356052 | erot = 1.94654984481954 | epot = -22.1972672153819 | etot = -17.9403933670018 +571000 ekin = 2.34174388046968 | erot = 1.90380560996229 | epot = -22.2024778466829 | etot = -17.9569283562509 +572000 ekin = 2.3161224267259 | erot = 2.32477215739614 | epot = -22.1972617700694 | etot = -17.5563671859474 +573000 ekin = 2.33747992651635 | erot = 2.05308190482657 | epot = -22.1742687527247 | etot = -17.7837069213818 +574000 ekin = 2.25296248727395 | erot = 2.15192604028184 | epot = -22.1539412991551 | etot = -17.7490527715993 +575000 ekin = 2.39237411767891 | erot = 2.08020391847446 | epot = -22.1262092875419 | etot = -17.6536312513885 +576000 ekin = 2.39920884793466 | erot = 2.19930885642795 | epot = -22.0840646582165 | etot = -17.4855469538539 +577000 ekin = 2.32808205752383 | erot = 1.94197958979008 | epot = -22.0344723562009 | etot = -17.764410708887 +578000 ekin = 2.17468587063572 | erot = 1.9246103716915 | epot = -21.974741428262 | etot = -17.8754451859348 +579000 ekin = 2.11583896079231 | erot = 1.92936420584513 | epot = -21.9045494517252 | etot = -17.8593462850878 +580000 ekin = 1.98384148142142 | erot = 1.90081955947736 | epot = -21.8148954466249 | etot = -17.9302344057261 +581000 ekin = 1.94016412525864 | erot = 1.93233669573735 | epot = -21.7165439683881 | etot = -17.8440431473921 +582000 ekin = 1.86102518896638 | erot = 1.7934107867181 | epot = -21.6380365856677 | etot = -17.9836006099832 +583000 ekin = 1.68386990762816 | erot = 1.83679042288086 | epot = -21.5992064668102 | etot = -18.0785461363011 +584000 ekin = 1.67261412505274 | erot = 1.65634612158733 | epot = -21.5952053447533 | etot = -18.2662450981132 +585000 ekin = 1.73992925735466 | erot = 1.83366430721896 | epot = -21.6327697441748 | etot = -18.0591761796012 +586000 ekin = 1.7466125540919 | erot = 1.71213201580467 | epot = -21.7000609183771 | etot = -18.2413163484806 +587000 ekin = 1.71710189718411 | erot = 1.97098182988275 | epot = -21.768357454318 | etot = -18.0802737272511 +588000 ekin = 1.86544089524886 | erot = 1.85386980490182 | epot = -21.842568384803 | etot = -18.1232576846523 +589000 ekin = 1.85071717322235 | erot = 1.97068115142872 | epot = -21.9095983694565 | etot = -18.0882000448054 +590000 ekin = 1.83374905828512 | erot = 1.81484654719675 | epot = -21.9582171568561 | etot = -18.3096215513742 +591000 ekin = 1.81469352641546 | erot = 1.99878899767018 | epot = -21.9200659973695 | etot = -18.1065834732838 +592000 ekin = 1.71363100839119 | erot = 2.12573581394757 | epot = -21.9592135376035 | etot = -18.1198467152647 +593000 ekin = 1.72614766500652 | erot = 2.17937588775782 | epot = -22.066408920808 | etot = -18.1608853680437 +594000 ekin = 1.75427689765148 | erot = 1.98826780368093 | epot = -22.097697548866 | etot = -18.3551528475336 +595000 ekin = 1.85406358952635 | erot = 2.20206199980441 | epot = -22.122617669042 | etot = -18.0664920797113 +596000 ekin = 1.84670119316226 | erot = 2.33908153853192 | epot = -22.155983122642 | etot = -17.9702003909479 +597000 ekin = 1.81732138775553 | erot = 2.40005576098704 | epot = -22.1594075236566 | etot = -17.9420303749141 +598000 ekin = 1.86775439707713 | erot = 2.55301581891919 | epot = -22.1595993961167 | etot = -17.7388291801204 +599000 ekin = 1.91773913278386 | erot = 2.67167362163655 | epot = -22.1710888467293 | etot = -17.5816760923089 +600000 ekin = 1.98736665658457 | erot = 2.80063355631871 | epot = -22.2102053911855 | etot = -17.4222051782822 +601000 ekin = 1.90702337725137 | erot = 2.83446711181393 | epot = -22.2420925338084 | etot = -17.5006020447431 +602000 ekin = 1.94976963379135 | erot = 2.90342633891923 | epot = -22.2734691619213 | etot = -17.4202731892107 +603000 ekin = 1.96641425291137 | erot = 2.66529933433871 | epot = -22.2825393460707 | etot = -17.6508257588206 +604000 ekin = 1.91858852447186 | erot = 2.76080776072307 | epot = -22.2678256349419 | etot = -17.5884293497469 +605000 ekin = 1.97193019282266 | erot = 2.54727948628818 | epot = -22.2112173532516 | etot = -17.6920076741407 +606000 ekin = 2.03197193648811 | erot = 2.19902614177691 | epot = -22.116454437631 | etot = -17.885456359366 +607000 ekin = 2.05105280435577 | erot = 2.16675765880345 | epot = -21.9774053858555 | etot = -17.7595949226963 +608000 ekin = 2.17944443921827 | erot = 2.13131743184003 | epot = -21.8153209903606 | etot = -17.5045591193023 +609000 ekin = 2.16101479212578 | erot = 2.06129841109606 | epot = -21.6707988831026 | etot = -17.4484856798808 +610000 ekin = 2.19385705617112 | erot = 2.02131249667451 | epot = -21.5477012163144 | etot = -17.3325316634687 +611000 ekin = 2.19942394637442 | erot = 2.20280786133642 | epot = -21.4384008683113 | etot = -17.0361690606005 +612000 ekin = 2.23163662761472 | erot = 2.17565235563951 | epot = -21.3497883530462 | etot = -16.942499369792 +613000 ekin = 2.34183365034038 | erot = 1.89422502415539 | epot = -21.3091832789111 | etot = -17.0731246044153 +614000 ekin = 2.41074949980773 | erot = 1.66581051947236 | epot = -21.3121685225924 | etot = -17.2356085033123 +615000 ekin = 2.45538962657627 | erot = 1.67175711569401 | epot = -21.3797539205107 | etot = -17.2526071782405 +616000 ekin = 2.54665272757666 | erot = 1.63332091588084 | epot = -21.4744887763243 | etot = -17.2945151328668 +617000 ekin = 2.69386292022066 | erot = 1.67560230924521 | epot = -21.588417959513 | etot = -17.2189527300471 +618000 ekin = 2.87435666564135 | erot = 1.80165459029565 | epot = -21.7048752429668 | etot = -17.0288639870299 +619000 ekin = 3.06032720665911 | erot = 1.65093186491292 | epot = -21.8125402008949 | etot = -17.1012811293228 +620000 ekin = 3.05516944552979 | erot = 1.78567665314242 | epot = -21.9362157730259 | etot = -17.0953696743537 +621000 ekin = 3.19482877288267 | erot = 1.85444292415912 | epot = -22.0590109842187 | etot = -17.0097392871769 +622000 ekin = 3.19833270893114 | erot = 1.64252462622231 | epot = -22.1304552689747 | etot = -17.2895979338213 +623000 ekin = 3.29734758995184 | erot = 1.69707189360923 | epot = -22.1701112545656 | etot = -17.1756917710046 +624000 ekin = 3.37713404636403 | erot = 1.61937249977477 | epot = -22.1901329861865 | etot = -17.1936264400477 +625000 ekin = 3.38380934462709 | erot = 1.549172062804 | epot = -22.1890416607103 | etot = -17.2560602532792 +626000 ekin = 3.32638739446791 | erot = 1.56722148293845 | epot = -22.1785220524129 | etot = -17.2849131750065 +627000 ekin = 3.31569249720213 | erot = 1.71066467192283 | epot = -22.1423640777851 | etot = -17.1160069086602 +628000 ekin = 3.16697776454369 | erot = 1.85806977204786 | epot = -22.011252047656 | etot = -16.9862045110645 +629000 ekin = 2.99094278818936 | erot = 1.8634654411134 | epot = -21.934673140983 | etot = -17.0802649116802 +630000 ekin = 2.90556071918741 | erot = 2.0693130310465 | epot = -21.9350908515797 | etot = -16.9602171013458 +631000 ekin = 2.7996958294494 | erot = 2.05621242567347 | epot = -21.8486045729716 | etot = -16.9926963178487 +632000 ekin = 2.67147709831681 | erot = 2.03262561421969 | epot = -21.7549691244759 | etot = -17.0508664119394 +633000 ekin = 2.65536759972765 | erot = 2.03400136625159 | epot = -21.679933200058 | etot = -16.9905642340788 +634000 ekin = 2.60619207671916 | erot = 2.13546718822646 | epot = -21.6154557479587 | etot = -16.873796483013 +635000 ekin = 2.50701558019073 | erot = 1.74758901075266 | epot = -21.5543249117143 | etot = -17.2997203207709 +636000 ekin = 2.39745600323015 | erot = 1.85247540266627 | epot = -21.5255594300375 | etot = -17.275628024141 +637000 ekin = 2.41790008828863 | erot = 1.89421557823657 | epot = -21.5250233017188 | etot = -17.2129076351937 +638000 ekin = 2.47578971863411 | erot = 2.36571418053383 | epot = -21.5337545659548 | etot = -16.6922506667869 +639000 ekin = 2.35660046082987 | erot = 2.51353605837974 | epot = -21.54109724209 | etot = -16.6709607228804 +640000 ekin = 2.45486082803945 | erot = 2.67800600845136 | epot = -21.55281452089 | etot = -16.4199476843992 +641000 ekin = 2.56928913237036 | erot = 2.42818013926169 | epot = -21.5744429168227 | etot = -16.5769736451907 +642000 ekin = 2.56519022418644 | erot = 2.50858602525862 | epot = -21.5829619563604 | etot = -16.5091857069153 +643000 ekin = 2.61438251477743 | erot = 2.14546404075503 | epot = -21.6040625493726 | etot = -16.8442159938401 +644000 ekin = 2.62186764966541 | erot = 2.14191076230808 | epot = -21.6253516870781 | etot = -16.8615732751046 +645000 ekin = 2.73445879103559 | erot = 2.35765807621328 | epot = -21.6468161631213 | etot = -16.5546992958725 +646000 ekin = 2.74844139127298 | erot = 2.17611353686154 | epot = -21.6394622686015 | etot = -16.714907340467 +647000 ekin = 2.81459539064476 | erot = 2.08632073152515 | epot = -21.6308966078173 | etot = -16.7299804856474 +648000 ekin = 2.8570092687102 | erot = 1.92946433308234 | epot = -21.6388376034712 | etot = -16.8523640016787 +649000 ekin = 2.83442652810374 | erot = 1.81043301746399 | epot = -21.6816093302461 | etot = -17.0367497846784 +650000 ekin = 2.82385635198152 | erot = 1.98060013201552 | epot = -21.7368430060007 | etot = -16.9323865220037 +651000 ekin = 2.9288560289155 | erot = 2.12442721936488 | epot = -21.817286677495 | etot = -16.7640034292146 +652000 ekin = 2.93013307398376 | erot = 2.27578127027579 | epot = -21.8890408405104 | etot = -16.6831264962509 +653000 ekin = 3.0473689812555 | erot = 2.16776847613752 | epot = -21.9486345968612 | etot = -16.7334971394682 +654000 ekin = 2.95795730372489 | erot = 2.21678381714661 | epot = -22.0001869032544 | etot = -16.8254457823829 +655000 ekin = 3.02540562074013 | erot = 2.13692279145244 | epot = -22.0213788097185 | etot = -16.8590503975259 +656000 ekin = 2.93581362686791 | erot = 2.18988187130923 | epot = -22.010975719743 | etot = -16.8852802215659 +657000 ekin = 2.76805340651513 | erot = 2.32463835532636 | epot = -21.9890816986891 | etot = -16.8963899368476 +658000 ekin = 2.72010078264214 | erot = 2.42170769009723 | epot = -21.9346454326183 | etot = -16.792836959879 +659000 ekin = 2.56993867397727 | erot = 2.56748186419784 | epot = -21.8575737943231 | etot = -16.7201532561479 +660000 ekin = 2.47973868672826 | erot = 2.40259679627709 | epot = -21.779567237114 | etot = -16.8972317541087 +661000 ekin = 2.45373542595665 | erot = 2.39904349056725 | epot = -21.7176497643048 | etot = -16.8648708477809 +662000 ekin = 2.31664057269232 | erot = 2.35054704143566 | epot = -21.6537121043302 | etot = -16.9865244902022 +663000 ekin = 2.2406453295341 | erot = 2.17910127912756 | epot = -21.6391536375407 | etot = -17.2194070288791 +664000 ekin = 2.20916362864351 | erot = 2.06262569311492 | epot = -21.6851863902018 | etot = -17.4133970684433 +665000 ekin = 2.13954972476583 | erot = 2.25756057575129 | epot = -21.7455075936899 | etot = -17.3483972931728 +666000 ekin = 2.08532103984046 | erot = 2.53235015645651 | epot = -21.830648816515 | etot = -17.2129776202181 +667000 ekin = 2.0743446863546 | erot = 2.583160243362 | epot = -21.9388099470212 | etot = -17.2813050173046 +668000 ekin = 2.14972707351084 | erot = 2.44036539013565 | epot = -22.0333424314709 | etot = -17.4432499678244 +669000 ekin = 2.14867112158615 | erot = 2.43281409131061 | epot = -22.1304448026363 | etot = -17.5489595897395 +670000 ekin = 2.23890403189199 | erot = 2.5864824921452 | epot = -22.2056814205452 | etot = -17.380294896508 +671000 ekin = 2.31625622499922 | erot = 2.6933385117182 | epot = -22.2796620621828 | etot = -17.2700673254654 +672000 ekin = 2.44586153940035 | erot = 2.5664628061703 | epot = -22.3586952144321 | etot = -17.3463708688615 +673000 ekin = 2.54481735055596 | erot = 2.75556593856597 | epot = -22.4593396425668 | etot = -17.1589563534449 +674000 ekin = 2.71391625159844 | erot = 2.65543084253566 | epot = -22.5584890476539 | etot = -17.1891419535198 +675000 ekin = 2.90764129270645 | erot = 2.2381977509452 | epot = -22.61801770165 | etot = -17.4721786579984 +676000 ekin = 2.92265152568027 | erot = 2.01907422039333 | epot = -22.6419153633297 | etot = -17.7001896172561 +677000 ekin = 2.98331588051324 | erot = 1.94365767388418 | epot = -22.6354363273703 | etot = -17.7084627729728 +678000 ekin = 3.09770353325625 | erot = 1.78984747588675 | epot = -22.5937189533549 | etot = -17.7061679442119 +679000 ekin = 3.25432444248473 | erot = 1.88443631033203 | epot = -22.5317841359598 | etot = -17.393023383143 +680000 ekin = 3.22961887078889 | erot = 1.69909805720003 | epot = -22.4630708250237 | etot = -17.5343538970348 +681000 ekin = 3.29793543712244 | erot = 1.73422658308639 | epot = -22.3946434176701 | etot = -17.3624813974613 +682000 ekin = 3.24199079106598 | erot = 1.59692198561525 | epot = -22.3029193266289 | etot = -17.4640065499476 +683000 ekin = 3.25371946999921 | erot = 1.72202050023483 | epot = -22.1991489993634 | etot = -17.2234090291294 +684000 ekin = 3.19052733109175 | erot = 1.6662268117249 | epot = -22.0655070121609 | etot = -17.2087528693442 +685000 ekin = 3.1235177982566 | erot = 1.51735754830955 | epot = -21.9148242457862 | etot = -17.2739488992201 +686000 ekin = 3.07326489888686 | erot = 1.46555591350557 | epot = -21.7573475582033 | etot = -17.2185267458109 +687000 ekin = 3.06926781943163 | erot = 1.15712044634924 | epot = -21.5962819403317 | etot = -17.3698936745508 +688000 ekin = 2.87390652865996 | erot = 1.40331203652357 | epot = -21.4336822001942 | etot = -17.1564636350106 +689000 ekin = 2.69554492827573 | erot = 1.45829074533159 | epot = -21.2672855389607 | etot = -17.1134498653534 +690000 ekin = 2.61061423011931 | erot = 1.36248966419121 | epot = -21.1045284460287 | etot = -17.1314245517182 +691000 ekin = 2.53848955712385 | erot = 1.51295281726522 | epot = -20.9662406736505 | etot = -16.9147982992614 +692000 ekin = 2.46230747660104 | erot = 1.79517490024313 | epot = -20.8267179895323 | etot = -16.5692356126881 +693000 ekin = 2.33092902932381 | erot = 1.95693255705532 | epot = -20.7214634762692 | etot = -16.4336018898901 +694000 ekin = 2.20499278049206 | erot = 2.26852927145262 | epot = -20.6632308881514 | etot = -16.1897088362067 +695000 ekin = 2.03014457111484 | erot = 2.21386820279707 | epot = -20.6164786812678 | etot = -16.3724659073559 +696000 ekin = 1.90099616141388 | erot = 2.51034651058703 | epot = -20.5979238575911 | etot = -16.1865811855902 +697000 ekin = 1.85444991610563 | erot = 2.53777912909074 | epot = -20.6115349149636 | etot = -16.2193058697672 +698000 ekin = 1.74517859956197 | erot = 2.72238224145333 | epot = -20.6303436251982 | etot = -16.1627827841829 +699000 ekin = 1.75168130890703 | erot = 2.85503588879915 | epot = -20.6320585257891 | etot = -16.0253413280829 +700000 ekin = 1.64369199910964 | erot = 2.34560591480475 | epot = -20.6475139469298 | etot = -16.6582160330154 +701000 ekin = 1.68132533789953 | erot = 2.43909304651544 | epot = -20.6859109282928 | etot = -16.5654925438779 +702000 ekin = 1.70386840970075 | erot = 2.35102704448845 | epot = -20.7376959872522 | etot = -16.6828005330631 +703000 ekin = 1.80305935509228 | erot = 2.30693909538425 | epot = -20.8251011762126 | etot = -16.7151027257361 +704000 ekin = 1.85427679013265 | erot = 2.26509125077347 | epot = -20.9059280513961 | etot = -16.78656001049 +705000 ekin = 1.8833584698334 | erot = 2.19214658824627 | epot = -20.9954367870658 | etot = -16.9199317289861 +706000 ekin = 1.87670234052976 | erot = 2.28719516539754 | epot = -21.0193227576681 | etot = -16.8554252517408 +707000 ekin = 1.93293497142042 | erot = 2.38330202769359 | epot = -21.0638890738314 | etot = -16.7476520747174 +708000 ekin = 2.09065153727169 | erot = 2.35104864418212 | epot = -21.2227908262266 | etot = -16.7810906447728 +709000 ekin = 2.20425730862695 | erot = 2.60124565008625 | epot = -21.3749368892931 | etot = -16.5694339305799 +710000 ekin = 2.15847586521615 | erot = 2.78837422905166 | epot = -21.4537558932195 | etot = -16.5069057989517 +711000 ekin = 2.14738567610619 | erot = 2.55565446850146 | epot = -21.4922752305122 | etot = -16.7892350859046 +712000 ekin = 2.21832534546365 | erot = 2.28378233297843 | epot = -21.5070148685005 | etot = -17.0049071900584 +713000 ekin = 2.23341186047097 | erot = 2.34500428198343 | epot = -21.5008699398633 | etot = -16.9224537974089 +714000 ekin = 2.33230836039941 | erot = 2.19479871425173 | epot = -21.483901980654 | etot = -16.9567949060029 +715000 ekin = 2.33030820573716 | erot = 2.17965051754574 | epot = -21.4553142973933 | etot = -16.9453555741104 +716000 ekin = 2.36748822469763 | erot = 2.35438142347179 | epot = -21.4335845554589 | etot = -16.7117149072895 +717000 ekin = 2.42589072360727 | erot = 2.26035712234886 | epot = -21.4376774007488 | etot = -16.7514295547927 +718000 ekin = 2.38255620505563 | erot = 2.6280597207598 | epot = -21.470981433119 | etot = -16.4603655073036 +719000 ekin = 2.43160380446145 | erot = 2.63972746655475 | epot = -21.49717661689 | etot = -16.4258453458738 +720000 ekin = 2.33769336712164 | erot = 2.55371461534663 | epot = -21.5394919555784 | etot = -16.6480839731101 +721000 ekin = 2.28846155322213 | erot = 2.63462733239702 | epot = -21.618461815108 | etot = -16.6953729294888 +722000 ekin = 2.26257994641476 | erot = 2.84783969674527 | epot = -21.694550270764 | etot = -16.584130627604 +723000 ekin = 2.23304720962004 | erot = 3.06611659822312 | epot = -21.7528202353858 | etot = -16.4536564275427 +724000 ekin = 2.12684507278307 | erot = 2.78432312637068 | epot = -21.7751025516959 | etot = -16.8639343525421 +725000 ekin = 2.06612304118994 | erot = 2.66570087221037 | epot = -21.7772349484671 | etot = -17.0454110350668 +726000 ekin = 2.06015720392015 | erot = 2.53002799423172 | epot = -21.7484309875634 | etot = -17.1582457894116 +727000 ekin = 1.94617710091839 | erot = 2.58809722642007 | epot = -21.6988659423112 | etot = -17.1645916149727 +728000 ekin = 1.79988680762438 | erot = 2.5979160195852 | epot = -21.6244191329758 | etot = -17.2266163057662 +729000 ekin = 1.88959231945985 | erot = 2.45182775661318 | epot = -21.5334662313019 | etot = -17.1920461552289 +730000 ekin = 1.96867512295179 | erot = 2.41054767101822 | epot = -21.4871507299637 | etot = -17.1079279359937 +731000 ekin = 2.04007066021541 | erot = 2.10968471949841 | epot = -21.5107250767904 | etot = -17.3609696970765 +732000 ekin = 2.15156634650388 | erot = 2.21445806294114 | epot = -21.5656945394481 | etot = -17.199670130003 +733000 ekin = 2.35654560078921 | erot = 2.09260206198333 | epot = -21.6365297457679 | etot = -17.1873820829953 +734000 ekin = 2.53299152923288 | erot = 2.37468932984165 | epot = -21.7439901596612 | etot = -16.8363093005867 +735000 ekin = 2.68562697475323 | erot = 2.64165595377583 | epot = -21.8172386752085 | etot = -16.4899557466795 +736000 ekin = 2.79874366040434 | erot = 2.3555672648488 | epot = -21.8745419467365 | etot = -16.7202310214834 +737000 ekin = 2.90595989296537 | erot = 2.41144452276502 | epot = -21.9257424852848 | etot = -16.6083380695544 +738000 ekin = 3.16854231512179 | erot = 2.16995374764134 | epot = -21.9707229821545 | etot = -16.6322269193913 +739000 ekin = 3.23623963268868 | erot = 2.03973592994104 | epot = -22.0157112429487 | etot = -16.739735680319 +740000 ekin = 3.39353868555153 | erot = 2.32580669984048 | epot = -22.0571350158431 | etot = -16.3377896304511 +741000 ekin = 3.45553760108212 | erot = 2.27352146353072 | epot = -22.0707608655516 | etot = -16.3417018009388 +742000 ekin = 3.39019064344739 | erot = 2.25908088551441 | epot = -22.0670611146383 | etot = -16.4177895856765 +743000 ekin = 3.24233276383811 | erot = 2.1839250645018 | epot = -22.0666014745823 | etot = -16.6403436462424 +744000 ekin = 3.20002114728613 | erot = 2.23309952366509 | epot = -22.0285391631713 | etot = -16.59541849222 +745000 ekin = 3.1415194326547 | erot = 2.14368723244866 | epot = -21.964386805698 | etot = -16.6791801405947 +746000 ekin = 3.13633701521512 | erot = 2.2360359398882 | epot = -21.8828728628744 | etot = -16.5104999077711 +747000 ekin = 3.07456220778475 | erot = 2.2658707938338 | epot = -21.7933333887777 | etot = -16.4529003871592 +748000 ekin = 2.89245092613039 | erot = 2.40124088279771 | epot = -21.7426214163831 | etot = -16.448929607455 +749000 ekin = 2.88984722840537 | erot = 2.04545464704744 | epot = -21.7486405812126 | etot = -16.8133387057598 +750000 ekin = 2.90690239667269 | erot = 2.16308193639867 | epot = -21.803785194241 | etot = -16.7338008611696 +751000 ekin = 2.91748713435769 | erot = 2.28652646733639 | epot = -21.8965044368835 | etot = -16.6924908351894 +752000 ekin = 2.973295314377 | erot = 2.21452942544181 | epot = -22.0108702587425 | etot = -16.8230455189237 +753000 ekin = 3.12120975435183 | erot = 2.07420726206789 | epot = -22.1751207133481 | etot = -16.9797036969284 +754000 ekin = 3.10943310281668 | erot = 2.2499210675043 | epot = -22.3612161837256 | etot = -17.0018620134046 +755000 ekin = 3.18094546468904 | erot = 2.11033610484431 | epot = -22.5317563093702 | etot = -17.2404747398369 +756000 ekin = 3.21064051440287 | erot = 2.28479126381456 | epot = -22.6718534245704 | etot = -17.176421646353 +757000 ekin = 3.22246886753978 | erot = 2.44968123087538 | epot = -22.7886247543805 | etot = -17.1164746559654 +758000 ekin = 3.20698410892089 | erot = 2.5094846891231 | epot = -22.8454442004672 | etot = -17.1289754024233 +759000 ekin = 3.2123470068763 | erot = 3.12016624161149 | epot = -22.820120520579 | etot = -16.4876072720912 +760000 ekin = 3.27823245967404 | erot = 2.84290665242014 | epot = -22.678395409203 | etot = -16.5572562971088 +761000 ekin = 3.12453460408373 | erot = 2.62184906422468 | epot = -22.4382001072282 | etot = -16.6918164389198 +762000 ekin = 3.00311895367862 | erot = 2.41644056781974 | epot = -22.1533696227421 | etot = -16.7338101012437 +763000 ekin = 2.78638584214058 | erot = 2.3278167244759 | epot = -21.8612278496175 | etot = -16.747025283001 +764000 ekin = 2.62767890060486 | erot = 2.17189942716293 | epot = -21.5731775254892 | etot = -16.7735991977215 +765000 ekin = 2.51344272364347 | erot = 2.10908907015962 | epot = -21.3425441704373 | etot = -16.7200123766342 +766000 ekin = 2.44393199306001 | erot = 2.31186162861045 | epot = -21.1564464031685 | etot = -16.400652781498 +767000 ekin = 2.31911160677134 | erot = 2.18314082130427 | epot = -20.9627169920037 | etot = -16.460464563928 +768000 ekin = 2.13701069286725 | erot = 2.40318509200869 | epot = -20.8058909702443 | etot = -16.2656951853684 +769000 ekin = 2.10500025579023 | erot = 2.63894895441484 | epot = -20.8353130509949 | etot = -16.0913638407899 +770000 ekin = 2.12136471147768 | erot = 2.65544587845489 | epot = -20.9284031482495 | etot = -16.1515925583169 +771000 ekin = 2.13543144639037 | erot = 2.60537105377022 | epot = -21.0328875238179 | etot = -16.2920850236573 +772000 ekin = 2.24162906957233 | erot = 2.74417889300668 | epot = -21.1929928408453 | etot = -16.2071848782663 +773000 ekin = 2.33155635751522 | erot = 2.6544507323086 | epot = -21.3698964155412 | etot = -16.3838893257173 +774000 ekin = 2.48263962766135 | erot = 2.8220912557924 | epot = -21.5457273132849 | etot = -16.2409964298311 +775000 ekin = 2.54636977687259 | erot = 2.8805310925612 | epot = -21.7219905564994 | etot = -16.2950896870656 +776000 ekin = 2.69100265053998 | erot = 2.71778929652937 | epot = -21.8782095094712 | etot = -16.4694175624019 +777000 ekin = 2.78238726098687 | erot = 2.72823230983043 | epot = -21.9911064717658 | etot = -16.4804869009485 +778000 ekin = 2.78617187411065 | erot = 2.8281579045973 | epot = -22.0683537375471 | etot = -16.4540239588392 +779000 ekin = 2.84892593421593 | erot = 3.03438887674951 | epot = -22.1034747648818 | etot = -16.2201599539164 +780000 ekin = 2.88441601841625 | erot = 3.24511918270346 | epot = -22.0479241425115 | etot = -15.9183889413918 +781000 ekin = 2.79226579266258 | erot = 3.2154845993887 | epot = -21.8915863093268 | etot = -15.8838359172756 +782000 ekin = 2.68974173738947 | erot = 3.17926967086066 | epot = -21.6363560975055 | etot = -15.7673446892554 +783000 ekin = 2.79024932263256 | erot = 2.97774512624287 | epot = -21.2767108150315 | etot = -15.508716366156 +784000 ekin = 2.86449981533265 | erot = 2.69172267164048 | epot = -21.0080507326029 | etot = -15.4518282456298 +785000 ekin = 2.80952796629514 | erot = 2.46781875930137 | epot = -20.8778745868634 | etot = -15.6005278612669 +786000 ekin = 2.68208018815612 | erot = 2.29793991145938 | epot = -20.7982787985711 | etot = -15.8182586989556 +787000 ekin = 2.56813961255804 | erot = 2.41937763036865 | epot = -20.6982631250973 | etot = -15.7107458821706 +788000 ekin = 2.4885142786824 | erot = 2.49924394096823 | epot = -20.6407407229647 | etot = -15.6529825033141 +789000 ekin = 2.3498294671688 | erot = 2.56420624411944 | epot = -20.6454036959724 | etot = -15.7313679846842 +790000 ekin = 2.27171119767482 | erot = 2.49951341291571 | epot = -20.6777685520556 | etot = -15.9065439414651 +791000 ekin = 2.21794673443476 | erot = 2.30373156167342 | epot = -20.7335879448548 | etot = -16.2119096487466 +792000 ekin = 2.11119869207262 | erot = 2.39386074874952 | epot = -20.8097229220293 | etot = -16.3046634812072 +793000 ekin = 2.09149862321906 | erot = 2.33936906711444 | epot = -20.8989593305935 | etot = -16.46809164026 +794000 ekin = 2.07514167963969 | erot = 2.18864817793776 | epot = -21.0024824072391 | etot = -16.7386925496616 +795000 ekin = 2.04599756417535 | erot = 1.93255592397763 | epot = -21.1171979822075 | etot = -17.1386444940546 +796000 ekin = 2.0560011436673 | erot = 2.03200387694222 | epot = -21.2502268612632 | etot = -17.1622218406537 +797000 ekin = 2.02544049585112 | erot = 2.05143967820578 | epot = -21.378370482143 | etot = -17.3014903080861 +798000 ekin = 2.10531554228559 | erot = 1.92029368041684 | epot = -21.4968277215556 | etot = -17.4712184988532 +799000 ekin = 2.1606478877389 | erot = 1.68829576105986 | epot = -21.5739657591762 | etot = -17.7250221103775 +800000 ekin = 2.21578954821239 | erot = 1.79594742030852 | epot = -21.6039560547364 | etot = -17.5922190862155 +801000 ekin = 2.22681551829037 | erot = 1.74309621460745 | epot = -21.6419326028336 | etot = -17.6720208699357 +802000 ekin = 2.43626565180412 | erot = 1.8592236853584 | epot = -21.6656085836152 | etot = -17.3701192464527 +803000 ekin = 2.50783665003003 | erot = 1.58815243555118 | epot = -21.7145730789025 | etot = -17.6185839933213 +804000 ekin = 2.54745667479286 | erot = 1.78752251126699 | epot = -21.8111449940664 | etot = -17.4761658080066 +805000 ekin = 2.80080657856368 | erot = 2.23795086847339 | epot = -21.9683564899642 | etot = -16.9295990429271 +806000 ekin = 3.00571166515339 | erot = 2.5677199981865 | epot = -22.1621480951751 | etot = -16.5887164318352 +807000 ekin = 3.08052739942195 | erot = 2.70802004693301 | epot = -22.38170110091 | etot = -16.593153654555 +808000 ekin = 3.09356150914435 | erot = 2.92145006465354 | epot = -22.5983854951448 | etot = -16.5833739213469 +809000 ekin = 3.13660538877266 | erot = 2.76580118315201 | epot = -22.789892142321 | etot = -16.8874855703963 +810000 ekin = 3.19670438612171 | erot = 3.06033288356123 | epot = -22.9235249464186 | etot = -16.6664876767356 +811000 ekin = 3.24358248709609 | erot = 2.75433145479029 | epot = -22.9913244588516 | etot = -16.9934105169653 +812000 ekin = 3.15387712947307 | erot = 2.67472079387977 | epot = -22.995833823727 | etot = -17.1672359003741 +813000 ekin = 2.94730683854471 | erot = 2.78448217630015 | epot = -22.9500139539581 | etot = -17.2182249391133 +814000 ekin = 2.84152372531229 | erot = 2.94333861884889 | epot = -22.886106332815 | etot = -17.1012439886538 +815000 ekin = 2.76239406868071 | erot = 3.20738232683527 | epot = -22.8152543629747 | etot = -16.8454779674587 +816000 ekin = 2.59996655001222 | erot = 2.95415715753922 | epot = -22.7323176380797 | etot = -17.1781939305283 +817000 ekin = 2.5056850969174 | erot = 2.56873279594443 | epot = -22.6565557161091 | etot = -17.5821378232473 +818000 ekin = 2.36879357411276 | erot = 2.62740710803679 | epot = -22.5771576372442 | etot = -17.5809569550947 +819000 ekin = 2.2213715355314 | erot = 2.20921666744159 | epot = -22.5063000644072 | etot = -18.0757118614342 +820000 ekin = 2.15352101503093 | erot = 2.22634472649342 | epot = -22.4644595926824 | etot = -18.0845938511581 +821000 ekin = 2.02682142410431 | erot = 2.27918504666614 | epot = -22.4285107655757 | etot = -18.1225042948052 +822000 ekin = 1.96590621976957 | erot = 2.11933585708345 | epot = -22.3893132044858 | etot = -18.3040711276327 +823000 ekin = 1.87390236475586 | erot = 2.4383392862657 | epot = -22.3766834300092 | etot = -18.0644417789876 +824000 ekin = 1.76511965451641 | erot = 2.08632973064822 | epot = -22.3846955708834 | etot = -18.5332461857187 +825000 ekin = 1.72275906923827 | erot = 2.05491870773449 | epot = -22.4158544093968 | etot = -18.638176632424 +826000 ekin = 1.6542317303061 | erot = 1.9011808359787 | epot = -22.4865285736257 | etot = -18.9311160073409 +827000 ekin = 1.62203877403882 | erot = 2.11543908972364 | epot = -22.5672947980682 | etot = -18.8298169343057 +828000 ekin = 1.50840521352541 | erot = 1.94184045090041 | epot = -22.6360835929013 | etot = -19.1858379284755 +829000 ekin = 1.53133011832232 | erot = 2.23719923781426 | epot = -22.6642383844121 | etot = -18.8957090282755 +830000 ekin = 1.57674105329983 | erot = 2.32835034572891 | epot = -22.6990636526541 | etot = -18.7939722536254 +831000 ekin = 1.66163281968 | erot = 2.45366313846767 | epot = -22.7282270920055 | etot = -18.6129311338578 +832000 ekin = 1.61575752897166 | erot = 2.36469513945105 | epot = -22.7314805576168 | etot = -18.7510278891941 +833000 ekin = 1.5748462373096 | erot = 2.43716147593346 | epot = -22.7310267178688 | etot = -18.7190190046258 +834000 ekin = 1.61211592879595 | erot = 2.27369578072793 | epot = -22.723107314969 | etot = -18.8372956054451 +835000 ekin = 1.71255063217308 | erot = 2.25145179685536 | epot = -22.7213723561555 | etot = -18.757369927127 +836000 ekin = 1.66410080946976 | erot = 2.36287362112711 | epot = -22.7106963960627 | etot = -18.6837219654658 +837000 ekin = 1.55393537342694 | erot = 2.19682771054845 | epot = -22.7054421830654 | etot = -18.95467909909 +838000 ekin = 1.55395449542858 | erot = 1.97831033841727 | epot = -22.6952408411607 | etot = -19.1629760073149 +839000 ekin = 1.56966734032696 | erot = 1.54356794703242 | epot = -22.6819663107371 | etot = -19.5687310233777 +840000 ekin = 1.67828545417323 | erot = 1.72274710399372 | epot = -22.6537987135736 | etot = -19.2527661554066 +841000 ekin = 1.70756024783427 | erot = 1.86878110711764 | epot = -22.6201854793162 | etot = -19.0438441243643 +842000 ekin = 1.65445531752109 | erot = 1.98969497305258 | epot = -22.583445805341 | etot = -18.9392955147673 +843000 ekin = 1.61813041031379 | erot = 1.94297358984934 | epot = -22.5343209800153 | etot = -18.9732169798522 +844000 ekin = 1.66559589059779 | erot = 2.07459583566505 | epot = -22.4909419629538 | etot = -18.7507502366909 +845000 ekin = 1.67372319184744 | erot = 2.01531047458982 | epot = -22.4486472588292 | etot = -18.759613592392 +846000 ekin = 1.76456308419019 | erot = 2.04286196110417 | epot = -22.3907655586718 | etot = -18.5833405133775 +847000 ekin = 1.68474528716594 | erot = 1.9506218354464 | epot = -22.3219698462716 | etot = -18.6866027236593 +848000 ekin = 1.7769208083991 | erot = 1.9490334388676 | epot = -22.2732219412012 | etot = -18.5472676939345 +849000 ekin = 1.80865478838392 | erot = 1.92750105953155 | epot = -22.254397724897 | etot = -18.5182418769815 +850000 ekin = 1.81902433575234 | erot = 1.83695743097834 | epot = -22.2895798743212 | etot = -18.6335981075905 +851000 ekin = 1.89190920982903 | erot = 1.99438142785482 | epot = -22.3706877386968 | etot = -18.484397101013 +852000 ekin = 1.85572644981354 | erot = 2.08333690914979 | epot = -22.4954803882742 | etot = -18.5564170293108 +853000 ekin = 1.96819950961999 | erot = 2.4652206393425 | epot = -22.6461768022226 | etot = -18.2127566532601 +854000 ekin = 1.99027367747301 | erot = 2.82405245762167 | epot = -22.8233134890242 | etot = -18.0089873539295 +855000 ekin = 2.02041206494319 | erot = 2.76127853932356 | epot = -22.971921387783 | etot = -18.1902307835163 +856000 ekin = 1.98428835568691 | erot = 2.89398807390395 | epot = -23.0688189336956 | etot = -18.1905425041048 +857000 ekin = 1.94437625728123 | erot = 2.75841683957984 | epot = -23.1174862513581 | etot = -18.4146931544971 +858000 ekin = 1.77145748342589 | erot = 2.97613159793736 | epot = -23.092564103994 | etot = -18.3449750226308 +859000 ekin = 1.75449757825296 | erot = 2.94820975918207 | epot = -23.0174946494386 | etot = -18.3147873120036 +860000 ekin = 1.69824130829505 | erot = 2.56619342881162 | epot = -22.913827752011 | etot = -18.6493930149043 +861000 ekin = 1.61723118354539 | erot = 2.60723394433469 | epot = -22.7817384645188 | etot = -18.5572733366387 +862000 ekin = 1.65016805240501 | erot = 2.58826826537521 | epot = -22.6306365080481 | etot = -18.3922001902679 +863000 ekin = 1.62167782718969 | erot = 2.32265511280165 | epot = -22.4833247924562 | etot = -18.5389918524648 +864000 ekin = 1.64443917201354 | erot = 2.41694169973122 | epot = -22.3437317075484 | etot = -18.2823508358037 +865000 ekin = 1.62323607055498 | erot = 2.42797649715591 | epot = -22.2339680949553 | etot = -18.1827555272444 +866000 ekin = 1.52330589260455 | erot = 2.43806006674714 | epot = -22.1297693883002 | etot = -18.1684034289485 +867000 ekin = 1.53921563765445 | erot = 2.563486299306 | epot = -22.0395837686773 | etot = -17.9368818317168 +868000 ekin = 1.51596999193292 | erot = 2.55716270739037 | epot = -21.9937420973996 | etot = -17.9206093980763 +869000 ekin = 1.59814692070021 | erot = 2.15771580624648 | epot = -21.9767818689251 | etot = -18.2209191419784 +870000 ekin = 1.62438751257453 | erot = 2.30366665730433 | epot = -22.0119463158297 | etot = -18.0838921459509 +871000 ekin = 1.64699232624016 | erot = 2.29504943911151 | epot = -22.0696451748842 | etot = -18.1276034095325 +872000 ekin = 1.74936107688413 | erot = 1.9965562018104 | epot = -22.1253859835196 | etot = -18.3794687048251 +873000 ekin = 1.81958663572737 | erot = 2.15311518593397 | epot = -22.1932828259374 | etot = -18.2205810042761 +874000 ekin = 1.81429910947078 | erot = 2.15191422066098 | epot = -22.2521915372879 | etot = -18.2859782071562 +875000 ekin = 1.92774125135583 | erot = 2.09841769816796 | epot = -22.2950199590261 | etot = -18.2688610095023 +876000 ekin = 2.05205383202971 | erot = 1.71112886964838 | epot = -22.3353847724815 | etot = -18.5722020708034 +877000 ekin = 2.00183605232511 | erot = 1.88466440539805 | epot = -22.3587375372386 | etot = -18.4722370795154 +878000 ekin = 1.96978247022157 | erot = 1.9449250442233 | epot = -22.3467650368076 | etot = -18.4320575223628 +879000 ekin = 1.89978467382709 | erot = 2.08488575038812 | epot = -22.3245187946411 | etot = -18.3398483704259 +880000 ekin = 1.79316389452797 | erot = 2.04472659118319 | epot = -22.302273163246 | etot = -18.4643826775348 +881000 ekin = 1.84166442688194 | erot = 1.91254711303943 | epot = -22.2610385402073 | etot = -18.5068270002859 +882000 ekin = 1.8408423266687 | erot = 1.89291352333735 | epot = -22.2058993058574 | etot = -18.4721434558513 +883000 ekin = 1.85228381568774 | erot = 2.04568547305987 | epot = -22.1462287912866 | etot = -18.248259502539 +884000 ekin = 1.74299718480553 | erot = 2.41541515351066 | epot = -22.0952302162198 | etot = -17.9368178779037 +885000 ekin = 1.70113701127997 | erot = 2.12494075622537 | epot = -22.062426804351 | etot = -18.2363490368456 +886000 ekin = 1.65197597470454 | erot = 2.40636683283032 | epot = -22.0395749533763 | etot = -17.9812321458414 +887000 ekin = 1.60780982778138 | erot = 2.52410870186223 | epot = -22.0426576240104 | etot = -17.9107390943668 +888000 ekin = 1.62736239761613 | erot = 2.54417200799014 | epot = -22.0837991546735 | etot = -17.9122647490673 +889000 ekin = 1.56260633740652 | erot = 2.93015784124605 | epot = -22.1644353768148 | etot = -17.6716711981622 +890000 ekin = 1.59045576749902 | erot = 2.98817840520079 | epot = -22.2639211219211 | etot = -17.6852869492213 +891000 ekin = 1.56285966088235 | erot = 3.45684679212867 | epot = -22.3811052217737 | etot = -17.3613987687627 +892000 ekin = 1.54330427837286 | erot = 3.72585516837654 | epot = -22.4833521640577 | etot = -17.2141927173083 +893000 ekin = 1.59146757295502 | erot = 3.57834579864882 | epot = -22.5732593414834 | etot = -17.4034459698796 +894000 ekin = 1.62137337506942 | erot = 3.47314499517383 | epot = -22.6375279090018 | etot = -17.5430095387586 +895000 ekin = 1.66705900653875 | erot = 3.49716948137661 | epot = -22.662497563479 | etot = -17.4982690755636 +896000 ekin = 1.55030206729663 | erot = 3.09080759429039 | epot = -22.6660259737766 | etot = -18.0249163121896 +897000 ekin = 1.59716300254363 | erot = 3.18847114591564 | epot = -22.6447094591962 | etot = -17.8590753107369 +898000 ekin = 1.63846223090733 | erot = 3.52423413884989 | epot = -22.574807009085 | etot = -17.4121106393278 +899000 ekin = 1.76043242630049 | erot = 3.57817463535837 | epot = -22.5017519688559 | etot = -17.163144907197 +900000 ekin = 1.79654660125389 | erot = 3.47500564830083 | epot = -22.4355321588433 | etot = -17.1639799092886 +901000 ekin = 1.90036826124628 | erot = 3.08289582473982 | epot = -22.3778122198785 | etot = -17.3945481338924 +902000 ekin = 1.86184581507154 | erot = 3.53323519892372 | epot = -22.3343178452086 | etot = -16.9392368312133 +903000 ekin = 1.82612532908577 | erot = 2.94106563490189 | epot = -22.2753946825534 | etot = -17.5082037185658 +904000 ekin = 1.83566294124649 | erot = 2.77276060856724 | epot = -22.2178118874787 | etot = -17.609388337665 +905000 ekin = 1.98760022520663 | erot = 2.39033190744944 | epot = -22.1879073477142 | etot = -17.8099752150581 +906000 ekin = 2.03479331668647 | erot = 2.3344228531767 | epot = -22.1683021524764 | etot = -17.7990859826132 +907000 ekin = 2.13854534244443 | erot = 2.49897360264341 | epot = -22.1329919803681 | etot = -17.4954730352803 +908000 ekin = 2.29292980719163 | erot = 2.19971547335618 | epot = -22.0946544988967 | etot = -17.6020092183489 +909000 ekin = 2.26088767533455 | erot = 2.08032511956132 | epot = -22.0656471637075 | etot = -17.7244343688116 +910000 ekin = 2.24374768454178 | erot = 2.05633395261294 | epot = -22.0263801495314 | etot = -17.7262985123767 +911000 ekin = 2.21169387792337 | erot = 2.07671300621837 | epot = -21.9687563877776 | etot = -17.6803495036359 +912000 ekin = 2.26342827869161 | erot = 2.19424965405253 | epot = -21.8985767358688 | etot = -17.4408988031247 +913000 ekin = 2.25810530261834 | erot = 2.15174616543858 | epot = -21.8202885496123 | etot = -17.4104370815554 +914000 ekin = 2.22041757979622 | erot = 2.11296431351484 | epot = -21.7659012518376 | etot = -17.4325193585265 +915000 ekin = 2.305853852629 | erot = 2.01195201885935 | epot = -21.7105872613034 | etot = -17.392781389815 +916000 ekin = 2.31746417556327 | erot = 2.26468835944155 | epot = -21.6446439232134 | etot = -17.0624913882086 +917000 ekin = 2.29083855376978 | erot = 2.35266040877599 | epot = -21.5981818982044 | etot = -16.9546829356586 +918000 ekin = 2.21948812241411 | erot = 2.67757709393344 | epot = -21.5768387043403 | etot = -16.6797734879928 +919000 ekin = 2.17502484144239 | erot = 2.50505023715529 | epot = -21.5962136981092 | etot = -16.9161386195115 +920000 ekin = 2.05225364762306 | erot = 2.28466235959607 | epot = -21.6248903594501 | etot = -17.287974352231 +921000 ekin = 1.95826631852647 | erot = 2.44785811644796 | epot = -21.6449866661346 | etot = -17.2388622311601 +922000 ekin = 1.8871341631229 | erot = 2.20407498665728 | epot = -21.6433309330804 | etot = -17.5521217833002 +923000 ekin = 1.85499144920616 | erot = 2.47959433101658 | epot = -21.6219980061721 | etot = -17.2874122259493 +924000 ekin = 1.82449923254666 | erot = 2.43607326145231 | epot = -21.5811225363952 | etot = -17.3205500423962 +925000 ekin = 1.75365416618008 | erot = 2.67043382132047 | epot = -21.5654424680592 | etot = -17.1413544805586 +926000 ekin = 1.82728938436798 | erot = 2.42568919453246 | epot = -21.5649010983419 | etot = -17.3119225194415 +927000 ekin = 1.71111907930132 | erot = 2.49634793928696 | epot = -21.5869585210727 | etot = -17.3794915024844 +928000 ekin = 1.64740049787453 | erot = 2.53788896245496 | epot = -21.6442370240126 | etot = -17.4589475636831 +929000 ekin = 1.68616483039842 | erot = 2.26272805894195 | epot = -21.7404415309293 | etot = -17.7915486415889 +930000 ekin = 1.8057977284304 | erot = 2.41185782525222 | epot = -21.8766034841673 | etot = -17.6589479304847 +931000 ekin = 1.84540351564131 | erot = 2.51429545093936 | epot = -22.0343594511133 | etot = -17.6746604845327 +932000 ekin = 1.91948716688521 | erot = 2.50789246144377 | epot = -22.2107200997812 | etot = -17.7833404714522 +933000 ekin = 2.08806765098505 | erot = 2.54053118824105 | epot = -22.3857648909732 | etot = -17.7571660517471 +934000 ekin = 2.15790983141932 | erot = 2.35997810661384 | epot = -22.5303312795937 | etot = -18.0124433415605 +935000 ekin = 2.25791486609556 | erot = 2.61090003818589 | epot = -22.6566492075146 | etot = -17.7878343032331 +936000 ekin = 2.2869444991169 | erot = 2.88785018878652 | epot = -22.7387712915836 | etot = -17.5639766036801 +937000 ekin = 2.2598536597864 | erot = 2.68904834283381 | epot = -22.7546509524987 | etot = -17.8057489498784 +938000 ekin = 2.28814448881807 | erot = 2.54450017128294 | epot = -22.6975117726393 | etot = -17.8648671125383 +939000 ekin = 2.22181328679759 | erot = 2.40773891474627 | epot = -22.5724060300531 | etot = -17.9428538285092 +940000 ekin = 2.19047318059934 | erot = 2.24413418480581 | epot = -22.3825999688773 | etot = -17.9479926034721 +941000 ekin = 1.97789684715541 | erot = 2.11351242298739 | epot = -22.1581596355232 | etot = -18.0667503653804 +942000 ekin = 1.82283426551466 | erot = 2.02814504753835 | epot = -21.924507961928 | etot = -18.073528648875 +943000 ekin = 1.77337816859221 | erot = 1.98390662003463 | epot = -21.7436762740981 | etot = -17.9863914854713 +944000 ekin = 1.74129354400305 | erot = 2.0257017281874 | epot = -21.6008012672991 | etot = -17.8338059951087 +945000 ekin = 1.72896560635761 | erot = 2.20997508037831 | epot = -21.5146553493683 | etot = -17.5757146626324 +946000 ekin = 1.90743436358219 | erot = 2.1370577421747 | epot = -21.4832307541302 | etot = -17.4387386483733 +947000 ekin = 2.02837986664296 | erot = 2.29971426385137 | epot = -21.4794165970972 | etot = -17.1513224666028 +948000 ekin = 2.03783072880889 | erot = 2.11465543087132 | epot = -21.4989322229724 | etot = -17.3464460632922 +949000 ekin = 2.16990164235423 | erot = 1.99168801462282 | epot = -21.5364977264078 | etot = -17.3749080694307 +950000 ekin = 2.24527818420086 | erot = 2.12106218398242 | epot = -21.6200851503178 | etot = -17.2537447821345 +951000 ekin = 2.3597779491216 | erot = 2.09437757436112 | epot = -21.7182967003277 | etot = -17.264141176845 +952000 ekin = 2.43036880894168 | erot = 2.60988991207291 | epot = -21.809899640086 | etot = -16.7696409190714 +953000 ekin = 2.58164820046362 | erot = 2.62403788420646 | epot = -21.9145443047519 | etot = -16.7088582200818 +954000 ekin = 2.67569984169079 | erot = 2.49812470218404 | epot = -21.9760951843484 | etot = -16.8022706404736 +955000 ekin = 2.87107117646036 | erot = 2.70877614839088 | epot = -22.0056490566724 | etot = -16.4258017318211 +956000 ekin = 3.09772559509693 | erot = 2.62503444551598 | epot = -21.9996173766588 | etot = -16.2768573360459 +957000 ekin = 3.06387016722013 | erot = 2.8302356311836 | epot = -21.9356950338747 | etot = -16.0415892354709 +958000 ekin = 3.15191228693313 | erot = 2.56018473190256 | epot = -21.7995256048421 | etot = -16.0874285860064 +959000 ekin = 3.17671440940348 | erot = 2.48421513931016 | epot = -21.6207768556515 | etot = -15.9598473069379 +960000 ekin = 3.01275155897339 | erot = 2.43167379369326 | epot = -21.4002125286164 | etot = -15.9557871759497 +961000 ekin = 2.94603084982365 | erot = 2.28503967366068 | epot = -21.1407696110672 | etot = -15.9096990875828 +962000 ekin = 2.87549986152936 | erot = 2.267647953911 | epot = -20.8628900961518 | etot = -15.7197422807115 +963000 ekin = 2.72736350188626 | erot = 2.02845193195215 | epot = -20.6025221949833 | etot = -15.8467067611448 +964000 ekin = 2.55766914748418 | erot = 1.90275324626823 | epot = -20.3671083670073 | etot = -15.9066859732549 +965000 ekin = 2.42945571607617 | erot = 1.87896821137786 | epot = -20.1665878867718 | etot = -15.8581639593178 +966000 ekin = 2.30432659917244 | erot = 2.05976948112514 | epot = -20.0345331150776 | etot = -15.67043703478 +967000 ekin = 2.19239153699628 | erot = 2.23712663138571 | epot = -19.9304749138275 | etot = -15.5009567454455 +968000 ekin = 2.12056467996883 | erot = 2.29258395929203 | epot = -19.8478936102002 | etot = -15.4347449709393 +969000 ekin = 2.03082359465494 | erot = 2.12561043987624 | epot = -19.8204193361233 | etot = -15.6639853015921 +970000 ekin = 2.06263818101753 | erot = 2.20772735706048 | epot = -19.8171007442084 | etot = -15.5467352061304 +971000 ekin = 2.07242738755742 | erot = 2.39359294752823 | epot = -19.8426078132443 | etot = -15.3765874781586 +972000 ekin = 2.13593664400378 | erot = 2.51621155234874 | epot = -19.8711039585162 | etot = -15.2189557621637 +973000 ekin = 2.19239588059205 | erot = 2.7181784623389 | epot = -19.8806125652289 | etot = -14.9700382222979 +974000 ekin = 2.08126353721197 | erot = 2.92742241693149 | epot = -19.8623774194061 | etot = -14.8536914652627 +975000 ekin = 2.01107833245546 | erot = 2.57768138393004 | epot = -19.8162471815015 | etot = -15.227487465116 +976000 ekin = 1.90089112618327 | erot = 2.56071712862275 | epot = -19.7674234084296 | etot = -15.3058151536236 +977000 ekin = 1.82747564686913 | erot = 2.56117528028768 | epot = -19.6916974382103 | etot = -15.3030465110535 +978000 ekin = 1.81823178972961 | erot = 2.21507357950853 | epot = -19.6525909549582 | etot = -15.61928558572 +979000 ekin = 1.86020910008096 | erot = 2.09761460513785 | epot = -19.6622349612071 | etot = -15.7044112559883 +980000 ekin = 1.89813063132926 | erot = 1.86971657434364 | epot = -19.6793196081291 | etot = -15.9114724024562 +981000 ekin = 1.96055767456426 | erot = 1.80588067180873 | epot = -19.7616283768556 | etot = -15.9951900304826 +982000 ekin = 2.04211859099614 | erot = 2.00657086473459 | epot = -19.8926418366081 | etot = -15.8439523808774 +983000 ekin = 2.08434248544596 | erot = 2.13281702823352 | epot = -20.0190963786513 | etot = -15.8019368649718 +984000 ekin = 2.28263945352173 | erot = 2.30206381624253 | epot = -20.1817376775087 | etot = -15.5970344077445 +985000 ekin = 2.33165973691136 | erot = 2.36792674462211 | epot = -20.3496337869149 | etot = -15.6500473053814 +986000 ekin = 2.3684529633035 | erot = 2.40477790490969 | epot = -20.5172631957864 | etot = -15.7440323275732 +987000 ekin = 2.44660573334744 | erot = 2.6065659753273 | epot = -20.6827873919967 | etot = -15.6296156833219 +988000 ekin = 2.48779340096933 | erot = 2.57507657272567 | epot = -20.8472563124355 | etot = -15.7843863387405 +989000 ekin = 2.62562775055464 | erot = 2.78753506888642 | epot = -20.9917314563947 | etot = -15.5785686369537 +990000 ekin = 2.71356724749209 | erot = 3.06120975805148 | epot = -21.1004443459753 | etot = -15.3256673404317 +991000 ekin = 2.84485263345538 | erot = 3.42057995732924 | epot = -21.1508216928481 | etot = -14.8853891020635 +992000 ekin = 2.88616886571365 | erot = 3.47043505670966 | epot = -21.1491979980383 | etot = -14.792594075615 +993000 ekin = 2.86101706988292 | erot = 3.4017274067487 | epot = -21.1075232078294 | etot = -14.8447787311978 +994000 ekin = 2.90016396739777 | erot = 3.68400469179703 | epot = -21.0544509503875 | etot = -14.4702822911927 +995000 ekin = 2.84836922583208 | erot = 3.86724891436252 | epot = -20.9907241498287 | etot = -14.2751060096341 +996000 ekin = 2.87268648345994 | erot = 3.37952872488952 | epot = -20.9186469223171 | etot = -14.6664317139676 +997000 ekin = 2.84260788755105 | erot = 3.24170863045241 | epot = -20.8185896660925 | etot = -14.734273148089 +998000 ekin = 2.86644419268861 | erot = 3.30788437737345 | epot = -20.6892589093676 | etot = -14.5149303393055 +999000 ekin = 2.91762607565484 | erot = 3.19659159186089 | epot = -20.5404731144169 | etot = -14.4262554469012 +1000000 ekin = 2.92466509157894 | erot = 2.67428308534003 | epot = -20.3978646538617 | etot = -14.7989164769428 + 1000000 0.12998512 -1.3075422 0.032675661 -1.092075 0.0002012331 64000 +Loop time of 34.8089 on 1 procs for 1000000 steps with 16 atoms + +Performance: 24821.244 tau/day, 28728.292 timesteps/s +99.8% CPU use with 1 MPI tasks x no OpenMP threads + +MPI task timing breakdown: +Section | min time | avg time | max time |%varavg| %total +--------------------------------------------------------------- +Pair | 29.15 | 29.15 | 29.15 | 0.0 | 83.74 +Bond | 0.89192 | 0.89192 | 0.89192 | 0.0 | 2.56 +Neigh | 0.009135 | 0.009135 | 0.009135 | 0.0 | 0.03 +Comm | 0.3491 | 0.3491 | 0.3491 | 0.0 | 1.00 +Output | 0.15275 | 0.15275 | 0.15275 | 0.0 | 0.44 +Modify | 3.9719 | 3.9719 | 3.9719 | 0.0 | 11.41 +Other | | 0.2836 | | | 0.81 + +Nlocal: 16.0000 ave 16 max 16 min +Histogram: 1 0 0 0 0 0 0 0 0 0 +Nghost: 0.00000 ave 0 max 0 min +Histogram: 1 0 0 0 0 0 0 0 0 0 +Neighs: 107.000 ave 107 max 107 min +Histogram: 1 0 0 0 0 0 0 0 0 0 + +Total # of neighbors = 107 +Ave neighs/atom = 6.6875000 +Ave special neighs/atom = 3.7500000 +Neighbor list builds = 1000 +Dangerous builds = 0 + +write_data last_config.${number}.* nocoeff +write_data last_config.2.* nocoeff +System init for write_data ... +#write_restart last_config.${number}.* +Total wall time: 0:00:34 diff --git a/examples/PACKAGES/cgdna/examples/oxDNA2/duplex2/log.2Jul21.duplex2.g++.4 b/examples/PACKAGES/cgdna/examples/oxDNA2/duplex2/log.2Jul21.duplex2.g++.4 new file mode 100644 index 0000000000..037fb5273a --- /dev/null +++ b/examples/PACKAGES/cgdna/examples/oxDNA2/duplex2/log.2Jul21.duplex2.g++.4 @@ -0,0 +1,1183 @@ +LAMMPS (2 Jul 2021) +variable number equal 2 +variable ofreq equal 1000 +variable efreq equal 1000 +variable T equal 0.1 +variable rhos equal 0.2 + +units lj + +dimension 3 + +newton on + +boundary p p p + +atom_style hybrid bond ellipsoid oxdna +WARNING: Atom style hybrid defines both, per-type and per-atom masses; both must be set, but only per-atom masses will be used (../atom_vec_hybrid.cpp:157) +atom_modify sort 0 1.0 + +# Pair interactions require lists of neighbours to be calculated +neighbor 2.0 bin +neigh_modify every 1 delay 0 check yes + +read_data data.duplex2 +Reading data file ... + orthogonal box = (-20.000000 -20.000000 -20.000000) to (20.000000 20.000000 20.000000) + 1 by 2 by 2 MPI processor grid + reading atoms ... + 16 atoms + reading velocities ... + 16 velocities + scanning bonds ... + 1 = max bonds/atom + 16 ellipsoids + reading bonds ... + 13 bonds +Finding 1-2 1-3 1-4 neighbors ... + special bond factors lj: 0 0 0 + special bond factors coul: 0 0 0 + 2 = max # of 1-2 neighbors + 2 = max # of 1-3 neighbors + 4 = max # of 1-4 neighbors + 6 = max # of special neighbors + special bonds CPU = 0.001 seconds + read_data CPU = 0.005 seconds + +set atom * mass 3.1575 +Setting atom values ... + 16 settings made for mass + +group all type 1 4 +16 atoms in group all + +# oxDNA2 bond interactions - FENE backbone +bond_style oxdna2/fene +bond_coeff * 2.0 0.25 0.7564 +special_bonds lj 0 1 1 +Finding 1-2 1-3 1-4 neighbors ... + special bond factors lj: 0 1 1 + special bond factors coul: 0 0 0 + 2 = max # of 1-2 neighbors + 2 = max # of 1-3 neighbors + 4 = max # of 1-4 neighbors + 6 = max # of special neighbors + special bonds CPU = 0.000 seconds + +# oxDNA2 pair interactions +pair_style hybrid/overlay oxdna2/excv oxdna2/stk oxdna2/hbond oxdna2/xstk oxdna2/coaxstk oxdna2/dh +pair_coeff * * oxdna2/excv 2.0 0.7 0.675 2.0 0.515 0.5 2.0 0.33 0.32 +pair_coeff * * oxdna2/stk seqav ${T} 1.3523 2.6717 6.0 0.4 0.9 0.32 0.75 1.3 0 0.8 0.9 0 0.95 0.9 0 0.95 2.0 0.65 2.0 0.65 +pair_coeff * * oxdna2/stk seqav 0.1 1.3523 2.6717 6.0 0.4 0.9 0.32 0.75 1.3 0 0.8 0.9 0 0.95 0.9 0 0.95 2.0 0.65 2.0 0.65 +pair_coeff * * oxdna2/hbond seqav 0.0 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 +pair_coeff 1 4 oxdna2/hbond seqav 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 +pair_coeff 2 3 oxdna2/hbond seqav 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 +pair_coeff * * oxdna2/xstk 47.5 0.575 0.675 0.495 0.655 2.25 0.791592653589793 0.58 1.7 1.0 0.68 1.7 1.0 0.68 1.5 0 0.65 1.7 0.875 0.68 1.7 0.875 0.68 +pair_coeff * * oxdna2/coaxstk 58.5 0.4 0.6 0.22 0.58 2.0 2.891592653589793 0.65 1.3 0 0.8 0.9 0 0.95 0.9 0 0.95 40.0 3.116592653589793 +pair_coeff * * oxdna2/dh ${T} ${rhos} 0.815 +pair_coeff * * oxdna2/dh 0.1 ${rhos} 0.815 +pair_coeff * * oxdna2/dh 0.1 0.2 0.815 + +# NVE ensemble +fix 1 all nve/asphere +fix 2 all langevin ${T} ${T} 2.5 457145 angmom 10 +fix 2 all langevin 0.1 ${T} 2.5 457145 angmom 10 +fix 2 all langevin 0.1 0.1 2.5 457145 angmom 10 + +timestep 1e-5 + +#comm_style tiled +fix 3 all balance 1000 1.03 shift xyz 10 1.03 +comm_modify cutoff 3.8 + +compute quat all property/atom quatw quati quatj quatk + +compute erot all erotate/asphere +compute ekin all ke +compute epot all pe +variable erot equal c_erot +variable ekin equal c_ekin +variable epot equal c_epot +variable etot equal c_erot+c_ekin+c_epot +fix 5 all print ${efreq} "$(step) ekin = ${ekin} | erot = ${erot} | epot = ${epot} | etot = ${etot}" screen yes +fix 5 all print 1000 "$(step) ekin = ${ekin} | erot = ${erot} | epot = ${epot} | etot = ${etot}" screen yes + +dump out all custom ${ofreq} out.${number}.lammpstrj id mol type x y z ix iy iz vx vy vz c_quat[1] c_quat[2] c_quat[3] c_quat[4] angmomx angmomy angmomz +dump out all custom 1000 out.${number}.lammpstrj id mol type x y z ix iy iz vx vy vz c_quat[1] c_quat[2] c_quat[3] c_quat[4] angmomx angmomy angmomz +dump out all custom 1000 out.2.lammpstrj id mol type x y z ix iy iz vx vy vz c_quat[1] c_quat[2] c_quat[3] c_quat[4] angmomx angmomy angmomz +dump_modify out sort id +dump_modify out format line "%d %d %d %22.15le %22.15le %22.15le %d %d %d %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le" + +run 1000000 +Neighbor list info ... + update every 1 steps, delay 0 steps, check yes + max neighbors/atom: 2000, page size: 100000 + master list distance cutoff = 5.6389877 + ghost atom cutoff = 5.6389877 + binsize = 2.8194939, bins = 15 15 15 + 5 neighbor lists, perpetual/occasional/extra = 5 0 0 + (1) pair oxdna2/excv, perpetual + attributes: half, newton on + pair build: half/bin/newton + stencil: half/bin/3d + bin: standard + (2) pair oxdna2/hbond, perpetual, copy from (1) + attributes: half, newton on + pair build: copy + stencil: none + bin: none + (3) pair oxdna2/xstk, perpetual, copy from (1) + attributes: half, newton on + pair build: copy + stencil: none + bin: none + (4) pair oxdna2/coaxstk, perpetual, copy from (1) + attributes: half, newton on + pair build: copy + stencil: none + bin: none + (5) pair oxdna2/dh, perpetual, copy from (1) + attributes: half, newton on + pair build: copy + stencil: none + bin: none +WARNING: Communication cutoff adjusted to 5.638987723814632 (../comm.cpp:739) +0 ekin = 2.70475393009871 | erot = 2.80172072918779 | epot = -21.0482852787267 | etot = -15.5418106194402 +Per MPI rank memory allocation (min/avg/max) = 9.320 | 9.349 | 9.434 Mbytes +Step Temp E_pair E_mol TotEng Press Volume + 0 0.12021129 -1.3610384 0.045520537 -1.1464707 5.9660461e-05 64000 +1000 ekin = 2.72013629959678 | erot = 3.04690178503881 | epot = -20.8790776967073 | etot = -15.1120396120718 +2000 ekin = 2.78009554567455 | erot = 2.50647079931992 | epot = -20.701004729611 | etot = -15.4144383846165 +3000 ekin = 2.76688166744693 | erot = 2.2821949377072 | epot = -20.5676929006559 | etot = -15.5186162955017 +4000 ekin = 2.70260128929368 | erot = 2.27403484282169 | epot = -20.4705557396832 | etot = -15.4939196075678 +5000 ekin = 2.64234178224169 | erot = 2.30733191000246 | epot = -20.4236057646951 | etot = -15.4739320724509 +6000 ekin = 2.65801663486023 | erot = 2.39066626378174 | epot = -20.4246308066932 | etot = -15.3759479080513 +7000 ekin = 2.68316645880462 | erot = 2.33063300072947 | epot = -20.4749165048777 | etot = -15.4611170453436 +8000 ekin = 2.59120591314502 | erot = 2.05477906678441 | epot = -20.5631212612485 | etot = -15.917136281319 +9000 ekin = 2.65376648779415 | erot = 2.11575091090834 | epot = -20.6881173411843 | etot = -15.9185999424818 +10000 ekin = 2.77402134048096 | erot = 2.56538522546417 | epot = -20.812379085734 | etot = -15.4729725197889 +11000 ekin = 2.67401627862025 | erot = 2.88526848066389 | epot = -20.9238620704285 | etot = -15.3645773111444 +12000 ekin = 2.69364271301779 | erot = 2.6669991161831 | epot = -21.0407385357144 | etot = -15.6800967065135 +13000 ekin = 2.78352076266191 | erot = 2.62517780661365 | epot = -21.1720350247763 | etot = -15.7633364555008 +14000 ekin = 2.84595331390102 | erot = 2.43480334086398 | epot = -21.2963503704522 | etot = -16.0155937156872 +15000 ekin = 2.8890700970034 | erot = 2.41912745049439 | epot = -21.4150808543174 | etot = -16.1068833068196 +16000 ekin = 3.00758069356165 | erot = 2.63110801135323 | epot = -21.5261697271624 | etot = -15.8874810222475 +17000 ekin = 3.08749820661837 | erot = 2.53137980117209 | epot = -21.6092998996456 | etot = -15.9904218918551 +18000 ekin = 2.97601119892239 | erot = 2.53805591696759 | epot = -21.6415056622546 | etot = -16.1274385463646 +19000 ekin = 2.88488444737123 | erot = 2.5444118447944 | epot = -21.6205491988715 | etot = -16.1912529067058 +20000 ekin = 2.65941914113237 | erot = 2.80243564233624 | epot = -21.5551870578307 | etot = -16.0933322743621 +21000 ekin = 2.57547433431651 | erot = 2.74965527534454 | epot = -21.4613716405084 | etot = -16.1362420308473 +22000 ekin = 2.53510807627336 | erot = 2.7402974758743 | epot = -21.3396334655203 | etot = -16.0642279133727 +23000 ekin = 2.40091416401759 | erot = 2.4124516066547 | epot = -21.2029723825426 | etot = -16.3896066118703 +24000 ekin = 2.35240654345194 | erot = 2.10101829600973 | epot = -21.0659817341106 | etot = -16.6125568946489 +25000 ekin = 2.24250544456845 | erot = 2.18590508798994 | epot = -20.9513445132092 | etot = -16.5229339806508 +26000 ekin = 2.15423649133118 | erot = 2.45727700237462 | epot = -20.8669379085991 | etot = -16.2554244148933 +27000 ekin = 1.93524632585278 | erot = 2.346503038014 | epot = -20.8326435236231 | etot = -16.5508941597563 +28000 ekin = 1.7694332444345 | erot = 2.4135367579459 | epot = -20.8217433644358 | etot = -16.6387733620554 +29000 ekin = 1.75176430946873 | erot = 2.21029128532635 | epot = -20.8529129923908 | etot = -16.8908573975957 +30000 ekin = 1.69211824889093 | erot = 2.43399158562863 | epot = -20.9103885167126 | etot = -16.784278682193 +31000 ekin = 1.72526028314483 | erot = 2.32450864670446 | epot = -21.0087646424164 | etot = -16.9589957125671 +32000 ekin = 1.85144315905109 | erot = 2.36996515630933 | epot = -21.1366890377948 | etot = -16.9152807224344 +33000 ekin = 1.92914135939683 | erot = 2.5515717658971 | epot = -21.2867811906613 | etot = -16.8060680653674 +34000 ekin = 1.86488201964581 | erot = 2.7040070478884 | epot = -21.4771748939502 | etot = -16.908285826416 +35000 ekin = 1.82452979540547 | erot = 2.88148899883821 | epot = -21.6928620054228 | etot = -16.9868432111791 +36000 ekin = 1.85882387630628 | erot = 2.79217577332792 | epot = -21.8984987105764 | etot = -17.2474990609422 +37000 ekin = 1.92831232163801 | erot = 2.92698521263705 | epot = -22.0979488314928 | etot = -17.2426512972178 +38000 ekin = 1.93581630417405 | erot = 2.90317027989993 | epot = -22.2686450915844 | etot = -17.4296585075104 +39000 ekin = 2.01059319335205 | erot = 2.94480429938119 | epot = -22.3778651261378 | etot = -17.4224676334046 +40000 ekin = 1.97071041215323 | erot = 2.93286391865185 | epot = -22.417858975573 | etot = -17.5142846447679 +41000 ekin = 2.0574643445695 | erot = 2.6824269801062 | epot = -22.3807196920657 | etot = -17.64082836739 +42000 ekin = 2.09112509922765 | erot = 2.69685180517687 | epot = -22.290681194375 | etot = -17.5027042899705 +43000 ekin = 2.01814513009282 | erot = 2.85562815769076 | epot = -22.1601960046645 | etot = -17.286422716881 +44000 ekin = 1.92171799748094 | erot = 2.74064501961463 | epot = -22.0236920121947 | etot = -17.3613289950991 +45000 ekin = 1.81213357146534 | erot = 2.33969637171497 | epot = -21.9013900155102 | etot = -17.7495600723299 +46000 ekin = 1.7043188626816 | erot = 2.39010616929278 | epot = -21.7951136139009 | etot = -17.7006885819265 +47000 ekin = 1.66181647983358 | erot = 2.43237478783471 | epot = -21.6929795780581 | etot = -17.5987883103898 +48000 ekin = 1.60640851287361 | erot = 2.34869900597693 | epot = -21.5897329144351 | etot = -17.6346253955845 +49000 ekin = 1.52653989846239 | erot = 2.00084533105263 | epot = -21.5040522645286 | etot = -17.9766670350135 +50000 ekin = 1.44266718781295 | erot = 2.13453634177559 | epot = -21.4422830581905 | etot = -17.8650795286019 +51000 ekin = 1.43550636726017 | erot = 2.23006562743148 | epot = -21.3792358932285 | etot = -17.7136638985368 +52000 ekin = 1.4191758391953 | erot = 2.33479503366768 | epot = -21.3396501545003 | etot = -17.5856792816373 +53000 ekin = 1.50159149702875 | erot = 2.56353973620709 | epot = -21.3318420135023 | etot = -17.2667107802664 +54000 ekin = 1.53108046116777 | erot = 2.69431714698447 | epot = -21.3427130336451 | etot = -17.1173154254928 +55000 ekin = 1.57204496790938 | erot = 2.27080332163902 | epot = -21.3613604522622 | etot = -17.5185121627138 +56000 ekin = 1.49781857063062 | erot = 2.330860220466 | epot = -21.3901677321074 | etot = -17.5614889410108 +57000 ekin = 1.50326126671596 | erot = 2.187288742759 | epot = -21.4375848454805 | etot = -17.7470348360056 +58000 ekin = 1.56885163164473 | erot = 2.04781187994394 | epot = -21.4901198020449 | etot = -17.8734562904563 +59000 ekin = 1.64456875770868 | erot = 2.09216170303409 | epot = -21.5467238774713 | etot = -17.8099934167286 +60000 ekin = 1.61691925732048 | erot = 2.29542751813002 | epot = -21.6038795960772 | etot = -17.6915328206267 +61000 ekin = 1.65884539872101 | erot = 2.10847349489138 | epot = -21.6559771193386 | etot = -17.8886582257262 +62000 ekin = 1.72309094226649 | erot = 2.30407725612054 | epot = -21.7076104489969 | etot = -17.6804422506099 +63000 ekin = 1.68827086718391 | erot = 2.43329143180642 | epot = -21.7495751902359 | etot = -17.6280128912456 +64000 ekin = 1.77925986833295 | erot = 2.4393196588264 | epot = -21.7824788671424 | etot = -17.563899339983 +65000 ekin = 1.71201207010368 | erot = 2.05565281348585 | epot = -21.8004838491856 | etot = -18.0328189655961 +66000 ekin = 1.72258841195354 | erot = 1.89221111049374 | epot = -21.8042275382219 | etot = -18.1894280157747 +67000 ekin = 1.81093386427603 | erot = 1.97149822718467 | epot = -21.8237244535633 | etot = -18.0412923621026 +68000 ekin = 1.92086731218838 | erot = 2.04627775213357 | epot = -21.8538566840958 | etot = -17.8867116197738 +69000 ekin = 1.95769420352314 | erot = 2.00695954556819 | epot = -21.8959292342321 | etot = -17.9312754851408 +70000 ekin = 2.04640812952288 | erot = 1.99675167399822 | epot = -21.938534738798 | etot = -17.8953749352769 +71000 ekin = 2.09757818208426 | erot = 2.0109977376718 | epot = -21.9790979736474 | etot = -17.8705220538913 +72000 ekin = 2.17178409239857 | erot = 2.18113395841077 | epot = -22.0154687692559 | etot = -17.6625507184466 +73000 ekin = 2.15190632785483 | erot = 2.45126940688765 | epot = -22.0387524357625 | etot = -17.43557670102 +74000 ekin = 2.16265422451121 | erot = 2.15818555561667 | epot = -22.0321747353183 | etot = -17.7113349551904 +75000 ekin = 2.14414193832402 | erot = 1.98187999045808 | epot = -22.016729180432 | etot = -17.8907072516499 +76000 ekin = 2.24692887257273 | erot = 1.89718749935317 | epot = -21.9954563023384 | etot = -17.8513399304125 +77000 ekin = 2.23929641773363 | erot = 1.79331586377885 | epot = -21.9651666845263 | etot = -17.9325544030138 +78000 ekin = 2.25131896609576 | erot = 1.81371170007281 | epot = -21.9326569846906 | etot = -17.867626318522 +79000 ekin = 2.27306161178815 | erot = 1.71185434931877 | epot = -21.8897569865356 | etot = -17.9048410254286 +80000 ekin = 2.39399894443316 | erot = 1.35732464587509 | epot = -21.8616153060319 | etot = -18.1102917157236 +81000 ekin = 2.47373459732179 | erot = 1.54787737363669 | epot = -21.8542089705402 | etot = -17.8325969995817 +82000 ekin = 2.47280496509126 | erot = 1.57756404285385 | epot = -21.8821357876168 | etot = -17.8317667796717 +83000 ekin = 2.48717741782569 | erot = 1.71069094857344 | epot = -21.9195089096536 | etot = -17.7216405432544 +84000 ekin = 2.44796638425883 | erot = 2.01404972344725 | epot = -21.9668916260736 | etot = -17.5048755183675 +85000 ekin = 2.39574083195474 | erot = 2.32413660190237 | epot = -22.0180542299228 | etot = -17.2981767960657 +86000 ekin = 2.48782292320372 | erot = 1.96978488305041 | epot = -22.0725803391445 | etot = -17.6149725328904 +87000 ekin = 2.57930151405763 | erot = 2.25709021389148 | epot = -22.1348945159439 | etot = -17.2985027879948 +88000 ekin = 2.69560248974116 | erot = 2.13715554675384 | epot = -22.1930571194781 | etot = -17.3602990829831 +89000 ekin = 2.72380030029138 | erot = 2.11665976738327 | epot = -22.2588492472982 | etot = -17.4183891796236 +90000 ekin = 2.77758204434581 | erot = 2.30871679266152 | epot = -22.3316634662031 | etot = -17.2453646291958 +91000 ekin = 2.78121426761668 | erot = 2.06238861884246 | epot = -22.3950019314359 | etot = -17.5513990449768 +92000 ekin = 2.82075935404347 | erot = 2.27555189363852 | epot = -22.4458982217014 | etot = -17.3495869740194 +93000 ekin = 2.74234324408907 | erot = 2.73218737047997 | epot = -22.4777668035592 | etot = -17.0032361889902 +94000 ekin = 2.70595529611238 | erot = 2.82191939458418 | epot = -22.4719589759705 | etot = -16.944084285274 +95000 ekin = 2.60066897821245 | erot = 2.87810504187076 | epot = -22.4346047957432 | etot = -16.95583077566 +96000 ekin = 2.62624076118218 | erot = 3.1451658917906 | epot = -22.3619497140361 | etot = -16.5905430610633 +97000 ekin = 2.53528413246974 | erot = 2.79030318337088 | epot = -22.2496930254015 | etot = -16.9241057095608 +98000 ekin = 2.63666210187964 | erot = 2.76857448865095 | epot = -22.149163040074 | etot = -16.7439264495434 +99000 ekin = 2.65483668512625 | erot = 2.78595031296346 | epot = -22.0460055113192 | etot = -16.6052185132295 +100000 ekin = 2.61516760613041 | erot = 2.20131962587004 | epot = -21.9508073892686 | etot = -17.1343201572682 +101000 ekin = 2.54624393295478 | erot = 2.36995664901277 | epot = -21.874080469839 | etot = -16.9578798878715 +102000 ekin = 2.51242302732691 | erot = 2.61025478737434 | epot = -21.821356011813 | etot = -16.6986781971117 +103000 ekin = 2.47093986976506 | erot = 2.46981056153037 | epot = -21.79403310556 | etot = -16.8532826742646 +104000 ekin = 2.46347963016625 | erot = 2.4900807375805 | epot = -21.7873646863929 | etot = -16.8338043186462 +105000 ekin = 2.3862533318021 | erot = 2.6233826819291 | epot = -21.7895340190365 | etot = -16.7798980053053 +106000 ekin = 2.31544255190003 | erot = 2.76529048503058 | epot = -21.7908248307261 | etot = -16.7100917937954 +107000 ekin = 2.35684717555668 | erot = 2.65933844478903 | epot = -21.7713781480756 | etot = -16.7551925277298 +108000 ekin = 2.29901143856413 | erot = 2.67802590245662 | epot = -21.731145444531 | etot = -16.7541081035102 +109000 ekin = 2.32828462660089 | erot = 2.93774189015161 | epot = -21.6703154087737 | etot = -16.4042888920212 +110000 ekin = 2.27463751555908 | erot = 2.84342022670562 | epot = -21.586603103015 | etot = -16.4685453607503 +111000 ekin = 2.1773579490944 | erot = 2.5067816826673 | epot = -21.4648745015602 | etot = -16.7807348697985 +112000 ekin = 2.18549959507201 | erot = 2.55181336139712 | epot = -21.2989895507538 | etot = -16.5616765942846 +113000 ekin = 2.17304263256836 | erot = 2.34739205656804 | epot = -21.1119565159274 | etot = -16.591521826791 +114000 ekin = 2.12510806931591 | erot = 2.37674761233514 | epot = -20.9271632839065 | etot = -16.4253076022555 +115000 ekin = 2.06139325414462 | erot = 2.59024149702718 | epot = -20.7601756973165 | etot = -16.1085409461447 +116000 ekin = 2.00592136714093 | erot = 2.63732939337329 | epot = -20.6295174385157 | etot = -15.9862666780015 +117000 ekin = 2.00329160062505 | erot = 2.56870813228612 | epot = -20.5296446810239 | etot = -15.9576449481127 +118000 ekin = 2.01742809755797 | erot = 2.469445062841 | epot = -20.4506063861922 | etot = -15.9637332257932 +119000 ekin = 1.98594704489151 | erot = 2.26746616716462 | epot = -20.4288828122727 | etot = -16.1754696002165 +120000 ekin = 1.94483011509439 | erot = 2.33696205000848 | epot = -20.4423833948786 | etot = -16.1605912297757 +121000 ekin = 2.12792735290839 | erot = 2.36924962566047 | epot = -20.4991944142889 | etot = -16.0020174357201 +122000 ekin = 2.10495427089311 | erot = 2.48776527931775 | epot = -20.5743254155956 | etot = -15.9816058653848 +123000 ekin = 2.17541547748968 | erot = 2.84180455684321 | epot = -20.6672573168904 | etot = -15.6500372825575 +124000 ekin = 2.1958532357068 | erot = 2.8121953989093 | epot = -20.7617372386156 | etot = -15.7536886039995 +125000 ekin = 2.23956101001647 | erot = 2.84608901602509 | epot = -20.8364418009789 | etot = -15.7507917749374 +126000 ekin = 2.29874303635711 | erot = 3.12890547205367 | epot = -20.8639002292412 | etot = -15.4362517208304 +127000 ekin = 2.34552442074452 | erot = 2.96762996381655 | epot = -20.8482814122637 | etot = -15.5351270277026 +128000 ekin = 2.38042396339137 | erot = 2.39829809100053 | epot = -20.7821422786063 | etot = -16.0034202242144 +129000 ekin = 2.38818705381736 | erot = 2.14510497375848 | epot = -20.7080443781178 | etot = -16.174752350542 +130000 ekin = 2.27293411796485 | erot = 2.06717107329833 | epot = -20.6807223801437 | etot = -16.3406171888805 +131000 ekin = 2.28550173826509 | erot = 1.94055567970244 | epot = -20.6369898880997 | etot = -16.4109324701322 +132000 ekin = 2.26691955879916 | erot = 1.7185353165747 | epot = -20.5775405075239 | etot = -16.59208563215 +133000 ekin = 2.29137866879746 | erot = 1.62868472043511 | epot = -20.5420933212006 | etot = -16.622029931968 +134000 ekin = 2.25290206497444 | erot = 1.68278061233808 | epot = -20.518309736376 | etot = -16.5826270590635 +135000 ekin = 2.14285941072852 | erot = 1.86118396103702 | epot = -20.5054969500187 | etot = -16.5014535782532 +136000 ekin = 2.12990199371937 | erot = 2.0435912460087 | epot = -20.5201047968038 | etot = -16.3466115570758 +137000 ekin = 2.07754853855318 | erot = 1.83088096227382 | epot = -20.5722472452262 | etot = -16.6638177443992 +138000 ekin = 2.15013934154991 | erot = 2.00941220949274 | epot = -20.6677795604911 | etot = -16.5082280094485 +139000 ekin = 2.20517582266495 | erot = 1.94652682269836 | epot = -20.7931525252623 | etot = -16.641449879899 +140000 ekin = 2.33731236767263 | erot = 1.96166026745084 | epot = -20.931086877455 | etot = -16.6321142423315 +141000 ekin = 2.24448516285996 | erot = 2.27879036592838 | epot = -21.0648426319456 | etot = -16.5415671031572 +142000 ekin = 2.19315323753824 | erot = 2.32670116857762 | epot = -21.1877747983341 | etot = -16.6679203922183 +143000 ekin = 2.15154828396331 | erot = 2.38826183428094 | epot = -21.313728726892 | etot = -16.7739186086477 +144000 ekin = 2.10225107667117 | erot = 2.4032470972608 | epot = -21.4354683955926 | etot = -16.9299702216606 +145000 ekin = 2.06221666396515 | erot = 2.32981540966426 | epot = -21.5580653796757 | etot = -17.1660333060463 +146000 ekin = 2.15268481715568 | erot = 2.24715096803357 | epot = -21.6452484907075 | etot = -17.2454127055182 +147000 ekin = 2.13045113501535 | erot = 2.24956262085637 | epot = -21.724100810277 | etot = -17.3440870544053 +148000 ekin = 2.14237927540745 | erot = 2.32388813542669 | epot = -21.8239853334793 | etot = -17.3577179226451 +149000 ekin = 2.13016451804412 | erot = 2.31003298264322 | epot = -21.9413859720017 | etot = -17.5011884713144 +150000 ekin = 2.11189415929176 | erot = 2.27040882248852 | epot = -22.0736176258279 | etot = -17.6913146440477 +151000 ekin = 2.08490791036349 | erot = 2.53796433942563 | epot = -22.1831326518405 | etot = -17.5602604020514 +152000 ekin = 2.05056796581082 | erot = 2.74378211496589 | epot = -22.270737007316 | etot = -17.4763869265393 +153000 ekin = 2.01058950481921 | erot = 2.62970741316335 | epot = -22.3376436760764 | etot = -17.6973467580938 +154000 ekin = 2.01943769577485 | erot = 2.39009828792402 | epot = -22.4001638198036 | etot = -17.9906278361048 +155000 ekin = 2.05430763784557 | erot = 2.40978970203085 | epot = -22.4403746514588 | etot = -17.9762773115824 +156000 ekin = 2.10246203476585 | erot = 2.31628625090994 | epot = -22.394749627823 | etot = -17.9760013421472 +157000 ekin = 2.20121785931646 | erot = 2.26047844907502 | epot = -22.3626746382072 | etot = -17.9009783298157 +158000 ekin = 2.16806247020234 | erot = 2.01859116115329 | epot = -22.3794788142261 | etot = -18.1928251828704 +159000 ekin = 2.20647608921308 | erot = 2.03708981782409 | epot = -22.3933404563958 | etot = -18.1497745493587 +160000 ekin = 2.28482979303704 | erot = 2.066722957277 | epot = -22.3929715093607 | etot = -18.0414187590467 +161000 ekin = 2.3540844152636 | erot = 2.11425691782641 | epot = -22.3845712470916 | etot = -17.9162299140016 +162000 ekin = 2.44383531112357 | erot = 2.0514217263269 | epot = -22.3873594705053 | etot = -17.8921024330549 +163000 ekin = 2.38397054654223 | erot = 2.18088509829515 | epot = -22.40469289024 | etot = -17.8398372454027 +164000 ekin = 2.36323785475508 | erot = 2.24099333696004 | epot = -22.4304254420049 | etot = -17.8261942502898 +165000 ekin = 2.42861068657717 | erot = 2.32334175306815 | epot = -22.4693846686273 | etot = -17.717432228982 +166000 ekin = 2.49646527013115 | erot = 2.76008268343012 | epot = -22.5024150074812 | etot = -17.2458670539199 +167000 ekin = 2.39742733231171 | erot = 2.66606455445543 | epot = -22.5059226951214 | etot = -17.4424308083543 +168000 ekin = 2.48222864422392 | erot = 2.12985047091145 | epot = -22.4839259607868 | etot = -17.8718468456514 +169000 ekin = 2.34389140284733 | erot = 2.23877784986576 | epot = -22.4355001459225 | etot = -17.8528308932094 +170000 ekin = 2.27819176115945 | erot = 2.38937348011867 | epot = -22.3963232925856 | etot = -17.7287580513075 +171000 ekin = 2.26183375697861 | erot = 2.66308813167602 | epot = -22.3493672389156 | etot = -17.4244453502609 +172000 ekin = 2.27023963981114 | erot = 2.54732213285246 | epot = -22.2868682454191 | etot = -17.4693064727555 +173000 ekin = 2.19713801069003 | erot = 2.39492663110728 | epot = -22.2067306662318 | etot = -17.6146660244345 +174000 ekin = 2.08128149693204 | erot = 2.65361881164583 | epot = -22.1239183165144 | etot = -17.3890180079365 +175000 ekin = 2.03179136441166 | erot = 2.65769159317987 | epot = -22.0831649919726 | etot = -17.3936820343811 +176000 ekin = 1.92235220335471 | erot = 2.46758244642915 | epot = -22.0704760764065 | etot = -17.6805414266226 +177000 ekin = 1.87676295332749 | erot = 2.76485058121257 | epot = -22.0943278887429 | etot = -17.4527143542029 +178000 ekin = 1.8196851112204 | erot = 3.06889049439809 | epot = -22.1713258315081 | etot = -17.2827502258896 +179000 ekin = 1.8323945353073 | erot = 2.97256669493282 | epot = -22.3031073057819 | etot = -17.4981460755418 +180000 ekin = 1.7862108322255 | erot = 3.29401414659433 | epot = -22.4701387604057 | etot = -17.3899137815859 +181000 ekin = 1.88518185298461 | erot = 3.13321574647634 | epot = -22.6327591209889 | etot = -17.614361521528 +182000 ekin = 1.91900100882685 | erot = 2.86862183641669 | epot = -22.7815951170127 | etot = -17.9939722717692 +183000 ekin = 2.05132570727835 | erot = 3.08267197262661 | epot = -22.9092206864366 | etot = -17.7752230065317 +184000 ekin = 2.06184088528513 | erot = 3.2007444069869 | epot = -23.026874061216 | etot = -17.764288768944 +185000 ekin = 2.09012289683652 | erot = 3.47009431072618 | epot = -23.1337090395151 | etot = -17.5734918319524 +186000 ekin = 2.23866301207357 | erot = 3.60859469886113 | epot = -23.1738137395736 | etot = -17.3265560286389 +187000 ekin = 2.42181473602157 | erot = 3.85086245359642 | epot = -23.1972395336004 | etot = -16.9245623439824 +188000 ekin = 2.41473791720851 | erot = 4.13943673363425 | epot = -23.3136601494469 | etot = -16.7594854986041 +189000 ekin = 2.40456237424771 | erot = 4.00070701501254 | epot = -23.3710796524501 | etot = -16.9658102631899 +190000 ekin = 2.39275066416795 | erot = 3.65894410977818 | epot = -23.3540165218531 | etot = -17.302321747907 +191000 ekin = 2.40766626916768 | erot = 4.27535474629226 | epot = -23.2939306874287 | etot = -16.6109096719687 +192000 ekin = 2.38476057345238 | erot = 4.12521169410233 | epot = -23.192209272554 | etot = -16.6822370049993 +193000 ekin = 2.26302104637805 | erot = 3.77794026184495 | epot = -23.0633113366603 | etot = -17.0223500284373 +194000 ekin = 2.10155057993348 | erot = 3.49922681191469 | epot = -22.9254751366501 | etot = -17.3246977448019 +195000 ekin = 2.03962481718059 | erot = 3.2525960289961 | epot = -22.7698073537311 | etot = -17.4775865075544 +196000 ekin = 2.06049369787793 | erot = 2.84778946059541 | epot = -22.5997694102264 | etot = -17.6914862517531 +197000 ekin = 2.03160567713315 | erot = 2.3737082845698 | epot = -22.4368418077992 | etot = -18.0315278460962 +198000 ekin = 2.08676704026165 | erot = 2.194825314428 | epot = -22.262282374821 | etot = -17.9806900201313 +199000 ekin = 2.05269408710196 | erot = 2.16400413646385 | epot = -22.1035002649821 | etot = -17.8868020414163 +200000 ekin = 2.01411832170952 | erot = 2.38698541496904 | epot = -21.9546297375273 | etot = -17.5535260008487 +201000 ekin = 2.01209192808751 | erot = 2.38205260132393 | epot = -21.8390879180561 | etot = -17.4449433886447 +202000 ekin = 1.90781796628429 | erot = 2.36530018659066 | epot = -21.7246902929987 | etot = -17.4515721401238 +203000 ekin = 1.80024846565405 | erot = 2.34259351313114 | epot = -21.6159774827442 | etot = -17.473135503959 +204000 ekin = 1.68484818472337 | erot = 2.41487740212517 | epot = -21.5446736069976 | etot = -17.4449480201491 +205000 ekin = 1.62792813458292 | erot = 2.51982872964279 | epot = -21.5011323457792 | etot = -17.3533754815535 +206000 ekin = 1.5541106497836 | erot = 2.69683235574068 | epot = -21.4677288967242 | etot = -17.2167858911999 +207000 ekin = 1.51044177325205 | erot = 2.86067615909032 | epot = -21.441622367489 | etot = -17.0705044351466 +208000 ekin = 1.46178623775167 | erot = 3.09687215817324 | epot = -21.3952301582475 | etot = -16.8365717623226 +209000 ekin = 1.49930719102405 | erot = 2.64986686100826 | epot = -21.3194384463854 | etot = -17.1702643943531 +210000 ekin = 1.48596643994184 | erot = 2.49507203528878 | epot = -21.2123168093856 | etot = -17.231278334155 +211000 ekin = 1.51700235708599 | erot = 2.8598249058151 | epot = -21.0854390229478 | etot = -16.7086117600467 +212000 ekin = 1.4769987196861 | erot = 2.51260914037795 | epot = -20.9565961085738 | etot = -16.9669882485097 +213000 ekin = 1.58916579351318 | erot = 2.6166112188408 | epot = -20.8229216474678 | etot = -16.6171446351139 +214000 ekin = 1.62272322843375 | erot = 2.4227328031145 | epot = -20.7122766474857 | etot = -16.6668206159375 +215000 ekin = 1.66159030501753 | erot = 2.39943071607585 | epot = -20.6287014799335 | etot = -16.5676804588401 +216000 ekin = 1.74578478011186 | erot = 2.33284367785394 | epot = -20.5774611193671 | etot = -16.4988326614013 +217000 ekin = 1.86008672447751 | erot = 2.48365359198229 | epot = -20.5783803604758 | etot = -16.234640044016 +218000 ekin = 1.8869320617951 | erot = 2.6181764126077 | epot = -20.6245681941581 | etot = -16.1194597197553 +219000 ekin = 1.99545846855293 | erot = 2.51280586705981 | epot = -20.6722755262305 | etot = -16.1640111906177 +220000 ekin = 2.07891649227179 | erot = 2.43958393551873 | epot = -20.7460641755863 | etot = -16.2275637477958 +221000 ekin = 2.07405609075884 | erot = 2.36260767845185 | epot = -20.8472863845647 | etot = -16.410622615354 +222000 ekin = 2.10307745764193 | erot = 2.54950611704615 | epot = -20.9726401140735 | etot = -16.3200565393854 +223000 ekin = 2.02990560702866 | erot = 2.36445779587678 | epot = -21.0835627182507 | etot = -16.6891993153453 +224000 ekin = 2.16888148730441 | erot = 2.48643165117696 | epot = -21.1978785829808 | etot = -16.5425654444994 +225000 ekin = 2.30521694661663 | erot = 2.40413284955322 | epot = -21.3143167094639 | etot = -16.604966913294 +226000 ekin = 2.42660104949002 | erot = 2.10961133192976 | epot = -21.4003288303493 | etot = -16.8641164489295 +227000 ekin = 2.51989265457919 | erot = 2.19538124871698 | epot = -21.4710250786465 | etot = -16.7557511753503 +228000 ekin = 2.68551344341405 | erot = 2.30229521160068 | epot = -21.5296149017979 | etot = -16.5418062467832 +229000 ekin = 2.59976522820191 | erot = 2.51681087235226 | epot = -21.5666762700903 | etot = -16.4501001695361 +230000 ekin = 2.58503359291809 | erot = 2.17214995252273 | epot = -21.5872332974481 | etot = -16.8300497520073 +231000 ekin = 2.62353866357513 | erot = 2.17431567394794 | epot = -21.5820516856057 | etot = -16.7841973480826 +232000 ekin = 2.59120478967395 | erot = 2.3400691279725 | epot = -21.567210238379 | etot = -16.6359363207325 +233000 ekin = 2.51791287332684 | erot = 2.16488342987894 | epot = -21.5519147308628 | etot = -16.869118427657 +234000 ekin = 2.48481380355981 | erot = 2.21816982784484 | epot = -21.5223665657166 | etot = -16.8193829343119 +235000 ekin = 2.41086403910156 | erot = 2.10316509959359 | epot = -21.4789613614541 | etot = -16.9649322227589 +236000 ekin = 2.40928284749447 | erot = 1.88888489131684 | epot = -21.4361120637084 | etot = -17.137944324897 +237000 ekin = 2.5630156400106 | erot = 1.7367156365967 | epot = -21.4280913003547 | etot = -17.1283600237474 +238000 ekin = 2.55765653830761 | erot = 1.9091407981951 | epot = -21.4255674324868 | etot = -16.9587700959841 +239000 ekin = 2.62181377631216 | erot = 2.06765286499141 | epot = -21.4529783008629 | etot = -16.7635116595593 +240000 ekin = 2.64076354676114 | erot = 2.31865643186815 | epot = -21.5224999667007 | etot = -16.5630799880714 +241000 ekin = 2.67609348690634 | erot = 2.52623661982357 | epot = -21.6079626104589 | etot = -16.405632503729 +242000 ekin = 2.6355810936148 | erot = 2.91329495494516 | epot = -21.6817125781001 | etot = -16.1328365295402 +243000 ekin = 2.76874739439922 | erot = 3.19547631893862 | epot = -21.7299185420903 | etot = -15.7656948287524 +244000 ekin = 2.76082392607162 | erot = 2.99738855544011 | epot = -21.7654799309604 | etot = -16.0072674494486 +245000 ekin = 2.84856552527555 | erot = 3.55610399773012 | epot = -21.7868813066435 | etot = -15.3822117836379 +246000 ekin = 2.74592112218097 | erot = 3.46897250198827 | epot = -21.7812302083599 | etot = -15.5663365841907 +247000 ekin = 2.62843885877444 | erot = 3.39159127928965 | epot = -21.7507462517777 | etot = -15.7307161137136 +248000 ekin = 2.62657990237121 | erot = 2.96254281821258 | epot = -21.6850863371036 | etot = -16.0959636165198 +249000 ekin = 2.64689987490177 | erot = 2.46750058971842 | epot = -21.6214034121613 | etot = -16.5070029475411 +250000 ekin = 2.59258413901045 | erot = 1.95894591185236 | epot = -21.5523796219696 | etot = -17.0008495711068 +251000 ekin = 2.50508525922234 | erot = 1.94700044531522 | epot = -21.4856406393062 | etot = -17.0335549347686 +252000 ekin = 2.36206141186087 | erot = 2.03422118114506 | epot = -21.4223545940682 | etot = -17.0260720010623 +253000 ekin = 2.30935060528389 | erot = 1.94736645762203 | epot = -21.3716222045376 | etot = -17.1149051416316 +254000 ekin = 2.25274596934999 | erot = 1.98706179687154 | epot = -21.3578828633466 | etot = -17.1180750971251 +255000 ekin = 2.24877704371079 | erot = 1.94793350141006 | epot = -21.3679438916481 | etot = -17.1712333465272 +256000 ekin = 2.15038460246949 | erot = 2.13536641645852 | epot = -21.3873823966766 | etot = -17.1016313777486 +257000 ekin = 2.14820686493285 | erot = 1.95792063838262 | epot = -21.401629803036 | etot = -17.2955022997205 +258000 ekin = 2.21551042205349 | erot = 2.08286212737981 | epot = -21.4265487793699 | etot = -17.1281762299366 +259000 ekin = 2.06173733154787 | erot = 1.93722502209152 | epot = -21.4284901665386 | etot = -17.4295278128993 +260000 ekin = 1.9577918439207 | erot = 2.10071945094404 | epot = -21.4431554356543 | etot = -17.3846441407896 +261000 ekin = 1.8911187304064 | erot = 2.27491420373971 | epot = -21.4742539366704 | etot = -17.3082210025243 +262000 ekin = 1.81155628887096 | erot = 2.76845022524661 | epot = -21.5133565631458 | etot = -16.9333500490283 +263000 ekin = 1.78548461411777 | erot = 2.58995272844153 | epot = -21.5741933378567 | etot = -17.1987559952974 +264000 ekin = 1.70470903910486 | erot = 2.5274072213014 | epot = -21.6543975630333 | etot = -17.4222813026271 +265000 ekin = 1.70456921180777 | erot = 2.91128169616597 | epot = -21.7314640373147 | etot = -17.1156131293409 +266000 ekin = 1.70108763348248 | erot = 3.15353043902158 | epot = -21.8059636436343 | etot = -16.9513455711302 +267000 ekin = 1.68792919988866 | erot = 2.90455900057167 | epot = -21.8707326483041 | etot = -17.2782444478438 +268000 ekin = 1.72057453763242 | erot = 2.62604659087858 | epot = -21.9225381178384 | etot = -17.5759169893274 +269000 ekin = 1.78712640141421 | erot = 2.75599254857452 | epot = -21.9527991628362 | etot = -17.4096802128475 +270000 ekin = 1.72857790804082 | erot = 2.80083154386424 | epot = -21.9488059520794 | etot = -17.4193965001743 +271000 ekin = 1.640994287753 | erot = 2.64687538276781 | epot = -21.9170243489263 | etot = -17.6291546784055 +272000 ekin = 1.58570258321566 | erot = 2.46968320121799 | epot = -21.8446210346507 | etot = -17.7892352502171 +273000 ekin = 1.63767201216311 | erot = 2.19946786706654 | epot = -21.763892987694 | etot = -17.9267531084644 +274000 ekin = 1.59847478128864 | erot = 2.30908990938624 | epot = -21.6682431397428 | etot = -17.760678449068 +275000 ekin = 1.48392569489375 | erot = 2.19949617068957 | epot = -21.5548162861331 | etot = -17.8713944205498 +276000 ekin = 1.39307584924626 | erot = 2.2303953843847 | epot = -21.4256702629284 | etot = -17.8021990292975 +277000 ekin = 1.32228191847657 | erot = 2.1398360682965 | epot = -21.3067538507251 | etot = -17.844635863952 +278000 ekin = 1.28711477346585 | erot = 2.14456329557354 | epot = -21.2240782746279 | etot = -17.7924002055885 +279000 ekin = 1.28936005013421 | erot = 2.38491555516955 | epot = -21.1735485476929 | etot = -17.4992729423892 +280000 ekin = 1.21003074239687 | erot = 2.42890760862485 | epot = -21.1457609661738 | etot = -17.506822615152 +281000 ekin = 1.29885744861012 | erot = 2.42325573855925 | epot = -21.1507776171849 | etot = -17.4286644300155 +282000 ekin = 1.25436778972229 | erot = 2.81925761990967 | epot = -21.1898482264 | etot = -17.1162228167681 +283000 ekin = 1.21194774091207 | erot = 2.81987884081121 | epot = -21.2915251292644 | etot = -17.2596985475411 +284000 ekin = 1.18679083068162 | erot = 2.85260842120881 | epot = -21.4111056079338 | etot = -17.3717063560434 +285000 ekin = 1.15631267773655 | erot = 2.90112491489691 | epot = -21.5215297070963 | etot = -17.4640921144628 +286000 ekin = 1.19279268222577 | erot = 2.85809873900115 | epot = -21.6217291121406 | etot = -17.5708376909137 +287000 ekin = 1.26041360220403 | erot = 2.73020556183284 | epot = -21.6926219129292 | etot = -17.7020027488923 +288000 ekin = 1.28925684516268 | erot = 2.41344019790327 | epot = -21.7395791395394 | etot = -18.0368820964735 +289000 ekin = 1.32958093505198 | erot = 2.27197004074864 | epot = -21.7753244471437 | etot = -18.1737734713431 +290000 ekin = 1.4064267584832 | erot = 1.9557060070415 | epot = -21.8122371335501 | etot = -18.4501043680254 +291000 ekin = 1.43917988615065 | erot = 1.90335102621722 | epot = -21.8672634472313 | etot = -18.5247325348634 +292000 ekin = 1.45457728536597 | erot = 1.91918018244106 | epot = -21.9211778027209 | etot = -18.5474203349139 +293000 ekin = 1.54025708206028 | erot = 1.76739883625601 | epot = -21.9892221465386 | etot = -18.6815662282223 +294000 ekin = 1.63446508682282 | erot = 1.8633883579886 | epot = -22.060866674135 | etot = -18.5630132293236 +295000 ekin = 1.81613674682328 | erot = 1.90284694723315 | epot = -22.1395305108089 | etot = -18.4205468167524 +296000 ekin = 1.90988071284999 | erot = 2.10518814801486 | epot = -22.2099314509302 | etot = -18.1948625900654 +297000 ekin = 1.95608798955025 | erot = 2.5270244388381 | epot = -22.2985651779531 | etot = -17.8154527495648 +298000 ekin = 2.05852737833121 | erot = 2.3890567546875 | epot = -22.3766545803973 | etot = -17.9290704473786 +299000 ekin = 2.18644111379027 | erot = 2.43787113082706 | epot = -22.4274426042906 | etot = -17.8031303596732 +300000 ekin = 2.25246210387413 | erot = 2.26714642530529 | epot = -22.4460120088432 | etot = -17.9264034796638 +301000 ekin = 2.35563337457469 | erot = 1.81807021650501 | epot = -22.457254571189 | etot = -18.2835509801093 +302000 ekin = 2.42168935052551 | erot = 2.12272372548244 | epot = -22.4773288548023 | etot = -17.9329157787943 +303000 ekin = 2.48491149619597 | erot = 1.80440720027877 | epot = -22.4997870994201 | etot = -18.2104684029453 +304000 ekin = 2.57055300825388 | erot = 1.71612576379001 | epot = -22.5136290909673 | etot = -18.2269503189234 +305000 ekin = 2.60127252345939 | erot = 1.60228999221245 | epot = -22.5079813416076 | etot = -18.3044188259357 +306000 ekin = 2.65871790294464 | erot = 1.61152940110762 | epot = -22.4881104545321 | etot = -18.2178631504798 +307000 ekin = 2.67302778478941 | erot = 1.8830323642031 | epot = -22.4558851508275 | etot = -17.899825001835 +308000 ekin = 2.66315429067323 | erot = 2.10086190187504 | epot = -22.4194774636685 | etot = -17.6554612711202 +309000 ekin = 2.6236123571105 | erot = 2.06716291649117 | epot = -22.3854389472788 | etot = -17.6946636736772 +310000 ekin = 2.65346557302719 | erot = 2.43388315560371 | epot = -22.3516578015447 | etot = -17.2643090729138 +311000 ekin = 2.62717610811363 | erot = 2.36697019339695 | epot = -22.3173746471547 | etot = -17.3232283456441 +312000 ekin = 2.76485058199114 | erot = 2.29893166031334 | epot = -22.3073398967793 | etot = -17.2435576544748 +313000 ekin = 2.91401216196316 | erot = 2.42859802814659 | epot = -22.2874024124533 | etot = -16.9447922223436 +314000 ekin = 2.91385799167526 | erot = 1.91396248978007 | epot = -22.2694749773677 | etot = -17.4416544959123 +315000 ekin = 2.93036873457078 | erot = 1.9971654878202 | epot = -22.2742890679514 | etot = -17.3467548455604 +316000 ekin = 3.03268788685593 | erot = 1.92510083916609 | epot = -22.2577485073755 | etot = -17.2999597813535 +317000 ekin = 3.08787594847642 | erot = 1.92578200831372 | epot = -22.2266829567099 | etot = -17.2130249999198 +318000 ekin = 3.13577891188629 | erot = 1.80317853500192 | epot = -22.1919523893648 | etot = -17.2529949424766 +319000 ekin = 3.20520648794486 | erot = 1.70269113516987 | epot = -22.1746193500527 | etot = -17.266721726938 +320000 ekin = 3.29702074479459 | erot = 1.53157782235333 | epot = -22.1625795722849 | etot = -17.3339810051369 +321000 ekin = 3.34504448422807 | erot = 1.62378232552192 | epot = -22.1868841736047 | etot = -17.2180573638547 +322000 ekin = 3.3846016882297 | erot = 1.76562508880768 | epot = -22.2499937572737 | etot = -17.0997669802364 +323000 ekin = 3.30048690012851 | erot = 1.7892216286022 | epot = -22.3245621231126 | etot = -17.2348535943819 +324000 ekin = 3.21996003388849 | erot = 2.07375779111672 | epot = -22.4074947135768 | etot = -17.1137768885716 +325000 ekin = 3.19320065846481 | erot = 2.34417123194123 | epot = -22.4895925051922 | etot = -16.9522206147861 +326000 ekin = 3.13574523293127 | erot = 2.35602865246342 | epot = -22.5449076606478 | etot = -17.0531337752531 +327000 ekin = 3.06250064041735 | erot = 2.56089976464128 | epot = -22.5763641985367 | etot = -16.952963793478 +328000 ekin = 2.98028960475484 | erot = 2.43252122765912 | epot = -22.5713698367084 | etot = -17.1585590042945 +329000 ekin = 3.00073413437882 | erot = 2.54697247273632 | epot = -22.5115486252435 | etot = -16.9638420181284 +330000 ekin = 2.95148018624175 | erot = 2.24389127882674 | epot = -22.4149230401772 | etot = -17.2195515751087 +331000 ekin = 2.81139520815998 | erot = 2.33469163507243 | epot = -22.3023815971863 | etot = -17.1562947539539 +332000 ekin = 2.70201927753227 | erot = 2.23446425932909 | epot = -22.1825698377624 | etot = -17.246086300901 +333000 ekin = 2.67216560815668 | erot = 2.33828838842038 | epot = -22.1081794049507 | etot = -17.0977254083736 +334000 ekin = 2.63564129688349 | erot = 2.38445162200811 | epot = -22.0521006108917 | etot = -17.0320076920001 +335000 ekin = 2.49363748710295 | erot = 2.399272024096 | epot = -21.9997553908813 | etot = -17.1068458796824 +336000 ekin = 2.32703156354334 | erot = 2.49661552302102 | epot = -21.9570264750566 | etot = -17.1333793884923 +337000 ekin = 2.4043791118503 | erot = 2.3478794486252 | epot = -21.9196555873367 | etot = -17.1673970268612 +338000 ekin = 2.41476505798853 | erot = 2.13162500253268 | epot = -21.8968278484038 | etot = -17.3504377878825 +339000 ekin = 2.43793058775615 | erot = 2.41901135922118 | epot = -21.9036252678023 | etot = -17.046683320825 +340000 ekin = 2.49068476405748 | erot = 2.44754202713575 | epot = -21.9103500540913 | etot = -16.9721232628981 +341000 ekin = 2.50472420190452 | erot = 2.6706403885761 | epot = -21.9332795205212 | etot = -16.7579149300406 +342000 ekin = 2.56647086804807 | erot = 2.61525528001598 | epot = -21.9674734299045 | etot = -16.7857472818405 +343000 ekin = 2.51904673868546 | erot = 2.5567658847258 | epot = -21.9948706708333 | etot = -16.919058047422 +344000 ekin = 2.60508290174655 | erot = 2.48137560215981 | epot = -21.9825601130742 | etot = -16.8961016091679 +345000 ekin = 2.63784673980694 | erot = 2.00206586549284 | epot = -21.9580088648428 | etot = -17.318096259543 +346000 ekin = 2.6239789191155 | erot = 2.06342882396958 | epot = -21.9497310194664 | etot = -17.2623232763813 +347000 ekin = 2.65803154655906 | erot = 2.17320914690807 | epot = -21.9288714180667 | etot = -17.0976307245996 +348000 ekin = 2.61080877072533 | erot = 2.24900638089747 | epot = -21.9064648355579 | etot = -17.0466496839351 +349000 ekin = 2.56285615073627 | erot = 2.1937399371138 | epot = -21.9340203469074 | etot = -17.1774242590573 +350000 ekin = 2.52909341929248 | erot = 2.40459665484329 | epot = -21.9698973375557 | etot = -17.0362072634199 +351000 ekin = 2.49713504985968 | erot = 2.44402722640792 | epot = -22.0050349016585 | etot = -17.0638726253909 +352000 ekin = 2.44000815118255 | erot = 2.31901759386448 | epot = -22.0353401663222 | etot = -17.2763144212752 +353000 ekin = 2.43137304156558 | erot = 2.58293559904035 | epot = -22.0473314992666 | etot = -17.0330228586607 +354000 ekin = 2.42872461457106 | erot = 2.20097693718212 | epot = -22.0593257242363 | etot = -17.4296241724831 +355000 ekin = 2.33110822210722 | erot = 2.42063070966282 | epot = -22.0716103668381 | etot = -17.3198714350681 +356000 ekin = 2.3039890517441 | erot = 2.62795866448669 | epot = -22.080434759213 | etot = -17.1484870429822 +357000 ekin = 2.31942397068985 | erot = 2.59655320443803 | epot = -22.0821788434023 | etot = -17.1662016682744 +358000 ekin = 2.31430837414593 | erot = 2.83712652813161 | epot = -22.0725021858678 | etot = -16.9210672835903 +359000 ekin = 2.31455342359143 | erot = 2.75771738371942 | epot = -22.0399086183633 | etot = -16.9676378110525 +360000 ekin = 2.33176210518075 | erot = 2.71178887834453 | epot = -22.0076297483561 | etot = -16.9640787648308 +361000 ekin = 2.27214122387374 | erot = 2.81145339858123 | epot = -21.9599421657392 | etot = -16.8763475432843 +362000 ekin = 2.29940723820844 | erot = 2.47979741361581 | epot = -21.9089639290964 | etot = -17.1297592772721 +363000 ekin = 2.53443578574921 | erot = 2.53169478867003 | epot = -21.8243312678076 | etot = -16.7582006933884 +364000 ekin = 2.6221808903385 | erot = 2.40320793892329 | epot = -21.7324712534028 | etot = -16.707082424141 +365000 ekin = 2.76755808763513 | erot = 1.8947540975541 | epot = -21.6405111096152 | etot = -16.9781989244259 +366000 ekin = 2.83684484493768 | erot = 1.5710285012185 | epot = -21.5686856667024 | etot = -17.1608123205462 +367000 ekin = 2.93599158208369 | erot = 1.35687050095059 | epot = -21.4921061985772 | etot = -17.1992441155429 +368000 ekin = 3.10052552420308 | erot = 1.34392548947254 | epot = -21.4550475057324 | etot = -17.0105964920567 +369000 ekin = 3.32282273578316 | erot = 1.44449669338119 | epot = -21.4696346052349 | etot = -16.7023151760706 +370000 ekin = 3.32440357214618 | erot = 1.32498034754182 | epot = -21.5235244672075 | etot = -16.8741405475195 +371000 ekin = 3.19604825174776 | erot = 1.32912305315216 | epot = -21.6063167417294 | etot = -17.0811454368295 +372000 ekin = 3.24806725016544 | erot = 1.57623327064971 | epot = -21.7023719429116 | etot = -16.8780714220964 +373000 ekin = 3.19541088772603 | erot = 1.59021472687952 | epot = -21.8029802274106 | etot = -17.017354612805 +374000 ekin = 3.26135365290656 | erot = 1.85216595682065 | epot = -21.8950570456544 | etot = -16.7815374359272 +375000 ekin = 3.29383454867952 | erot = 2.06907009365927 | epot = -21.9845454700942 | etot = -16.6216408277554 +376000 ekin = 3.20015592859726 | erot = 2.0735141660112 | epot = -22.0952882395876 | etot = -16.8216181449791 +377000 ekin = 3.09004850922727 | erot = 2.18294615546902 | epot = -22.1887281106778 | etot = -16.9157334459815 +378000 ekin = 3.05043348195272 | erot = 2.5158322509661 | epot = -22.263666143955 | etot = -16.6974004110362 +379000 ekin = 3.1016690882899 | erot = 2.66676931647595 | epot = -22.3392187414395 | etot = -16.5707803366736 +380000 ekin = 3.11503780325994 | erot = 2.60840931269842 | epot = -22.3678930086928 | etot = -16.6444458927345 +381000 ekin = 3.11901255865576 | erot = 2.51316745205276 | epot = -22.3595089455393 | etot = -16.7273289348308 +382000 ekin = 3.08198965968255 | erot = 2.5421648927191 | epot = -22.3171355116317 | etot = -16.6929809592301 +383000 ekin = 3.08529312773613 | erot = 2.60747953716507 | epot = -22.268125758685 | etot = -16.5753530937838 +384000 ekin = 3.06435455473088 | erot = 2.5900830521811 | epot = -22.2008329018472 | etot = -16.5463952949352 +385000 ekin = 2.96902524929805 | erot = 2.39487400705592 | epot = -22.1308203226012 | etot = -16.7669210662472 +386000 ekin = 2.94398257253719 | erot = 2.35624989673771 | epot = -22.097449180614 | etot = -16.7972167113391 +387000 ekin = 2.90022143016868 | erot = 2.26095116124134 | epot = -22.0819030869076 | etot = -16.9207304954976 +388000 ekin = 2.8138912698874 | erot = 2.13357533996898 | epot = -22.1104886391662 | etot = -17.1630220293098 +389000 ekin = 2.86348776127275 | erot = 2.05672668796342 | epot = -22.1951193908387 | etot = -17.2749049416025 +390000 ekin = 2.77165535979993 | erot = 2.15365739500144 | epot = -22.3132389416922 | etot = -17.3879261868909 +391000 ekin = 2.77370479657942 | erot = 2.4364705135603 | epot = -22.4565212308196 | etot = -17.2463459206799 +392000 ekin = 2.76583278927009 | erot = 2.40676865464344 | epot = -22.5818573009823 | etot = -17.4092558570688 +393000 ekin = 2.80900024157666 | erot = 2.37169277236104 | epot = -22.7086594996881 | etot = -17.5279664857504 +394000 ekin = 2.87248081177528 | erot = 2.11617756482181 | epot = -22.817077559155 | etot = -17.8284191825579 +395000 ekin = 2.88095223032725 | erot = 2.05659355426911 | epot = -22.8808764228086 | etot = -17.9433306382122 +396000 ekin = 2.93418192071606 | erot = 2.30478582950603 | epot = -22.909791586559 | etot = -17.6708238363369 +397000 ekin = 2.98163695220519 | erot = 2.0855898498222 | epot = -22.9183417641046 | etot = -17.8511149620772 +398000 ekin = 2.98779262545457 | erot = 2.15192082323126 | epot = -22.9077750506592 | etot = -17.7680616019734 +399000 ekin = 2.9186569326616 | erot = 1.8288713531934 | epot = -22.8818662686362 | etot = -18.1343379827812 +400000 ekin = 2.90983153702367 | erot = 1.84033842076742 | epot = -22.8234620217339 | etot = -18.0732920639428 +401000 ekin = 2.82193337892224 | erot = 1.6578555593453 | epot = -22.7432945990589 | etot = -18.2635056607914 +402000 ekin = 2.71231263059642 | erot = 1.81039261887858 | epot = -22.6593739244624 | etot = -18.1366686749874 +403000 ekin = 2.66036084604537 | erot = 2.02498533176239 | epot = -22.6001656022283 | etot = -17.9148194244206 +404000 ekin = 2.57068790240532 | erot = 1.93095594974712 | epot = -22.5470237392586 | etot = -18.0453798871062 +405000 ekin = 2.56561221793731 | erot = 1.68739793089187 | epot = -22.480605837446 | etot = -18.2275956886168 +406000 ekin = 2.49833625235123 | erot = 1.48188239687454 | epot = -22.4539596863985 | etot = -18.4737410371727 +407000 ekin = 2.49021560270503 | erot = 1.58928602542158 | epot = -22.4700632657781 | etot = -18.3905616376515 +408000 ekin = 2.38021871164252 | erot = 1.73637964468713 | epot = -22.4959988290514 | etot = -18.3794004727217 +409000 ekin = 2.29461436770134 | erot = 1.95814824220593 | epot = -22.5206422995264 | etot = -18.2678796896191 +410000 ekin = 2.25736852989509 | erot = 2.37993089507073 | epot = -22.5486602508665 | etot = -17.9113608259006 +411000 ekin = 2.21596387204284 | erot = 2.74396072623451 | epot = -22.583881506389 | etot = -17.6239569081116 +412000 ekin = 2.20994969108704 | erot = 2.86593591747043 | epot = -22.6211739699294 | etot = -17.5452883613719 +413000 ekin = 2.24794753023264 | erot = 3.00088801127007 | epot = -22.6476708665279 | etot = -17.3988353250252 +414000 ekin = 2.14160819513188 | erot = 3.01120724411838 | epot = -22.6376025284285 | etot = -17.4847870891782 +415000 ekin = 2.14491177835012 | erot = 2.9321520286022 | epot = -22.590258571887 | etot = -17.5131947649346 +416000 ekin = 2.10193769123488 | erot = 2.9810162412694 | epot = -22.5118964710203 | etot = -17.428942538516 +417000 ekin = 2.07066635663257 | erot = 2.60488497680181 | epot = -22.4065047924712 | etot = -17.7309534590368 +418000 ekin = 2.07740574841324 | erot = 2.73315084489172 | epot = -22.2898027885341 | etot = -17.4792461952291 +419000 ekin = 1.98085199943438 | erot = 2.44747426745328 | epot = -22.1631336837142 | etot = -17.7348074168266 +420000 ekin = 1.95880289350343 | erot = 2.55129347690091 | epot = -22.0482798158308 | etot = -17.5381834454264 +421000 ekin = 1.99828966251063 | erot = 2.20799196393452 | epot = -21.939552558565 | etot = -17.7332709321198 +422000 ekin = 1.93529999466693 | erot = 2.35358466371903 | epot = -21.8587107341243 | etot = -17.5698260757383 +423000 ekin = 1.84611594143483 | erot = 2.25228565887447 | epot = -21.8206559909772 | etot = -17.7222543906679 +424000 ekin = 1.92830552207793 | erot = 1.92697824358691 | epot = -21.777972970412 | etot = -17.9226892047471 +425000 ekin = 1.87968918412308 | erot = 2.04838530467779 | epot = -21.7345809752814 | etot = -17.8065064864805 +426000 ekin = 1.8556412970146 | erot = 2.13991381782217 | epot = -21.7013928959338 | etot = -17.705837781097 +427000 ekin = 1.86146118829918 | erot = 2.21385079035769 | epot = -21.6794945474638 | etot = -17.6041825688069 +428000 ekin = 1.93768082509308 | erot = 2.13363270684652 | epot = -21.6773435664085 | etot = -17.6060300344689 +429000 ekin = 1.99945365892738 | erot = 2.19562243163489 | epot = -21.7054036465602 | etot = -17.5103275559979 +430000 ekin = 2.09718842591563 | erot = 2.3463320213618 | epot = -21.7371065581007 | etot = -17.2935861108232 +431000 ekin = 2.17999939901921 | erot = 2.30896770967013 | epot = -21.7414717361359 | etot = -17.2525046274466 +432000 ekin = 2.25849803136377 | erot = 2.37380554728505 | epot = -21.7217776472071 | etot = -17.0894740685582 +433000 ekin = 2.24429029360165 | erot = 2.44429429006342 | epot = -21.7017276929565 | etot = -17.0131431092914 +434000 ekin = 2.35406385747883 | erot = 2.4892079011312 | epot = -21.700781219286 | etot = -16.8575094606759 +435000 ekin = 2.24737880153531 | erot = 2.4659516348531 | epot = -21.7063339873009 | etot = -16.9930035509125 +436000 ekin = 2.23230082302258 | erot = 2.42669718967156 | epot = -21.7123927262194 | etot = -17.0533947135252 +437000 ekin = 2.18383665113533 | erot = 2.24664794927378 | epot = -21.7330413026265 | etot = -17.3025567022174 +438000 ekin = 2.12966913497234 | erot = 2.37196465183249 | epot = -21.7485872315853 | etot = -17.2469534447805 +439000 ekin = 2.09098898533768 | erot = 2.12933040903342 | epot = -21.7361412880266 | etot = -17.5158218936555 +440000 ekin = 2.10148571824467 | erot = 2.27793618592804 | epot = -21.7175254276831 | etot = -17.3381035235104 +441000 ekin = 2.15532867982074 | erot = 2.31865640213706 | epot = -21.6981903134064 | etot = -17.2242052314486 +442000 ekin = 2.09243597225367 | erot = 2.72841000678813 | epot = -21.6523738209046 | etot = -16.8315278418628 +443000 ekin = 2.15730367932181 | erot = 2.62581799220039 | epot = -21.5875809663666 | etot = -16.8044592948444 +444000 ekin = 2.18263017921483 | erot = 2.37014829408738 | epot = -21.504824150884 | etot = -16.9520456775818 +445000 ekin = 2.05145531635821 | erot = 2.17678227962618 | epot = -21.4326062625765 | etot = -17.2043686665921 +446000 ekin = 2.01020948431942 | erot = 2.37374422099264 | epot = -21.3645246084936 | etot = -16.9805709031815 +447000 ekin = 1.89588317933144 | erot = 2.4528908983781 | epot = -21.2952162464884 | etot = -16.9464421687789 +448000 ekin = 1.94918640966662 | erot = 2.39703928139391 | epot = -21.2255467455683 | etot = -16.8793210545077 +449000 ekin = 1.91481408982834 | erot = 2.28318705908368 | epot = -21.1543411876569 | etot = -16.9563400387449 +450000 ekin = 1.87784973555253 | erot = 2.1248579551631 | epot = -21.1046206355142 | etot = -17.1019129447986 +451000 ekin = 1.97352148815437 | erot = 1.86756984773945 | epot = -21.0797511236577 | etot = -17.2386597877639 +452000 ekin = 2.04286189285633 | erot = 1.80786168372332 | epot = -21.0697245816185 | etot = -17.2190010050389 +453000 ekin = 2.1384860647166 | erot = 1.67376501662041 | epot = -21.0904747395762 | etot = -17.2782236582392 +454000 ekin = 2.15164945191103 | erot = 2.04932890222847 | epot = -21.1143650676537 | etot = -16.9133867135142 +455000 ekin = 2.19477985095236 | erot = 2.16695764653243 | epot = -21.1370563835237 | etot = -16.7753188860389 +456000 ekin = 2.19740261168692 | erot = 2.10215601431886 | epot = -21.1403905144291 | etot = -16.8408318884233 +457000 ekin = 2.20601557977637 | erot = 2.13174146926998 | epot = -21.1647757949628 | etot = -16.8270187459165 +458000 ekin = 2.22693497466223 | erot = 2.00297660996761 | epot = -21.2133843445383 | etot = -16.9834727599084 +459000 ekin = 2.40306935261522 | erot = 2.07528469876346 | epot = -21.2759346114691 | etot = -16.7975805600904 +460000 ekin = 2.40922164106694 | erot = 2.23665563054137 | epot = -21.352281719657 | etot = -16.7064044480486 +461000 ekin = 2.42000759716796 | erot = 2.33121048923215 | epot = -21.4035924354774 | etot = -16.6523743490773 +462000 ekin = 2.40697031331563 | erot = 2.14275899197066 | epot = -21.4310008578854 | etot = -16.8812715525991 +463000 ekin = 2.27880926024471 | erot = 1.9450755692431 | epot = -21.4477328212938 | etot = -17.223847991806 +464000 ekin = 2.26372093546448 | erot = 1.71662964564964 | epot = -21.4283876808071 | etot = -17.448037099693 +465000 ekin = 2.24118575319934 | erot = 1.89668392003691 | epot = -21.4003434057031 | etot = -17.2624737324669 +466000 ekin = 2.31013461832327 | erot = 2.00757055155837 | epot = -21.3608207821978 | etot = -17.0431156123162 +467000 ekin = 2.4339696791395 | erot = 2.21874571911994 | epot = -21.3053258443236 | etot = -16.6526104460642 +468000 ekin = 2.41021440017844 | erot = 1.97479498639513 | epot = -21.233460271117 | etot = -16.8484508845435 +469000 ekin = 2.31578531471236 | erot = 1.99784256139238 | epot = -21.1821517028579 | etot = -16.8685238267532 +470000 ekin = 2.20506875315387 | erot = 1.87887773816032 | epot = -21.1430826832857 | etot = -17.0591361919715 +471000 ekin = 2.13628837828128 | erot = 1.99677754816705 | epot = -21.1290504063502 | etot = -16.9959844799019 +472000 ekin = 2.10129418295658 | erot = 2.2405661236519 | epot = -21.1431228234939 | etot = -16.8012625168854 +473000 ekin = 2.15627273414978 | erot = 2.19993171978119 | epot = -21.1733300414642 | etot = -16.8171255875332 +474000 ekin = 2.14076076010815 | erot = 2.25446359877068 | epot = -21.221006263287 | etot = -16.8257819044082 +475000 ekin = 2.13812755485179 | erot = 2.40498819643 | epot = -21.2865391851112 | etot = -16.7434234338294 +476000 ekin = 2.06858808991819 | erot = 2.38860590776937 | epot = -21.3434845601286 | etot = -16.8862905624411 +477000 ekin = 2.07006440492054 | erot = 2.75406570213518 | epot = -21.3922756308481 | etot = -16.5681455237924 +478000 ekin = 2.18444735013641 | erot = 2.70772307923246 | epot = -21.4343815992348 | etot = -16.5422111698659 +479000 ekin = 2.19942421685254 | erot = 3.01662715265702 | epot = -21.4597482066207 | etot = -16.2436968371111 +480000 ekin = 2.0967634494608 | erot = 2.92438195103725 | epot = -21.4845635218897 | etot = -16.4634181213917 +481000 ekin = 2.05435750946167 | erot = 2.89946489225791 | epot = -21.5058659565645 | etot = -16.5520435548449 +482000 ekin = 1.93906176361666 | erot = 2.94002477322929 | epot = -21.5133252549456 | etot = -16.6342387180996 +483000 ekin = 1.92495432631112 | erot = 3.07385412342424 | epot = -21.5077333577219 | etot = -16.5089249079865 +484000 ekin = 1.92789828975046 | erot = 3.32856329414662 | epot = -21.5066449871573 | etot = -16.2501834032602 +485000 ekin = 1.91268771816293 | erot = 3.09586191791501 | epot = -21.4833052647976 | etot = -16.4747556287196 +486000 ekin = 1.78380043967851 | erot = 3.03494358258128 | epot = -21.4585833289245 | etot = -16.6398393066647 +487000 ekin = 1.66173050700684 | erot = 2.86000419946662 | epot = -21.4169307099541 | etot = -16.8951960034807 +488000 ekin = 1.6861803912259 | erot = 2.81632446798658 | epot = -21.3632748840396 | etot = -16.8607700248271 +489000 ekin = 1.70799546417837 | erot = 2.42402499535219 | epot = -21.2867408576365 | etot = -17.1547203981059 +490000 ekin = 1.76758231238948 | erot = 2.12271247808917 | epot = -21.2077046249558 | etot = -17.3174098344771 +491000 ekin = 1.76306663296675 | erot = 2.86063070746491 | epot = -21.1723403735264 | etot = -16.5486430330947 +492000 ekin = 1.76846685645936 | erot = 2.89751715915282 | epot = -21.1637728122907 | etot = -16.4977887966785 +493000 ekin = 1.78426656200509 | erot = 3.00701255652278 | epot = -21.177366494112 | etot = -16.3860873755841 +494000 ekin = 1.86551817373627 | erot = 2.87131917289129 | epot = -21.202525065023 | etot = -16.4656877183955 +495000 ekin = 1.90523259261305 | erot = 3.14209453322629 | epot = -21.199815438883 | etot = -16.1524883130437 +496000 ekin = 1.98335126636148 | erot = 2.98540814212653 | epot = -21.1906478493248 | etot = -16.2218884408368 +497000 ekin = 2.06634825728685 | erot = 2.95896590871823 | epot = -21.1621551542808 | etot = -16.1368409882758 +498000 ekin = 2.1527240028484 | erot = 3.02117382743694 | epot = -21.1193839391164 | etot = -15.9454861088311 +499000 ekin = 2.17953814058362 | erot = 2.7956528806284 | epot = -21.1071993938559 | etot = -16.1320083726439 +500000 ekin = 2.18279625505131 | erot = 2.73392245688628 | epot = -21.1153073171068 | etot = -16.1985886051692 +501000 ekin = 2.14934456304168 | erot = 3.04941214942239 | epot = -21.1511220012823 | etot = -15.9523652888182 +502000 ekin = 2.24815210672164 | erot = 3.29370999045842 | epot = -21.191424172631 | etot = -15.649562075451 +503000 ekin = 2.24373540198307 | erot = 3.32111123848707 | epot = -21.2742763532379 | etot = -15.7094297127677 +504000 ekin = 2.2380398968446 | erot = 3.0991412841911 | epot = -21.3733619536839 | etot = -16.0361807726482 +505000 ekin = 2.30102605486345 | erot = 3.19612982312041 | epot = -21.4437932084701 | etot = -15.9466373304862 +506000 ekin = 2.36370831780387 | erot = 3.19995831891699 | epot = -21.4937378126654 | etot = -15.9300711759445 +507000 ekin = 2.42840177155352 | erot = 2.81713782658399 | epot = -21.5299907326272 | etot = -16.2844511344897 +508000 ekin = 2.3496800529995 | erot = 2.32969767190605 | epot = -21.5629586677094 | etot = -16.8835809428039 +509000 ekin = 2.31587277784011 | erot = 2.32044150422015 | epot = -21.5800976653978 | etot = -16.9437833833375 +510000 ekin = 2.39415651583834 | erot = 2.32489194511628 | epot = -21.5909228684583 | etot = -16.8718744075037 +511000 ekin = 2.37917219486121 | erot = 2.25376804515916 | epot = -21.6001349490033 | etot = -16.967194708983 +512000 ekin = 2.37938693355446 | erot = 1.92023885988138 | epot = -21.6111071917155 | etot = -17.3114813982796 +513000 ekin = 2.4068585795957 | erot = 2.08600293524445 | epot = -21.6155439119537 | etot = -17.1226823971136 +514000 ekin = 2.46724209327195 | erot = 2.20949952828796 | epot = -21.6418209909607 | etot = -16.9650793694008 +515000 ekin = 2.44642692672663 | erot = 2.02689318439863 | epot = -21.6526616938248 | etot = -17.1793415826996 +516000 ekin = 2.34670203308752 | erot = 2.15396125943245 | epot = -21.6543094777108 | etot = -17.1536461851908 +517000 ekin = 2.33878155191648 | erot = 2.33294662418984 | epot = -21.6421766473136 | etot = -16.9704484712073 +518000 ekin = 2.31107655587532 | erot = 2.15491971030968 | epot = -21.6319254773268 | etot = -17.1659292111418 +519000 ekin = 2.29496119138257 | erot = 2.00492803313419 | epot = -21.6347632719486 | etot = -17.3348740474319 +520000 ekin = 2.15339792107183 | erot = 2.04457004756215 | epot = -21.6507830510492 | etot = -17.4528150824152 +521000 ekin = 2.20801983612424 | erot = 2.16352250997097 | epot = -21.6715366002404 | etot = -17.2999942541452 +522000 ekin = 2.28349511901188 | erot = 2.12203826388418 | epot = -21.7067045500198 | etot = -17.3011711671237 +523000 ekin = 2.28326140498731 | erot = 2.24730546524176 | epot = -21.7500540285239 | etot = -17.2194871582948 +524000 ekin = 2.41430391300397 | erot = 2.30243275419766 | epot = -21.7887659971603 | etot = -17.0720293299587 +525000 ekin = 2.46563871852188 | erot = 2.61576568534199 | epot = -21.8311918688001 | etot = -16.7497874649362 +526000 ekin = 2.44766866227825 | erot = 2.73251608599186 | epot = -21.8542594932618 | etot = -16.6740747449916 +527000 ekin = 2.49415128662349 | erot = 2.97647354160827 | epot = -21.8654961412296 | etot = -16.3948713129978 +528000 ekin = 2.63765981818831 | erot = 2.90145202540003 | epot = -21.8539949982376 | etot = -16.3148831546493 +529000 ekin = 2.61312965886424 | erot = 2.63810638896208 | epot = -21.812302902124 | etot = -16.5610668542976 +530000 ekin = 2.61679294703744 | erot = 2.67053467520177 | epot = -21.7690607572615 | etot = -16.4817331350223 +531000 ekin = 2.48476384385704 | erot = 2.71653952081309 | epot = -21.7165365440457 | etot = -16.5152331793756 +532000 ekin = 2.48793546388986 | erot = 2.65738787716549 | epot = -21.6564484956905 | etot = -16.5111251546351 +533000 ekin = 2.41456215119459 | erot = 2.64489299438354 | epot = -21.639072482786 | etot = -16.5796173372078 +534000 ekin = 2.29777827242778 | erot = 2.74873035111879 | epot = -21.6608745386251 | etot = -16.6143659150785 +535000 ekin = 2.26088917727546 | erot = 2.83473610922371 | epot = -21.6981866268834 | etot = -16.6025613403843 +536000 ekin = 2.20131769719344 | erot = 2.88353145322202 | epot = -21.755248482858 | etot = -16.6703993324425 +537000 ekin = 2.13082565508333 | erot = 2.91286112998273 | epot = -21.7996526043394 | etot = -16.7559658192733 +538000 ekin = 2.05764519091759 | erot = 2.95211539945559 | epot = -21.8281285512857 | etot = -16.8183679609125 +539000 ekin = 1.97437084021552 | erot = 2.9097074061232 | epot = -21.8443187140803 | etot = -16.9602404677416 +540000 ekin = 1.95684111980203 | erot = 2.5383191039217 | epot = -21.8503067819182 | etot = -17.3551465581945 +541000 ekin = 2.01269488661909 | erot = 2.53569793957034 | epot = -21.8275993102503 | etot = -17.2792064840608 +542000 ekin = 2.03504454490702 | erot = 2.82348341864015 | epot = -21.8036330964533 | etot = -16.9451051329062 +543000 ekin = 2.03020807235322 | erot = 3.03370589872126 | epot = -21.8016375466952 | etot = -16.7377235756207 +544000 ekin = 2.05269052857014 | erot = 2.58799516983488 | epot = -21.8033388274283 | etot = -17.1626531290233 +545000 ekin = 2.15141870706984 | erot = 2.40428159733159 | epot = -21.8230803043774 | etot = -17.267379999976 +546000 ekin = 2.2730009121937 | erot = 2.20572730047347 | epot = -21.8690779560947 | etot = -17.3903497434275 +547000 ekin = 2.35364033678083 | erot = 2.18498069722327 | epot = -21.9465784737244 | etot = -17.4079574397203 +548000 ekin = 2.43307589906691 | erot = 2.42293816342305 | epot = -22.0303494741984 | etot = -17.1743354117084 +549000 ekin = 2.54088590896235 | erot = 2.9095237719503 | epot = -22.1200487075607 | etot = -16.6696390266481 +550000 ekin = 2.56016664627933 | erot = 2.68398103895175 | epot = -22.1766985156474 | etot = -16.9325508304163 +551000 ekin = 2.72417690556182 | erot = 2.72891308441098 | epot = -22.2176306990374 | etot = -16.7645407090646 +552000 ekin = 2.72596785657269 | erot = 2.42255580538622 | epot = -22.2421241890566 | etot = -17.0936005270977 +553000 ekin = 2.78508615614578 | erot = 2.39994410027753 | epot = -22.2425789733829 | etot = -17.0575487169596 +554000 ekin = 2.81568582164755 | erot = 2.30970996795577 | epot = -22.212027345066 | etot = -17.0866315554627 +555000 ekin = 2.79395520813526 | erot = 2.24542312270129 | epot = -22.1601855930767 | etot = -17.1208072622401 +556000 ekin = 2.81007006192488 | erot = 2.29040711319253 | epot = -22.0853198857605 | etot = -16.9848427106431 +557000 ekin = 2.86720343014862 | erot = 2.06281031141602 | epot = -21.9979009255864 | etot = -17.0678871840218 +558000 ekin = 2.75377155929318 | erot = 2.13725587394243 | epot = -21.8668776496783 | etot = -16.9758502164427 +559000 ekin = 2.72157639522917 | erot = 2.20102610126835 | epot = -21.7194344747873 | etot = -16.7968319782898 +560000 ekin = 2.70961845092833 | erot = 2.59816182534515 | epot = -21.5357151296295 | etot = -16.227934853356 +561000 ekin = 2.57949305004174 | erot = 2.96337390027736 | epot = -21.3145814838314 | etot = -15.7717145335123 +562000 ekin = 2.32107059805592 | erot = 2.51143214075166 | epot = -21.0085235339443 | etot = -16.1760207951367 +563000 ekin = 2.24732443728587 | erot = 2.3879005093821 | epot = -20.8154509884486 | etot = -16.1802260417806 +564000 ekin = 2.33791301852595 | erot = 2.68335523927297 | epot = -20.8066084764155 | etot = -15.7853402186166 +565000 ekin = 2.32510209076373 | erot = 2.8508896099138 | epot = -20.6671406909933 | etot = -15.4911489903158 +566000 ekin = 2.20543771892934 | erot = 2.35706719035764 | epot = -20.5538554522387 | etot = -15.9913505429518 +567000 ekin = 2.11804196373779 | erot = 2.40185685943714 | epot = -20.4713035116105 | etot = -15.9514046884356 +568000 ekin = 2.22268682011225 | erot = 2.33307148175166 | epot = -20.3820924859934 | etot = -15.8263341841295 +569000 ekin = 2.09547585997744 | erot = 2.62261207858624 | epot = -20.2691455782377 | etot = -15.551057639674 +570000 ekin = 2.01580186947893 | erot = 2.33698172151258 | epot = -20.1658958603531 | etot = -15.8131122693616 +571000 ekin = 2.08039178219766 | erot = 2.36534037676708 | epot = -20.0857600662143 | etot = -15.6400279072495 +572000 ekin = 2.11927324959301 | erot = 2.30282149950167 | epot = -20.0451987594363 | etot = -15.6231040103417 +573000 ekin = 2.04663917529184 | erot = 2.3397266793933 | epot = -20.0317480451745 | etot = -15.6453821904893 +574000 ekin = 2.09962922460146 | erot = 2.19990447249075 | epot = -20.0660831814167 | etot = -15.7665494843245 +575000 ekin = 2.2724213043473 | erot = 2.2560950849323 | epot = -20.1489560418924 | etot = -15.6204396526128 +576000 ekin = 2.39016715864533 | erot = 2.22255127128227 | epot = -20.2603613797455 | etot = -15.6476429498179 +577000 ekin = 2.3641256374076 | erot = 2.30198986937696 | epot = -20.3752615554293 | etot = -15.7091460486447 +578000 ekin = 2.49125580710772 | erot = 2.4266078622766 | epot = -20.502520702598 | etot = -15.5846570332137 +579000 ekin = 2.56165048094701 | erot = 2.83228223321267 | epot = -20.636891122234 | etot = -15.2429584080743 +580000 ekin = 2.5985707631887 | erot = 2.86537715884212 | epot = -20.7281657529396 | etot = -15.2642178309088 +581000 ekin = 2.75751410053994 | erot = 3.201023040261 | epot = -20.7812637399727 | etot = -14.8227265991717 +582000 ekin = 2.72186433456447 | erot = 2.73127793091817 | epot = -20.8119294300411 | etot = -15.3587871645585 +583000 ekin = 2.62273499225684 | erot = 2.46109328120281 | epot = -20.82747146712 | etot = -15.7436431936604 +584000 ekin = 2.65791178050006 | erot = 2.52854330537007 | epot = -20.8318022222691 | etot = -15.645347136399 +585000 ekin = 2.61150125120866 | erot = 2.75251814406213 | epot = -20.8423541781131 | etot = -15.4783347828423 +586000 ekin = 2.56490529514568 | erot = 2.76819989101126 | epot = -20.8235905183123 | etot = -15.4904853321554 +587000 ekin = 2.44377479420657 | erot = 2.55313165140451 | epot = -20.787396769062 | etot = -15.7904903234509 +588000 ekin = 2.54600679288766 | erot = 2.00966564099397 | epot = -20.7414898497507 | etot = -16.185817415869 +589000 ekin = 2.42615788479235 | erot = 1.87395944544066 | epot = -20.7098613915245 | etot = -16.4097440612915 +590000 ekin = 2.42016761405663 | erot = 1.71977054763906 | epot = -20.682469148408 | etot = -16.5425309867123 +591000 ekin = 2.38760737800274 | erot = 1.84146371886645 | epot = -20.6722800899364 | etot = -16.4432089930672 +592000 ekin = 2.31657054464672 | erot = 1.96505693643487 | epot = -20.7031666775492 | etot = -16.4215391964676 +593000 ekin = 2.23530102205172 | erot = 1.81162578854723 | epot = -20.7586825210074 | etot = -16.7117557104085 +594000 ekin = 2.21499618339367 | erot = 1.98026347110265 | epot = -20.8347835084303 | etot = -16.6395238539339 +595000 ekin = 2.1735109206856 | erot = 2.27153694538259 | epot = -20.9049251653826 | etot = -16.4598772993144 +596000 ekin = 2.13536721422193 | erot = 2.30838064667278 | epot = -20.9560792436845 | etot = -16.5123313827898 +597000 ekin = 2.05769259414588 | erot = 2.38187665146498 | epot = -20.9894852475388 | etot = -16.5499160019279 +598000 ekin = 2.05674814899196 | erot = 2.42014079217233 | epot = -21.0044596830553 | etot = -16.527570741891 +599000 ekin = 1.95864026709732 | erot = 2.39995075981931 | epot = -20.9740626757897 | etot = -16.6154716488731 +600000 ekin = 1.92217253864592 | erot = 2.27990516657273 | epot = -20.9285242414045 | etot = -16.7264465361859 +601000 ekin = 1.98018146832032 | erot = 2.20890815410652 | epot = -20.8846332261986 | etot = -16.6955436037718 +602000 ekin = 1.9018407158324 | erot = 2.15913830500077 | epot = -20.8542535717533 | etot = -16.7932745509201 +603000 ekin = 1.874147854724 | erot = 2.20472694083471 | epot = -20.8408046427066 | etot = -16.7619298471479 +604000 ekin = 1.8956696755394 | erot = 2.33936411504487 | epot = -20.8324704464838 | etot = -16.5974366558996 +605000 ekin = 1.90221219714077 | erot = 2.24714804248294 | epot = -20.8240875666932 | etot = -16.6747273270695 +606000 ekin = 1.98126421387451 | erot = 2.18362681345851 | epot = -20.831816133263 | etot = -16.6669251059299 +607000 ekin = 1.96256992421002 | erot = 2.31466128891675 | epot = -20.842219228341 | etot = -16.5649880152142 +608000 ekin = 2.00857732853911 | erot = 2.35246654785901 | epot = -20.8480147460981 | etot = -16.4869708696999 +609000 ekin = 1.95325682031733 | erot = 2.81335207348493 | epot = -20.8594200048109 | etot = -16.0928111110087 +610000 ekin = 1.98193326810055 | erot = 2.88259052339692 | epot = -20.8472840007382 | etot = -15.9827602092408 +611000 ekin = 2.04137421596164 | erot = 2.49925666829906 | epot = -20.8306415233202 | etot = -16.2900106390595 +612000 ekin = 2.16269789015095 | erot = 2.70058773214408 | epot = -20.7942268006608 | etot = -15.9309411783658 +613000 ekin = 2.06529168540845 | erot = 2.42568351626004 | epot = -20.7614875640894 | etot = -16.2705123624209 +614000 ekin = 2.13372547058354 | erot = 2.26794536225561 | epot = -20.7223835113478 | etot = -16.3207126785086 +615000 ekin = 2.15900283469833 | erot = 2.41796083425713 | epot = -20.6594009316023 | etot = -16.0824372626469 +616000 ekin = 2.18075700318115 | erot = 2.25199751704729 | epot = -20.6022951429054 | etot = -16.169540622677 +617000 ekin = 2.15965098363287 | erot = 2.22906613418701 | epot = -20.5852528289988 | etot = -16.1965357111789 +618000 ekin = 2.23225625672999 | erot = 2.44686544718971 | epot = -20.610224970018 | etot = -15.9311032660983 +619000 ekin = 2.2697545490367 | erot = 2.3428925387803 | epot = -20.6719638155438 | etot = -16.0593167277268 +620000 ekin = 2.30973430443507 | erot = 2.69227064537985 | epot = -20.7701978809869 | etot = -15.768192931172 +621000 ekin = 2.47203322805299 | erot = 3.06119226990014 | epot = -20.9146158917174 | etot = -15.3813903937642 +622000 ekin = 2.6234827456027 | erot = 3.16275527232546 | epot = -21.0868239893472 | etot = -15.3005859714191 +623000 ekin = 2.67387060573034 | erot = 3.22531872328047 | epot = -21.2795790465567 | etot = -15.3803897175459 +624000 ekin = 2.77334044145805 | erot = 3.19930974567982 | epot = -21.4804753178395 | etot = -15.5078251307016 +625000 ekin = 2.82230466072525 | erot = 2.9747199185102 | epot = -21.6768467596146 | etot = -15.8798221803791 +626000 ekin = 2.97306496702218 | erot = 3.02810006646603 | epot = -21.8368791799807 | etot = -15.8357141464924 +627000 ekin = 2.9396359895921 | erot = 3.11546514885661 | epot = -21.9295648605412 | etot = -15.8744637220925 +628000 ekin = 2.94675401744143 | erot = 2.87563053224012 | epot = -21.9734618105417 | etot = -16.1510772608602 +629000 ekin = 2.93549647211201 | erot = 2.94179551334381 | epot = -21.9629357939838 | etot = -16.085643808528 +630000 ekin = 2.968513495898 | erot = 2.66241758633549 | epot = -21.936706782 | etot = -16.3057756997665 +631000 ekin = 2.97170810029475 | erot = 2.9278488835795 | epot = -21.9408587478556 | etot = -16.0413017639814 +632000 ekin = 3.00915408594527 | erot = 3.03331194667432 | epot = -21.9662975867255 | etot = -15.923831554106 +633000 ekin = 3.15130786380797 | erot = 2.90447111403471 | epot = -21.9802035040982 | etot = -15.9244245262556 +634000 ekin = 3.0872430722561 | erot = 3.06470523223815 | epot = -21.9813618086071 | etot = -15.8294135041129 +635000 ekin = 3.09485256628968 | erot = 3.05293629484995 | epot = -21.9761085643253 | etot = -15.8283197031856 +636000 ekin = 3.18833676246128 | erot = 3.09853352594568 | epot = -21.9262309231053 | etot = -15.6393606346983 +637000 ekin = 3.17249776983439 | erot = 2.76836567164458 | epot = -21.846318761896 | etot = -15.905455320417 +638000 ekin = 3.15773051904035 | erot = 2.74718314777864 | epot = -21.752103466865 | etot = -15.847189800046 +639000 ekin = 3.08619022126289 | erot = 2.75291211878194 | epot = -21.6198807004768 | etot = -15.780778360432 +640000 ekin = 3.13541342359622 | erot = 2.75186869517613 | epot = -21.4236473324242 | etot = -15.5363652136518 +641000 ekin = 2.97070406886304 | erot = 2.53928201823129 | epot = -21.2113872532507 | etot = -15.7014011661563 +642000 ekin = 2.96213641788666 | erot = 2.46548060107455 | epot = -20.9928030195292 | etot = -15.565186000568 +643000 ekin = 2.84219149582808 | erot = 2.30604210385216 | epot = -20.7796379309879 | etot = -15.6314043313077 +644000 ekin = 2.73987448812119 | erot = 1.92488908230349 | epot = -20.5971129650468 | etot = -15.9323493946221 +645000 ekin = 2.66964682664619 | erot = 2.17741731737593 | epot = -20.4501395419023 | etot = -15.6030753978801 +646000 ekin = 2.55685727423959 | erot = 1.94955682330733 | epot = -20.3484174743042 | etot = -15.8420033767573 +647000 ekin = 2.36548817737629 | erot = 2.05467058240502 | epot = -20.2308525146957 | etot = -15.8106937549144 +648000 ekin = 2.31008857244622 | erot = 1.85050053837879 | epot = -20.1170577319191 | etot = -15.9564686210941 +649000 ekin = 2.2820502586928 | erot = 1.71263708698589 | epot = -20.0254728385503 | etot = -16.0307854928716 +650000 ekin = 2.21196677463666 | erot = 1.82025099236574 | epot = -19.9537436999668 | etot = -15.9215259329644 +651000 ekin = 2.17096351970662 | erot = 1.64111059964138 | epot = -19.893946125439 | etot = -16.081872006091 +652000 ekin = 2.24485056260445 | erot = 1.5901592073441 | epot = -19.8559152094387 | etot = -16.0209054394902 +653000 ekin = 2.24348598334208 | erot = 1.56547926791896 | epot = -19.8354995105722 | etot = -16.0265342593112 +654000 ekin = 2.3436705432219 | erot = 1.59100225910908 | epot = -19.8036561058559 | etot = -15.8689833035249 +655000 ekin = 2.33139381348469 | erot = 1.73360745289315 | epot = -19.7790891006602 | etot = -15.7140878342824 +656000 ekin = 2.39082402474884 | erot = 1.66512195058759 | epot = -19.7882728464571 | etot = -15.7323268711207 +657000 ekin = 2.36326494202717 | erot = 1.64634599165851 | epot = -19.8156605115388 | etot = -15.8060495778531 +658000 ekin = 2.37356060304704 | erot = 1.59216090461371 | epot = -19.8647456377851 | etot = -15.8990241301243 +659000 ekin = 2.48069174292956 | erot = 1.49175770497883 | epot = -19.9602607152513 | etot = -15.987811267343 +660000 ekin = 2.43784148373588 | erot = 1.6930424525872 | epot = -20.0982797920099 | etot = -15.9673958556869 +661000 ekin = 2.50127283299443 | erot = 1.90162951574018 | epot = -20.2564772898341 | etot = -15.8535749410995 +662000 ekin = 2.65651409235479 | erot = 1.97694168302421 | epot = -20.4351000172129 | etot = -15.8016442418339 +663000 ekin = 2.59069846598396 | erot = 2.27024751168569 | epot = -20.5951722286015 | etot = -15.7342262509318 +664000 ekin = 2.65199362526649 | erot = 2.41512175478246 | epot = -20.7236956549424 | etot = -15.6565802748934 +665000 ekin = 2.74059693842704 | erot = 2.18558347698565 | epot = -20.836270984044 | etot = -15.9100905686313 +666000 ekin = 2.81567682366713 | erot = 2.34749860597669 | epot = -20.9472815722853 | etot = -15.7841061426415 +667000 ekin = 2.85397277942012 | erot = 2.78444099743799 | epot = -21.051254788865 | etot = -15.4128410120069 +668000 ekin = 2.90295609594963 | erot = 2.67434743985645 | epot = -21.1196454976539 | etot = -15.5423419618478 +669000 ekin = 2.82586988686643 | erot = 2.59996675336095 | epot = -21.1269738870865 | etot = -15.7011372468591 +670000 ekin = 2.79168631386091 | erot = 2.56332899434142 | epot = -21.1062374856384 | etot = -15.7512221774361 +671000 ekin = 2.78377934011114 | erot = 2.65037677108216 | epot = -21.0707534252226 | etot = -15.6365973140293 +672000 ekin = 2.803703333643 | erot = 2.43772748784302 | epot = -21.0308122724576 | etot = -15.7893814509716 +673000 ekin = 2.7691539986881 | erot = 2.51561518037599 | epot = -20.9769263473738 | etot = -15.6921571683097 +674000 ekin = 2.64183624634907 | erot = 2.5509723350789 | epot = -20.9182849770312 | etot = -15.7254763956032 +675000 ekin = 2.62521142757554 | erot = 2.64780321266124 | epot = -20.8750415391238 | etot = -15.602026898887 +676000 ekin = 2.56750452241313 | erot = 2.50976436481691 | epot = -20.8718880077788 | etot = -15.7946191205487 +677000 ekin = 2.54381281980499 | erot = 2.88598144344474 | epot = -20.8743650878296 | etot = -15.4445708245799 +678000 ekin = 2.41460230362231 | erot = 2.74956960106208 | epot = -20.8645099379738 | etot = -15.7003380332894 +679000 ekin = 2.45714396740981 | erot = 2.51630907313239 | epot = -20.8333930763107 | etot = -15.8599400357685 +680000 ekin = 2.39813210053792 | erot = 2.44684074440015 | epot = -20.7887522768163 | etot = -15.9437794318782 +681000 ekin = 2.43918264143157 | erot = 2.34640131965743 | epot = -20.7476808113825 | etot = -15.9620968502935 +682000 ekin = 2.35991514290774 | erot = 2.52582496731663 | epot = -20.6783381667257 | etot = -15.7925980565014 +683000 ekin = 2.52475831935489 | erot = 2.43032542841516 | epot = -20.5982055545538 | etot = -15.6431218067838 +684000 ekin = 2.58660934635455 | erot = 2.11878822836128 | epot = -20.4924135763664 | etot = -15.7870160016506 +685000 ekin = 2.55154119483619 | erot = 1.73486584185217 | epot = -20.382217510981 | etot = -16.0958104742926 +686000 ekin = 2.63111018797726 | erot = 1.47730091117236 | epot = -20.3126109077782 | etot = -16.2041998086286 +687000 ekin = 2.6396968201908 | erot = 1.4733230185728 | epot = -20.2996486685943 | etot = -16.1866288298307 +688000 ekin = 2.7234920794771 | erot = 1.29409931094963 | epot = -20.3234627588047 | etot = -16.305871368378 +689000 ekin = 2.73079979716428 | erot = 1.56006726489594 | epot = -20.4074074566833 | etot = -16.1165403946231 +690000 ekin = 2.8886213899704 | erot = 1.53763438603365 | epot = -20.5271307060396 | etot = -16.1008749300355 +691000 ekin = 2.93184490556377 | erot = 1.68041505604324 | epot = -20.6817002649671 | etot = -16.0694403033601 +692000 ekin = 3.039651675882 | erot = 1.53360102419162 | epot = -20.8394269437995 | etot = -16.2661742437259 +693000 ekin = 3.11332037021243 | erot = 1.78276814996248 | epot = -20.9856322860979 | etot = -16.089543765923 +694000 ekin = 3.26591256423344 | erot = 1.83297982799396 | epot = -21.1162583961221 | etot = -16.0173660038947 +695000 ekin = 3.39944935277107 | erot = 1.85369820811796 | epot = -21.210977736514 | etot = -15.957830175625 +696000 ekin = 3.30343203418313 | erot = 1.83180202140663 | epot = -21.2772827777974 | etot = -16.1420487222076 +697000 ekin = 3.22977317647567 | erot = 1.99511551134629 | epot = -21.3085920420921 | etot = -16.0837033542702 +698000 ekin = 3.36545228088424 | erot = 1.93865151714 | epot = -21.292469671287 | etot = -15.9883658732627 +699000 ekin = 3.26727101649057 | erot = 2.00750907689842 | epot = -21.2347192164131 | etot = -15.9599391230241 +700000 ekin = 3.23373130843466 | erot = 1.9581479646034 | epot = -21.1439766208008 | etot = -15.9520973477627 +701000 ekin = 3.07791756459623 | erot = 1.84629538321642 | epot = -21.0368350139915 | etot = -16.1126220661789 +702000 ekin = 2.95524336171478 | erot = 2.05334887389019 | epot = -20.9320932298122 | etot = -15.9235009942072 +703000 ekin = 2.81685700197359 | erot = 2.30798807393509 | epot = -20.8529482411059 | etot = -15.7281031651972 +704000 ekin = 2.78603745694898 | erot = 2.41032504549238 | epot = -20.7817305926661 | etot = -15.5853680902247 +705000 ekin = 2.82734195960174 | erot = 2.58886515581029 | epot = -20.705486127934 | etot = -15.289279012522 +706000 ekin = 2.69252213631 | erot = 2.87186287347272 | epot = -20.6341395720105 | etot = -15.0697545622277 +707000 ekin = 2.67677781124248 | erot = 2.61015441384283 | epot = -20.5829958432681 | etot = -15.2960636181828 +708000 ekin = 2.61607470121115 | erot = 2.52638154954373 | epot = -20.5707989768076 | etot = -15.4283427260527 +709000 ekin = 2.66476396394733 | erot = 2.77686126060184 | epot = -20.5966805252114 | etot = -15.1550553006623 +710000 ekin = 2.7247375394434 | erot = 3.01436891653811 | epot = -20.6381576133419 | etot = -14.8990511573603 +711000 ekin = 2.73828751365585 | erot = 2.9608710490951 | epot = -20.6834857916291 | etot = -14.9843272288781 +712000 ekin = 2.62321032142597 | erot = 3.36842837276275 | epot = -20.7033938368061 | etot = -14.7117551426174 +713000 ekin = 2.57840853452372 | erot = 3.23870482700691 | epot = -20.7157410164413 | etot = -14.8986276549107 +714000 ekin = 2.57830571481541 | erot = 3.18574747943729 | epot = -20.7368579407289 | etot = -14.9728047464762 +715000 ekin = 2.55353778251667 | erot = 3.06029471484808 | epot = -20.7547414920981 | etot = -15.1409089947334 +716000 ekin = 2.55549921705027 | erot = 2.85756803731154 | epot = -20.7715752448116 | etot = -15.3585079904498 +717000 ekin = 2.66840960058869 | erot = 3.13695167508786 | epot = -20.7817582371968 | etot = -14.9763969615202 +718000 ekin = 2.70162233045717 | erot = 2.88936608298079 | epot = -20.7821953404605 | etot = -15.1912069270225 +719000 ekin = 2.67856075035688 | erot = 3.06593156988589 | epot = -20.7772381096809 | etot = -15.0327457894382 +720000 ekin = 2.73835391684226 | erot = 3.12606615797135 | epot = -20.7642516702525 | etot = -14.8998315954389 +721000 ekin = 2.83298219908753 | erot = 2.86786361439833 | epot = -20.7356626767529 | etot = -15.034816863267 +722000 ekin = 2.84238954774475 | erot = 3.01300544894819 | epot = -20.6952880713171 | etot = -14.8398930746241 +723000 ekin = 2.83841887662262 | erot = 2.85261974479223 | epot = -20.6504830813446 | etot = -14.9594444599298 +724000 ekin = 3.01277617592975 | erot = 3.09042764557505 | epot = -20.6160634840689 | etot = -14.5128596625641 +725000 ekin = 3.17120635017288 | erot = 2.96143140596348 | epot = -20.5877395535627 | etot = -14.4551017974264 +726000 ekin = 3.20454859904884 | erot = 2.97124869107352 | epot = -20.5737408249942 | etot = -14.3979435348719 +727000 ekin = 3.1984655763458 | erot = 2.7778916861742 | epot = -20.5945168300517 | etot = -14.6181595675317 +728000 ekin = 3.28654276144391 | erot = 2.57414717613077 | epot = -20.6404573492144 | etot = -14.7797674116397 +729000 ekin = 3.34397855520275 | erot = 2.60607683819482 | epot = -20.6877535154518 | etot = -14.7376981220543 +730000 ekin = 3.33088715350252 | erot = 2.65576997467214 | epot = -20.7175880662474 | etot = -14.7309309380727 +731000 ekin = 3.33990502646325 | erot = 2.7896619781734 | epot = -20.7385421874518 | etot = -14.6089751828152 +732000 ekin = 3.27037431476568 | erot = 3.1640408813143 | epot = -20.7088668644647 | etot = -14.2744516683848 +733000 ekin = 3.1606234052805 | erot = 3.37415612395548 | epot = -20.6516575424079 | etot = -14.116878013172 +734000 ekin = 3.09953693998359 | erot = 3.25267070419757 | epot = -20.5803936969362 | etot = -14.228186052755 +735000 ekin = 2.94450728592303 | erot = 2.96857162868846 | epot = -20.4729949298549 | etot = -14.5599160152434 +736000 ekin = 2.79584817651803 | erot = 2.92396692050701 | epot = -20.3407691844261 | etot = -14.620954087401 +737000 ekin = 2.72272921166439 | erot = 3.17345753492486 | epot = -20.1979266935858 | etot = -14.3017399469965 +738000 ekin = 2.5433205678578 | erot = 3.29818161761706 | epot = -20.0303847475411 | etot = -14.1888825620663 +739000 ekin = 2.32323875619892 | erot = 2.93500343249736 | epot = -19.8750675706792 | etot = -14.6168253819829 +740000 ekin = 2.15390188391545 | erot = 2.57318962024234 | epot = -19.7116721317167 | etot = -14.9845806275589 +741000 ekin = 1.95437882697973 | erot = 2.32607517304428 | epot = -19.5750053199851 | etot = -15.2945513199611 +742000 ekin = 1.92783578015083 | erot = 2.13064797487013 | epot = -19.4713087417753 | etot = -15.4128249867543 +743000 ekin = 2.04931727768894 | erot = 2.05953320755502 | epot = -19.3808587546544 | etot = -15.2720082694104 +744000 ekin = 1.97574953400554 | erot = 2.06272487174928 | epot = -19.329223801607 | etot = -15.2907493958521 +745000 ekin = 2.04017863714723 | erot = 1.82427330713395 | epot = -19.329462761853 | etot = -15.4650108175718 +746000 ekin = 2.02395159386132 | erot = 1.96899911255016 | epot = -19.3725184887272 | etot = -15.3795677823157 +747000 ekin = 2.09406854938761 | erot = 1.94863482625799 | epot = -19.4739827252225 | etot = -15.4312793495769 +748000 ekin = 2.29815094637996 | erot = 1.90074449731056 | epot = -19.6283880334726 | etot = -15.4294925897821 +749000 ekin = 2.35637166185844 | erot = 1.88187224436566 | epot = -19.8091245759453 | etot = -15.5708806697212 +750000 ekin = 2.46261791012963 | erot = 1.68915240890083 | epot = -20.005990906907 | etot = -15.8542205878765 +751000 ekin = 2.60407300534169 | erot = 1.90400653681749 | epot = -20.20854709803 | etot = -15.7004675558708 +752000 ekin = 2.6908247014245 | erot = 2.30656368674367 | epot = -20.433005538186 | etot = -15.4356171500178 +753000 ekin = 2.86185352213746 | erot = 2.08508944835071 | epot = -20.6608245815303 | etot = -15.7138816110421 +754000 ekin = 2.98333808215654 | erot = 2.53924444651862 | epot = -20.8729357638506 | etot = -15.3503532351755 +755000 ekin = 3.15712054719953 | erot = 2.80998037917447 | epot = -21.0894092143859 | etot = -15.1223082880119 +756000 ekin = 3.33248676900302 | erot = 2.8531869799705 | epot = -21.269924842092 | etot = -15.0842510931185 +757000 ekin = 3.41680611924902 | erot = 2.92784780738217 | epot = -21.4304548340672 | etot = -15.0858009074361 +758000 ekin = 3.39156382871272 | erot = 2.78356707636024 | epot = -21.5766965986288 | etot = -15.4015656935559 +759000 ekin = 3.43155653282481 | erot = 2.83467624438543 | epot = -21.6891769319693 | etot = -15.4229441547591 +760000 ekin = 3.45801219419676 | erot = 2.61557400116959 | epot = -21.7546703090583 | etot = -15.681084113692 +761000 ekin = 3.37717727044754 | erot = 2.89563755209479 | epot = -21.7892028313228 | etot = -15.5163880087804 +762000 ekin = 3.47824550195028 | erot = 2.79188597259482 | epot = -21.7977512926642 | etot = -15.5276198181191 +763000 ekin = 3.47659880804277 | erot = 2.54885516262679 | epot = -21.7781604169457 | etot = -15.7527064462761 +764000 ekin = 3.45277978719479 | erot = 2.64283550756149 | epot = -21.704446978953 | etot = -15.6088316841967 +765000 ekin = 3.39906272086506 | erot = 2.44961754559284 | epot = -21.595031818652 | etot = -15.7463515521941 +766000 ekin = 3.34001470871222 | erot = 2.39682151597909 | epot = -21.4894395399038 | etot = -15.7526033152125 +767000 ekin = 3.45549704932984 | erot = 2.33544666401054 | epot = -21.3866970636423 | etot = -15.595753350302 +768000 ekin = 3.2619807407099 | erot = 2.45762138127385 | epot = -21.2912857370598 | etot = -15.571683615076 +769000 ekin = 3.16082467479752 | erot = 2.36075087935276 | epot = -21.2103530429967 | etot = -15.6887774888465 +770000 ekin = 3.07645918396866 | erot = 2.49259006307431 | epot = -21.1212342627877 | etot = -15.5521850157448 +771000 ekin = 2.92350840414357 | erot = 2.5627524330496 | epot = -21.0363085296099 | etot = -15.5500476924167 +772000 ekin = 2.75979211106249 | erot = 2.44752256772078 | epot = -20.9381586938684 | etot = -15.7308440150851 +773000 ekin = 2.71511621634628 | erot = 2.32937899997693 | epot = -20.8439731838771 | etot = -15.7994779675539 +774000 ekin = 2.55011810434133 | erot = 2.4833205550091 | epot = -20.7658389533283 | etot = -15.7324002939779 +775000 ekin = 2.41197388502347 | erot = 2.62818884118437 | epot = -20.7179622711123 | etot = -15.6777995449045 +776000 ekin = 2.37508963815622 | erot = 2.44136937227733 | epot = -20.7211512138299 | etot = -15.9046922033964 +777000 ekin = 2.34948686881498 | erot = 2.36213131358752 | epot = -20.7370244755334 | etot = -16.0254062931309 +778000 ekin = 2.29585534902512 | erot = 2.73124120723748 | epot = -20.7683121988633 | etot = -15.7412156426007 +779000 ekin = 2.18150396589516 | erot = 2.72210705119083 | epot = -20.8059074416481 | etot = -15.9022964245621 +780000 ekin = 2.26066885699459 | erot = 2.87221231082939 | epot = -20.8394643204864 | etot = -15.7065831526624 +781000 ekin = 2.27461625652605 | erot = 2.81372031403651 | epot = -20.8757314682942 | etot = -15.7873948977317 +782000 ekin = 2.19892592960427 | erot = 2.61785718560358 | epot = -20.896513130731 | etot = -16.0797300155231 +783000 ekin = 2.22941617588637 | erot = 2.47751279799149 | epot = -20.9183852720846 | etot = -16.2114562982067 +784000 ekin = 2.42718924867981 | erot = 2.81382459332938 | epot = -20.9279105230668 | etot = -15.6868966810576 +785000 ekin = 2.38825632563832 | erot = 2.70987963105489 | epot = -20.9108108361698 | etot = -15.8126748794765 +786000 ekin = 2.44404618711738 | erot = 2.52658585483967 | epot = -20.9041006583268 | etot = -15.9334686163698 +787000 ekin = 2.50702113933265 | erot = 2.2829310580732 | epot = -20.8749015767322 | etot = -16.0849493793263 +788000 ekin = 2.449066668908 | erot = 2.41360841664415 | epot = -20.8341700774429 | etot = -15.9714949918908 +789000 ekin = 2.52045486785602 | erot = 2.52744454804461 | epot = -20.7905656205231 | etot = -15.7426662046225 +790000 ekin = 2.52825818807968 | erot = 2.68548159035131 | epot = -20.7575819502236 | etot = -15.5438421717926 +791000 ekin = 2.64995125141669 | erot = 2.7398749354846 | epot = -20.7349773993635 | etot = -15.3451512124622 +792000 ekin = 2.70397080831142 | erot = 2.64980290799399 | epot = -20.7100100046771 | etot = -15.3562362883717 +793000 ekin = 2.75033294845277 | erot = 2.54340061653004 | epot = -20.7078362971787 | etot = -15.4141027321959 +794000 ekin = 2.86533813114897 | erot = 2.55380338833676 | epot = -20.7048471683322 | etot = -15.2857056488465 +795000 ekin = 2.78119650415392 | erot = 2.2671096734503 | epot = -20.7038606047267 | etot = -15.6555544271225 +796000 ekin = 2.75247729659435 | erot = 1.93248690499328 | epot = -20.7002506155577 | etot = -16.0152864139701 +797000 ekin = 2.87695524377374 | erot = 1.75440457751947 | epot = -20.7015802402501 | etot = -16.0702204189569 +798000 ekin = 2.92176058311451 | erot = 1.87424589751703 | epot = -20.7289229999119 | etot = -15.9329165192803 +799000 ekin = 2.84123141391864 | erot = 1.69781273980121 | epot = -20.7536194869373 | etot = -16.2145753332175 +800000 ekin = 2.88647051776051 | erot = 1.88458846794839 | epot = -20.7813888694617 | etot = -16.0103298837528 +801000 ekin = 2.82188707288349 | erot = 1.97533232918811 | epot = -20.785439046684 | etot = -15.9882196446124 +802000 ekin = 2.80670744878582 | erot = 1.9217082384784 | epot = -20.7694229323805 | etot = -16.0410072451162 +803000 ekin = 2.81917409800211 | erot = 1.86293659025173 | epot = -20.7368809564661 | etot = -16.0547702682123 +804000 ekin = 2.81542679490125 | erot = 1.82483816347956 | epot = -20.7049136915728 | etot = -16.064648733192 +805000 ekin = 2.76621025300973 | erot = 1.80656496128526 | epot = -20.6689552876867 | etot = -16.0961800733917 +806000 ekin = 2.65050365938186 | erot = 2.07564631955327 | epot = -20.6394756033499 | etot = -15.9133256244147 +807000 ekin = 2.55624134566849 | erot = 2.16054307897175 | epot = -20.6134778956027 | etot = -15.8966934709625 +808000 ekin = 2.48738013720894 | erot = 2.3214738917894 | epot = -20.5888178207126 | etot = -15.7799637917143 +809000 ekin = 2.4786273298809 | erot = 2.48498826094782 | epot = -20.5619387083683 | etot = -15.5983231175395 +810000 ekin = 2.39703068581702 | erot = 2.81931500773821 | epot = -20.5424309669724 | etot = -15.3260852734171 +811000 ekin = 2.3788728748584 | erot = 2.69438802886514 | epot = -20.5520463788999 | etot = -15.4787854751764 +812000 ekin = 2.28085047814011 | erot = 2.42485138426983 | epot = -20.5550539173041 | etot = -15.8493520548942 +813000 ekin = 2.25229479784333 | erot = 2.55707080478997 | epot = -20.5502753315573 | etot = -15.740909728924 +814000 ekin = 2.22024450946101 | erot = 2.84053382533205 | epot = -20.5291885807552 | etot = -15.4684102459621 +815000 ekin = 2.14652605610512 | erot = 2.67021357483775 | epot = -20.4999623788213 | etot = -15.6832227478784 +816000 ekin = 2.15941760298178 | erot = 2.59153501297961 | epot = -20.4557339217928 | etot = -15.7047813058314 +817000 ekin = 2.16476188533233 | erot = 2.33413354584406 | epot = -20.3878114616857 | etot = -15.8889160305093 +818000 ekin = 2.23169646758985 | erot = 2.16459446462094 | epot = -20.3094264209637 | etot = -15.9131354887529 +819000 ekin = 2.15183597112987 | erot = 1.96236374628708 | epot = -20.2442212233182 | etot = -16.1300215059012 +820000 ekin = 2.15160519820162 | erot = 1.78654941276898 | epot = -20.1685556064365 | etot = -16.2304009954659 +821000 ekin = 2.11411181703442 | erot = 1.59439007001326 | epot = -20.1045081087122 | etot = -16.3960062216645 +822000 ekin = 2.09578590796817 | erot = 1.82458690696508 | epot = -20.0615873148671 | etot = -16.1412144999339 +823000 ekin = 2.08554311077394 | erot = 1.79122152448742 | epot = -20.05426155862 | etot = -16.1774969233586 +824000 ekin = 2.06608530910562 | erot = 1.83488646651511 | epot = -20.0832229529292 | etot = -16.1822511773085 +825000 ekin = 2.12914321441473 | erot = 2.12189619250084 | epot = -20.129726854944 | etot = -15.8786874480284 +826000 ekin = 2.17617898744283 | erot = 2.29556289596582 | epot = -20.1726463529248 | etot = -15.7009044695161 +827000 ekin = 2.15419331300564 | erot = 2.34308143022498 | epot = -20.2056332381731 | etot = -15.7083584949425 +828000 ekin = 2.20039878821187 | erot = 2.41783518802144 | epot = -20.2229965044052 | etot = -15.6047625281719 +829000 ekin = 2.20314847732563 | erot = 2.56607297380303 | epot = -20.2051061030748 | etot = -15.4358846519461 +830000 ekin = 2.30175185120447 | erot = 2.43964061204034 | epot = -20.1552304697959 | etot = -15.4138380065511 +831000 ekin = 2.24000691994535 | erot = 2.16496177189548 | epot = -20.0860391808212 | etot = -15.6810704889804 +832000 ekin = 2.23825638063332 | erot = 2.25483913353678 | epot = -20.0235934169574 | etot = -15.5304979027873 +833000 ekin = 2.16205349111635 | erot = 1.94237500276366 | epot = -19.98792746414 | etot = -15.88349897026 +834000 ekin = 2.16740768022471 | erot = 1.70564999745791 | epot = -19.9844147815713 | etot = -16.1113571038887 +835000 ekin = 2.17278893541038 | erot = 1.56429512699083 | epot = -20.0201055001643 | etot = -16.2830214377631 +836000 ekin = 2.12097731365439 | erot = 1.73560474622193 | epot = -20.0572346764648 | etot = -16.2006526165885 +837000 ekin = 2.13598638451579 | erot = 1.79213525365431 | epot = -20.0629697156965 | etot = -16.1348480775264 +838000 ekin = 2.15523665997388 | erot = 1.65975767864979 | epot = -20.0531324206636 | etot = -16.23813808204 +839000 ekin = 2.18050335550322 | erot = 1.62185210117962 | epot = -20.0624518040171 | etot = -16.2600963473343 +840000 ekin = 2.26003994524067 | erot = 1.64754456826616 | epot = -20.0987090628811 | etot = -16.1911245493743 +841000 ekin = 2.35849160545659 | erot = 1.45991256461148 | epot = -20.1235761929063 | etot = -16.3051720228382 +842000 ekin = 2.30506950612859 | erot = 1.67704941831981 | epot = -20.1403357838886 | etot = -16.1582168594402 +843000 ekin = 2.2500061210523 | erot = 1.57916412105133 | epot = -20.1787490850449 | etot = -16.3495788429413 +844000 ekin = 2.36131993993639 | erot = 1.7422482396807 | epot = -20.2587879559386 | etot = -16.1552197763215 +845000 ekin = 2.37622491879818 | erot = 1.78604993278495 | epot = -20.3527813128756 | etot = -16.1905064612925 +846000 ekin = 2.34115102661073 | erot = 1.84579845054569 | epot = -20.4555275090993 | etot = -16.2685780319429 +847000 ekin = 2.41159198035449 | erot = 1.92961286076146 | epot = -20.5532540909634 | etot = -16.2120492498474 +848000 ekin = 2.31213774862315 | erot = 2.08278486795981 | epot = -20.6337560180198 | etot = -16.2388334014369 +849000 ekin = 2.30336620270284 | erot = 2.04122209248456 | epot = -20.6821032694946 | etot = -16.3375149743072 +850000 ekin = 2.25629668954034 | erot = 2.18270894613907 | epot = -20.7098894953332 | etot = -16.2708838596538 +851000 ekin = 2.29979938433462 | erot = 2.41406540449308 | epot = -20.7044118358106 | etot = -15.9905470469829 +852000 ekin = 2.26390891815814 | erot = 2.16338375104463 | epot = -20.6569849671616 | etot = -16.2296922979588 +853000 ekin = 2.30424571101269 | erot = 1.99747184850889 | epot = -20.5998336497754 | etot = -16.2981160902538 +854000 ekin = 2.36419736155922 | erot = 2.06846824934134 | epot = -20.5204281972685 | etot = -16.087762586368 +855000 ekin = 2.34728028486071 | erot = 1.93310140620006 | epot = -20.4489431066129 | etot = -16.1685614155521 +856000 ekin = 2.30561682537882 | erot = 1.74682255934551 | epot = -20.3871281777728 | etot = -16.3346887930485 +857000 ekin = 2.27745448387204 | erot = 1.83570056454375 | epot = -20.3461722185291 | etot = -16.2330171701133 +858000 ekin = 2.36509593163705 | erot = 1.75581829580632 | epot = -20.3410559181939 | etot = -16.2201416907505 +859000 ekin = 2.38832938274166 | erot = 1.82095166272796 | epot = -20.3690417944101 | etot = -16.1597607489404 +860000 ekin = 2.52181162102379 | erot = 1.95420940577036 | epot = -20.4478015207828 | etot = -15.9717804939886 +861000 ekin = 2.62858628470775 | erot = 1.82148423675541 | epot = -20.5405427960158 | etot = -16.0904722745526 +862000 ekin = 2.69973060754128 | erot = 1.84887576916202 | epot = -20.662955197763 | etot = -16.1143488210597 +863000 ekin = 2.90205526612742 | erot = 1.9505383034712 | epot = -20.7912991546473 | etot = -15.9387055850487 +864000 ekin = 3.12658816228328 | erot = 1.98858429691928 | epot = -20.8929021658141 | etot = -15.7777297066115 +865000 ekin = 3.16945674700263 | erot = 1.86291391059832 | epot = -20.9419832509072 | etot = -15.9096125933062 +866000 ekin = 3.25216934165261 | erot = 1.97645641207194 | epot = -20.9567552239711 | etot = -15.7281294702465 +867000 ekin = 3.2494503723315 | erot = 1.84073824549774 | epot = -20.9282973760209 | etot = -15.8381087581916 +868000 ekin = 3.07999788772614 | erot = 1.92805224835502 | epot = -20.8706478182271 | etot = -15.862597682146 +869000 ekin = 2.91009138976912 | erot = 1.95537175968477 | epot = -20.7577406936844 | etot = -15.8922775442305 +870000 ekin = 2.98633737341233 | erot = 1.74639234614424 | epot = -20.6193203055692 | etot = -15.8865905860126 +871000 ekin = 2.82797025785063 | erot = 2.2221678986274 | epot = -20.5143766346296 | etot = -15.4642384781516 +872000 ekin = 2.75225970096219 | erot = 2.04685014109629 | epot = -20.419745056361 | etot = -15.6206352143025 +873000 ekin = 2.76508179334976 | erot = 2.0780239133508 | epot = -20.3610564187735 | etot = -15.5179507120729 +874000 ekin = 2.70667266094239 | erot = 2.03935635819004 | epot = -20.3167066993027 | etot = -15.5706776801702 +875000 ekin = 2.75331326518739 | erot = 1.87289863150002 | epot = -20.2923067700679 | etot = -15.6660948733804 +876000 ekin = 2.71618421707332 | erot = 1.89637161128803 | epot = -20.2754390470308 | etot = -15.6628832186694 +877000 ekin = 2.71649559901581 | erot = 2.02021579600109 | epot = -20.2646771674153 | etot = -15.5279657723984 +878000 ekin = 2.62749245340236 | erot = 1.88626086619175 | epot = -20.2836933343764 | etot = -15.7699400147823 +879000 ekin = 2.74884813769589 | erot = 1.75263692861076 | epot = -20.3265216122734 | etot = -15.8250365459667 +880000 ekin = 2.71696155764913 | erot = 1.77313431669201 | epot = -20.4055312116441 | etot = -15.9154353373029 +881000 ekin = 2.78382645158938 | erot = 1.81182472346934 | epot = -20.5191596774775 | etot = -15.9235085024187 +882000 ekin = 2.81130894387557 | erot = 2.09576450580371 | epot = -20.6489904734918 | etot = -15.7419170238125 +883000 ekin = 2.88120316600255 | erot = 2.27294351864347 | epot = -20.7888871990884 | etot = -15.6347405144424 +884000 ekin = 2.90293873255487 | erot = 2.48430131570226 | epot = -20.9203204845748 | etot = -15.5330804363176 +885000 ekin = 2.83822193724247 | erot = 2.33567911137719 | epot = -21.0170580718202 | etot = -15.8431570232006 +886000 ekin = 2.79980127208535 | erot = 2.39879132479705 | epot = -21.1056755206464 | etot = -15.907082923764 +887000 ekin = 2.84559753547752 | erot = 2.23279918443311 | epot = -21.1991974917516 | etot = -16.120800771841 +888000 ekin = 2.78048788087594 | erot = 2.21910506766694 | epot = -21.2985745989321 | etot = -16.2989816503892 +889000 ekin = 2.69583578763822 | erot = 2.42515435306365 | epot = -21.3860199387973 | etot = -16.2650297980954 +890000 ekin = 2.58377832307665 | erot = 2.46763021206624 | epot = -21.4668454924046 | etot = -16.4154369572618 +891000 ekin = 2.65145947657465 | erot = 2.54188813630582 | epot = -21.5059683813089 | etot = -16.3126207684284 +892000 ekin = 2.67593216257268 | erot = 2.30931133615791 | epot = -21.5221026652212 | etot = -16.5368591664906 +893000 ekin = 2.63303791081994 | erot = 2.54633069672419 | epot = -21.5431241050783 | etot = -16.3637554975342 +894000 ekin = 2.67500961491449 | erot = 2.62632956964425 | epot = -21.5659877596137 | etot = -16.264648575055 +895000 ekin = 2.69351100875689 | erot = 2.87253630615196 | epot = -21.5608314238545 | etot = -15.9947841089456 +896000 ekin = 2.73971679868387 | erot = 2.8375196836984 | epot = -21.5599160231104 | etot = -15.9826795407282 +897000 ekin = 2.5902415606045 | erot = 3.14999384860249 | epot = -21.516909346574 | etot = -15.776673937367 +898000 ekin = 2.53463691976883 | erot = 2.86279041479487 | epot = -21.4480578810232 | etot = -16.0506305464595 +899000 ekin = 2.47014007897575 | erot = 2.84092875108416 | epot = -21.4001318574341 | etot = -16.0890630273742 +900000 ekin = 2.41396838915872 | erot = 2.6111943771977 | epot = -21.3171783985112 | etot = -16.2920156321548 +901000 ekin = 2.39217135029546 | erot = 2.42887884956528 | epot = -21.2332353575315 | etot = -16.4121851576708 +902000 ekin = 2.35623147489279 | erot = 2.68618153800013 | epot = -21.1565378225643 | etot = -16.1141248096714 +903000 ekin = 2.40445872766433 | erot = 2.65960453389378 | epot = -21.0523977096234 | etot = -15.9883344480653 +904000 ekin = 2.38268859333691 | erot = 2.75563140701143 | epot = -20.925421167619 | etot = -15.7871011672707 +905000 ekin = 2.33859357853536 | erot = 2.74896960744429 | epot = -20.7865758980935 | etot = -15.6990127121138 +906000 ekin = 2.24424050125651 | erot = 2.6721901140042 | epot = -20.6458687615366 | etot = -15.7294381462758 +907000 ekin = 2.11959693796205 | erot = 2.69124042762419 | epot = -20.5218058154346 | etot = -15.7109684498484 +908000 ekin = 1.99538198820349 | erot = 2.73765845183728 | epot = -20.4226667461159 | etot = -15.6896263060752 +909000 ekin = 1.91948050394701 | erot = 2.81092155872986 | epot = -20.3715084186367 | etot = -15.6411063559599 +910000 ekin = 1.8655950428113 | erot = 2.50422584065975 | epot = -20.3542958576836 | etot = -15.9844749742126 +911000 ekin = 1.93700212306605 | erot = 2.70182168284106 | epot = -20.36304703947 | etot = -15.7242232335629 +912000 ekin = 2.01297731830373 | erot = 2.5933346831101 | epot = -20.4016114857558 | etot = -15.795299484342 +913000 ekin = 2.04893253293605 | erot = 2.44335563755528 | epot = -20.4595271951793 | etot = -15.967239024688 +914000 ekin = 2.13522967419267 | erot = 2.04488675557119 | epot = -20.5157656558608 | etot = -16.3356492260969 +915000 ekin = 2.25766070321671 | erot = 1.97393473123396 | epot = -20.6118613948302 | etot = -16.3802659603795 +916000 ekin = 2.21223622141659 | erot = 2.10345838304649 | epot = -20.7544105240985 | etot = -16.4387159196355 +917000 ekin = 2.40651996373637 | erot = 1.99495172303712 | epot = -20.9073170323377 | etot = -16.5058453455642 +918000 ekin = 2.5361573098891 | erot = 2.01638663666306 | epot = -21.0405250498192 | etot = -16.4879811032671 +919000 ekin = 2.65442530964944 | erot = 2.08762135935637 | epot = -21.171971145483 | etot = -16.4299244764772 +920000 ekin = 2.77534951778621 | erot = 2.11359099299359 | epot = -21.2829839475284 | etot = -16.3940434367486 +921000 ekin = 2.91643782768201 | erot = 2.28215815938532 | epot = -21.3691506671597 | etot = -16.1705546800924 +922000 ekin = 2.9556740067861 | erot = 1.92472032499983 | epot = -21.4077235507572 | etot = -16.5273292189713 +923000 ekin = 2.96258486890851 | erot = 1.54690402842656 | epot = -21.3938794896997 | etot = -16.8843905923646 +924000 ekin = 2.92134762613169 | erot = 1.70996406555908 | epot = -21.3449839261319 | etot = -16.7136722344412 +925000 ekin = 2.84653903464837 | erot = 1.92806668586753 | epot = -21.2846325911293 | etot = -16.5100268706134 +926000 ekin = 2.90254254848568 | erot = 2.07364806195503 | epot = -21.2015262749296 | etot = -16.2253356644889 +927000 ekin = 2.91395828926385 | erot = 2.18066099339434 | epot = -21.1200145418058 | etot = -16.0253952591476 +928000 ekin = 2.8451289411599 | erot = 2.48044872209644 | epot = -20.9999796012797 | etot = -15.6744019380233 +929000 ekin = 2.66004165976089 | erot = 2.5177933604696 | epot = -20.8727093584581 | etot = -15.6948743382276 +930000 ekin = 2.65454667829403 | erot = 2.5756927474138 | epot = -20.7556416891762 | etot = -15.5254022634684 +931000 ekin = 2.67423829393911 | erot = 2.88523636975878 | epot = -20.6759551108847 | etot = -15.1164804471868 +932000 ekin = 2.62616449296317 | erot = 2.54798110237906 | epot = -20.6086291233295 | etot = -15.4344835279872 +933000 ekin = 2.69383973705561 | erot = 2.46235736679292 | epot = -20.5456125856306 | etot = -15.389415481782 +934000 ekin = 2.7677642743107 | erot = 2.3410108478683 | epot = -20.4809121018793 | etot = -15.3721369797003 +935000 ekin = 2.72642510821342 | erot = 2.35916469229072 | epot = -20.421116596235 | etot = -15.3355267957309 +936000 ekin = 2.79063797840903 | erot = 2.07475414089676 | epot = -20.3957585636203 | etot = -15.5303664443145 +937000 ekin = 2.98467692525982 | erot = 1.99225267024792 | epot = -20.4024768464836 | etot = -15.4255472509759 +938000 ekin = 3.04156516590295 | erot = 2.13242133064001 | epot = -20.3998804937971 | etot = -15.2258939972542 +939000 ekin = 3.07943235169605 | erot = 2.19292802789723 | epot = -20.3770156967224 | etot = -15.1046553171291 +940000 ekin = 3.11450220916298 | erot = 2.05442808222248 | epot = -20.338662940712 | etot = -15.1697326493265 +941000 ekin = 3.16737235726218 | erot = 2.43340006549767 | epot = -20.276052119725 | etot = -14.6752796969652 +942000 ekin = 3.27652888451136 | erot = 2.440543875825 | epot = -20.1668692973993 | etot = -14.449796537063 +943000 ekin = 3.13900445201095 | erot = 2.17030471354829 | epot = -20.026706304132 | etot = -14.7173971385727 +944000 ekin = 3.115776797146 | erot = 1.97360877260937 | epot = -19.8813791244599 | etot = -14.7919935547045 +945000 ekin = 3.14747064890596 | erot = 1.73794156198896 | epot = -19.73006542878 | etot = -14.8446532178851 +946000 ekin = 3.06500562594201 | erot = 1.59817914677177 | epot = -19.5836319520482 | etot = -14.9204471793344 +947000 ekin = 3.06465941958359 | erot = 1.56394261373872 | epot = -19.4474159558772 | etot = -14.8188139225549 +948000 ekin = 3.07897503028507 | erot = 1.70141948030269 | epot = -19.3426980410742 | etot = -14.5623035304865 +949000 ekin = 2.87406117522915 | erot = 1.60153309498395 | epot = -19.2597755284807 | etot = -14.7841812582676 +950000 ekin = 2.84815804599135 | erot = 1.4271569018952 | epot = -19.2062266956087 | etot = -14.9309117477221 +951000 ekin = 2.78080942687071 | erot = 1.40916295422847 | epot = -19.1985529774587 | etot = -15.0085805963595 +952000 ekin = 2.67957446722111 | erot = 1.63751827005629 | epot = -19.1980674262526 | etot = -14.8809746889752 +953000 ekin = 2.69185316270131 | erot = 1.85029680460115 | epot = -19.2316635394472 | etot = -14.6895135721448 +954000 ekin = 2.64694034455319 | erot = 2.11448729476973 | epot = -19.2977991859257 | etot = -14.5363715466028 +955000 ekin = 2.73224102166805 | erot = 2.37373438935258 | epot = -19.3777324828798 | etot = -14.2717570718591 +956000 ekin = 2.80603458830151 | erot = 2.32665803374313 | epot = -19.4665233130263 | etot = -14.3338306909816 +957000 ekin = 2.73176061747201 | erot = 2.74205596111958 | epot = -19.5249802574393 | etot = -14.0511636788477 +958000 ekin = 2.77128367160812 | erot = 2.70682711528389 | epot = -19.5522596510489 | etot = -14.0741488641569 +959000 ekin = 2.78347654187703 | erot = 2.83940326280204 | epot = -19.5446437759979 | etot = -13.9217639713188 +960000 ekin = 2.63327999523985 | erot = 3.22713050217902 | epot = -19.5114109332441 | etot = -13.6510004358253 +961000 ekin = 2.53039842552533 | erot = 3.04837954363136 | epot = -19.4489807736385 | etot = -13.8702028044818 +962000 ekin = 2.42158405784708 | erot = 2.73764467618042 | epot = -19.3495392486846 | etot = -14.1903105146571 +963000 ekin = 2.35599553488234 | erot = 2.68171440217426 | epot = -19.2270773719364 | etot = -14.1893674348798 +964000 ekin = 2.25219457310666 | erot = 2.53224426940247 | epot = -19.0939126804608 | etot = -14.3094738379516 +965000 ekin = 2.15172115406585 | erot = 2.50742636400585 | epot = -18.965540109871 | etot = -14.3063925917993 +966000 ekin = 2.08836430745308 | erot = 2.10683533981447 | epot = -18.8740473984183 | etot = -14.6788477511507 +967000 ekin = 2.12576981405813 | erot = 2.10554977010201 | epot = -18.8222969563422 | etot = -14.5909773721821 +968000 ekin = 2.1292401689921 | erot = 1.91970464113333 | epot = -18.8304973627001 | etot = -14.7815525525746 +969000 ekin = 2.1744253034849 | erot = 2.16512140090537 | epot = -18.8673529233375 | etot = -14.5278062189472 +970000 ekin = 2.18162741265366 | erot = 2.24508625813671 | epot = -18.9283529594578 | etot = -14.5016392886674 +971000 ekin = 2.1872176318086 | erot = 2.43353633304484 | epot = -19.0277599144679 | etot = -14.4070059496144 +972000 ekin = 2.2705546404458 | erot = 2.03487376489205 | epot = -19.12908661878 | etot = -14.8236582134421 +973000 ekin = 2.33904004605622 | erot = 2.1518392891247 | epot = -19.2366611806893 | etot = -14.7457818455084 +974000 ekin = 2.4184780784401 | erot = 2.34438108784224 | epot = -19.3631184324864 | etot = -14.600259266204 +975000 ekin = 2.46206146488035 | erot = 2.35624199281851 | epot = -19.4736098152942 | etot = -14.6553063575954 +976000 ekin = 2.52456876946493 | erot = 2.27614398265601 | epot = -19.564991557351 | etot = -14.7642788052301 +977000 ekin = 2.60637564524348 | erot = 2.07093705811744 | epot = -19.6101874123269 | etot = -14.932874708966 +978000 ekin = 2.61064269720999 | erot = 2.072025245106 | epot = -19.6294451297035 | etot = -14.9467771873875 +979000 ekin = 2.55561169069442 | erot = 2.18920140876197 | epot = -19.6166445363178 | etot = -14.8718314368614 +980000 ekin = 2.56864273287433 | erot = 2.03395631393331 | epot = -19.6174963338775 | etot = -15.0148972870698 +981000 ekin = 2.66191070196797 | erot = 2.1665909590768 | epot = -19.6250525963032 | etot = -14.7965509352584 +982000 ekin = 2.61731281327803 | erot = 2.24698893274284 | epot = -19.5974740187268 | etot = -14.7331722727059 +983000 ekin = 2.54225454915863 | erot = 2.48926874093363 | epot = -19.5745894051773 | etot = -14.5430661150851 +984000 ekin = 2.50737950403339 | erot = 3.03624865807167 | epot = -19.5602814074042 | etot = -14.0166532452991 +985000 ekin = 2.41525281557154 | erot = 2.79336029081712 | epot = -19.5475069203691 | etot = -14.3388938139804 +986000 ekin = 2.43517645380123 | erot = 2.71437828234949 | epot = -19.5659718124297 | etot = -14.416417076279 +987000 ekin = 2.43635014041211 | erot = 2.70440060167989 | epot = -19.6117703785928 | etot = -14.4710196365008 +988000 ekin = 2.47223137990766 | erot = 3.04012548433551 | epot = -19.6728653378127 | etot = -14.1605084735695 +989000 ekin = 2.57461282782905 | erot = 2.65740086918245 | epot = -19.7180658550378 | etot = -14.4860521580263 +990000 ekin = 2.67359097736915 | erot = 2.60446843961483 | epot = -19.7676266504487 | etot = -14.4895672334648 +991000 ekin = 2.7042668817371 | erot = 2.78857306259774 | epot = -19.8289708825362 | etot = -14.3361309382014 +992000 ekin = 2.77048904951409 | erot = 3.05066231165506 | epot = -19.9192662402546 | etot = -14.0981148790855 +993000 ekin = 2.82958876080101 | erot = 2.65444369525341 | epot = -20.0030938662596 | etot = -14.5190614102052 +994000 ekin = 2.90170601691324 | erot = 2.65673610083159 | epot = -20.0686975144625 | etot = -14.5102553967177 +995000 ekin = 3.03287923230103 | erot = 2.40306030617926 | epot = -20.1412612654703 | etot = -14.70532172699 +996000 ekin = 3.01357004889746 | erot = 1.93970518668616 | epot = -20.2209046421983 | etot = -15.2676294066147 +997000 ekin = 3.16382267303395 | erot = 2.09671009945301 | epot = -20.2929309039621 | etot = -15.0323981314751 +998000 ekin = 3.20277399494116 | erot = 2.11561017239357 | epot = -20.3495982469419 | etot = -15.0312140796072 +999000 ekin = 3.17166482809342 | erot = 2.14572404428907 | epot = -20.3850372708097 | etot = -15.0676483984272 +1000000 ekin = 3.19306217159857 | erot = 2.46621953381515 | epot = -20.4393210047155 | etot = -14.7800392993018 + 1000000 0.14191387 -1.3172305 0.039772926 -1.0778912 3.1162031e-05 64000 +Loop time of 20.4289 on 4 procs for 1000000 steps with 16 atoms + +Performance: 42293.109 tau/day, 48950.357 timesteps/s +99.6% CPU use with 4 MPI tasks x no OpenMP threads + +MPI task timing breakdown: +Section | min time | avg time | max time |%varavg| %total +--------------------------------------------------------------- +Pair | 6.166 | 9.113 | 12.302 | 77.6 | 44.61 +Bond | 0.28759 | 0.35897 | 0.40037 | 7.6 | 1.76 +Neigh | 0.007409 | 0.0075045 | 0.007636 | 0.1 | 0.04 +Comm | 4.5107 | 7.8624 | 10.62 | 83.8 | 38.49 +Output | 0.091711 | 0.096687 | 0.10744 | 2.0 | 0.47 +Modify | 1.2913 | 1.4454 | 1.6019 | 11.5 | 7.08 +Other | | 1.545 | | | 7.56 + +Nlocal: 4.00000 ave 5 max 3 min +Histogram: 2 0 0 0 0 0 0 0 0 2 +Nghost: 12.0000 ave 13 max 11 min +Histogram: 2 0 0 0 0 0 0 0 0 2 +Neighs: 26.7500 ave 45 max 11 min +Histogram: 1 0 1 0 0 0 1 0 0 1 + +Total # of neighbors = 107 +Ave neighs/atom = 6.6875000 +Ave special neighs/atom = 3.7500000 +Neighbor list builds = 1000 +Dangerous builds = 0 + +write_data last_config.${number}.* nocoeff +write_data last_config.2.* nocoeff +System init for write_data ... +#write_restart last_config.${number}.* +Total wall time: 0:00:20 diff --git a/examples/PACKAGES/cgdna/examples/oxDNA2/duplex3/in.duplex3 b/examples/PACKAGES/cgdna/examples/oxDNA2/duplex3/in.duplex3 index 0dba271f98..1f6bcc5bef 100644 --- a/examples/PACKAGES/cgdna/examples/oxDNA2/duplex3/in.duplex3 +++ b/examples/PACKAGES/cgdna/examples/oxDNA2/duplex3/in.duplex3 @@ -8,7 +8,7 @@ units lj dimension 3 -newton off +newton on boundary p p p @@ -69,3 +69,4 @@ dump_modify out format line "%d %d %d %22.15le %22.15le %22.15le %d %d %d %22 run 1000000 write_data last_config.${number}.* nocoeff +#write_restart last_config.${number}.* diff --git a/examples/PACKAGES/cgdna/examples/oxDNA2/duplex3/log.27May21.duplex3.g++.1 b/examples/PACKAGES/cgdna/examples/oxDNA2/duplex3/log.27May21.duplex3.g++.1 deleted file mode 100644 index 965502247e..0000000000 --- a/examples/PACKAGES/cgdna/examples/oxDNA2/duplex3/log.27May21.duplex3.g++.1 +++ /dev/null @@ -1,1180 +0,0 @@ -LAMMPS (27 May 2021) -variable number equal 3 -variable ofreq equal 1000 -variable efreq equal 1000 -variable T equal 0.1 -variable rhos equal 0.2 - -units lj - -dimension 3 - -newton off - -boundary p p p - -atom_style hybrid bond ellipsoid oxdna -WARNING: Atom style hybrid defines both, per-type and per-atom masses; both must be set, but only per-atom masses will be used (../atom_vec_hybrid.cpp:157) -atom_modify sort 0 1.0 - -# Pair interactions require lists of neighbours to be calculated -neighbor 2.0 bin -neigh_modify every 1 delay 0 check yes - -read_data data.duplex3 -Reading data file ... - orthogonal box = (-20.000000 -20.000000 -20.000000) to (20.000000 20.000000 20.000000) - 1 by 1 by 1 MPI processor grid - reading atoms ... - 10 atoms - reading velocities ... - 10 velocities - scanning bonds ... - 2 = max bonds/atom - 10 ellipsoids - reading bonds ... - 8 bonds -Finding 1-2 1-3 1-4 neighbors ... - special bond factors lj: 0 0 0 - special bond factors coul: 0 0 0 - 2 = max # of 1-2 neighbors - 2 = max # of 1-3 neighbors - 2 = max # of 1-4 neighbors - 4 = max # of special neighbors - special bonds CPU = 0.000 seconds - read_data CPU = 0.003 seconds - -set atom * mass 1.0 -Setting atom values ... - 10 settings made for mass - -group all type 1 4 -10 atoms in group all - -# oxDNA2 bond interactions - FENE backbone -bond_style oxdna2/fene -bond_coeff * 2.0 0.25 0.7564 -special_bonds lj 0 1 1 -Finding 1-2 1-3 1-4 neighbors ... - special bond factors lj: 0 1 1 - special bond factors coul: 0 0 0 - 2 = max # of 1-2 neighbors - 2 = max # of 1-3 neighbors - 2 = max # of 1-4 neighbors - 4 = max # of special neighbors - special bonds CPU = 0.000 seconds - -# oxDNA2 pair interactions -pair_style hybrid/overlay oxdna2/excv oxdna2/stk oxdna2/hbond oxdna2/xstk oxdna2/coaxstk oxdna2/dh -pair_coeff * * oxdna2/excv 2.0 0.7 0.675 2.0 0.515 0.5 2.0 0.33 0.32 -pair_coeff * * oxdna2/stk seqdep ${T} 1.3523 2.6717 6.0 0.4 0.9 0.32 0.75 1.3 0 0.8 0.9 0 0.95 0.9 0 0.95 2.0 0.65 2.0 0.65 -pair_coeff * * oxdna2/stk seqdep 0.1 1.3523 2.6717 6.0 0.4 0.9 0.32 0.75 1.3 0 0.8 0.9 0 0.95 0.9 0 0.95 2.0 0.65 2.0 0.65 -pair_coeff * * oxdna2/hbond seqdep 0.0 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 -pair_coeff 1 4 oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 -pair_coeff 2 3 oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 -pair_coeff * * oxdna2/xstk 47.5 0.575 0.675 0.495 0.655 2.25 0.791592653589793 0.58 1.7 1.0 0.68 1.7 1.0 0.68 1.5 0 0.65 1.7 0.875 0.68 1.7 0.875 0.68 -pair_coeff * * oxdna2/coaxstk 58.5 0.4 0.6 0.22 0.58 2.0 2.891592653589793 0.65 1.3 0 0.8 0.9 0 0.95 0.9 0 0.95 40.0 3.116592653589793 -pair_coeff * * oxdna2/dh ${T} ${rhos} 0.815 -pair_coeff * * oxdna2/dh 0.1 ${rhos} 0.815 -pair_coeff * * oxdna2/dh 0.1 0.2 0.815 - -# NVE ensemble -fix 1 all nve/asphere -#fix 2 all langevin ${T} ${T} 2.5 457145 angmom 10 - -timestep 1e-5 - -#comm_style tiled -fix 3 all balance 1000 1.03 shift xyz 10 1.03 -comm_modify cutoff 3.8 - -compute quat all property/atom quatw quati quatj quatk - -compute erot all erotate/asphere -compute ekin all ke -compute epot all pe -variable erot equal c_erot -variable ekin equal c_ekin -variable epot equal c_epot -variable etot equal c_erot+c_ekin+c_epot -fix 5 all print ${efreq} "$(step) ekin = ${ekin} | erot = ${erot} | epot = ${epot} | etot = ${etot}" screen yes -fix 5 all print 1000 "$(step) ekin = ${ekin} | erot = ${erot} | epot = ${epot} | etot = ${etot}" screen yes - -dump out all custom ${ofreq} out.${number}.lammpstrj id mol type x y z ix iy iz vx vy vz c_quat[1] c_quat[2] c_quat[3] c_quat[4] angmomx angmomy angmomz -dump out all custom 1000 out.${number}.lammpstrj id mol type x y z ix iy iz vx vy vz c_quat[1] c_quat[2] c_quat[3] c_quat[4] angmomx angmomy angmomz -dump out all custom 1000 out.3.lammpstrj id mol type x y z ix iy iz vx vy vz c_quat[1] c_quat[2] c_quat[3] c_quat[4] angmomx angmomy angmomz -dump_modify out sort id -dump_modify out format line "%d %d %d %22.15le %22.15le %22.15le %d %d %d %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le" - -run 1000000 -Neighbor list info ... - update every 1 steps, delay 0 steps, check yes - max neighbors/atom: 2000, page size: 100000 - master list distance cutoff = 5.6389877 - ghost atom cutoff = 5.6389877 - binsize = 2.8194939, bins = 15 15 15 - 5 neighbor lists, perpetual/occasional/extra = 5 0 0 - (1) pair oxdna2/excv, perpetual - attributes: half, newton off - pair build: half/bin/newtoff - stencil: full/bin/3d - bin: standard - (2) pair oxdna2/hbond, perpetual, copy from (1) - attributes: half, newton off - pair build: copy - stencil: none - bin: none - (3) pair oxdna2/xstk, perpetual, copy from (1) - attributes: half, newton off - pair build: copy - stencil: none - bin: none - (4) pair oxdna2/coaxstk, perpetual, copy from (1) - attributes: half, newton off - pair build: copy - stencil: none - bin: none - (5) pair oxdna2/dh, perpetual, copy from (1) - attributes: half, newton off - pair build: copy - stencil: none - bin: none -WARNING: Communication cutoff adjusted to 5.638987723814632 (../comm.cpp:739) -0 ekin = 1.18025158324274 | erot = 2.17908479136507 | epot = -11.4931199991265 | etot = -8.13378362451864 -Per MPI rank memory allocation (min/avg/max) = 9.448 | 9.448 | 9.448 Mbytes -Step Temp E_pair E_mol TotEng Press Volume - 0 0.087426043 -1.2259004 0.076588446 -1.0312868 -7.7802026e-06 64000 -1000 ekin = 1.08696491147664 | erot = 2.23197650714075 | epot = -11.4527250425129 | etot = -8.13378362389549 -2000 ekin = 1.01265115460252 | erot = 2.29132031278141 | epot = -11.4377550908151 | etot = -8.13378362343119 -3000 ekin = 0.964951920610361 | erot = 2.35614244814783 | epot = -11.4548779921653 | etot = -8.13378362340706 -4000 ekin = 0.945861179227109 | erot = 2.42482489276794 | epot = -11.504469695762 | etot = -8.13378362376699 -5000 ekin = 0.952186940161594 | erot = 2.49508744948287 | epot = -11.5810580140496 | etot = -8.13378362440513 -6000 ekin = 0.976836955567338 | erot = 2.56435791368456 | epot = -11.6749784943528 | etot = -8.1337836251009 -7000 ekin = 1.01151727363105 | erot = 2.63034980765842 | epot = -11.7756507069156 | etot = -8.13378362562613 -8000 ekin = 1.04963768886897 | erot = 2.69159648304405 | epot = -11.8750177977506 | etot = -8.13378362583758 -9000 ekin = 1.08831406483925 | erot = 2.74768757650641 | epot = -11.9697852671577 | etot = -8.133783625812 -10000 ekin = 1.12769894654433 | erot = 2.79881902231422 | epot = -12.0603015945014 | etot = -8.13378362564289 -11000 ekin = 1.16997706279096 | erot = 2.84539220453504 | epot = -12.1491528928086 | etot = -8.13378362548262 -12000 ekin = 1.21772825403563 | erot = 2.88753582693543 | epot = -12.2390477064186 | etot = -8.13378362544753 -13000 ekin = 1.2724727764863 | erot = 2.92478423931379 | epot = -12.3310406413901 | etot = -8.13378362559001 -14000 ekin = 1.33384628320073 | erot = 2.95599632290764 | epot = -12.4236262320191 | etot = -8.13378362591071 -15000 ekin = 1.39936071611664 | erot = 2.97947113417335 | epot = -12.512615476685 | etot = -8.13378362639499 -16000 ekin = 1.46443870928024 | erot = 2.99312358077433 | epot = -12.5913459174139 | etot = -8.13378362735931 -17000 ekin = 1.52113741921509 | erot = 2.9943026010584 | epot = -12.6492236482456 | etot = -8.13378362797207 -18000 ekin = 1.56143918576787 | erot = 2.98098620608849 | epot = -12.6762090203242 | etot = -8.13378362846781 -19000 ekin = 1.57873438318794 | erot = 2.95206674454563 | epot = -12.6645847564923 | etot = -8.13378362875874 -20000 ekin = 1.56841348053791 | erot = 2.90735147312963 | epot = -12.6095485824455 | etot = -8.133783628778 -21000 ekin = 1.52886464109308 | erot = 2.84765291368983 | epot = -12.5103011832753 | etot = -8.13378362849243 -22000 ekin = 1.46209217703488 | erot = 2.77478397647202 | epot = -12.3706597813886 | etot = -8.13378362788172 -23000 ekin = 1.37376733102673 | erot = 2.6915572831373 | epot = -12.1991082412398 | etot = -8.13378362707573 -24000 ekin = 1.27262109890791 | erot = 2.60118350194759 | epot = -12.0075882269997 | etot = -8.13378362614423 -25000 ekin = 1.16926502294375 | erot = 2.50703692695192 | epot = -11.8100855751042 | etot = -8.13378362520853 -26000 ekin = 1.0747148994514 | erot = 2.41235840152815 | epot = -11.6208569253572 | etot = -8.13378362437762 -27000 ekin = 0.998982995755809 | erot = 2.31997753232677 | epot = -11.4527441518066 | etot = -8.13378362372405 -28000 ekin = 0.950065052892319 | erot = 2.23215621537589 | epot = -11.3160048915417 | etot = -8.13378362327347 -29000 ekin = 0.933483801722587 | erot = 2.15056100102976 | epot = -11.2178284257646 | etot = -8.13378362301223 -30000 ekin = 0.95233516433604 | erot = 2.07633501131224 | epot = -11.1624537985557 | etot = -8.13378362290739 -31000 ekin = 1.00761822011315 | erot = 2.01025995539434 | epot = -11.1516617984317 | etot = -8.13378362292424 -32000 ekin = 1.09859027316477 | erot = 1.95287201474931 | epot = -11.1852459109706 | etot = -8.13378362305649 -33000 ekin = 1.2229634825769 | erot = 1.90442653272443 | epot = -11.2611736386122 | etot = -8.13378362331086 -34000 ekin = 1.37683793249577 | erot = 1.8649833610543 | epot = -11.3756049172808 | etot = -8.13378362373071 -35000 ekin = 1.55422271443449 | erot = 1.83436013830191 | epot = -11.5223664771471 | etot = -8.13378362441069 -36000 ekin = 1.74589607048132 | erot = 1.81205442227464 | epot = -11.6917341182485 | etot = -8.13378362549252 -37000 ekin = 1.93777565280851 | erot = 1.79705197600549 | epot = -11.8686112558399 | etot = -8.13378362702594 -38000 ekin = 2.11051089015034 | erot = 1.78782890330234 | epot = -12.0321234221666 | etot = -8.13378362871392 -39000 ekin = 2.24321482588503 | erot = 1.78271510837231 | epot = -12.1597135641243 | etot = -8.133783629867 -40000 ekin = 2.32146151921639 | erot = 1.78073283005123 | epot = -12.2359779791646 | etot = -8.13378362989703 -41000 ekin = 2.34386750101386 | erot = 1.78241563043111 | epot = -12.2600667603297 | etot = -8.13378362888477 -42000 ekin = 2.32118218527095 | erot = 1.78979050959074 | epot = -12.2447563223397 | etot = -8.133783627478 -43000 ekin = 2.26309111555158 | erot = 1.80539262076469 | epot = -12.2022673943963 | etot = -8.13378365808002 -44000 ekin = 2.15856242114831 | erot = 1.84609032619602 | epot = -12.1384363880306 | etot = -8.13378364068628 -45000 ekin = 2.08936731003525 | erot = 1.88904724563036 | epot = -12.1121981822921 | etot = -8.13378362662651 -46000 ekin = 1.9964611597006 | erot = 1.93503982400423 | epot = -12.0652846104764 | etot = -8.13378362677155 -47000 ekin = 1.89712577412051 | erot = 1.98806984898582 | epot = -12.0189792501525 | etot = -8.13378362704613 -48000 ekin = 1.79036864863104 | erot = 2.04496273496233 | epot = -11.9691150108767 | etot = -8.13378362728334 -49000 ekin = 1.67630116263937 | erot = 2.10216327906907 | epot = -11.9122480690704 | etot = -8.13378362736196 -50000 ekin = 1.55727015247065 | erot = 2.15637892895979 | epot = -11.8474327086503 | etot = -8.13378362721984 -51000 ekin = 1.43817433709145 | erot = 2.20514040032694 | epot = -11.7770983642843 | etot = -8.13378362686593 -52000 ekin = 1.32596547232174 | erot = 2.24710946475006 | epot = -11.7068585634503 | etot = -8.13378362637853 -53000 ekin = 1.22848082922914 | erot = 2.2820475921038 | epot = -11.6443120472107 | etot = -8.13378362587772 -54000 ekin = 1.15295119316271 | erot = 2.31049933939888 | epot = -11.5972341580451 | etot = -8.13378362548352 -55000 ekin = 1.10463170766328 | erot = 2.33334681406839 | epot = -11.5717621470129 | etot = -8.13378362528126 -56000 ekin = 1.08590799517335 | erot = 2.35139880092329 | epot = -11.5710904214036 | etot = -8.133783625307 -57000 ekin = 1.09599893485501 | erot = 2.36511154450529 | epot = -11.5948941049137 | etot = -8.13378362555341 -58000 ekin = 1.13119803471017 | erot = 2.37445830578815 | epot = -11.6394399664723 | etot = -8.13378362597402 -59000 ekin = 1.18549837183919 | erot = 2.37891691863231 | epot = -11.6981989169902 | etot = -8.13378362651871 -60000 ekin = 1.25136230662771 | erot = 2.37755306615247 | epot = -11.7626989998987 | etot = -8.1337836271185 -61000 ekin = 1.32065657328812 | erot = 2.3691782337931 | epot = -11.8236184347914 | etot = -8.13378362771016 -62000 ekin = 1.38555350991078 | erot = 2.35258911579052 | epot = -11.871926253894 | etot = -8.13378362819273 -63000 ekin = 1.43966787267656 | erot = 2.32682848519596 | epot = -11.900279986355 | etot = -8.13378362848243 -64000 ekin = 1.47909503438177 | erot = 2.29144993715397 | epot = -11.904328600069 | etot = -8.13378362853329 -65000 ekin = 1.50288049774097 | erot = 2.24670960905114 | epot = -11.8833737351501 | etot = -8.13378362835798 -66000 ekin = 1.5127450759902 | erot = 2.19359684183 | epot = -11.8401255458509 | etot = -8.13378362803075 -67000 ekin = 1.51208659633015 | erot = 2.13371356874813 | epot = -11.7795837927184 | etot = -8.13378362764017 -68000 ekin = 1.50462166617945 | erot = 2.06904733139784 | epot = -11.7074526249093 | etot = -8.13378362733203 -69000 ekin = 1.49293889166151 | erot = 2.00167765430527 | epot = -11.6284001731037 | etot = -8.13378362713692 -70000 ekin = 1.47793621174634 | erot = 1.93361210060374 | epot = -11.5453319394055 | etot = -8.13378362705547 -71000 ekin = 1.45891349102838 | erot = 1.86670994694699 | epot = -11.4594070650146 | etot = -8.13378362703923 -72000 ekin = 1.43427842101615 | erot = 1.80270883809022 | epot = -11.3707708861216 | etot = -8.13378362701521 -73000 ekin = 1.40258583891021 | erot = 1.74331039193092 | epot = -11.2796798577521 | etot = -8.13378362691097 -74000 ekin = 1.36359371155269 | erot = 1.69025647754919 | epot = -11.1876338157821 | etot = -8.13378362668024 -75000 ekin = 1.31886252565201 | erot = 1.64533820718028 | epot = -11.0979843591716 | etot = -8.13378362633934 -76000 ekin = 1.27181692773741 | erot = 1.61030043593592 | epot = -11.0159009896013 | etot = -8.13378362592798 -77000 ekin = 1.22767338921994 | erot = 1.58670952555608 | epot = -10.9481665402833 | etot = -8.1337836255073 -78000 ekin = 1.19187425881965 | erot = 1.57555521121131 | epot = -10.9012130952116 | etot = -8.13378362518063 -79000 ekin = 1.16922470588817 | erot = 1.5771660153409 | epot = -10.8801743462041 | etot = -8.133783624975 -80000 ekin = 1.16351312193735 | erot = 1.59112852775418 | epot = -10.8884252746035 | etot = -8.13378362491193 -81000 ekin = 1.17709123428941 | erot = 1.61633850893096 | epot = -10.9272133682121 | etot = -8.1337836249917 -82000 ekin = 1.21064005584025 | erot = 1.65118762576695 | epot = -10.9956113068161 | etot = -8.13378362520889 -83000 ekin = 1.26297331742732 | erot = 1.69382675572848 | epot = -11.0905836987108 | etot = -8.13378362555503 -84000 ekin = 1.33092648687658 | erot = 1.74243133123673 | epot = -11.2071414441142 | etot = -8.13378362600085 -85000 ekin = 1.40961218427362 | erot = 1.7954064033782 | epot = -11.3388022141303 | etot = -8.13378362647843 -86000 ekin = 1.49330005467921 | erot = 1.85150064414008 | epot = -11.478584325705 | etot = -8.13378362688575 -87000 ekin = 1.57653380716702 | erot = 1.90982169886824 | epot = -11.6201391333936 | etot = -8.13378362735836 -88000 ekin = 1.65416408678856 | erot = 1.96971725895481 | epot = -11.7576649732582 | etot = -8.13378362751481 -89000 ekin = 1.72360216634181 | erot = 2.03055934337529 | epot = -11.8879451373045 | etot = -8.1337836275874 -90000 ekin = 1.785009845894 | erot = 2.09126219979601 | epot = -12.0100556734362 | etot = -8.13378362774622 -91000 ekin = 1.83789001415892 | erot = 2.15001837237356 | epot = -12.1216920145417 | etot = -8.13378362800922 -92000 ekin = 1.87517809322897 | erot = 2.20985483887517 | epot = -12.21881656028 | etot = -8.1337836281759 -93000 ekin = 1.90356384535099 | erot = 2.26204903047949 | epot = -12.2993965046575 | etot = -8.13378362882701 -94000 ekin = 1.91566641673062 | erot = 2.30892488078268 | epot = -12.3583749263608 | etot = -8.13378362884745 -95000 ekin = 1.9109576938402 | erot = 2.34997522029996 | epot = -12.3947165431007 | etot = -8.13378362896051 -96000 ekin = 1.88948402498914 | erot = 2.38411475951057 | epot = -12.4073824132803 | etot = -8.13378362878061 -97000 ekin = 1.85343811133912 | erot = 2.4113304629222 | epot = -12.3985522027163 | etot = -8.13378362845495 -98000 ekin = 1.8068427523029 | erot = 2.43203206054824 | epot = -12.3726584408911 | etot = -8.13378362803995 -99000 ekin = 1.75478641123191 | erot = 2.44692977736841 | epot = -12.3354998162068 | etot = -8.13378362760648 -100000 ekin = 1.69590911435714 | erot = 2.45386958409525 | epot = -12.2835623848859 | etot = -8.1337836864335 -101000 ekin = 1.68113249375248 | erot = 2.36572534112453 | epot = -12.1806414642139 | etot = -8.13378362933689 -102000 ekin = 1.7267856590017 | erot = 2.35051337712499 | epot = -12.2110826965905 | etot = -8.13378366046378 -103000 ekin = 1.68338599487705 | erot = 2.35411811039604 | epot = -12.1712877656948 | etot = -8.13378366042173 -104000 ekin = 1.64323586412853 | erot = 2.35701648102718 | epot = -12.1340360056519 | etot = -8.13378366049622 -105000 ekin = 1.60584113472054 | erot = 2.35932964102246 | epot = -12.0989544363531 | etot = -8.1337836606101 -106000 ekin = 1.57044138011807 | erot = 2.36092776943221 | epot = -12.0651528102264 | etot = -8.13378366067613 -107000 ekin = 1.53705400250973 | erot = 2.36166253248191 | epot = -12.0325001956581 | etot = -8.13378366066648 -108000 ekin = 1.50696391591126 | erot = 2.3612855734919 | epot = -12.0020331499846 | etot = -8.13378366058145 -109000 ekin = 1.48244426546657 | erot = 2.35938088270994 | epot = -11.9756088087053 | etot = -8.13378366052874 -110000 ekin = 1.46539913148075 | erot = 2.35530683146149 | epot = -11.9544896235796 | etot = -8.13378366063734 -111000 ekin = 1.45548748017616 | erot = 2.34818065606081 | epot = -11.9374517972408 | etot = -8.13378366100382 -112000 ekin = 1.44872729612952 | erot = 2.3369554826694 | epot = -11.9194664403751 | etot = -8.13378366157621 -113000 ekin = 1.43805495586496 | erot = 2.32068695509389 | epot = -11.8925255730876 | etot = -8.13378366212871 -114000 ekin = 1.41640788690877 | erot = 2.29883886662103 | epot = -11.8490304158909 | etot = -8.13378366236113 -115000 ekin = 1.3806378182208 | erot = 2.27153218573294 | epot = -11.7859536655159 | etot = -8.13378366156219 -116000 ekin = 1.3363054030841 | erot = 2.23942220246119 | epot = -11.7095112666475 | etot = -8.13378366110222 -117000 ekin = 1.29001229198302 | erot = 2.20380811829898 | epot = -11.6276040708683 | etot = -8.13378366058632 -118000 ekin = 1.2471154883471 | erot = 2.16635124019895 | epot = -11.5472503887776 | etot = -8.13378366023153 -119000 ekin = 1.21073685469415 | erot = 2.12872161390258 | epot = -11.4732421286711 | etot = -8.13378366007441 -120000 ekin = 1.18115748419429 | erot = 2.09256534610061 | epot = -11.40750649033 | etot = -8.13378366003514 -121000 ekin = 1.15688642101082 | erot = 2.05947511288391 | epot = -11.3501451939309 | etot = -8.13378366003619 -122000 ekin = 1.13593168276749 | erot = 2.03084061403901 | epot = -11.3005559568652 | etot = -8.13378366005868 -123000 ekin = 1.11638811965923 | erot = 2.00761097209058 | epot = -11.2577827519199 | etot = -8.13378366017012 -124000 ekin = 1.09616325371727 | erot = 1.99019695902073 | epot = -11.2201438730112 | etot = -8.13378366027324 -125000 ekin = 1.07358508996122 | erot = 1.97820026039366 | epot = -11.1855690107827 | etot = -8.13378366042782 -126000 ekin = 1.04712198978498 | erot = 1.9703093700724 | epot = -11.1512150205173 | etot = -8.1337836606599 -127000 ekin = 1.01560359550538 | erot = 1.96476336054353 | epot = -11.1141506168026 | etot = -8.13378366075366 -128000 ekin = 0.979281846652461 | erot = 1.95990906194967 | epot = -11.0729745693076 | etot = -8.13378366070543 -129000 ekin = 0.940294043230153 | erot = 1.95428772921574 | epot = -11.0283654329015 | etot = -8.1337836604556 -130000 ekin = 0.902735823607613 | erot = 1.94710047764783 | epot = -10.9836199613556 | etot = -8.13378366010013 -131000 ekin = 0.872329759140091 | erot = 1.93820575526851 | epot = -10.9443191739575 | etot = -8.13378365954893 -132000 ekin = 0.855045600562661 | erot = 1.92803271303708 | epot = -10.91686197287 | etot = -8.13378365927029 -133000 ekin = 0.854775562822957 | erot = 1.91694878880986 | epot = -10.9055080107091 | etot = -8.13378365907624 -134000 ekin = 0.873981086379292 | erot = 1.90549522489472 | epot = -10.9132599702538 | etot = -8.13378365897974 -135000 ekin = 0.913690181742145 | erot = 1.89429118508536 | epot = -10.9417650257947 | etot = -8.13378365896716 -136000 ekin = 0.973734451665867 | erot = 1.88395321784255 | epot = -10.9914713285358 | etot = -8.13378365902736 -137000 ekin = 1.05255313135959 | erot = 1.87488800080386 | epot = -11.061224792006 | etot = -8.13378365984251 -138000 ekin = 1.14435249948545 | erot = 1.8662689721206 | epot = -11.1444051316855 | etot = -8.13378366007948 -139000 ekin = 1.24448357091338 | erot = 1.8582143500676 | epot = -11.2364815813236 | etot = -8.13378366034262 -140000 ekin = 1.34860347563747 | erot = 1.85113522079124 | epot = -11.3335223570932 | etot = -8.1337836606645 -141000 ekin = 1.45162669266304 | erot = 1.84534635451925 | epot = -11.430756708267 | etot = -8.13378366108474 -142000 ekin = 1.54663919844502 | erot = 1.84103156950906 | epot = -11.5214544297491 | etot = -8.13378366179501 -143000 ekin = 1.62470110239408 | erot = 1.83813053702609 | epot = -11.5966153018864 | etot = -8.13378366246618 -144000 ekin = 1.67710589256287 | erot = 1.83622813336409 | epot = -11.6471176890259 | etot = -8.13378366309898 -145000 ekin = 1.69650852159047 | erot = 1.83477115527449 | epot = -11.6650633403349 | etot = -8.13378366346991 -146000 ekin = 1.6799825027065 | erot = 1.83334306418678 | epot = -11.6471092301924 | etot = -8.13378366329909 -147000 ekin = 1.63255928725504 | erot = 1.83204496822992 | epot = -11.5983879178782 | etot = -8.13378366239327 -148000 ekin = 1.56926257377443 | erot = 1.83182914755782 | epot = -11.5348753821883 | etot = -8.13378366085607 -149000 ekin = 1.5130082497773 | erot = 1.8345272799431 | epot = -11.4813191889253 | etot = -8.13378365920492 -150000 ekin = 1.4872496378471 | erot = 1.84235837448555 | epot = -11.4633916705174 | etot = -8.1337836581848 -151000 ekin = 1.50619323822985 | erot = 1.85697474829955 | epot = -11.4969516448356 | etot = -8.13378365830622 -152000 ekin = 1.56855992602591 | erot = 1.8784728263849 | epot = -11.5808164119014 | etot = -8.1337836594906 -153000 ekin = 1.659144896466 | erot = 1.90493735115907 | epot = -11.6978659087716 | etot = -8.13378366114655 -154000 ekin = 1.75680978950758 | erot = 1.93282846213553 | epot = -11.8234219142217 | etot = -8.1337836625786 -155000 ekin = 1.84344901658449 | erot = 1.95802697046832 | epot = -11.9352596504334 | etot = -8.13378366338056 -156000 ekin = 1.90893795388443 | erot = 1.97697594926066 | epot = -12.0196975667215 | etot = -8.13378366357642 -157000 ekin = 1.95061494385923 | erot = 1.98738512433497 | epot = -12.0717837316312 | etot = -8.13378366343705 -158000 ekin = 1.96976178337713 | erot = 1.98837447181473 | epot = -12.0919199183611 | etot = -8.13378366316927 -159000 ekin = 1.96892634677231 | erot = 1.98033790354813 | epot = -12.0830479131017 | etot = -8.13378366278126 -160000 ekin = 1.9516760180595 | erot = 1.96478101829957 | epot = -12.050240698581 | etot = -8.13378366222189 -161000 ekin = 1.92323849263791 | erot = 1.94408396543495 | epot = -12.001106119617 | etot = -8.13378366154412 -162000 ekin = 1.89012785139911 | erot = 1.92106669306923 | epot = -11.9449782053599 | etot = -8.13378366089159 -163000 ekin = 1.85873206626373 | erot = 1.89844726529898 | epot = -11.8909629919524 | etot = -8.13378366038965 -164000 ekin = 1.83396756863943 | erot = 1.87841814938186 | epot = -11.8461693781076 | etot = -8.13378366008633 -165000 ekin = 1.81873657814088 | erot = 1.86247026312249 | epot = -11.8149905012201 | etot = -8.13378365995669 -166000 ekin = 1.81415764355322 | erot = 1.85144128795253 | epot = -11.7993825914514 | etot = -8.1337836599456 -167000 ekin = 1.82014338462818 | erot = 1.84569577974688 | epot = -11.7996228243663 | etot = -8.1337836599912 -168000 ekin = 1.83604973591334 | erot = 1.84534918673525 | epot = -11.8151825826932 | etot = -8.13378366004457 -169000 ekin = 1.86118807804032 | erot = 1.85047766429904 | epot = -11.8454494024153 | etot = -8.13378366007595 -170000 ekin = 1.89508209492126 | erot = 1.86127600745024 | epot = -11.8901417624553 | etot = -8.13378366008384 -171000 ekin = 1.93739070093814 | erot = 1.87813927221141 | epot = -11.9493136332464 | etot = -8.13378366009684 -172000 ekin = 1.98746465492706 | erot = 1.90165699566163 | epot = -12.0229053107602 | etot = -8.13378366017153 -173000 ekin = 2.04358732260736 | erot = 1.93252470914458 | epot = -12.1098956921179 | etot = -8.13378366036599 -174000 ekin = 2.10212586880692 | erot = 1.9713911136612 | epot = -12.2073006432561 | etot = -8.13378366078798 -175000 ekin = 2.15653164019911 | erot = 2.01868623997432 | epot = -12.3090015416377 | etot = -8.13378366146426 -176000 ekin = 2.19700590631317 | erot = 2.07444517694542 | epot = -12.4052347456347 | etot = -8.13378366237607 -177000 ekin = 2.21275117726748 | erot = 2.13809655452265 | epot = -12.4846313951108 | etot = -8.13378366332064 -178000 ekin = 2.19103084137816 | erot = 2.20849637361836 | epot = -12.5333108794522 | etot = -8.13378366445569 -179000 ekin = 2.0500295875572 | erot = 2.27647492405869 | epot = -12.4602881626278 | etot = -8.13378365101191 -180000 ekin = 2.00100366281084 | erot = 2.36086155180544 | epot = -12.49564888609 | etot = -8.13378367147368 -181000 ekin = 1.82885344502819 | erot = 2.44444025932702 | epot = -12.4070773745337 | etot = -8.13378367017847 -182000 ekin = 1.62724610560594 | erot = 2.53221325513872 | epot = -12.2932430288217 | etot = -8.13378366807706 -183000 ekin = 1.42880501135671 | erot = 2.62540058534349 | epot = -12.1879892625419 | etot = -8.13378366584172 -184000 ekin = 1.26714962832124 | erot = 2.72561981850446 | epot = -12.1265531111181 | etot = -8.13378366429242 -185000 ekin = 1.16606552757969 | erot = 2.83366450732262 | epot = -12.1335136988422 | etot = -8.13378366393991 -186000 ekin = 1.13327188784896 | erot = 2.94811459460546 | epot = -12.2151701472116 | etot = -8.13378366475722 -187000 ekin = 1.16127663962576 | erot = 3.06454091657731 | epot = -12.3596012225475 | etot = -8.13378366634445 -188000 ekin = 1.23275799228642 | erot = 3.17578119614188 | epot = -12.5423228566629 | etot = -8.13378366823461 -189000 ekin = 1.32637276316072 | erot = 3.27316596760526 | epot = -12.7333224008237 | etot = -8.13378367005767 -190000 ekin = 1.42100795808807 | erot = 3.34817980173637 | epot = -12.9029714313702 | etot = -8.13378367154575 -191000 ekin = 1.49794111549843 | erot = 3.39410379075346 | epot = -13.0258285788618 | etot = -8.13378367260988 -192000 ekin = 1.54262156679656 | erot = 3.4072016542923 | epot = -13.0836068940668 | etot = -8.13378367297795 -193000 ekin = 1.54797240883502 | erot = 3.38715231466146 | epot = -13.0689083961198 | etot = -8.13378367262328 -194000 ekin = 1.51467582661458 | erot = 3.33705387754744 | epot = -12.9855133757564 | etot = -8.13378367159443 -195000 ekin = 1.45101621748247 | erot = 3.2626931288523 | epot = -12.8474930164474 | etot = -8.13378367011261 -196000 ekin = 1.37083042970781 | erot = 3.17132041678911 | epot = -12.6759345150009 | etot = -8.13378366850402 -197000 ekin = 1.29009120536726 | erot = 3.070362659358 | epot = -12.4942375317752 | etot = -8.13378366704997 -198000 ekin = 1.22364196643961 | erot = 2.96652382643999 | epot = -12.3239494587833 | etot = -8.13378366590366 -199000 ekin = 1.18307710083256 | erot = 2.86542144217758 | epot = -12.1822822081301 | etot = -8.13378366511998 -200000 ekin = 1.17564340951927 | erot = 2.77158698378744 | epot = -12.0810140580301 | etot = -8.13378366472343 -201000 ekin = 1.20359619391753 | erot = 2.68856918537176 | epot = -12.0259490440297 | etot = -8.13378366474036 -202000 ekin = 1.26374726413799 | erot = 2.61894189740052 | epot = -12.0164728267167 | etot = -8.13378366517818 -203000 ekin = 1.34751597563128 | erot = 2.56419616426444 | epot = -12.0454958058709 | etot = -8.13378366597521 -204000 ekin = 1.44203337890014 | erot = 2.52468734318922 | epot = -12.1005043890645 | etot = -8.13378366697514 -205000 ekin = 1.53246038205369 | erot = 2.49972903140502 | epot = -12.1659730814068 | etot = -8.13378366794806 -206000 ekin = 1.60510558525686 | erot = 2.48793425280268 | epot = -12.226823506722 | etot = -8.13378366866246 -207000 ekin = 1.6503955672318 | erot = 2.48771410987726 | epot = -12.2718933460774 | etot = -8.13378366896831 -208000 ekin = 1.6647192426388 | erot = 2.49772662877186 | epot = -12.2962295402584 | etot = -8.13378366884771 -209000 ekin = 1.65060780281985 | erot = 2.51706178773876 | epot = -12.3014532589741 | etot = -8.13378366841553 -210000 ekin = 1.6152961353015 | erot = 2.54506818372093 | epot = -12.2941479869023 | etot = -8.13378366787986 -211000 ekin = 1.56815998339941 | erot = 2.58088870847273 | epot = -12.2828323593492 | etot = -8.1337836674771 -212000 ekin = 1.51779769211966 | erot = 2.62289115839993 | epot = -12.2744725179132 | etot = -8.13378366739362 -213000 ekin = 1.46970697786411 | erot = 2.66822787294319 | epot = -12.2717185184984 | etot = -8.13378366769114 -214000 ekin = 1.42551121611936 | erot = 2.71271314915558 | epot = -12.2720080334461 | etot = -8.1337836681712 -215000 ekin = 1.38449526701769 | erot = 2.75113858809828 | epot = -12.2694175238335 | etot = -8.13378366871751 -216000 ekin = 1.34611450510656 | erot = 2.77818905444611 | epot = -12.2580872284511 | etot = -8.13378366889838 -217000 ekin = 1.31348152811926 | erot = 2.7896405318765 | epot = -12.2369057285547 | etot = -8.13378366855898 -218000 ekin = 1.29458639919466 | erot = 2.78319145109127 | epot = -12.2115615182389 | etot = -8.13378366795296 -219000 ekin = 1.29978448123113 | erot = 2.75785865494217 | epot = -12.1914268036072 | etot = -8.13378366743386 -220000 ekin = 1.33694784981763 | erot = 2.7136363430195 | epot = -12.1843678601775 | etot = -8.13378366734035 -221000 ekin = 1.40745643921106 | erot = 2.65092088134252 | epot = -12.1921609882712 | etot = -8.13378366771763 -222000 ekin = 1.50572252625996 | erot = 2.57029476952272 | epot = -12.2098009641037 | etot = -8.13378366832102 -223000 ekin = 1.62210843375796 | erot = 2.47289007334085 | epot = -12.2287821759282 | etot = -8.13378366882936 -224000 ekin = 1.74679393022953 | erot = 2.36097135919324 | epot = -12.2415489584554 | etot = -8.1337836690326 -225000 ekin = 1.87205636329989 | erot = 2.23842454190504 | epot = -12.2442645742133 | etot = -8.13378366900838 -226000 ekin = 1.99134598106712 | erot = 2.11064622098391 | epot = -12.2357758711293 | etot = -8.13378366907824 -227000 ekin = 2.09586639151718 | erot = 1.9836470405116 | epot = -12.2132971015581 | etot = -8.1337836695293 -228000 ekin = 2.17197666667466 | erot = 1.86293503717766 | epot = -12.1686953741912 | etot = -8.13378367033886 -229000 ekin = 2.20263173192656 | erot = 1.75265294154698 | epot = -12.0890683445905 | etot = -8.133783671117 -230000 ekin = 2.17321554606928 | erot = 1.65532359970842 | epot = -11.9623228171293 | etot = -8.13378367135164 -231000 ekin = 2.07854920573229 | erot = 1.57213281486697 | epot = -11.7844656913359 | etot = -8.13378367073669 -232000 ekin = 1.92671195021964 | erot = 1.50340464294821 | epot = -11.5639002625321 | etot = -8.13378366936424 -233000 ekin = 1.73729705956061 | erot = 1.44896834770241 | epot = -11.320049074932 | etot = -8.13378366766899 -234000 ekin = 1.53556953354815 | erot = 1.40834045937497 | epot = -11.0776936590029 | etot = -8.13378366607974 -235000 ekin = 1.34558700580172 | erot = 1.38078818073889 | epot = -10.8601588514745 | etot = -8.13378366493391 -236000 ekin = 1.18525206422618 | erot = 1.36570263210385 | epot = -10.6847383605463 | etot = -8.13378366421624 -237000 ekin = 1.06637029724371 | erot = 1.36251012102833 | epot = -10.5626640820865 | etot = -8.13378366381442 -238000 ekin = 0.995491212021415 | erot = 1.37070429771399 | epot = -10.4999791733994 | etot = -8.13378366366397 -239000 ekin = 0.975031518632071 | erot = 1.38971384126899 | epot = -10.49852902367 | etot = -8.13378366376892 -240000 ekin = 1.00352423904758 | erot = 1.4186603402425 | epot = -10.5559682434632 | etot = -8.13378366417311 -241000 ekin = 1.07556704774244 | erot = 1.45612900246834 | epot = -10.6654797151283 | etot = -8.13378366491751 -242000 ekin = 1.18122375067339 | erot = 1.49994629855496 | epot = -10.8149537152528 | etot = -8.13378366602447 -243000 ekin = 1.30634294707463 | erot = 1.54703331020089 | epot = -10.9871599246161 | etot = -8.13378366734062 -244000 ekin = 1.43466609576172 | erot = 1.59374373480244 | epot = -11.1621934990192 | etot = -8.13378366845507 -245000 ekin = 1.55091944171262 | erot = 1.63606515904662 | epot = -11.3207682704728 | etot = -8.13378366971357 -246000 ekin = 1.63963426714594 | erot = 1.67091688012747 | epot = -11.44433481791 | etot = -8.13378367063654 -247000 ekin = 1.68912292676109 | erot = 1.69643192578617 | epot = -11.5193385235868 | etot = -8.13378367103955 -248000 ekin = 1.69418623366497 | erot = 1.71223298155038 | epot = -11.5402028860522 | etot = -8.13378367083691 -249000 ekin = 1.65708464249967 | erot = 1.71943097162633 | epot = -11.5102992843205 | etot = -8.13378367019453 -250000 ekin = 1.58639864685292 | erot = 1.72015982289402 | epot = -11.4403421388607 | etot = -8.13378366911377 -251000 ekin = 1.4955593640773 | erot = 1.71716072440084 | epot = -11.3465037564424 | etot = -8.13378366796425 -252000 ekin = 1.39930346630793 | erot = 1.71298107622663 | epot = -11.2460682095263 | etot = -8.13378366699178 -253000 ekin = 1.31034898359465 | erot = 1.70949093459542 | epot = -11.1536235845406 | etot = -8.13378366635058 -254000 ekin = 1.23716194123275 | erot = 1.70776552340113 | epot = -11.0787111307323 | etot = -8.1337836660984 -255000 ekin = 1.1830573384521 | erot = 1.70821467485075 | epot = -11.0250556794499 | etot = -8.13378366614706 -256000 ekin = 1.14729363432733 | erot = 1.71063275158168 | epot = -10.9917100522905 | etot = -8.13378366638151 -257000 ekin = 1.12650460108618 | erot = 1.71454195552784 | epot = -10.9748302232638 | etot = -8.13378366664974 -258000 ekin = 1.11669715917854 | erot = 1.71938873503291 | epot = -10.9698695610653 | etot = -8.13378366685386 -259000 ekin = 1.11461746403823 | erot = 1.72463904931068 | epot = -10.973040180336 | etot = -8.13378366698711 -260000 ekin = 1.11796213299236 | erot = 1.72976096813939 | epot = -10.981506768234 | etot = -8.13378366710223 -261000 ekin = 1.12495929560755 | erot = 1.73429797646801 | epot = -10.9930409392085 | etot = -8.1337836671329 -262000 ekin = 1.13415334886775 | erot = 1.73799782227182 | epot = -11.0059348383752 | etot = -8.13378366723562 -263000 ekin = 1.14419248657758 | erot = 1.74014341283967 | epot = -11.0181195666639 | etot = -8.13378366724668 -264000 ekin = 1.15486713033053 | erot = 1.7401404967673 | epot = -11.0287912942166 | etot = -8.13378366711881 -265000 ekin = 1.16757148072449 | erot = 1.73774643956173 | epot = -11.0391015871626 | etot = -8.1337836668764 -266000 ekin = 1.18492523334689 | erot = 1.73313774545392 | epot = -11.0518466454007 | etot = -8.13378366659988 -267000 ekin = 1.20976553808707 | erot = 1.72682085390381 | epot = -11.0703700583714 | etot = -8.13378366638055 -268000 ekin = 1.24403111905802 | erot = 1.71946869065433 | epot = -11.0972834759964 | etot = -8.13378366628403 -269000 ekin = 1.28796807043146 | erot = 1.71176934564053 | epot = -11.1335210824081 | etot = -8.13378366633612 -270000 ekin = 1.33984072253416 | erot = 1.70434119615581 | epot = -11.1779655852127 | etot = -8.13378366652273 -271000 ekin = 1.39615730896201 | erot = 1.69774776464813 | epot = -11.227688740386 | etot = -8.13378366677587 -272000 ekin = 1.45234426470507 | erot = 1.69276715684496 | epot = -11.2788950886237 | etot = -8.13378366707369 -273000 ekin = 1.50368133069818 | erot = 1.68992546991268 | epot = -11.3273904679252 | etot = -8.13378366731432 -274000 ekin = 1.54639996325692 | erot = 1.68983337628906 | epot = -11.370017006958 | etot = -8.13378366741207 -275000 ekin = 1.57877490148782 | erot = 1.69332235277359 | epot = -11.405880921593 | etot = -8.13378366733158 -276000 ekin = 1.60168052283352 | erot = 1.70138855155485 | epot = -11.4368527414861 | etot = -8.1337836670977 -277000 ekin = 1.61832490283022 | erot = 1.71502642603267 | epot = -11.4671349956655 | etot = -8.13378366680262 -278000 ekin = 1.63311060675218 | erot = 1.73495415768089 | epot = -11.501848431012 | etot = -8.1337836665789 -279000 ekin = 1.64995273994814 | erot = 1.76130541527939 | epot = -11.5450418217722 | etot = -8.1337836665447 -280000 ekin = 1.67073877093319 | erot = 1.79339849893235 | epot = -11.5979209366104 | etot = -8.1337836667449 -281000 ekin = 1.69438407984855 | erot = 1.82970064438583 | epot = -11.6578683914556 | etot = -8.13378366722118 -282000 ekin = 1.71376506080659 | erot = 1.86795891950317 | epot = -11.7155076481287 | etot = -8.13378366781891 -283000 ekin = 1.72224450525134 | erot = 1.90529068548182 | epot = -11.7613188590736 | etot = -8.13378366834043 -284000 ekin = 1.71505262177091 | erot = 1.93881515489562 | epot = -11.7876514453522 | etot = -8.13378366868565 -285000 ekin = 1.68954869056389 | erot = 1.96608819497543 | epot = -11.7894205543611 | etot = -8.1337836688218 -286000 ekin = 1.6455513774762 | erot = 1.98537597121296 | epot = -11.7647110174623 | etot = -8.13378366877313 -287000 ekin = 1.58495470813084 | erot = 1.99578989882447 | epot = -11.7145282755466 | etot = -8.13378366859128 -288000 ekin = 1.51101761585498 | erot = 1.997297767928 | epot = -11.6420990521125 | etot = -8.13378366832957 -289000 ekin = 1.42766231980924 | erot = 1.99063899576454 | epot = -11.5520849836069 | etot = -8.13378366803313 -290000 ekin = 1.33894501486224 | erot = 1.97716758999151 | epot = -11.4498962725851 | etot = -8.13378366773135 -291000 ekin = 1.24881721188078 | erot = 1.95864649302987 | epot = -11.3412473723324 | etot = -8.1337836674218 -292000 ekin = 1.16137515575752 | erot = 1.9370295819175 | epot = -11.2321884047302 | etot = -8.13378366705515 -293000 ekin = 1.08169833470813 | erot = 1.91427738455251 | epot = -11.1297593858174 | etot = -8.13378366655679 -294000 ekin = 1.01689863826428 | erot = 1.89223243581134 | epot = -11.0429147399724 | etot = -8.13378366589681 -295000 ekin = 0.976377352950436 | erot = 1.87253324956362 | epot = -10.9826942676921 | etot = -8.13378366517802 -296000 ekin = 0.970182395978853 | erot = 1.85650679550316 | epot = -10.9604728561383 | etot = -8.13378366465628 -297000 ekin = 1.00537151816994 | erot = 1.84499118418623 | epot = -10.9841463669816 | etot = -8.1337836646254 -298000 ekin = 1.08200534146755 | erot = 1.83812417715671 | epot = -11.0539131838581 | etot = -8.13378366523386 -299000 ekin = 1.19125189129762 | erot = 1.83519410294265 | epot = -11.1602296606164 | etot = -8.13378366637616 -300000 ekin = 1.31698721061339 | erot = 1.83465168975443 | epot = -11.2854225681148 | etot = -8.13378366774697 -301000 ekin = 1.44008784809306 | erot = 1.83433803115556 | epot = -11.4082095482411 | etot = -8.13378366899252 -302000 ekin = 1.54329548540286 | erot = 1.83190000196868 | epot = -11.5089791572108 | etot = -8.13378366983924 -303000 ekin = 1.61484992407284 | erot = 1.82529439832888 | epot = -11.5739279925558 | etot = -8.13378367015409 -304000 ekin = 1.65011047810433 | erot = 1.81324433416773 | epot = -11.5971384822047 | etot = -8.13378366993262 -305000 ekin = 1.65140814366736 | erot = 1.79549497030326 | epot = -11.5806867832608 | etot = -8.13378366929013 -306000 ekin = 1.62643416627377 | erot = 1.77280218913901 | epot = -11.533020023822 | etot = -8.13378366840924 -307000 ekin = 1.58577500467182 | erot = 1.74668500708233 | epot = -11.4662436792488 | etot = -8.13378366749463 -308000 ekin = 1.54030424866681 | erot = 1.71903801624656 | epot = -11.3931259316282 | etot = -8.13378366671483 -309000 ekin = 1.49900091050482 | erot = 1.69173690591874 | epot = -11.3245214826124 | etot = -8.13378366618884 -310000 ekin = 1.46747597212437 | erot = 1.66636932779528 | epot = -11.2676289658614 | etot = -8.13378366594171 -311000 ekin = 1.44771419446156 | erot = 1.6441044887676 | epot = -11.2256023491818 | etot = -8.13378366595262 -312000 ekin = 1.43839141863275 | erot = 1.62568199896143 | epot = -11.1978570837366 | etot = -8.13378366614239 -313000 ekin = 1.43594352565088 | erot = 1.61150443049421 | epot = -11.1812316225552 | etot = -8.1337836664101 -314000 ekin = 1.43595255617279 | erot = 1.60177116104702 | epot = -11.1715073838761 | etot = -8.13378366665631 -315000 ekin = 1.43500742740862 | erot = 1.59648896098777 | epot = -11.1652800551048 | etot = -8.13378366670845 -316000 ekin = 1.43108473245696 | erot = 1.59565804393669 | epot = -11.1605264431174 | etot = -8.13378366672371 -317000 ekin = 1.42390336283974 | erot = 1.59957952106222 | epot = -11.1572665504315 | etot = -8.13378366652955 -318000 ekin = 1.41631295378698 | erot = 1.60866819207144 | epot = -11.1587648120198 | etot = -8.13378366616138 -319000 ekin = 1.41381426232924 | erot = 1.62334142232199 | epot = -11.1709393503737 | etot = -8.13378366572251 -320000 ekin = 1.42315030252084 | erot = 1.64384116840171 | epot = -11.2007751362867 | etot = -8.13378366536418 -321000 ekin = 1.45024845494019 | erot = 1.67003325939975 | epot = -11.254065379577 | etot = -8.13378366523704 -322000 ekin = 1.49815500536719 | erot = 1.70123818171236 | epot = -11.3331768525215 | etot = -8.13378366544195 -323000 ekin = 1.5656935250191 | erot = 1.73609284126415 | epot = -11.4355700322998 | etot = -8.13378366601658 -324000 ekin = 1.64679224021207 | erot = 1.77264010659864 | epot = -11.5532160138045 | etot = -8.13378366699375 -325000 ekin = 1.73163775630944 | erot = 1.80818795205414 | epot = -11.6736093764064 | etot = -8.13378366804283 -326000 ekin = 1.80750329208306 | erot = 1.83980749295526 | epot = -11.7810944543854 | etot = -8.13378366934709 -327000 ekin = 1.85797659456583 | erot = 1.86537346541973 | epot = -11.8571337303115 | etot = -8.13378367032595 -328000 ekin = 1.87027520748892 | erot = 1.88392315073226 | epot = -11.8879820288801 | etot = -8.13378367065894 -329000 ekin = 1.83949589054753 | erot = 1.89597309718836 | epot = -11.8692526579141 | etot = -8.13378367017824 -330000 ekin = 1.77117100868916 | erot = 1.90323589019464 | epot = -11.8081905678794 | etot = -8.13378366899564 -331000 ekin = 1.68023517873261 | erot = 1.90771959425499 | epot = -11.7217384405322 | etot = -8.13378366754461 -332000 ekin = 1.58599656571375 | erot = 1.91066851347188 | epot = -11.6304487455355 | etot = -8.13378366634985 -333000 ekin = 1.50566649891541 | erot = 1.91203797343775 | epot = -11.5514881380513 | etot = -8.13378366569817 -334000 ekin = 1.44997196058942 | erot = 1.91073772769977 | epot = -11.4944933538496 | etot = -8.13378366556045 -335000 ekin = 1.42175053140811 | erot = 1.90515605629062 | epot = -11.4606902539324 | etot = -8.13378366623365 -336000 ekin = 1.41662531058447 | erot = 1.89330033651394 | epot = -11.443709313723 | etot = -8.13378366662462 -337000 ekin = 1.42902342419931 | erot = 1.87459660541457 | epot = -11.4374036965604 | etot = -8.13378366694656 -338000 ekin = 1.45347553474132 | erot = 1.84924982279079 | epot = -11.436509024704 | etot = -8.13378366717192 -339000 ekin = 1.48532648332251 | erot = 1.81789825388619 | epot = -11.437008404542 | etot = -8.13378366733331 -340000 ekin = 1.52068113212483 | erot = 1.7813105429029 | epot = -11.4357753425016 | etot = -8.13378366747389 -341000 ekin = 1.55606070128828 | erot = 1.74019406298435 | epot = -11.4300384318866 | etot = -8.13378366761401 -342000 ekin = 1.58819693536375 | erot = 1.69515176482855 | epot = -11.4171323679322 | etot = -8.13378366773992 -343000 ekin = 1.61415529814652 | erot = 1.64675903935083 | epot = -11.3946980053116 | etot = -8.13378366781428 -344000 ekin = 1.63171879307199 | erot = 1.5956931979438 | epot = -11.3611956588164 | etot = -8.13378366780064 -345000 ekin = 1.63976605961451 | erot = 1.54282704209179 | epot = -11.3163767694008 | etot = -8.13378366769452 -346000 ekin = 1.63837200138269 | erot = 1.48918714016891 | epot = -11.261342809072 | etot = -8.13378366752041 -347000 ekin = 1.62852754177371 | erot = 1.43587351565002 | epot = -11.1981847247542 | etot = -8.13378366733049 -348000 ekin = 1.61158889283558 | erot = 1.383925469405 | epot = -11.1292980294128 | etot = -8.1337836671722 -349000 ekin = 1.5887355743944 | erot = 1.33422850520572 | epot = -11.0567477466733 | etot = -8.13378366707318 -350000 ekin = 1.56064786721382 | erot = 1.28749851959908 | epot = -10.9819300538446 | etot = -8.13378366703172 -351000 ekin = 1.5275419119129 | erot = 1.24434620359442 | epot = -10.9056717825208 | etot = -8.13378366701344 -352000 ekin = 1.48960299203902 | erot = 1.20538641998081 | epot = -10.8287730789796 | etot = -8.13378366695982 -353000 ekin = 1.44778264502937 | erot = 1.17134399709156 | epot = -10.7529103089083 | etot = -8.13378366678739 -354000 ekin = 1.40533100953332 | erot = 1.1432484492258 | epot = -10.6823631252447 | etot = -8.13378366648562 -355000 ekin = 1.36869095863465 | erot = 1.1225024206929 | epot = -10.624977045382 | etot = -8.13378366605446 -356000 ekin = 1.34490175995569 | erot = 1.10992990778131 | epot = -10.5886153331834 | etot = -8.13378366544639 -357000 ekin = 1.34315796276069 | erot = 1.10621719879611 | epot = -10.5831588263828 | etot = -8.13378366482595 -358000 ekin = 1.37283801207955 | erot = 1.11171347587719 | epot = -10.6183351524124 | etot = -8.13378366445567 -359000 ekin = 1.43996759058378 | erot = 1.12612871057391 | epot = -10.6998799657445 | etot = -8.13378366458682 -360000 ekin = 1.5438844591409 | erot = 1.14830381564085 | epot = -10.8259719400993 | etot = -8.13378366531752 -361000 ekin = 1.6758653150916 | erot = 1.1761890541914 | epot = -10.9858380358532 | etot = -8.13378366657025 -362000 ekin = 1.82005627455488 | erot = 1.20703160753363 | epot = -11.1608715500439 | etot = -8.13378366795535 -363000 ekin = 1.9585058393723 | erot = 1.23798141777755 | epot = -11.3302709261634 | etot = -8.13378366901354 -364000 ekin = 2.07580017664351 | erot = 1.26672677095187 | epot = -11.4763106177171 | etot = -8.13378367012168 -365000 ekin = 2.15891662517396 | erot = 1.29173621495671 | epot = -11.584436510601 | etot = -8.13378367047035 -366000 ekin = 2.20238380195759 | erot = 1.31262064914767 | epot = -11.648788121337 | etot = -8.13378367023179 -367000 ekin = 2.20851727275297 | erot = 1.33022857587875 | epot = -11.6725295182418 | etot = -8.13378366961006 -368000 ekin = 2.18513118770515 | erot = 1.34632721320016 | epot = -11.6652420696031 | etot = -8.13378366869782 -369000 ekin = 2.14321144646592 | erot = 1.36315448463329 | epot = -11.6401495989026 | etot = -8.13378366780341 -370000 ekin = 2.0938828241329 | erot = 1.3829685872043 | epot = -11.6106350785139 | etot = -8.13378366717668 -371000 ekin = 2.04539161606643 | erot = 1.40758201280279 | epot = -11.5867572956931 | etot = -8.13378366682384 -372000 ekin = 2.00261126514667 | erot = 1.43827057512733 | epot = -11.5746655069399 | etot = -8.13378366666586 -373000 ekin = 1.96798302472881 | erot = 1.47584503943877 | epot = -11.5776117307477 | etot = -8.13378366658016 -374000 ekin = 1.9427642201498 | erot = 1.52074221163615 | epot = -11.597290098334 | etot = -8.13378366654806 -375000 ekin = 1.92741631545116 | erot = 1.57302624843808 | epot = -11.6342262305069 | etot = -8.13378366661764 -376000 ekin = 1.92110841836679 | erot = 1.63232320681306 | epot = -11.6872152920288 | etot = -8.13378366684891 -377000 ekin = 1.92083197489726 | erot = 1.69770894533778 | epot = -11.7523245875375 | etot = -8.13378366730242 -378000 ekin = 1.92097158012141 | erot = 1.7676305565423 | epot = -11.8223858045367 | etot = -8.13378366787296 -379000 ekin = 1.9143805691691 | erot = 1.83964318712979 | epot = -11.8878074249498 | etot = -8.13378366865087 -380000 ekin = 1.89241520119535 | erot = 1.91106138176889 | epot = -11.937260252322 | etot = -8.13378366935773 -381000 ekin = 1.84711843121381 | erot = 1.97933543814508 | epot = -11.9602375392247 | etot = -8.13378366986585 -382000 ekin = 1.77364821788772 | erot = 2.04210934440012 | epot = -11.9495412323447 | etot = -8.13378367005691 -383000 ekin = 1.67178472399728 | erot = 2.09754562136732 | epot = -11.9031140151878 | etot = -8.13378366982318 -384000 ekin = 1.54709556481459 | erot = 2.14438708234362 | epot = -11.8252663163777 | etot = -8.13378366921949 -385000 ekin = 1.41093432867779 | erot = 2.18184182145105 | epot = -11.7265598182848 | etot = -8.13378366815593 -386000 ekin = 1.27958936994579 | erot = 2.21051340231035 | epot = -11.6238864391451 | etot = -8.13378366688898 -387000 ekin = 1.17137861198561 | erot = 2.23163165239764 | epot = -11.5367939301736 | etot = -8.13378366579032 -388000 ekin = 1.10179780402574 | erot = 2.2463475452751 | epot = -11.4819290145282 | etot = -8.13378366522735 -389000 ekin = 1.07882148968846 | erot = 2.25505587957373 | epot = -11.4676610376626 | etot = -8.13378366840039 -390000 ekin = 1.07051570135838 | erot = 2.26936424220882 | epot = -11.4736636037163 | etot = -8.13378366014913 -391000 ekin = 1.12513305991642 | erot = 2.28557987987656 | epot = -11.5444966077453 | etot = -8.1337836679523 -392000 ekin = 1.21295440172366 | erot = 2.2706367034028 | epot = -11.6173747716316 | etot = -8.13378366650518 -393000 ekin = 1.30924312365442 | erot = 2.24076930893579 | epot = -11.6837960997181 | etot = -8.13378366712787 -394000 ekin = 1.40561895760616 | erot = 2.19794335034461 | epot = -11.737345975341 | etot = -8.13378366739023 -395000 ekin = 1.49662707239319 | erot = 2.14293675801978 | epot = -11.7733474977479 | etot = -8.13378366733488 -396000 ekin = 1.5807772799153 | erot = 2.07761988891138 | epot = -11.7921808358758 | etot = -8.13378366704916 -397000 ekin = 1.65955042581882 | erot = 2.00469837191084 | epot = -11.798032464358 | etot = -8.13378366662836 -398000 ekin = 1.73622447988647 | erot = 1.92743077252919 | epot = -11.7974389185614 | etot = -8.13378366614571 -399000 ekin = 1.81471876942244 | erot = 1.84941455049526 | epot = -11.7979169856369 | etot = -8.13378366571923 -400000 ekin = 1.89831345083278 | erot = 1.77428869309233 | epot = -11.8063858093355 | etot = -8.13378366541043 -401000 ekin = 1.98857882165089 | erot = 1.70555701947636 | epot = -11.8279195064046 | etot = -8.13378366527734 -402000 ekin = 2.08469272454778 | erot = 1.64640053761285 | epot = -11.8648769274935 | etot = -8.13378366533283 -403000 ekin = 2.18333492883602 | erot = 1.59947809827672 | epot = -11.9165966926831 | etot = -8.1337836655704 -404000 ekin = 2.27899469657512 | erot = 1.56671457666659 | epot = -11.9794929390995 | etot = -8.13378366585775 -405000 ekin = 2.36506409046644 | erot = 1.54904572147253 | epot = -12.0478934783876 | etot = -8.1337836664486 -406000 ekin = 2.43306193249797 | erot = 1.54630434412229 | epot = -12.1131499437779 | etot = -8.13378366715766 -407000 ekin = 2.47364186380494 | erot = 1.55689186413063 | epot = -12.1643173959541 | etot = -8.13378366801855 -408000 ekin = 2.47760299472499 | erot = 1.5781064138446 | epot = -12.1894930773328 | etot = -8.13378366876325 -409000 ekin = 2.43822850842607 | erot = 1.60664113475467 | epot = -12.1786533122588 | etot = -8.13378366907809 -410000 ekin = 2.35516301280273 | erot = 1.63934184028366 | epot = -12.1282885218163 | etot = -8.1337836687299 -411000 ekin = 2.23661952277215 | erot = 1.67408087730624 | epot = -12.0444840678237 | etot = -8.13378366774526 -412000 ekin = 2.09851267461913 | erot = 1.71012170017578 | epot = -11.9424180412146 | etot = -8.1337836664197 -413000 ekin = 1.96056484793908 | erot = 1.7477880401112 | epot = -11.8421365532043 | etot = -8.13378366515403 -414000 ekin = 1.84128090481493 | erot = 1.78771082122122 | epot = -11.7627753903064 | etot = -8.13378366427029 -415000 ekin = 1.7539044233613 | erot = 1.83009103154469 | epot = -11.7177791188321 | etot = -8.13378366392606 -416000 ekin = 1.70439570487831 | erot = 1.87425008285661 | epot = -11.7124294518623 | etot = -8.13378366412735 -417000 ekin = 1.69131554252948 | erot = 1.918501478837 | epot = -11.7436006861831 | etot = -8.13378366481665 -418000 ekin = 1.7068949003181 | erot = 1.96025799788764 | epot = -11.8009365639631 | etot = -8.13378366575732 -419000 ekin = 1.73962222230371 | erot = 1.99637255840703 | epot = -11.8697784474997 | etot = -8.13378366678895 -420000 ekin = 1.77669286262483 | erot = 2.02357619714979 | epot = -11.9340527274781 | etot = -8.13378366770344 -421000 ekin = 1.8065782408294 | erot = 2.03903049555701 | epot = -11.9793924047138 | etot = -8.13378366832744 -422000 ekin = 1.82111290085909 | erot = 2.04088419799601 | epot = -11.9957807674282 | etot = -8.13378366857305 -423000 ekin = 1.81648584568676 | erot = 2.02865244729856 | epot = -11.9789219614447 | etot = -8.13378366845938 -424000 ekin = 1.79301691785087 | erot = 2.00326876348606 | epot = -11.9300693494109 | etot = -8.13378366807394 -425000 ekin = 1.75424046968078 | erot = 1.96680784722196 | epot = -11.854831984411 | etot = -8.13378366750822 -426000 ekin = 1.70601392329189 | erot = 1.92202692837053 | epot = -11.7618245184899 | etot = -8.1337836668275 -427000 ekin = 1.65580906012917 | erot = 1.87186985441136 | epot = -11.6614625806787 | etot = -8.13378366613817 -428000 ekin = 1.61207963969401 | erot = 1.81905558542235 | epot = -11.5649188905524 | etot = -8.13378366543605 -429000 ekin = 1.5833999942279 | erot = 1.7657989317176 | epot = -11.4829825908563 | etot = -8.13378366491079 -430000 ekin = 1.57646033947372 | erot = 1.71346152699375 | epot = -11.4237055311687 | etot = -8.13378366470128 -431000 ekin = 1.59418488210765 | erot = 1.66239892772925 | epot = -11.3903674747264 | etot = -8.13378366488948 -432000 ekin = 1.63452809771756 | erot = 1.6120557480409 | epot = -11.3803675111914 | etot = -8.13378366543294 -433000 ekin = 1.69077410977045 | erot = 1.56136635610619 | epot = -11.3859241320172 | etot = -8.13378366614059 -434000 ekin = 1.75368500742851 | erot = 1.50939558466423 | epot = -11.3968642588277 | etot = -8.13378366673501 -435000 ekin = 1.81477188941446 | erot = 1.45598133799928 | epot = -11.4045368944161 | etot = -8.13378366700231 -436000 ekin = 1.86895151228373 | erot = 1.40204530898049 | epot = -11.4047804881002 | etot = -8.13378366683597 -437000 ekin = 1.91551323813672 | erot = 1.34941425923527 | epot = -11.3987111639605 | etot = -8.1337836665885 -438000 ekin = 1.95545357706279 | erot = 1.30011080733717 | epot = -11.3893480508802 | etot = -8.13378366648026 -439000 ekin = 1.98811153075646 | erot = 1.25557284833876 | epot = -11.3774680457415 | etot = -8.13378366664625 -440000 ekin = 2.00986623436097 | erot = 1.2163020416111 | epot = -11.3599519429673 | etot = -8.13378366699526 -441000 ekin = 2.0153035076586 | erot = 1.18202297032889 | epot = -11.3311101452758 | etot = -8.13378366728832 -442000 ekin = 1.99936349679035 | erot = 1.15207873138256 | epot = -11.2852258960272 | etot = -8.13378366785425 -443000 ekin = 1.95696749681663 | erot = 1.12547607064077 | epot = -11.216227234986 | etot = -8.13378366752865 -444000 ekin = 1.89166490098974 | erot = 1.10194461447989 | epot = -11.1273931823301 | etot = -8.13378366686045 -445000 ekin = 1.81328868644751 | erot = 1.08168732032588 | epot = -11.0287596725674 | etot = -8.13378366579406 -446000 ekin = 1.73577899474701 | erot = 1.06505071492863 | epot = -10.934613374722 | etot = -8.13378366504638 -447000 ekin = 1.67093185588831 | erot = 1.05239705126931 | epot = -10.8571125714695 | etot = -8.13378366431192 -448000 ekin = 1.6291185681957 | erot = 1.04409603312635 | epot = -10.8069982651693 | etot = -8.13378366384729 -449000 ekin = 1.61731626297075 | erot = 1.04041489697141 | epot = -10.7915148237036 | etot = -8.1337836637614 -450000 ekin = 1.63711697605715 | erot = 1.04135992229639 | epot = -10.8122605626986 | etot = -8.13378366434503 -451000 ekin = 1.68320258142166 | erot = 1.04620824656513 | epot = -10.8631944930204 | etot = -8.13378366503363 -452000 ekin = 1.74581668011681 | erot = 1.05391169410103 | epot = -10.9335120399974 | etot = -8.13378366577957 -453000 ekin = 1.81457146100472 | erot = 1.06335165863441 | epot = -11.0117067861179 | etot = -8.1337836664788 -454000 ekin = 1.87975957938335 | erot = 1.07317402238505 | epot = -11.0867172689043 | etot = -8.13378366713586 -455000 ekin = 1.93251877587776 | erot = 1.08171623325473 | epot = -11.1480186769427 | etot = -8.1337836678102 -456000 ekin = 1.96415416826711 | erot = 1.08704156958797 | epot = -11.1849794063562 | etot = -8.13378366850113 -457000 ekin = 1.96605348077107 | erot = 1.0872339429417 | epot = -11.1870710927834 | etot = -8.13378366907065 -458000 ekin = 1.93127523761038 | erot = 1.08096076790399 | epot = -11.146019674778 | etot = -8.13378366926365 -459000 ekin = 1.85771594839341 | erot = 1.06809531780711 | epot = -11.0595949350253 | etot = -8.13378366882483 -460000 ekin = 1.75147188083719 | erot = 1.05009293158359 | epot = -10.9353484800662 | etot = -8.13378366764541 -461000 ekin = 1.62834142733938 | erot = 1.02990811326467 | epot = -10.7920332065062 | etot = -8.13378366590216 -462000 ekin = 1.51195360647934 | erot = 1.01153881174451 | epot = -10.6572760812002 | etot = -8.13378366297633 -463000 ekin = 1.43011910143845 | erot = 1.00022578453823 | epot = -10.5641285481517 | etot = -8.13378366217503 -464000 ekin = 1.39582910827496 | erot = 0.998198432077561 | epot = -10.5278112022032 | etot = -8.13378366185073 -465000 ekin = 1.41007554850175 | erot = 1.0059200900327 | epot = -10.5497793012377 | etot = -8.13378366270329 -466000 ekin = 1.46251969360673 | erot = 1.02219738030602 | epot = -10.6185007378636 | etot = -8.13378366395089 -467000 ekin = 1.49627186628377 | erot = 1.05472101821887 | epot = -10.684776548826 | etot = -8.13378366432334 -468000 ekin = 1.51725853676448 | erot = 1.12479885662203 | epot = -10.7758410579224 | etot = -8.1337836645359 -469000 ekin = 1.58140637755478 | erot = 1.16828828958825 | epot = -10.883478331625 | etot = -8.13378366448195 -470000 ekin = 1.60068578299443 | erot = 1.18114141021191 | epot = -10.9156108575561 | etot = -8.13378366434975 -471000 ekin = 1.59076368327275 | erot = 1.18707237247091 | epot = -10.9116197194443 | etot = -8.1337836637006 -472000 ekin = 1.56124060600587 | erot = 1.18572143101271 | epot = -10.880745699812 | etot = -8.13378366279344 -473000 ekin = 1.52502097411989 | erot = 1.17792025681201 | epot = -10.8367248927673 | etot = -8.13378366183537 -474000 ekin = 1.49533177226198 | erot = 1.16544446213558 | epot = -10.794559895353 | etot = -8.13378366095545 -475000 ekin = 1.48386630176111 | erot = 1.15068540215573 | epot = -10.7683353641552 | etot = -8.13378366023836 -476000 ekin = 1.49971334632826 | erot = 1.13623821677978 | epot = -10.7697352228517 | etot = -8.13378365974365 -477000 ekin = 1.54871118769558 | erot = 1.1244843335277 | epot = -10.8069791813352 | etot = -8.13378366011192 -478000 ekin = 1.62953491120423 | erot = 1.11764268903608 | epot = -10.8809612604802 | etot = -8.13378366023986 -479000 ekin = 1.73735741643918 | erot = 1.11700620811327 | epot = -10.9881472852187 | etot = -8.13378366066626 -480000 ekin = 1.86556210288033 | erot = 1.12262064775157 | epot = -11.1219664120646 | etot = -8.13378366143269 -481000 ekin = 2.00121026337205 | erot = 1.13364860021322 | epot = -11.2686425499513 | etot = -8.133783686366 -482000 ekin = 2.04617329758791 | erot = 1.16256926170154 | epot = -11.3425262237766 | etot = -8.13378366448714 -483000 ekin = 2.14335261834806 | erot = 1.21476273130068 | epot = -11.4918990325578 | etot = -8.13378368290904 -484000 ekin = 2.2027099535623 | erot = 1.23147381806936 | epot = -11.5679674446503 | etot = -8.13378367301867 -485000 ekin = 2.20682939440963 | erot = 1.23835798982089 | epot = -11.5789710574828 | etot = -8.13378367325232 -486000 ekin = 2.16589682794253 | erot = 1.24300370551841 | epot = -11.5426842062897 | etot = -8.13378367282871 -487000 ekin = 2.08668888864966 | erot = 1.24625551752124 | epot = -11.4667280780175 | etot = -8.1337836718466 -488000 ekin = 1.98386509125085 | erot = 1.24977318046638 | epot = -11.3674219422406 | etot = -8.13378367052335 -489000 ekin = 1.87707931030754 | erot = 1.25547012773704 | epot = -11.2663331072054 | etot = -8.13378366916079 -490000 ekin = 1.78677596317084 | erot = 1.26490338721995 | epot = -11.1854630185179 | etot = -8.13378366812706 -491000 ekin = 1.72903831214138 | erot = 1.27867004038139 | epot = -11.1414920203219 | etot = -8.13378366779911 -492000 ekin = 1.71039979057821 | erot = 1.29591768107264 | epot = -11.1401011400708 | etot = -8.13378366841992 -493000 ekin = 1.72454317156128 | erot = 1.31423280426762 | epot = -11.1725596457329 | etot = -8.13378366990395 -494000 ekin = 1.75332785015452 | erot = 1.33022406246675 | epot = -11.2173355843439 | etot = -8.13378367172259 -495000 ekin = 1.77349565825588 | erot = 1.34086561473228 | epot = -11.2481449460261 | etot = -8.13378367303795 -496000 ekin = 1.76725059667724 | erot = 1.34512484286663 | epot = -11.2461591126952 | etot = -8.13378367315135 -497000 ekin = 1.7312763798942 | erot = 1.34494708212178 | epot = -11.2100071339786 | etot = -8.1337836719626 -498000 ekin = 1.6785500090819 | erot = 1.34489121264458 | epot = -11.1572248917632 | etot = -8.13378367003671 -499000 ekin = 1.63191747119711 | erot = 1.35056727533229 | epot = -11.1162684147433 | etot = -8.13378366821386 -500000 ekin = 1.61378359990016 | erot = 1.3667636468144 | epot = -11.1143309138658 | etot = -8.1337836671512 -501000 ekin = 1.63758101988153 | erot = 1.39609850676614 | epot = -11.1674631937492 | etot = -8.13378366710158 -502000 ekin = 1.70413807541162 | erot = 1.43847493669148 | epot = -11.2763966800707 | etot = -8.13378366796759 -503000 ekin = 1.80268297747421 | erot = 1.49115460253747 | epot = -11.4276212495037 | etot = -8.13378366949198 -504000 ekin = 1.91419549778944 | erot = 1.54914693963942 | epot = -11.5971261088563 | etot = -8.13378367142744 -505000 ekin = 2.01490443998012 | erot = 1.60576406504308 | epot = -11.7544521785637 | etot = -8.13378367354047 -506000 ekin = 2.07966541471014 | erot = 1.65345439354067 | epot = -11.8669034836903 | etot = -8.13378367543949 -507000 ekin = 2.0870035389711 | erot = 1.68517460629498 | epot = -11.9059618217443 | etot = -8.13378367647819 -508000 ekin = 2.02663352663423 | erot = 1.69625747623648 | epot = -11.8566746789393 | etot = -8.1337836760686 -509000 ekin = 1.90589064134063 | erot = 1.68599529702703 | epot = -11.7256696125548 | etot = -8.13378367418714 -510000 ekin = 1.74959091232253 | erot = 1.6578768825328 | epot = -11.5412514663215 | etot = -8.13378367146617 -511000 ekin = 1.59231955658714 | erot = 1.61826266731548 | epot = -11.3443658926793 | etot = -8.1337836687767 -512000 ekin = 1.4675585606025 | erot = 1.57434662380356 | epot = -11.1756888512879 | etot = -8.13378366688181 -513000 ekin = 1.39839916093078 | erot = 1.53234768377589 | epot = -11.0645305108162 | etot = -8.1337836661095 -514000 ekin = 1.39338903686576 | erot = 1.49706258344478 | epot = -11.024235286466 | etot = -8.13378366615549 -515000 ekin = 1.44495159062055 | erot = 1.47110271002976 | epot = -11.0498379682116 | etot = -8.13378366756126 -516000 ekin = 1.53288312821577 | erot = 1.45357064724467 | epot = -11.1202374448468 | etot = -8.13378366938636 -517000 ekin = 1.63159033312452 | erot = 1.44224294472879 | epot = -11.2076169492315 | etot = -8.13378367137819 -518000 ekin = 1.71409401455657 | erot = 1.4340839943587 | epot = -11.2819616821534 | etot = -8.13378367323809 -519000 ekin = 1.75665192756545 | erot = 1.42579002916916 | epot = -11.3162256317321 | etot = -8.13378367499745 -520000 ekin = 1.7418734594754 | erot = 1.41504839774918 | epot = -11.2907055324296 | etot = -8.13378367520502 -521000 ekin = 1.66871703040513 | erot = 1.40071550595816 | epot = -11.2032162101125 | etot = -8.13378367374925 -522000 ekin = 1.55952182856079 | erot = 1.38339983650052 | epot = -11.0767053362008 | etot = -8.13378367113947 -523000 ekin = 1.45114556551557 | erot = 1.3656830806487 | epot = -10.9506123146215 | etot = -8.13378366845718 -524000 ekin = 1.38091842212804 | erot = 1.35134919390869 | epot = -10.8660512824825 | etot = -8.13378366644579 -525000 ekin = 1.37601425591404 | erot = 1.34456662955946 | epot = -10.8543645508839 | etot = -8.13378366541038 -526000 ekin = 1.44870428485067 | erot = 1.34909740179289 | epot = -10.9315853521545 | etot = -8.13378366551097 -527000 ekin = 1.59459863547139 | erot = 1.36714947552062 | epot = -11.0955317779062 | etot = -8.13378366691416 -528000 ekin = 1.79183405481955 | erot = 1.39841904593302 | epot = -11.3240367701712 | etot = -8.13378366941866 -529000 ekin = 2.00478978697981 | erot = 1.43972835787733 | epot = -11.5783018172282 | etot = -8.13378367237111 -530000 ekin = 2.19333795601797 | erot = 1.48552207657973 | epot = -11.8126437074869 | etot = -8.13378367488922 -531000 ekin = 2.32431476965854 | erot = 1.52928747155543 | epot = -11.9873859175034 | etot = -8.13378367628947 -532000 ekin = 2.37971447238515 | erot = 1.56539257217842 | epot = -12.0788907210183 | etot = -8.13378367645474 -533000 ekin = 2.35771666715934 | erot = 1.59048999440141 | epot = -12.0819903372246 | etot = -8.13378367566386 -534000 ekin = 2.26899715449254 | erot = 1.60407394358798 | epot = -12.0068547722132 | etot = -8.13378367413272 -535000 ekin = 2.13365177459914 | erot = 1.60831072461823 | epot = -11.8757461712403 | etot = -8.13378367202297 -536000 ekin = 1.97886376167499 | erot = 1.60719127867242 | epot = -11.7198387100764 | etot = -8.13378366972895 -537000 ekin = 1.83421887315024 | erot = 1.60523898301454 | epot = -11.5732415239291 | etot = -8.13378366776436 -538000 ekin = 1.72531720892644 | erot = 1.6063251928936 | epot = -11.4654260683311 | etot = -8.13378366651106 -539000 ekin = 1.66856519905571 | erot = 1.6130147293037 | epot = -11.4153635944826 | etot = -8.13378366612323 -540000 ekin = 1.66907056567834 | erot = 1.62662968765102 | epot = -11.4294839194914 | etot = -8.13378366616205 -541000 ekin = 1.72153495927027 | erot = 1.64788745986125 | epot = -11.5032060864798 | etot = -8.13378366734831 -542000 ekin = 1.80903650496826 | erot = 1.6754786968006 | epot = -11.6182988706809 | etot = -8.13378366891207 -543000 ekin = 1.90894616835527 | erot = 1.70734508947704 | epot = -11.7500749283668 | etot = -8.13378367053448 -544000 ekin = 1.99777842839545 | erot = 1.74125357780754 | epot = -11.8728156781218 | etot = -8.13378367191885 -545000 ekin = 2.05546409374589 | erot = 1.77521000036354 | epot = -11.9644577669439 | etot = -8.13378367283447 -546000 ekin = 2.0686759531372 | erot = 1.80779483608995 | epot = -12.010254462383 | etot = -8.13378367315581 -547000 ekin = 2.03267806245649 | erot = 1.83838588998092 | epot = -12.0048476253046 | etot = -8.13378367286718 -548000 ekin = 1.95148731421225 | erot = 1.86718390882578 | epot = -11.9524548951405 | etot = -8.13378367210244 -549000 ekin = 1.8364504233007 | erot = 1.89487456520005 | epot = -11.8651086595368 | etot = -8.13378367103609 -550000 ekin = 1.70373130495423 | erot = 1.92233248820751 | epot = -11.759847463038 | etot = -8.13378366987622 -551000 ekin = 1.57139422781184 | erot = 1.95024291868203 | epot = -11.6554208153043 | etot = -8.13378366881045 -552000 ekin = 1.45663332557803 | erot = 1.97878558863039 | epot = -11.5692025822013 | etot = -8.13378366799288 -553000 ekin = 1.37337409019781 | erot = 2.00744335365785 | epot = -11.514601111401 | etot = -8.13378366754535 -554000 ekin = 1.33029485862609 | erot = 2.03496657145449 | epot = -11.4990450976237 | etot = -8.13378366754314 -555000 ekin = 1.32945359625969 | erot = 2.05953157376214 | epot = -11.5227688380181 | etot = -8.13378366799624 -556000 ekin = 1.36589068757554 | erot = 2.07909837609474 | epot = -11.5787727324803 | etot = -8.13378366881005 -557000 ekin = 1.42857577084349 | erot = 2.09193210847118 | epot = -11.6542915491153 | etot = -8.13378366980064 -558000 ekin = 1.50275359964642 | erot = 2.0971531414025 | epot = -11.7336904117795 | etot = -8.13378367073055 -559000 ekin = 1.5732183090821 | erot = 2.09511862189602 | epot = -11.8021206023728 | etot = -8.13378367139464 -560000 ekin = 1.62740172364156 | erot = 2.08745496893393 | epot = -11.8486403643022 | etot = -8.13378367172671 -561000 ekin = 1.65692416188639 | erot = 2.07666092047554 | epot = -11.8673687541686 | etot = -8.1337836718067 -562000 ekin = 1.65737426356301 | erot = 2.06544534214492 | epot = -11.8566032774398 | etot = -8.13378367173188 -563000 ekin = 1.62727808428054 | erot = 2.05615555038101 | epot = -11.8172173064481 | etot = -8.13378367178653 -564000 ekin = 1.56679933056227 | erot = 2.05047511799567 | epot = -11.7510581199095 | etot = -8.13378367135161 -565000 ekin = 1.48206055329241 | erot = 2.04917576858623 | epot = -11.6650199925243 | etot = -8.13378367064571 -566000 ekin = 1.38423866544633 | erot = 2.05221850150355 | epot = -11.5702408367324 | etot = -8.13378366978251 -567000 ekin = 1.28749391779739 | erot = 2.05873429505507 | epot = -11.4800118818374 | etot = -8.1337836689849 -568000 ekin = 1.20570431103048 | erot = 2.06705692034106 | epot = -11.4065448998275 | etot = -8.13378366845593 -569000 ekin = 1.14918558023023 | erot = 2.07495244466236 | epot = -11.3579216931806 | etot = -8.13378366828806 -570000 ekin = 1.12276449646133 | erot = 2.0800727296248 | epot = -11.3366208945299 | etot = -8.13378366844375 -571000 ekin = 1.12567595872038 | erot = 2.08050218013808 | epot = -11.3399618076578 | etot = -8.13378366879936 -572000 ekin = 1.15294903410684 | erot = 2.07519259345207 | epot = -11.3619252967597 | etot = -8.1337836692008 -573000 ekin = 1.19838854918916 | erot = 2.06451015558718 | epot = -11.3966823740033 | etot = -8.13378366922693 -574000 ekin = 1.25460427389363 | erot = 2.04968889738792 | epot = -11.4380768408067 | etot = -8.13378366952511 -575000 ekin = 1.31454735695641 | erot = 2.03199549862925 | epot = -11.4803265251173 | etot = -8.1337836695316 -576000 ekin = 1.37512583611565 | erot = 2.01319845741347 | epot = -11.5221079628331 | etot = -8.13378366930401 -577000 ekin = 1.43682760503374 | erot = 1.99528982934824 | epot = -11.5659011033457 | etot = -8.13378366896374 -578000 ekin = 1.50235588202076 | erot = 1.98017269182895 | epot = -11.6163122424743 | etot = -8.13378366862455 -579000 ekin = 1.57520818416944 | erot = 1.96938672247359 | epot = -11.6783785750011 | etot = -8.13378366835812 -580000 ekin = 1.65868462493027 | erot = 1.96390249857606 | epot = -11.7563707921455 | etot = -8.13378366863916 -581000 ekin = 1.75247311826583 | erot = 1.964193085348 | epot = -11.8504498724769 | etot = -8.1337836688631 -582000 ekin = 1.85283782857648 | erot = 1.96967477641674 | epot = -11.9562962743711 | etot = -8.13378366937788 -583000 ekin = 1.95429754597291 | erot = 1.97826405495591 | epot = -12.066345271253 | etot = -8.13378367032418 -584000 ekin = 2.04662916571901 | erot = 1.98631443704582 | epot = -12.1667272745352 | etot = -8.13378367177041 -585000 ekin = 2.11419694671166 | erot = 1.98862566442593 | epot = -12.2366062846758 | etot = -8.13378367353824 -586000 ekin = 2.13871236987807 | erot = 1.97915340581891 | epot = -12.2516494507778 | etot = -8.13378367508081 -587000 ekin = 2.10465783247187 | erot = 1.95256271523672 | epot = -12.1910042235991 | etot = -8.13378367589049 -588000 ekin = 2.00543191748367 | erot = 1.90599988278188 | epot = -12.0452154755429 | etot = -8.13378367527739 -589000 ekin = 1.85115446103193 | erot = 1.84021509336813 | epot = -11.8251532276766 | etot = -8.13378367327653 -590000 ekin = 1.66921622806881 | erot = 1.7593335110468 | epot = -11.5623334095075 | etot = -8.13378367039186 -591000 ekin = 1.4977485483699 | erot = 1.66961531493353 | epot = -11.301147530791 | etot = -8.13378366748759 -592000 ekin = 1.3741820859932 | erot = 1.57786762200031 | epot = -11.0858333735134 | etot = -8.13378366551992 -593000 ekin = 1.32230765433201 | erot = 1.49017042368006 | epot = -10.9462617430894 | etot = -8.13378366507729 -594000 ekin = 1.34433584581037 | erot = 1.41110289037398 | epot = -10.8892224022201 | etot = -8.13378366603572 -595000 ekin = 1.42313762141316 | erot = 1.34352894995369 | epot = -10.9004502389494 | etot = -8.13378366758259 -596000 ekin = 1.53140640357297 | erot = 1.2890571416378 | epot = -10.954247214935 | etot = -8.13378366972426 -597000 ekin = 1.63793776665428 | erot = 1.24822708399061 | epot = -11.0199485217856 | etot = -8.13378367114073 -598000 ekin = 1.71853369497769 | erot = 1.2204230558525 | epot = -11.0727404229811 | etot = -8.13378367215094 -599000 ekin = 1.75676579673027 | erot = 1.20417119499066 | epot = -11.0947206644564 | etot = -8.1337836727355 -600000 ekin = 1.74415562351976 | erot = 1.19748501258577 | epot = -11.0754243089205 | etot = -8.13378367281501 -601000 ekin = 1.68078686628586 | erot = 1.19842786468434 | epot = -11.0129984032571 | etot = -8.13378367228694 -602000 ekin = 1.57592768465231 | erot = 1.20571835984157 | epot = -10.9154297156343 | etot = -8.13378367114043 -603000 ekin = 1.44736021988517 | erot = 1.21906556666636 | epot = -10.8002094561225 | etot = -8.13378366957098 -604000 ekin = 1.31829530123861 | erot = 1.23900632721026 | epot = -10.6910852964334 | etot = -8.13378366798455 -605000 ekin = 1.21203583246857 | erot = 1.26625018196504 | epot = -10.6120696811956 | etot = -8.13378366676199 -606000 ekin = 1.14717881943141 | erot = 1.30114918573908 | epot = -10.5821116711541 | etot = -8.13378366598363 -607000 ekin = 1.13493137969479 | erot = 1.34344256501772 | epot = -10.6121576106247 | etot = -8.13378366591218 -608000 ekin = 1.17769398074636 | erot = 1.39211398656162 | epot = -10.7035916336137 | etot = -8.13378366630573 -609000 ekin = 1.27083042497278 | erot = 1.44572829443333 | epot = -10.8503423864876 | etot = -8.13378366708152 -610000 ekin = 1.40359308953523 | erot = 1.50241692808371 | epot = -11.0397936861299 | etot = -8.13378366851095 -611000 ekin = 1.55996607947085 | erot = 1.55982171139623 | epot = -11.253571460636 | etot = -8.13378366976893 -612000 ekin = 1.72323074885771 | erot = 1.61567444068065 | epot = -11.4726888606333 | etot = -8.13378367109498 -613000 ekin = 1.87623356286519 | erot = 1.6673223462411 | epot = -11.6773395814989 | etot = -8.13378367239258 -614000 ekin = 2.00332542687796 | erot = 1.7118578677057 | epot = -11.848966967905 | etot = -8.13378367332138 -615000 ekin = 2.0938447106915 | erot = 1.74706892485491 | epot = -11.9746973091449 | etot = -8.13378367359853 -616000 ekin = 2.14582652012112 | erot = 1.77208418550434 | epot = -12.051694378647 | etot = -8.13378367302157 -617000 ekin = 2.16764032551907 | erot = 1.787864761544 | epot = -12.0892887588653 | etot = -8.13378367180225 -618000 ekin = 2.17543321836212 | erot = 1.79702594193842 | epot = -12.1062428306546 | etot = -8.1337836703541 -619000 ekin = 2.1876501512488 | erot = 1.8030963157551 | epot = -12.124530136227 | etot = -8.13378366922312 -620000 ekin = 2.21827388575881 | erot = 1.80941579610169 | epot = -12.1614733506214 | etot = -8.13378366876093 -621000 ekin = 2.27256724286288 | erot = 1.81817906105508 | epot = -12.2245299729512 | etot = -8.13378366903325 -622000 ekin = 2.34686215368936 | erot = 1.82980019933667 | epot = -12.3104460229147 | etot = -8.13378366988869 -623000 ekin = 2.4307948396215 | erot = 1.84272954678992 | epot = -12.4073080575094 | etot = -8.13378367109801 -624000 ekin = 2.51074859399526 | erot = 1.85365912854803 | epot = -12.4981913948869 | etot = -8.1337836723436 -625000 ekin = 2.57376014758728 | erot = 1.85839628629478 | epot = -12.5659401070749 | etot = -8.13378367319283 -626000 ekin = 2.61178608744766 | erot = 1.85335246050013 | epot = -12.5989222212804 | etot = -8.13378367333261 -627000 ekin = 2.6243966691599 | erot = 1.83675929860226 | epot = -12.5949396406032 | etot = -8.13378367284104 -628000 ekin = 2.61715143116715 | erot = 1.80883297814718 | epot = -12.5597680815357 | etot = -8.1337836722214 -629000 ekin = 2.59614002780091 | erot = 1.77076928021921 | epot = -12.5006929799575 | etot = -8.1337836719374 -630000 ekin = 2.56316564608668 | erot = 1.723688622724 | epot = -12.4206379408549 | etot = -8.13378367204425 -631000 ekin = 2.51545670840082 | erot = 1.66841938704622 | epot = -12.3176597676969 | etot = -8.13378367224985 -632000 ekin = 2.4489810628424 | erot = 1.60594586085273 | epot = -12.1887105959476 | etot = -8.13378367225249 -633000 ekin = 2.36287257797967 | erot = 1.53782426737418 | epot = -12.0344805167116 | etot = -8.1337836713577 -634000 ekin = 2.26405242524487 | erot = 1.46623278030137 | epot = -11.8640688761309 | etot = -8.13378367058465 -635000 ekin = 2.16101755721023 | erot = 1.39475566087719 | epot = -11.6895568877986 | etot = -8.13378366971122 -636000 ekin = 2.06475253332371 | erot = 1.32686506233873 | epot = -11.5254012642579 | etot = -8.13378366859544 -637000 ekin = 1.98973271037489 | erot = 1.26596624428898 | epot = -11.3894826221215 | etot = -8.1337836674576 -638000 ekin = 1.95146778322825 | erot = 1.21514985243662 | epot = -11.3004013022987 | etot = -8.13378366663381 -639000 ekin = 1.96182069136293 | erot = 1.17695161175979 | epot = -11.272555969308 | etot = -8.13378366618532 -640000 ekin = 2.02679898932639 | erot = 1.15239183903012 | epot = -11.3129744949322 | etot = -8.13378366657568 -641000 ekin = 2.14199910312227 | erot = 1.14071086556531 | epot = -11.4164936363349 | etot = -8.13378366764727 -642000 ekin = 2.29285046318152 | erot = 1.13915186811449 | epot = -11.5657860007545 | etot = -8.13378366945849 -643000 ekin = 2.45552552112392 | erot = 1.14338828233112 | epot = -11.7326974750702 | etot = -8.13378367161514 -644000 ekin = 2.60133752583305 | erot = 1.14835367490429 | epot = -11.8834748743272 | etot = -8.1337836735899 -645000 ekin = 2.70371430392415 | erot = 1.14938437136379 | epot = -11.9868823501667 | etot = -8.1337836748788 -646000 ekin = 2.744636075582 | erot = 1.14332224209664 | epot = -12.0217419928935 | etot = -8.13378367521483 -647000 ekin = 2.71817787236065 | erot = 1.12915792946784 | epot = -11.9811194764621 | etot = -8.13378367463366 -648000 ekin = 2.63028246065005 | erot = 1.10798613625818 | epot = -11.872052270303 | etot = -8.13378367339473 -649000 ekin = 2.49559189346646 | erot = 1.08245328244387 | epot = -11.7118288477749 | etot = -8.13378367186454 -650000 ekin = 2.33293161554164 | erot = 1.05592857135036 | epot = -11.5226438572628 | etot = -8.13378367037085 -651000 ekin = 2.16312160403298 | erot = 1.03179243268154 | epot = -11.3286977053646 | etot = -8.13378366865011 -652000 ekin = 2.00437764472146 | erot = 1.01263346474868 | epot = -11.1507947776017 | etot = -8.13378366813157 -653000 ekin = 1.86320148187803 | erot = 0.999771298662386 | epot = -10.9967564484983 | etot = -8.13378366795787 -654000 ekin = 1.74159938814689 | erot = 0.993638993393247 | epot = -10.8690220495596 | etot = -8.13378366801952 -655000 ekin = 1.63877614369039 | erot = 0.99396111060154 | epot = -10.7665209224779 | etot = -8.13378366818596 -656000 ekin = 1.55293696393068 | erot = 0.999977751464522 | epot = -10.6866983837236 | etot = -8.1337836683284 -657000 ekin = 1.4830110556397 | erot = 1.01069155837519 | epot = -10.6274862823631 | etot = -8.13378366834819 -658000 ekin = 1.42991653831793 | erot = 1.02511295990871 | epot = -10.5888131664256 | etot = -8.13378366819894 -659000 ekin = 1.39703562132026 | erot = 1.04246417552511 | epot = -10.5732834647551 | etot = -8.13378366790973 -660000 ekin = 1.38964145709929 | erot = 1.06228082947049 | epot = -10.5857059541379 | etot = -8.13378366756814 -661000 ekin = 1.41337783438477 | erot = 1.08434723256929 | epot = -10.6315087343526 | etot = -8.13378366739853 -662000 ekin = 1.47169034616437 | erot = 1.10850483082505 | epot = -10.7139788445443 | etot = -8.13378366755489 -663000 ekin = 1.56097330111961 | erot = 1.13389735843563 | epot = -10.828654328347 | etot = -8.13378366879182 -664000 ekin = 1.66624490138187 | erot = 1.15850228666744 | epot = -10.9585308577766 | etot = -8.13378366972733 -665000 ekin = 1.77303863682182 | erot = 1.18152952432618 | epot = -11.0883518319651 | etot = -8.13378367081709 -666000 ekin = 1.86640057268967 | erot = 1.20258304574751 | epot = -11.2027672900294 | etot = -8.13378367159224 -667000 ekin = 1.93466412848224 | erot = 1.22193419207504 | epot = -11.2903819923641 | etot = -8.13378367180684 -668000 ekin = 1.97306030167035 | erot = 1.24062017116845 | epot = -11.3474641442683 | etot = -8.13378367142951 -669000 ekin = 1.98443783023637 | erot = 1.26004202124033 | epot = -11.378263522163 | etot = -8.13378367068634 -670000 ekin = 1.9765286197099 | erot = 1.28134194904741 | epot = -11.3916542389414 | etot = -8.13378367018408 -671000 ekin = 1.9564957951922 | erot = 1.30490078083266 | epot = -11.3951802458008 | etot = -8.13378366977592 -672000 ekin = 1.92875532537167 | erot = 1.33065660863054 | epot = -11.393195603566 | etot = -8.13378366956377 -673000 ekin = 1.89553670247147 | erot = 1.35854540535517 | epot = -11.3878657772974 | etot = -8.13378366947073 -674000 ekin = 1.85764904382712 | erot = 1.38884570045576 | epot = -11.3802784136313 | etot = -8.13378366934839 -675000 ekin = 1.81704545026849 | erot = 1.42228413605197 | epot = -11.3731132555849 | etot = -8.13378366926441 -676000 ekin = 1.7750503131025 | erot = 1.45971003523414 | epot = -11.3685440174361 | etot = -8.13378366909944 -677000 ekin = 1.73347451743517 | erot = 1.50191216833304 | epot = -11.3691703547236 | etot = -8.13378366895543 -678000 ekin = 1.69449339360511 | erot = 1.54922606358681 | epot = -11.3775031261123 | etot = -8.13378366892035 -679000 ekin = 1.65969071094794 | erot = 1.60118456838311 | epot = -11.3946589483665 | etot = -8.13378366903543 -680000 ekin = 1.62957005382932 | erot = 1.65634116858653 | epot = -11.4196948917059 | etot = -8.13378366929006 -681000 ekin = 1.60362252577982 | erot = 1.71228358652976 | epot = -11.4496897819403 | etot = -8.13378366963076 -682000 ekin = 1.58083074253738 | erot = 1.7658282644008 | epot = -11.4804426769224 | etot = -8.13378366998426 -683000 ekin = 1.56032431136392 | erot = 1.8133847914997 | epot = -11.5074927731469 | etot = -8.13378367028329 -684000 ekin = 1.54183455725445 | erot = 1.85142632174186 | epot = -11.5270445498266 | etot = -8.13378367083033 -685000 ekin = 1.52410759949766 | erot = 1.87642082988534 | epot = -11.5343121005203 | etot = -8.13378367113729 -686000 ekin = 1.50494379430242 | erot = 1.88570070119914 | epot = -11.5244281669065 | etot = -8.13378367140491 -687000 ekin = 1.48208036602769 | erot = 1.87831367884654 | epot = -11.4941777164845 | etot = -8.13378367161027 -688000 ekin = 1.45289287171996 | erot = 1.85497856866512 | epot = -11.4416551120323 | etot = -8.13378367164724 -689000 ekin = 1.41601907826432 | erot = 1.8181143734901 | epot = -11.3679171230975 | etot = -8.1337836713431 -690000 ekin = 1.37394775598182 | erot = 1.77166312492028 | epot = -11.2793945514636 | etot = -8.13378367056153 -691000 ekin = 1.33508615019417 | erot = 1.72071496355898 | epot = -11.1895847830891 | etot = -8.13378366933599 -692000 ekin = 1.31344376450669 | erot = 1.67094159749672 | epot = -11.1181690299549 | etot = -8.13378366795151 -693000 ekin = 1.32488046337475 | erot = 1.62783697437785 | epot = -11.0865011046416 | etot = -8.13378366688899 -694000 ekin = 1.38078608497536 | erot = 1.59583179973088 | epot = -11.1104015513359 | etot = -8.13378366662966 -695000 ekin = 1.48192861174078 | erot = 1.57745304982384 | epot = -11.1931653289766 | etot = -8.13378366741196 -696000 ekin = 1.61569966760638 | erot = 1.57278041423419 | epot = -11.3222637509355 | etot = -8.13378366909492 -697000 ekin = 1.75843097203778 | erot = 1.57943520716472 | epot = -11.4716498504213 | etot = -8.13378367121885 -698000 ekin = 1.88185215222092 | erot = 1.59316882058948 | epot = -11.6088046459987 | etot = -8.13378367318828 -699000 ekin = 1.96106579204364 | erot = 1.6089630633681 | epot = -11.7038125298792 | etot = -8.13378367446748 -700000 ekin = 1.98131680913957 | erot = 1.62236339276214 | epot = -11.7374638766332 | etot = -8.13378367473148 -701000 ekin = 1.94164145669884 | erot = 1.6306282568673 | epot = -11.7060533875213 | etot = -8.13378367395514 -702000 ekin = 1.85450233235272 | erot = 1.63328569355592 | epot = -11.6215716983308 | etot = -8.13378367242212 -703000 ekin = 1.7418140490781 | erot = 1.63189519933292 | epot = -11.5074929188567 | etot = -8.13378367044569 -704000 ekin = 1.62890053404882 | erot = 1.6293262484493 | epot = -11.3920104513919 | etot = -8.13378366889381 -705000 ekin = 1.53704055738389 | erot = 1.6282829775182 | epot = -11.299107202664 | etot = -8.13378366776194 -706000 ekin = 1.48137553865796 | erot = 1.63090498235445 | epot = -11.2460641881485 | etot = -8.13378366713611 -707000 ekin = 1.47012654301194 | erot = 1.63856880545727 | epot = -11.2424790154184 | etot = -8.13378366694916 -708000 ekin = 1.50545482973272 | erot = 1.65189802615415 | epot = -11.2911365229591 | etot = -8.1337836670722 -709000 ekin = 1.58434919626737 | erot = 1.67079586465923 | epot = -11.3889287286485 | etot = -8.13378366772192 -710000 ekin = 1.69830399771202 | erot = 1.6942063928158 | epot = -11.5262940590363 | etot = -8.13378366850847 -711000 ekin = 1.83638650826424 | erot = 1.72024670598225 | epot = -11.6904168837644 | etot = -8.13378366951786 -712000 ekin = 1.98510691897145 | erot = 1.74609277613641 | epot = -11.8649833659246 | etot = -8.13378367081678 -713000 ekin = 2.12899307618644 | erot = 1.7680461105034 | epot = -12.0308228587421 | etot = -8.13378367205223 -714000 ekin = 2.25375007879498 | erot = 1.7824326423488 | epot = -12.1699663939697 | etot = -8.13378367282589 -715000 ekin = 2.34975342441665 | erot = 1.78632122215087 | epot = -12.2698583198712 | etot = -8.13378367330363 -716000 ekin = 2.41256025262349 | erot = 1.77808812755726 | epot = -12.3244320533565 | etot = -8.13378367317575 -717000 ekin = 2.444747705476 | erot = 1.75804788175171 | epot = -12.3365792597721 | etot = -8.13378367254438 -718000 ekin = 2.45412216709769 | erot = 1.72831089168567 | epot = -12.3162167308183 | etot = -8.13378367203498 -719000 ekin = 2.44845378811745 | erot = 1.69204638293305 | epot = -12.2742838422258 | etot = -8.13378367117532 -720000 ekin = 2.43656682430699 | erot = 1.653290129109 | epot = -12.2236406239898 | etot = -8.13378367057385 -721000 ekin = 2.42365620512495 | erot = 1.61605001928987 | epot = -12.1734898947957 | etot = -8.13378367038088 -722000 ekin = 2.40904119938158 | erot = 1.58378410659312 | epot = -12.1266089765732 | etot = -8.13378367059853 -723000 ekin = 2.3864714698943 | erot = 1.55915433553323 | epot = -12.0794094764985 | etot = -8.13378367107095 -724000 ekin = 2.34659230996706 | erot = 1.54397640928961 | epot = -12.0243523907976 | etot = -8.13378367154094 -725000 ekin = 2.28077035574305 | erot = 1.53931973020303 | epot = -11.9538737576909 | etot = -8.13378367174481 -726000 ekin = 2.18489434266674 | erot = 1.54571264604936 | epot = -11.8643906602243 | etot = -8.13378367150821 -727000 ekin = 2.06179491770445 | erot = 1.56339646494477 | epot = -11.7589750534567 | etot = -8.13378367080751 -728000 ekin = 1.92142302763715 | erot = 1.59252552388938 | epot = -11.6477322213166 | etot = -8.13378366979011 -729000 ekin = 1.77863161459794 | erot = 1.63318133799263 | epot = -11.5455966213271 | etot = -8.13378366873648 -730000 ekin = 1.64935549787291 | erot = 1.68520345518385 | epot = -11.4683426210401 | etot = -8.13378366798338 -731000 ekin = 1.54617340799689 | erot = 1.74777370763628 | epot = -11.4277307834043 | etot = -8.13378366777111 -732000 ekin = 1.47444012325245 | erot = 1.81876025838851 | epot = -11.4269840497906 | etot = -8.13378366814959 -733000 ekin = 1.43189319813654 | erot = 1.89484027034483 | epot = -11.4605171374844 | etot = -8.13378366900304 -734000 ekin = 1.41017780820787 | erot = 1.9717467742621 | epot = -11.5157082525372 | etot = -8.13378367006727 -735000 ekin = 1.39820849324681 | erot = 2.04483940824086 | epot = -11.5768315724998 | etot = -8.13378367101211 -736000 ekin = 1.38628872342963 | erot = 2.1098536340319 | epot = -11.629926029011 | etot = -8.13378367154951 -737000 ekin = 1.36961596692138 | erot = 2.16355925928473 | epot = -11.666958897757 | etot = -8.13378367155092 -738000 ekin = 1.34981044643678 | erot = 2.20404797657756 | epot = -11.6876420941275 | etot = -8.13378367111314 -739000 ekin = 1.33372653200929 | erot = 2.23055395776276 | epot = -11.6980641602756 | etot = -8.13378367050359 -740000 ekin = 1.3301641929815 | erot = 2.24303198933214 | epot = -11.7069798523032 | etot = -8.13378366998951 -741000 ekin = 1.34641052650463 | erot = 2.2418933687733 | epot = -11.7220875649558 | etot = -8.13378366967791 -742000 ekin = 1.38645577649994 | erot = 2.22809836951193 | epot = -11.7483378155421 | etot = -8.13378366953023 -743000 ekin = 1.45103879195972 | erot = 2.20332817129236 | epot = -11.78815063276 | etot = -8.13378366950794 -744000 ekin = 1.53803120218704 | erot = 2.16985299830389 | epot = -11.8416678701947 | etot = -8.13378366970373 -745000 ekin = 1.64150939164163 | erot = 2.12988595975433 | epot = -11.9051790216537 | etot = -8.13378367025773 -746000 ekin = 1.75074962764797 | erot = 2.084703178296 | epot = -11.9692364772113 | etot = -8.1337836712673 -747000 ekin = 1.84985303111399 | erot = 2.03398729131739 | epot = -12.0176239950727 | etot = -8.13378367264135 -748000 ekin = 1.91944439124215 | erot = 1.97579729236821 | epot = -12.0290253576846 | etot = -8.13378367407423 -749000 ekin = 1.94080211587345 | erot = 1.90728805389936 | epot = -11.9818738448716 | etot = -8.13378367509876 -750000 ekin = 1.90175708676013 | erot = 1.82602227398459 | epot = -11.8615630358879 | etot = -8.13378367514313 -751000 ekin = 1.80442251329281 | erot = 1.73210123664164 | epot = -11.6703074242648 | etot = -8.1337836743303 -752000 ekin = 1.66438096328043 | erot = 1.62791173823168 | epot = -11.4260763737933 | etot = -8.13378367228118 -753000 ekin = 1.50959112394011 | erot = 1.51791168435355 | epot = -11.1612864778764 | etot = -8.13378366958272 -754000 ekin = 1.37530205555393 | erot = 1.40846180207067 | epot = -10.9175475248678 | etot = -8.13378366724317 -755000 ekin = 1.29223158174511 | erot = 1.30628357856271 | epot = -10.7322988261904 | etot = -8.13378366588257 -756000 ekin = 1.27251368864282 | erot = 1.21592403401268 | epot = -10.6222213891157 | etot = -8.13378366646025 -757000 ekin = 1.30634776760893 | erot = 1.13861892039767 | epot = -10.5787503559391 | etot = -8.13378366793255 -758000 ekin = 1.37185376254112 | erot = 1.07351073769267 | epot = -10.5791481697238 | etot = -8.13378366949005 -759000 ekin = 1.44617278830652 | erot = 1.01897341841095 | epot = -10.5989298771961 | etot = -8.13378367047867 -760000 ekin = 1.51270256478521 | erot = 0.973207034201279 | epot = -10.6196932701063 | etot = -8.13378367111983 -761000 ekin = 1.56039612701659 | erot = 0.934439072310183 | epot = -10.6286188703599 | etot = -8.13378367103315 -762000 ekin = 1.58948756763392 | erot = 0.901622731963786 | epot = -10.6248939700571 | etot = -8.13378367045936 -763000 ekin = 1.6081000860162 | erot = 0.874391507873671 | epot = -10.6162752635655 | etot = -8.13378366967559 -764000 ekin = 1.62768531422658 | erot = 0.85268931978755 | epot = -10.6141583029787 | etot = -8.13378366896457 -765000 ekin = 1.65693698084451 | erot = 0.836745239155022 | epot = -10.6274658895786 | etot = -8.13378366957904 -766000 ekin = 1.70304081024591 | erot = 0.827639758108534 | epot = -10.6644642391042 | etot = -8.13378367074981 -767000 ekin = 1.76603010804118 | erot = 0.819745786937045 | epot = -10.719559566307 | etot = -8.13378367132874 -768000 ekin = 1.83976621727053 | erot = 0.813915606764605 | epot = -10.7874654957395 | etot = -8.13378367170441 -769000 ekin = 1.91953928655326 | erot = 0.809315266601798 | epot = -10.8626382251549 | etot = -8.13378367199988 -770000 ekin = 2.00068337351142 | erot = 0.805269377200869 | epot = -10.9397364229424 | etot = -8.13378367223007 -771000 ekin = 2.0793260708754 | erot = 0.801470015544521 | epot = -11.0145797587906 | etot = -8.1337836723707 -772000 ekin = 2.15218258758158 | erot = 0.797728511847476 | epot = -11.0836947720041 | etot = -8.13378367257508 -773000 ekin = 2.215163463711 | erot = 0.793769932168822 | epot = -11.1427170688048 | etot = -8.13378367292501 -774000 ekin = 2.26234547299599 | erot = 0.789120208329084 | epot = -11.1852493547345 | etot = -8.13378367340947 -775000 ekin = 2.2874744000011 | erot = 0.782940858124726 | epot = -11.2041989316363 | etot = -8.13378367351048 -776000 ekin = 2.28487294056893 | erot = 0.774236455836067 | epot = -11.1928930694771 | etot = -8.13378367307206 -777000 ekin = 2.25459623259119 | erot = 0.763986238603041 | epot = -11.1523661447046 | etot = -8.13378367351038 -778000 ekin = 2.19483848049885 | erot = 0.752926118481735 | epot = -11.0815482726377 | etot = -8.13378367365716 -779000 ekin = 2.10207554487688 | erot = 0.741428699342712 | epot = -10.977287917918 | etot = -8.13378367369838 -780000 ekin = 1.97507844669044 | erot = 0.730439747664591 | epot = -10.8393018678568 | etot = -8.13378367350181 -781000 ekin = 1.81624237984421 | erot = 0.720681720728676 | epot = -10.6707077731406 | etot = -8.1337836725677 -782000 ekin = 1.63737679986566 | erot = 0.713965531361904 | epot = -10.4851260026997 | etot = -8.13378367147211 -783000 ekin = 1.45327094387194 | erot = 0.712334775531163 | epot = -10.2993893897495 | etot = -8.13378367034642 -784000 ekin = 1.27931304177932 | erot = 0.717795316544328 | epot = -10.1308920276493 | etot = -8.1337836693256 -785000 ekin = 1.12953341818588 | erot = 0.732133377036545 | epot = -9.99545046375494 | etot = -8.13378366853252 -786000 ekin = 1.01482431807516 | erot = 0.75676028119027 | epot = -9.90536826732165 | etot = -8.13378366805622 -787000 ekin = 0.941643963861821 | erot = 0.792599099777889 | epot = -9.86802673157384 | etot = -8.13378366793413 -788000 ekin = 0.911510796364499 | erot = 0.840020856535235 | epot = -9.88531532103858 | etot = -8.13378366813885 -789000 ekin = 0.921376349366559 | erot = 0.898827357285067 | epot = -9.95398737525229 | etot = -8.13378366860067 -790000 ekin = 0.964654482908816 | erot = 0.968273092073714 | epot = -10.0667112442091 | etot = -8.13378366922659 -791000 ekin = 1.03261133424169 | erot = 1.04710148108381 | epot = -10.2134964852509 | etot = -8.13378366992542 -792000 ekin = 1.11580285054382 | erot = 1.1335694535575 | epot = -10.3831559747086 | etot = -8.13378367060725 -793000 ekin = 1.20528065134038 | erot = 1.22546277764693 | epot = -10.564527100244 | etot = -8.13378367125664 -794000 ekin = 1.29310700795432 | erot = 1.32020213138516 | epot = -10.7470928111702 | etot = -8.13378367183071 -795000 ekin = 1.37238467366043 | erot = 1.41513363975781 | epot = -10.9213019889647 | etot = -8.13378367554646 -796000 ekin = 1.40835913071784 | erot = 1.52971390350303 | epot = -11.0718567048725 | etot = -8.13378367065163 -797000 ekin = 1.45167190325032 | erot = 1.62512604237268 | epot = -11.2105816179767 | etot = -8.13378367235371 -798000 ekin = 1.48145722831594 | erot = 1.70064689495524 | epot = -11.315887795752 | etot = -8.13378367248079 -799000 ekin = 1.49559633326826 | erot = 1.76394329939591 | epot = -11.3933233050887 | etot = -8.13378367242451 -800000 ekin = 1.49744893756744 | erot = 1.81327291257992 | epot = -11.4445055223208 | etot = -8.1337836721734 -801000 ekin = 1.49251279282898 | erot = 1.84780559274824 | epot = -11.474102057282 | etot = -8.13378367170478 -802000 ekin = 1.48820480029175 | erot = 1.86779013866172 | epot = -11.4897786100697 | etot = -8.13378367111621 -803000 ekin = 1.49253566042202 | erot = 1.87451451169702 | epot = -11.5008338427093 | etot = -8.13378367059025 -804000 ekin = 1.51166035431581 | erot = 1.86997050314966 | epot = -11.5154145278029 | etot = -8.1337836703374 -805000 ekin = 1.54725262775303 | erot = 1.85635941634672 | epot = -11.5373957145955 | etot = -8.13378367049578 -806000 ekin = 1.59533620639011 | erot = 1.83572111155612 | epot = -11.564840988593 | etot = -8.13378367064673 -807000 ekin = 1.64925672169128 | erot = 1.81037056530018 | epot = -11.5934109583748 | etot = -8.13378367138333 -808000 ekin = 1.69787116914676 | erot = 1.78132459589074 | epot = -11.6129794371364 | etot = -8.13378367209885 -809000 ekin = 1.73004744232766 | erot = 1.74897468678329 | epot = -11.6128058016954 | etot = -8.1337836725845 -810000 ekin = 1.73831051801208 | erot = 1.71353607858786 | epot = -11.5856302703687 | etot = -8.13378367376877 -811000 ekin = 1.71623548897176 | erot = 1.67428462341833 | epot = -11.5243037859089 | etot = -8.1337836735188 -812000 ekin = 1.66416936451911 | erot = 1.6311516443523 | epot = -11.4291046817249 | etot = -8.1337836728535 -813000 ekin = 1.59176171307477 | erot = 1.58513406243779 | epot = -11.310679447357 | etot = -8.13378367184445 -814000 ekin = 1.51369575692981 | erot = 1.53752063411804 | epot = -11.1850000616811 | etot = -8.13378367063321 -815000 ekin = 1.44735421380952 | erot = 1.48989097525174 | epot = -11.071028858495 | etot = -8.13378366943376 -816000 ekin = 1.40949972398155 | erot = 1.44406671642419 | epot = -10.9873501088976 | etot = -8.13378366849187 -817000 ekin = 1.41268037621161 | erot = 1.40200084694727 | epot = -10.9484648911793 | etot = -8.13378366802041 -818000 ekin = 1.46212175579676 | erot = 1.36558649857796 | epot = -10.9614919225081 | etot = -8.13378366813336 -819000 ekin = 1.55434977585278 | erot = 1.336454660745 | epot = -11.0245881053256 | etot = -8.13378366872777 -820000 ekin = 1.67879137036297 | erot = 1.31590146922143 | epot = -11.1284765091675 | etot = -8.13378366958314 -821000 ekin = 1.82107935884616 | erot = 1.30489182432771 | epot = -11.2597548536193 | etot = -8.13378367044544 -822000 ekin = 1.9529446672913 | erot = 1.31620699209334 | epot = -11.4029353289519 | etot = -8.13378366956727 -823000 ekin = 2.07449183310668 | erot = 1.34466437793314 | epot = -11.5529398817822 | etot = -8.13378367074238 -824000 ekin = 2.19907919113028 | erot = 1.36469015638506 | epot = -11.6975530185003 | etot = -8.13378367098496 -825000 ekin = 2.30563380742784 | erot = 1.39476757368218 | epot = -11.8341850523186 | etot = -8.13378367120861 -826000 ekin = 2.39103700944343 | erot = 1.43354131849664 | epot = -11.9583619997604 | etot = -8.13378367182035 -827000 ekin = 2.44908730441079 | erot = 1.47824975100237 | epot = -12.0611207278221 | etot = -8.13378367240897 -828000 ekin = 2.47400495198267 | erot = 1.52536858867821 | epot = -12.1331572137293 | etot = -8.13378367306841 -829000 ekin = 2.46026919533199 | erot = 1.57083290047245 | epot = -12.1648857694072 | etot = -8.13378367360277 -830000 ekin = 2.40417117554425 | erot = 1.61070673365405 | epot = -12.1486615829917 | etot = -8.13378367379336 -831000 ekin = 2.30626797389012 | erot = 1.64206892762421 | epot = -12.0821205749624 | etot = -8.13378367344809 -832000 ekin = 2.17314973465443 | erot = 1.66378895326424 | epot = -11.970722360519 | etot = -8.13378367260036 -833000 ekin = 2.0166788300711 | erot = 1.67684011585974 | epot = -11.8273026173371 | etot = -8.13378367140623 -834000 ekin = 1.85232718449021 | erot = 1.68370832890753 | epot = -11.6698191834907 | etot = -8.13378367009299 -835000 ekin = 1.6961628249867 | erot = 1.68768571762743 | epot = -11.5176322117046 | etot = -8.13378366909043 -836000 ekin = 1.56059049298033 | erot = 1.69176136007029 | epot = -11.3861355304923 | etot = -8.13378367744166 -837000 ekin = 1.46494691496556 | erot = 1.67922598580687 | epot = -11.2779565658808 | etot = -8.13378366510835 -838000 ekin = 1.41623376459279 | erot = 1.68359587929023 | epot = -11.2336133181403 | etot = -8.13378367425731 -839000 ekin = 1.38164226014501 | erot = 1.69827238735174 | epot = -11.2136983221133 | etot = -8.13378367461659 -840000 ekin = 1.37281419718589 | erot = 1.71791872249748 | epot = -11.2245165947878 | etot = -8.13378367510438 -841000 ekin = 1.38251849199312 | erot = 1.74222357843919 | epot = -11.2585257460257 | etot = -8.1337836755934 -842000 ekin = 1.40440815950989 | erot = 1.77053653194949 | epot = -11.3087283675096 | etot = -8.1337836760502 -843000 ekin = 1.43288889939346 | erot = 1.80208713639206 | epot = -11.36875971227 | etot = -8.13378367648447 -844000 ekin = 1.46337505833392 | erot = 1.83581425241861 | epot = -11.4329729876798 | etot = -8.13378367692722 -845000 ekin = 1.49225138986042 | erot = 1.87011931161695 | epot = -11.4961543788775 | etot = -8.13378367740011 -846000 ekin = 1.51675477488435 | erot = 1.90271354937653 | epot = -11.5532520021354 | etot = -8.13378367787456 -847000 ekin = 1.53514567596946 | erot = 1.93076451186911 | epot = -11.5996938660634 | etot = -8.13378367822481 -848000 ekin = 1.5475881716074 | erot = 1.9514972978589 | epot = -11.632869147723 | etot = -8.1337836782567 -849000 ekin = 1.55740275322743 | erot = 1.9631393326447 | epot = -11.6543257637317 | etot = -8.13378367785955 -850000 ekin = 1.57132389425342 | erot = 1.96572299080043 | epot = -11.6708305622391 | etot = -8.13378367718525 -851000 ekin = 1.59707563447322 | erot = 1.96110149884602 | epot = -11.6919608099609 | etot = -8.13378367664163 -852000 ekin = 1.63865350802047 | erot = 1.95197424600859 | epot = -11.7244114307046 | etot = -8.1337836766755 -853000 ekin = 1.69191652794579 | erot = 1.94037118794228 | epot = -11.76607139336 | etot = -8.13378367747194 -854000 ekin = 1.74370784126291 | erot = 1.92645693876828 | epot = -11.8039484587425 | etot = -8.13378367871129 -855000 ekin = 1.77620146931273 | erot = 1.90847432072674 | epot = -11.818459469993 | etot = -8.13378367995357 -856000 ekin = 1.77433273173135 | erot = 1.88315818040523 | epot = -11.7912745926414 | etot = -8.13378368050482 -857000 ekin = 1.73346273143704 | erot = 1.84735528760624 | epot = -11.7146016990445 | etot = -8.13378368000122 -858000 ekin = 1.66317903320086 | erot = 1.79946643714417 | epot = -11.5964291488827 | etot = -8.13378367853766 -859000 ekin = 1.58513293484139 | erot = 1.74007953892668 | epot = -11.458996150389 | etot = -8.13378367662096 -860000 ekin = 1.52581941755169 | erot = 1.67168470790424 | epot = -11.331287800361 | etot = -8.1337836749051 -861000 ekin = 1.50775028697231 | erot = 1.59782760957668 | epot = -11.2393615704181 | etot = -8.1337836738691 -862000 ekin = 1.54306866341494 | erot = 1.52225954455881 | epot = -11.1991118816238 | etot = -8.13378367365005 -863000 ekin = 1.63171594645684 | erot = 1.4484512777512 | epot = -11.2139508982985 | etot = -8.13378367409045 -864000 ekin = 1.76367870734132 | erot = 1.37946094103656 | epot = -11.2769233232937 | etot = -8.13378367491581 -865000 ekin = 1.92306453000344 | erot = 1.31796433803999 | epot = -11.374812543916 | etot = -8.13378367587256 -866000 ekin = 2.09215456398996 | erot = 1.26628926074898 | epot = -11.4922275013027 | etot = -8.13378367656379 -867000 ekin = 2.25558706658228 | erot = 1.22649711213513 | epot = -11.6158678560148 | etot = -8.13378367729736 -868000 ekin = 2.40057443601768 | erot = 1.20017706609103 | epot = -11.7345351799089 | etot = -8.13378367780019 -869000 ekin = 2.51819395230402 | erot = 1.18842551997292 | epot = -11.8404031503536 | etot = -8.13378367807667 -870000 ekin = 2.60380767640006 | erot = 1.19178595733222 | epot = -11.9293773119552 | etot = -8.13378367822295 -871000 ekin = 2.65597330550025 | erot = 1.2100890019769 | epot = -11.9998459858056 | etot = -8.13378367832845 -872000 ekin = 2.67413391804158 | erot = 1.24223617488104 | epot = -12.0501537716578 | etot = -8.13378367873519 -873000 ekin = 2.65523813357981 | erot = 1.28590823790636 | epot = -12.0749300508519 | etot = -8.13378367936569 -874000 ekin = 2.59426343770237 | erot = 1.33769628220084 | epot = -12.0657433999318 | etot = -8.13378368002863 -875000 ekin = 2.48661885037869 | erot = 1.39359938802698 | epot = -12.0140019187687 | etot = -8.13378368036305 -876000 ekin = 2.3325716344682 | erot = 1.44985984558333 | epot = -11.9162151600516 | etot = -8.13378368000003 -877000 ekin = 2.14151731726319 | erot = 1.50380376851767 | epot = -11.7791047646106 | etot = -8.13378367882977 -878000 ekin = 1.9328320049617 | erot = 1.55419737766281 | epot = -11.6208130598149 | etot = -8.13378367719035 -879000 ekin = 1.7311757375338 | erot = 1.60084517557068 | epot = -11.4658045888545 | etot = -8.13378367575007 -880000 ekin = 1.55787151453529 | erot = 1.64373016650857 | epot = -11.3353853561002 | etot = -8.13378367505636 -881000 ekin = 1.42384142286017 | erot = 1.68244604710334 | epot = -11.2400711450968 | etot = -8.13378367513324 -882000 ekin = 1.32893688630863 | erot = 1.71640874325353 | epot = -11.1791293051203 | etot = -8.13378367555812 -883000 ekin = 1.26714280246917 | erot = 1.74554143071219 | epot = -11.1464679089137 | etot = -8.13378367573232 -884000 ekin = 1.23268823978927 | erot = 1.77071758428828 | epot = -11.1371895000291 | etot = -8.13378367595158 -885000 ekin = 1.22008849612494 | erot = 1.7931216686051 | epot = -11.1469938408411 | etot = -8.13378367611103 -886000 ekin = 1.2253247993799 | erot = 1.81382116066767 | epot = -11.1729296362917 | etot = -8.13378367624409 -887000 ekin = 1.24494548115686 | erot = 1.8333603965884 | epot = -11.2120895542136 | etot = -8.13378367646834 -888000 ekin = 1.27500212875267 | erot = 1.85168867131358 | epot = -11.2604744768214 | etot = -8.13378367675513 -889000 ekin = 1.31152735197782 | erot = 1.86844690158133 | epot = -11.3137579306675 | etot = -8.13378367710839 -890000 ekin = 1.34986317506705 | erot = 1.88304641086648 | epot = -11.366693263463 | etot = -8.13378367752949 -891000 ekin = 1.38390530402723 | erot = 1.89468392941472 | epot = -11.4123729115327 | etot = -8.13378367809074 -892000 ekin = 1.4056939593949 | erot = 1.90226748680413 | epot = -11.4417451252141 | etot = -8.13378367901505 -893000 ekin = 1.40448288905364 | erot = 1.90432470807527 | epot = -11.4425912768364 | etot = -8.13378367970753 -894000 ekin = 1.37144289320793 | erot = 1.89954369080315 | epot = -11.4047702640041 | etot = -8.13378367999306 -895000 ekin = 1.30348485852156 | erot = 1.88750423015747 | epot = -11.3247727648586 | etot = -8.13378367617955 -896000 ekin = 1.22187336955615 | erot = 1.87071061704799 | epot = -11.2263676621213 | etot = -8.13378367551712 -897000 ekin = 1.14754845755141 | erot = 1.85263803873205 | epot = -11.1339701707916 | etot = -8.13378367450818 -898000 ekin = 1.08944016629691 | erot = 1.83653761360572 | epot = -11.0597614538287 | etot = -8.13378367392606 -899000 ekin = 1.05403951151006 | erot = 1.82413022658184 | epot = -11.0119534116858 | etot = -8.13378367359388 -900000 ekin = 1.04500203344446 | erot = 1.81619426344812 | epot = -10.994979970496 | etot = -8.13378367360344 -901000 ekin = 1.06222206934733 | erot = 1.8123440310837 | epot = -11.0083497743595 | etot = -8.13378367392844 -902000 ekin = 1.10209713935283 | erot = 1.81111462916561 | epot = -11.0469954429736 | etot = -8.13378367445512 -903000 ekin = 1.15876030908375 | erot = 1.81037876576567 | epot = -11.1029227498814 | etot = -8.133783675032 -904000 ekin = 1.22532881863849 | erot = 1.80797942318881 | epot = -11.1670919177971 | etot = -8.13378367596983 -905000 ekin = 1.29206809096935 | erot = 1.80250391199268 | epot = -11.2283556794293 | etot = -8.13378367646727 -906000 ekin = 1.35183435815479 | erot = 1.79300035919243 | epot = -11.2786183941064 | etot = -8.13378367675922 -907000 ekin = 1.3997999182264 | erot = 1.77946415971456 | epot = -11.3130477549044 | etot = -8.13378367696348 -908000 ekin = 1.43268044790834 | erot = 1.76253539555357 | epot = -11.3289995204751 | etot = -8.13378367701317 -909000 ekin = 1.44897967363112 | erot = 1.74341748034194 | epot = -11.3261808308616 | etot = -8.13378367688856 -910000 ekin = 1.44937912475448 | erot = 1.72390580409483 | epot = -11.3070686054089 | etot = -8.13378367655958 -911000 ekin = 1.43727653989154 | erot = 1.70617572380865 | epot = -11.2772359397525 | etot = -8.13378367605232 -912000 ekin = 1.41843448636244 | erot = 1.69263823222815 | epot = -11.2448563940395 | etot = -8.13378367544888 -913000 ekin = 1.40006194548143 | erot = 1.68549440970377 | epot = -11.2193400300544 | etot = -8.13378367486918 -914000 ekin = 1.38958826580783 | erot = 1.68634774644355 | epot = -11.2097196867265 | etot = -8.13378367447512 -915000 ekin = 1.39244841973003 | erot = 1.69595180427737 | epot = -11.2221838984246 | etot = -8.13378367441721 -916000 ekin = 1.41015014804868 | erot = 1.71401831960836 | epot = -11.2579521424291 | etot = -8.13378367477205 -917000 ekin = 1.4392962972226 | erot = 1.73916764012751 | epot = -11.3122476128452 | etot = -8.13378367549508 -918000 ekin = 1.47227942866918 | erot = 1.76903078857887 | epot = -11.3750938936502 | etot = -8.13378367640215 -919000 ekin = 1.49986621796558 | erot = 1.80052098861358 | epot = -11.4341708837671 | etot = -8.13378367718791 -920000 ekin = 1.51501277126177 | erot = 1.83027923256497 | epot = -11.47907568142 | etot = -8.13378367759328 -921000 ekin = 1.50567012556585 | erot = 1.85806253127122 | epot = -11.4975163336852 | etot = -8.13378367684813 -922000 ekin = 1.50530570224327 | erot = 1.88405749197312 | epot = -11.5231468708389 | etot = -8.13378367662252 -923000 ekin = 1.51005072191376 | erot = 1.89398296774265 | epot = -11.5378173655129 | etot = -8.13378367585645 -924000 ekin = 1.52928061141758 | erot = 1.89561779711381 | epot = -11.5586820839691 | etot = -8.13378367543768 -925000 ekin = 1.56873673267864 | erot = 1.88910082656719 | epot = -11.5916212349651 | etot = -8.13378367571927 -926000 ekin = 1.62371911818097 | erot = 1.87429650776439 | epot = -11.6317993026299 | etot = -8.13378367668451 -927000 ekin = 1.67952368644808 | erot = 1.85068760938675 | epot = -11.6639949737938 | etot = -8.13378367795893 -928000 ekin = 1.71651231901818 | erot = 1.81783745876575 | epot = -11.6681334568181 | etot = -8.13378367903418 -929000 ekin = 1.71702542960752 | erot = 1.77614095786796 | epot = -11.6269500669844 | etot = -8.13378367950894 -930000 ekin = 1.67099557211838 | erot = 1.7274288922438 | epot = -11.5322081435662 | etot = -8.13378367920398 -931000 ekin = 1.57874461917618 | erot = 1.67513458289526 | epot = -11.3876628802403 | etot = -8.13378367816882 -932000 ekin = 1.4507920768008 | erot = 1.62392798760098 | epot = -11.2085037410289 | etot = -8.13378367662711 -933000 ekin = 1.30531755494448 | erot = 1.57894109498966 | epot = -11.018042324831 | etot = -8.1337836748969 -934000 ekin = 1.16422088167371 | erot = 1.54485802656028 | epot = -10.8428625815313 | etot = -8.13378367329727 -935000 ekin = 1.04864497283229 | erot = 1.52509209112999 | epot = -10.7075207361246 | etot = -8.13378367216232 -936000 ekin = 0.974709276492776 | erot = 1.52116328044459 | epot = -10.6296562286223 | etot = -8.13378367168494 -937000 ekin = 0.950462282016656 | erot = 1.53244919686212 | epot = -10.6166951508385 | etot = -8.13378367195971 -938000 ekin = 0.974421294284288 | erot = 1.55616007219735 | epot = -10.6643650394247 | etot = -8.13378367294306 -939000 ekin = 1.03606886900089 | erot = 1.58755449752601 | epot = -10.7574070409824 | etot = -8.13378367445547 -940000 ekin = 1.1182684113919 | erot = 1.62042989204406 | epot = -10.8724819796331 | etot = -8.13378367619717 -941000 ekin = 1.20122028724958 | erot = 1.64794232232013 | epot = -10.9829462873571 | etot = -8.13378367778742 -942000 ekin = 1.26717763839312 | erot = 1.66371923985981 | epot = -11.0646805571373 | etot = -8.13378367888438 -943000 ekin = 1.30509212601128 | erot = 1.66314531309206 | epot = -11.1020211182277 | etot = -8.13378367912435 -944000 ekin = 1.31392377996911 | erot = 1.64449670956111 | epot = -11.0922041680488 | etot = -8.13378367851861 -945000 ekin = 1.30237464540686 | erot = 1.60929976269543 | epot = -11.0454580854524 | etot = -8.13378367735008 -946000 ekin = 1.28506402585559 | erot = 1.56181036928443 | epot = -10.9806580712548 | etot = -8.13378367611474 -947000 ekin = 1.27634123306472 | erot = 1.50774431584928 | epot = -10.9178692241958 | etot = -8.13378367528185 -948000 ekin = 1.28467886384667 | erot = 1.45281196796929 | epot = -10.8712745068834 | etot = -8.13378367506747 -949000 ekin = 1.31037739966444 | erot = 1.4015724009042 | epot = -10.845733475945 | etot = -8.13378367537636 -950000 ekin = 1.34722619730445 | erot = 1.3568868930793 | epot = -10.8378967663129 | etot = -8.13378367592918 -951000 ekin = 1.38650860378931 | erot = 1.31991932975183 | epot = -10.8402116099744 | etot = -8.13378367643326 -952000 ekin = 1.42144708624314 | erot = 1.29081153328224 | epot = -10.8460422961592 | etot = -8.13378367663378 -953000 ekin = 1.44882630067214 | erot = 1.26905801004898 | epot = -10.8516679874738 | etot = -8.13378367675266 -954000 ekin = 1.46839021307718 | erot = 1.25288009019966 | epot = -10.8550539798531 | etot = -8.13378367657631 -955000 ekin = 1.48389177785595 | erot = 1.24071488980735 | epot = -10.8583903439438 | etot = -8.13378367628045 -956000 ekin = 1.50041047950534 | erot = 1.23152279455205 | epot = -10.8657169501392 | etot = -8.1337836760818 -957000 ekin = 1.52124213092013 | erot = 1.2248104773485 | epot = -10.879836284368 | etot = -8.13378367609941 -958000 ekin = 1.54632228820822 | erot = 1.22051885655829 | epot = -10.9006248210289 | etot = -8.13378367626243 -959000 ekin = 1.57324295712668 | erot = 1.21891909920002 | epot = -10.9259457327015 | etot = -8.13378367637477 -960000 ekin = 1.59969207344602 | erot = 1.22060655525412 | epot = -10.9540823050919 | etot = -8.13378367639174 -961000 ekin = 1.62253441996171 | erot = 1.22677322915566 | epot = -10.9830913253843 | etot = -8.13378367626691 -962000 ekin = 1.64127230147935 | erot = 1.23851880603448 | epot = -11.0135747836412 | etot = -8.13378367612736 -963000 ekin = 1.65616191466682 | erot = 1.25678968602508 | epot = -11.0467352768412 | etot = -8.13378367614927 -964000 ekin = 1.66566514854511 | erot = 1.28218253503938 | epot = -11.0816313598357 | etot = -8.13378367625117 -965000 ekin = 1.66770285430116 | erot = 1.31455464298714 | epot = -11.1160411738658 | etot = -8.13378367657753 -966000 ekin = 1.65810694854125 | erot = 1.35314679644672 | epot = -11.1450374218014 | etot = -8.13378367681348 -967000 ekin = 1.63401913508899 | erot = 1.39653020178946 | epot = -11.1643330138152 | etot = -8.13378367693677 -968000 ekin = 1.59493850092154 | erot = 1.44254096564059 | epot = -11.1712631436315 | etot = -8.13378367706939 -969000 ekin = 1.54116623552017 | erot = 1.48830566532219 | epot = -11.1632555781849 | etot = -8.13378367734257 -970000 ekin = 1.47195250632947 | erot = 1.53048571049902 | epot = -11.1362218945415 | etot = -8.13378367771304 -971000 ekin = 1.38571362597403 | erot = 1.56593199201498 | epot = -11.0854292956026 | etot = -8.13378367761359 -972000 ekin = 1.2844612417634 | erot = 1.5927702433258 | epot = -11.0110151625437 | etot = -8.13378367745447 -973000 ekin = 1.17320808893134 | erot = 1.61049478745248 | epot = -10.9174865530745 | etot = -8.13378367669067 -974000 ekin = 1.063134217545 | erot = 1.62023440891558 | epot = -10.8171523018864 | etot = -8.13378367542583 -975000 ekin = 0.970987628511461 | erot = 1.62445058186299 | epot = -10.729221884475 | etot = -8.13378367410056 -976000 ekin = 0.913517833540499 | erot = 1.62592321100425 | epot = -10.6732247178428 | etot = -8.13378367329807 -977000 ekin = 0.900210296810119 | erot = 1.62660680819932 | epot = -10.6606007783876 | etot = -8.13378367337816 -978000 ekin = 0.928774958127715 | erot = 1.62702792958257 | epot = -10.689586561963 | etot = -8.1337836742527 -979000 ekin = 0.986309688868686 | erot = 1.62661906217909 | epot = -10.7467124264037 | etot = -8.13378367535593 -980000 ekin = 1.05604184520662 | erot = 1.62477777714318 | epot = -10.8146032984793 | etot = -8.13378367612947 -981000 ekin = 1.1246974517273 | erot = 1.62193499902994 | epot = -10.8804161270463 | etot = -8.13378367628903 -982000 ekin = 1.18655422477308 | erot = 1.61989865458109 | epot = -10.9402365552591 | etot = -8.13378367590495 -983000 ekin = 1.2432339331173 | erot = 1.62138932845409 | epot = -10.9984069368238 | etot = -8.13378367525236 -984000 ekin = 1.3007289232663 | erot = 1.62917854668228 | epot = -11.0636911445781 | etot = -8.13378367462955 -985000 ekin = 1.36575798905031 | erot = 1.64530549608379 | epot = -11.1448471593989 | etot = -8.13378367426479 -986000 ekin = 1.44269014496135 | erot = 1.67060135311584 | epot = -11.2470751723821 | etot = -8.13378367430487 -987000 ekin = 1.53139017712842 | erot = 1.70450616306297 | epot = -11.3696800150103 | etot = -8.1337836748189 -988000 ekin = 1.62542516993083 | erot = 1.74490462825212 | epot = -11.5041134740412 | etot = -8.13378367585821 -989000 ekin = 1.70973314356223 | erot = 1.78758053837793 | epot = -11.6310973591265 | etot = -8.13378367718631 -990000 ekin = 1.76834990596683 | erot = 1.82854800940128 | epot = -11.7306815937548 | etot = -8.13378367838671 -991000 ekin = 1.78717585114204 | erot = 1.86445265633072 | epot = -11.7854121865501 | etot = -8.13378367907737 -992000 ekin = 1.75808068877046 | erot = 1.89344947238099 | epot = -11.785313840188 | etot = -8.13378367903651 -993000 ekin = 1.68149922524843 | erot = 1.91587779016308 | epot = -11.7311606936924 | etot = -8.13378367828091 -994000 ekin = 1.56634005404157 | erot = 1.93428820638793 | epot = -11.6344119374165 | etot = -8.13378367698701 -995000 ekin = 1.42807354955332 | erot = 1.95281321310297 | epot = -11.5146704380736 | etot = -8.13378367541727 -996000 ekin = 1.28578074304376 | erot = 1.97614374534339 | epot = -11.3957081622749 | etot = -8.13378367388774 -997000 ekin = 1.15849050556427 | erot = 2.00849321106801 | epot = -11.3007673893125 | etot = -8.1337836726802 -998000 ekin = 1.06172554858003 | erot = 2.05288173951555 | epot = -11.2483909600472 | etot = -8.13378367195161 -999000 ekin = 1.00534863971574 | erot = 2.11083351411326 | epot = -11.2499658255692 | etot = -8.13378367174015 -1000000 ekin = 0.992888354298654 | erot = 2.182321071549 | epot = -11.3089930978744 | etot = -8.13378367202676 - 1000000 0.073547286 -1.1520387 0.021139403 -1.0316105 -4.7686302e-05 64000 -Loop time of 17.4426 on 1 procs for 1000000 steps with 10 atoms - -Performance: 49534.033 tau/day, 57331.057 timesteps/s -99.7% CPU use with 1 MPI tasks x no OpenMP threads - -MPI task timing breakdown: -Section | min time | avg time | max time |%varavg| %total ---------------------------------------------------------------- -Pair | 14.806 | 14.806 | 14.806 | 0.0 | 84.88 -Bond | 0.62301 | 0.62301 | 0.62301 | 0.0 | 3.57 -Neigh | 0.008078 | 0.008078 | 0.008078 | 0.0 | 0.05 -Comm | 0.18244 | 0.18244 | 0.18244 | 0.0 | 1.05 -Output | 0.099253 | 0.099253 | 0.099253 | 0.0 | 0.57 -Modify | 1.4674 | 1.4674 | 1.4674 | 0.0 | 8.41 -Other | | 0.2565 | | | 1.47 - -Nlocal: 10.0000 ave 10 max 10 min -Histogram: 1 0 0 0 0 0 0 0 0 0 -Nghost: 0.00000 ave 0 max 0 min -Histogram: 1 0 0 0 0 0 0 0 0 0 -Neighs: 37.0000 ave 37 max 37 min -Histogram: 1 0 0 0 0 0 0 0 0 0 - -Total # of neighbors = 37 -Ave neighs/atom = 3.7000000 -Ave special neighs/atom = 3.6000000 -Neighbor list builds = 1000 -Dangerous builds = 0 - -write_data last_config.${number}.* nocoeff -write_data last_config.3.* nocoeff -System init for write_data ... -Total wall time: 0:00:17 diff --git a/examples/PACKAGES/cgdna/examples/oxDNA2/duplex3/log.27May21.duplex3.g++.4 b/examples/PACKAGES/cgdna/examples/oxDNA2/duplex3/log.27May21.duplex3.g++.4 deleted file mode 100644 index 6d5e7669bb..0000000000 --- a/examples/PACKAGES/cgdna/examples/oxDNA2/duplex3/log.27May21.duplex3.g++.4 +++ /dev/null @@ -1,1180 +0,0 @@ -LAMMPS (27 May 2021) -variable number equal 3 -variable ofreq equal 1000 -variable efreq equal 1000 -variable T equal 0.1 -variable rhos equal 0.2 - -units lj - -dimension 3 - -newton off - -boundary p p p - -atom_style hybrid bond ellipsoid oxdna -WARNING: Atom style hybrid defines both, per-type and per-atom masses; both must be set, but only per-atom masses will be used (../atom_vec_hybrid.cpp:157) -atom_modify sort 0 1.0 - -# Pair interactions require lists of neighbours to be calculated -neighbor 2.0 bin -neigh_modify every 1 delay 0 check yes - -read_data data.duplex3 -Reading data file ... - orthogonal box = (-20.000000 -20.000000 -20.000000) to (20.000000 20.000000 20.000000) - 1 by 2 by 2 MPI processor grid - reading atoms ... - 10 atoms - reading velocities ... - 10 velocities - scanning bonds ... - 2 = max bonds/atom - 10 ellipsoids - reading bonds ... - 8 bonds -Finding 1-2 1-3 1-4 neighbors ... - special bond factors lj: 0 0 0 - special bond factors coul: 0 0 0 - 2 = max # of 1-2 neighbors - 2 = max # of 1-3 neighbors - 2 = max # of 1-4 neighbors - 4 = max # of special neighbors - special bonds CPU = 0.001 seconds - read_data CPU = 0.005 seconds - -set atom * mass 1.0 -Setting atom values ... - 10 settings made for mass - -group all type 1 4 -10 atoms in group all - -# oxDNA2 bond interactions - FENE backbone -bond_style oxdna2/fene -bond_coeff * 2.0 0.25 0.7564 -special_bonds lj 0 1 1 -Finding 1-2 1-3 1-4 neighbors ... - special bond factors lj: 0 1 1 - special bond factors coul: 0 0 0 - 2 = max # of 1-2 neighbors - 2 = max # of 1-3 neighbors - 2 = max # of 1-4 neighbors - 4 = max # of special neighbors - special bonds CPU = 0.000 seconds - -# oxDNA2 pair interactions -pair_style hybrid/overlay oxdna2/excv oxdna2/stk oxdna2/hbond oxdna2/xstk oxdna2/coaxstk oxdna2/dh -pair_coeff * * oxdna2/excv 2.0 0.7 0.675 2.0 0.515 0.5 2.0 0.33 0.32 -pair_coeff * * oxdna2/stk seqdep ${T} 1.3523 2.6717 6.0 0.4 0.9 0.32 0.75 1.3 0 0.8 0.9 0 0.95 0.9 0 0.95 2.0 0.65 2.0 0.65 -pair_coeff * * oxdna2/stk seqdep 0.1 1.3523 2.6717 6.0 0.4 0.9 0.32 0.75 1.3 0 0.8 0.9 0 0.95 0.9 0 0.95 2.0 0.65 2.0 0.65 -pair_coeff * * oxdna2/hbond seqdep 0.0 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 -pair_coeff 1 4 oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 -pair_coeff 2 3 oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 -pair_coeff * * oxdna2/xstk 47.5 0.575 0.675 0.495 0.655 2.25 0.791592653589793 0.58 1.7 1.0 0.68 1.7 1.0 0.68 1.5 0 0.65 1.7 0.875 0.68 1.7 0.875 0.68 -pair_coeff * * oxdna2/coaxstk 58.5 0.4 0.6 0.22 0.58 2.0 2.891592653589793 0.65 1.3 0 0.8 0.9 0 0.95 0.9 0 0.95 40.0 3.116592653589793 -pair_coeff * * oxdna2/dh ${T} ${rhos} 0.815 -pair_coeff * * oxdna2/dh 0.1 ${rhos} 0.815 -pair_coeff * * oxdna2/dh 0.1 0.2 0.815 - -# NVE ensemble -fix 1 all nve/asphere -#fix 2 all langevin ${T} ${T} 2.5 457145 angmom 10 - -timestep 1e-5 - -#comm_style tiled -fix 3 all balance 1000 1.03 shift xyz 10 1.03 -comm_modify cutoff 3.8 - -compute quat all property/atom quatw quati quatj quatk - -compute erot all erotate/asphere -compute ekin all ke -compute epot all pe -variable erot equal c_erot -variable ekin equal c_ekin -variable epot equal c_epot -variable etot equal c_erot+c_ekin+c_epot -fix 5 all print ${efreq} "$(step) ekin = ${ekin} | erot = ${erot} | epot = ${epot} | etot = ${etot}" screen yes -fix 5 all print 1000 "$(step) ekin = ${ekin} | erot = ${erot} | epot = ${epot} | etot = ${etot}" screen yes - -dump out all custom ${ofreq} out.${number}.lammpstrj id mol type x y z ix iy iz vx vy vz c_quat[1] c_quat[2] c_quat[3] c_quat[4] angmomx angmomy angmomz -dump out all custom 1000 out.${number}.lammpstrj id mol type x y z ix iy iz vx vy vz c_quat[1] c_quat[2] c_quat[3] c_quat[4] angmomx angmomy angmomz -dump out all custom 1000 out.3.lammpstrj id mol type x y z ix iy iz vx vy vz c_quat[1] c_quat[2] c_quat[3] c_quat[4] angmomx angmomy angmomz -dump_modify out sort id -dump_modify out format line "%d %d %d %22.15le %22.15le %22.15le %d %d %d %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le" - -run 1000000 -Neighbor list info ... - update every 1 steps, delay 0 steps, check yes - max neighbors/atom: 2000, page size: 100000 - master list distance cutoff = 5.6389877 - ghost atom cutoff = 5.6389877 - binsize = 2.8194939, bins = 15 15 15 - 5 neighbor lists, perpetual/occasional/extra = 5 0 0 - (1) pair oxdna2/excv, perpetual - attributes: half, newton off - pair build: half/bin/newtoff - stencil: full/bin/3d - bin: standard - (2) pair oxdna2/hbond, perpetual, copy from (1) - attributes: half, newton off - pair build: copy - stencil: none - bin: none - (3) pair oxdna2/xstk, perpetual, copy from (1) - attributes: half, newton off - pair build: copy - stencil: none - bin: none - (4) pair oxdna2/coaxstk, perpetual, copy from (1) - attributes: half, newton off - pair build: copy - stencil: none - bin: none - (5) pair oxdna2/dh, perpetual, copy from (1) - attributes: half, newton off - pair build: copy - stencil: none - bin: none -WARNING: Communication cutoff adjusted to 5.638987723814632 (../comm.cpp:739) -0 ekin = 1.18025158324274 | erot = 2.17908479136507 | epot = -11.4931199991265 | etot = -8.13378362451868 -Per MPI rank memory allocation (min/avg/max) = 9.444 | 9.445 | 9.446 Mbytes -Step Temp E_pair E_mol TotEng Press Volume - 0 0.087426043 -1.2259004 0.076588446 -1.0312868 -7.7802026e-06 64000 -1000 ekin = 1.08696491147664 | erot = 2.23197650714075 | epot = -11.452725042513 | etot = -8.13378362389561 -2000 ekin = 1.01265115460251 | erot = 2.29132031278141 | epot = -11.4377550908153 | etot = -8.13378362343136 -3000 ekin = 0.964951920610343 | erot = 2.35614244814783 | epot = -11.4548779921654 | etot = -8.13378362340727 -4000 ekin = 0.94586117922706 | erot = 2.42482489276794 | epot = -11.5044696957622 | etot = -8.13378362376716 -5000 ekin = 0.952186940161506 | erot = 2.49508744948286 | epot = -11.5810580140497 | etot = -8.13378362440531 -6000 ekin = 0.976836955567213 | erot = 2.56435791368455 | epot = -11.6749784943528 | etot = -8.133783625101 -7000 ekin = 1.01151727363089 | erot = 2.63034980765842 | epot = -11.7756507069156 | etot = -8.13378362562625 -8000 ekin = 1.04963768886881 | erot = 2.69159648304405 | epot = -11.8750177977505 | etot = -8.13378362583768 -9000 ekin = 1.0883140648391 | erot = 2.74768757650643 | epot = -11.9697852671577 | etot = -8.13378362581213 -10000 ekin = 1.12769894654421 | erot = 2.79881902231424 | epot = -12.0603015945015 | etot = -8.13378362564302 -11000 ekin = 1.16997706279088 | erot = 2.84539220453508 | epot = -12.1491528928088 | etot = -8.13378362548282 -12000 ekin = 1.2177282540356 | erot = 2.88753582693548 | epot = -12.2390477064188 | etot = -8.13378362544771 -13000 ekin = 1.27247277648631 | erot = 2.92478423931383 | epot = -12.3310406413903 | etot = -8.13378362559016 -14000 ekin = 1.33384628320076 | erot = 2.95599632290769 | epot = -12.4236262320193 | etot = -8.13378362591087 -15000 ekin = 1.39936071611667 | erot = 2.97947113417339 | epot = -12.5126154766851 | etot = -8.13378362639509 -16000 ekin = 1.46443870928025 | erot = 2.99312358077437 | epot = -12.591345917414 | etot = -8.13378362735941 -17000 ekin = 1.52113741921508 | erot = 2.99430260105844 | epot = -12.6492236482456 | etot = -8.13378362797211 -18000 ekin = 1.56143918576785 | erot = 2.98098620608853 | epot = -12.6762090203242 | etot = -8.13378362846786 -19000 ekin = 1.57873438318792 | erot = 2.95206674454566 | epot = -12.6645847564924 | etot = -8.13378362875883 -20000 ekin = 1.56841348053788 | erot = 2.90735147312967 | epot = -12.6095485824457 | etot = -8.13378362877816 -21000 ekin = 1.52886464109305 | erot = 2.84765291368988 | epot = -12.5103011832755 | etot = -8.13378362849259 -22000 ekin = 1.46209217703487 | erot = 2.77478397647209 | epot = -12.3706597813888 | etot = -8.13378362788186 -23000 ekin = 1.37376733102673 | erot = 2.69155728313737 | epot = -12.19910824124 | etot = -8.13378362707587 -24000 ekin = 1.27262109890793 | erot = 2.60118350194767 | epot = -12.007588227 | etot = -8.13378362614441 -25000 ekin = 1.16926502294377 | erot = 2.507036926952 | epot = -11.8100855751045 | etot = -8.13378362520874 -26000 ekin = 1.0747148994514 | erot = 2.41235840152823 | epot = -11.6208569253575 | etot = -8.13378362437787 -27000 ekin = 0.998982995755794 | erot = 2.31997753232684 | epot = -11.4527441518069 | etot = -8.13378362372431 -28000 ekin = 0.950065052892259 | erot = 2.23215621537595 | epot = -11.3160048915419 | etot = -8.13378362327374 -29000 ekin = 0.933483801722481 | erot = 2.1505610010298 | epot = -11.2178284257647 | etot = -8.13378362301241 -30000 ekin = 0.952335164335886 | erot = 2.07633501131226 | epot = -11.1624537985557 | etot = -8.13378362290756 -31000 ekin = 1.00761822011295 | erot = 2.01025995539436 | epot = -11.1516617984317 | etot = -8.13378362292441 -32000 ekin = 1.09859027316454 | erot = 1.95287201474932 | epot = -11.1852459109705 | etot = -8.13378362305664 -33000 ekin = 1.22296348257667 | erot = 1.90442653272443 | epot = -11.2611736386121 | etot = -8.13378362331101 -34000 ekin = 1.37683793249556 | erot = 1.8649833610543 | epot = -11.3756049172808 | etot = -8.13378362373091 -35000 ekin = 1.55422271443431 | erot = 1.83436013830192 | epot = -11.522366477147 | etot = -8.13378362441081 -36000 ekin = 1.7458960704812 | erot = 1.81205442227466 | epot = -11.6917341182486 | etot = -8.13378362549271 -37000 ekin = 1.93777565280843 | erot = 1.79705197600553 | epot = -11.8686112558401 | etot = -8.13378362702609 -38000 ekin = 2.11051089015029 | erot = 1.78782890330241 | epot = -12.0321234221669 | etot = -8.13378362871416 -39000 ekin = 2.243214825885 | erot = 1.78271510837239 | epot = -12.1597135641246 | etot = -8.13378362986721 -40000 ekin = 2.32146151921635 | erot = 1.78073283005133 | epot = -12.2359779791649 | etot = -8.13378362989725 -41000 ekin = 2.34386750101379 | erot = 1.78241563043122 | epot = -12.2600667603299 | etot = -8.13378362888491 -42000 ekin = 2.32118218527084 | erot = 1.78979050959086 | epot = -12.2447563223398 | etot = -8.13378362747809 -43000 ekin = 2.26309111555131 | erot = 1.80539262076481 | epot = -12.2022673943962 | etot = -8.13378365808009 -44000 ekin = 2.15856242114827 | erot = 1.84609032619616 | epot = -12.1384363880308 | etot = -8.13378364068641 -45000 ekin = 2.08936731003506 | erot = 1.88904724563044 | epot = -12.1121981822921 | etot = -8.13378362662662 -46000 ekin = 1.99646115970042 | erot = 1.9350398240043 | epot = -12.0652846104763 | etot = -8.13378362677161 -47000 ekin = 1.89712577412036 | erot = 1.98806984898587 | epot = -12.0189792501524 | etot = -8.13378362704618 -48000 ekin = 1.79036864863095 | erot = 2.04496273496238 | epot = -11.9691150108767 | etot = -8.13378362728336 -49000 ekin = 1.67630116263936 | erot = 2.10216327906911 | epot = -11.9122480690704 | etot = -8.13378362736194 -50000 ekin = 1.55727015247074 | erot = 2.15637892895983 | epot = -11.8474327086504 | etot = -8.13378362721979 -51000 ekin = 1.4381743370916 | erot = 2.20514040032699 | epot = -11.7770983642845 | etot = -8.13378362686595 -52000 ekin = 1.32596547232191 | erot = 2.24710946475012 | epot = -11.7068585634506 | etot = -8.13378362637853 -53000 ekin = 1.22848082922928 | erot = 2.28204759210387 | epot = -11.6443120472109 | etot = -8.1337836258777 -54000 ekin = 1.15295119316279 | erot = 2.31049933939895 | epot = -11.5972341580453 | etot = -8.13378362548353 -55000 ekin = 1.10463170766326 | erot = 2.33334681406847 | epot = -11.571762147013 | etot = -8.13378362528126 -56000 ekin = 1.0859079951732 | erot = 2.35139880092338 | epot = -11.5710904214036 | etot = -8.13378362530697 -57000 ekin = 1.09599893485474 | erot = 2.36511154450539 | epot = -11.5948941049135 | etot = -8.13378362555341 -58000 ekin = 1.1311980347098 | erot = 2.37445830578825 | epot = -11.639439966472 | etot = -8.13378362597399 -59000 ekin = 1.18549837183877 | erot = 2.37891691863242 | epot = -11.6981989169899 | etot = -8.13378362651871 -60000 ekin = 1.25136230662726 | erot = 2.37755306615259 | epot = -11.7626989998984 | etot = -8.13378362711854 -61000 ekin = 1.32065657328768 | erot = 2.36917823379323 | epot = -11.8236184347911 | etot = -8.13378362771015 -62000 ekin = 1.38555350991039 | erot = 2.35258911579065 | epot = -11.8719262538937 | etot = -8.1337836281927 -63000 ekin = 1.43966787267624 | erot = 2.32682848519609 | epot = -11.9002799863547 | etot = -8.13378362848239 -64000 ekin = 1.47909503438153 | erot = 2.2914499371541 | epot = -11.9043286000689 | etot = -8.13378362853327 -65000 ekin = 1.50288049774081 | erot = 2.24670960905127 | epot = -11.88337373515 | etot = -8.13378362835796 -66000 ekin = 1.5127450759901 | erot = 2.1935968418301 | epot = -11.840125545851 | etot = -8.13378362803079 -67000 ekin = 1.5120865963301 | erot = 2.13371356874821 | epot = -11.7795837927185 | etot = -8.13378362764022 -68000 ekin = 1.50462166617942 | erot = 2.06904733139788 | epot = -11.7074526249093 | etot = -8.13378362733198 -69000 ekin = 1.49293889166151 | erot = 2.00167765430528 | epot = -11.6284001731037 | etot = -8.13378362713687 -70000 ekin = 1.47793621174635 | erot = 1.93361210060372 | epot = -11.5453319394055 | etot = -8.13378362705546 -71000 ekin = 1.45891349102844 | erot = 1.86670994694695 | epot = -11.4594070650146 | etot = -8.1337836270392 -72000 ekin = 1.43427842101627 | erot = 1.80270883809017 | epot = -11.3707708861216 | etot = -8.13378362701516 -73000 ekin = 1.40258583891037 | erot = 1.74331039193086 | epot = -11.2796798577521 | etot = -8.13378362691083 -74000 ekin = 1.36359371155289 | erot = 1.69025647754913 | epot = -11.1876338157821 | etot = -8.13378362668012 -75000 ekin = 1.31886252565222 | erot = 1.64533820718021 | epot = -11.0979843591717 | etot = -8.13378362633925 -76000 ekin = 1.27181692773762 | erot = 1.61030043593585 | epot = -11.0159009896014 | etot = -8.13378362592789 -77000 ekin = 1.2276733892201 | erot = 1.586709525556 | epot = -10.9481665402834 | etot = -8.1337836255073 -78000 ekin = 1.19187425881975 | erot = 1.57555521121122 | epot = -10.9012130952116 | etot = -8.1337836251806 -79000 ekin = 1.16922470588819 | erot = 1.57716601534079 | epot = -10.880174346204 | etot = -8.13378362497497 -80000 ekin = 1.16351312193731 | erot = 1.59112852775407 | epot = -10.8884252746032 | etot = -8.13378362491183 -81000 ekin = 1.17709123428935 | erot = 1.61633850893085 | epot = -10.9272133682118 | etot = -8.13378362499165 -82000 ekin = 1.21064005584018 | erot = 1.65118762576684 | epot = -10.9956113068159 | etot = -8.13378362520884 -83000 ekin = 1.26297331742729 | erot = 1.69382675572838 | epot = -11.0905836987107 | etot = -8.13378362555501 -84000 ekin = 1.33092648687661 | erot = 1.74243133123666 | epot = -11.207141444114 | etot = -8.13378362600077 -85000 ekin = 1.4096121842737 | erot = 1.79540640337815 | epot = -11.3388022141302 | etot = -8.13378362647838 -86000 ekin = 1.49330005467931 | erot = 1.85150064414006 | epot = -11.4785843257051 | etot = -8.13378362688569 -87000 ekin = 1.57653380716712 | erot = 1.90982169886825 | epot = -11.6201391333937 | etot = -8.13378362735829 -88000 ekin = 1.65416408678862 | erot = 1.96971725895487 | epot = -11.7576649732583 | etot = -8.13378362751478 -89000 ekin = 1.72360216634183 | erot = 2.03055934337538 | epot = -11.8879451373047 | etot = -8.13378362758746 -90000 ekin = 1.78500984589396 | erot = 2.09126219979616 | epot = -12.0100556734365 | etot = -8.13378362774636 -91000 ekin = 1.83789001415883 | erot = 2.15001837237375 | epot = -12.121692014542 | etot = -8.13378362800938 -92000 ekin = 1.8751780932285 | erot = 2.20985483887587 | epot = -12.2188165602804 | etot = -8.13378362817606 -93000 ekin = 1.90356384535079 | erot = 2.26204903048023 | epot = -12.2993965046582 | etot = -8.13378362882718 -94000 ekin = 1.91566641673066 | erot = 2.30892488078343 | epot = -12.3583749263618 | etot = -8.13378362884772 -95000 ekin = 1.91095769384044 | erot = 2.34997522030068 | epot = -12.3947165431019 | etot = -8.13378362896078 -96000 ekin = 1.88948402498952 | erot = 2.38411475951123 | epot = -12.4073824132816 | etot = -8.13378362878085 -97000 ekin = 1.8534381113396 | erot = 2.41133046292278 | epot = -12.3985522027176 | etot = -8.13378362845527 -98000 ekin = 1.80684275230345 | erot = 2.43203206054872 | epot = -12.3726584408924 | etot = -8.13378362804021 -99000 ekin = 1.7547864112325 | erot = 2.4469297773688 | epot = -12.3354998162081 | etot = -8.13378362760676 -100000 ekin = 1.69590911435722 | erot = 2.45386958409528 | epot = -12.2835623848863 | etot = -8.13378368643375 -101000 ekin = 1.68113249375524 | erot = 2.36572534112416 | epot = -12.1806414642163 | etot = -8.13378362933686 -102000 ekin = 1.72678565900262 | erot = 2.35051337712511 | epot = -12.2110826965915 | etot = -8.13378366046378 -103000 ekin = 1.68338599487791 | erot = 2.35411811039612 | epot = -12.1712877656958 | etot = -8.13378366042172 -104000 ekin = 1.6432358641293 | erot = 2.35701648102723 | epot = -12.1340360056527 | etot = -8.1337836604962 -105000 ekin = 1.6058411347212 | erot = 2.35932964102249 | epot = -12.0989544363537 | etot = -8.13378366061004 -106000 ekin = 1.57044138011859 | erot = 2.36092776943221 | epot = -12.0651528102267 | etot = -8.13378366067593 -107000 ekin = 1.5370540025101 | erot = 2.36166253248189 | epot = -12.0325001956583 | etot = -8.13378366066631 -108000 ekin = 1.50696391591148 | erot = 2.36128557349189 | epot = -12.0020331499846 | etot = -8.13378366058128 -109000 ekin = 1.48244426546661 | erot = 2.35938088270993 | epot = -11.9756088087051 | etot = -8.13378366052851 -110000 ekin = 1.46539913148061 | erot = 2.35530683146147 | epot = -11.9544896235792 | etot = -8.13378366063714 -111000 ekin = 1.45548748017583 | erot = 2.34818065606079 | epot = -11.9374517972402 | etot = -8.13378366100358 -112000 ekin = 1.44872729612902 | erot = 2.33695548266938 | epot = -11.9194664403743 | etot = -8.13378366157592 -113000 ekin = 1.43805495586433 | erot = 2.32068695509387 | epot = -11.8925255730866 | etot = -8.13378366212841 -114000 ekin = 1.41640788690808 | erot = 2.29883886662102 | epot = -11.8490304158899 | etot = -8.13378366236083 -115000 ekin = 1.38063781822016 | erot = 2.27153218573294 | epot = -11.7859536655149 | etot = -8.13378366156184 -116000 ekin = 1.33630540308359 | erot = 2.23942220246119 | epot = -11.7095112666467 | etot = -8.13378366110188 -117000 ekin = 1.29001229198269 | erot = 2.20380811829898 | epot = -11.6276040708676 | etot = -8.13378366058597 -118000 ekin = 1.24711548834697 | erot = 2.16635124019897 | epot = -11.5472503887772 | etot = -8.13378366023123 -119000 ekin = 1.21073685469419 | erot = 2.12872161390261 | epot = -11.4732421286709 | etot = -8.13378366007414 -120000 ekin = 1.18115748419447 | erot = 2.09256534610066 | epot = -11.40750649033 | etot = -8.13378366003488 -121000 ekin = 1.15688642101108 | erot = 2.05947511288399 | epot = -11.350145193931 | etot = -8.1337836600359 -122000 ekin = 1.13593168276781 | erot = 2.03084061403911 | epot = -11.3005559568653 | etot = -8.1337836600584 -123000 ekin = 1.11638811965957 | erot = 2.00761097209071 | epot = -11.2577827519201 | etot = -8.13378366016986 -124000 ekin = 1.09616325371759 | erot = 1.99019695902089 | epot = -11.2201438730114 | etot = -8.13378366027295 -125000 ekin = 1.07358508996147 | erot = 1.97820026039384 | epot = -11.1855690107828 | etot = -8.13378366042751 -126000 ekin = 1.04712198978511 | erot = 1.97030937007256 | epot = -11.1512150205173 | etot = -8.13378366065958 -127000 ekin = 1.01560359550535 | erot = 1.96476336054367 | epot = -11.1141506168024 | etot = -8.13378366075333 -128000 ekin = 0.979281846652257 | erot = 1.95990906194977 | epot = -11.0729745693072 | etot = -8.1337836607052 -129000 ekin = 0.940294043229777 | erot = 1.9542877292158 | epot = -11.028365432901 | etot = -8.13378366045539 -130000 ekin = 0.902735823607082 | erot = 1.94710047764785 | epot = -10.9836199613548 | etot = -8.13378366009992 -131000 ekin = 0.87232975913947 | erot = 1.9382057552685 | epot = -10.9443191739567 | etot = -8.13378365954875 -132000 ekin = 0.855045600562003 | erot = 1.92803271303706 | epot = -10.9168619728692 | etot = -8.1337836592701 -133000 ekin = 0.854775562822287 | erot = 1.91694878880983 | epot = -10.9055080107082 | etot = -8.13378365907605 -134000 ekin = 0.873981086378638 | erot = 1.9054952248947 | epot = -10.9132599702529 | etot = -8.13378365897953 -135000 ekin = 0.913690181741534 | erot = 1.89429118508535 | epot = -10.9417650257939 | etot = -8.13378365896698 -136000 ekin = 0.973734451665314 | erot = 1.88395321784257 | epot = -10.991471328535 | etot = -8.13378365902709 -137000 ekin = 1.05255313135912 | erot = 1.8748880008039 | epot = -11.0612247920053 | etot = -8.13378365984223 -138000 ekin = 1.1443524994851 | erot = 1.8662689721207 | epot = -11.1444051316849 | etot = -8.1337836600791 -139000 ekin = 1.24448357091316 | erot = 1.85821435006776 | epot = -11.2364815813232 | etot = -8.13378366034227 -140000 ekin = 1.34860347563737 | erot = 1.85113522079146 | epot = -11.333522357093 | etot = -8.13378366066415 -141000 ekin = 1.45162669266307 | erot = 1.84534635451955 | epot = -11.430756708267 | etot = -8.13378366108439 -142000 ekin = 1.54663919844515 | erot = 1.84103156950942 | epot = -11.5214544297492 | etot = -8.13378366179463 -143000 ekin = 1.6247011023943 | erot = 1.83813053702651 | epot = -11.5966153018866 | etot = -8.13378366246583 -144000 ekin = 1.67710589256313 | erot = 1.83622813336458 | epot = -11.6471176890263 | etot = -8.13378366309863 -145000 ekin = 1.69650852159075 | erot = 1.83477115527506 | epot = -11.6650633403353 | etot = -8.13378366346953 -146000 ekin = 1.6799825027068 | erot = 1.83334306418742 | epot = -11.6471092301929 | etot = -8.13378366329869 -147000 ekin = 1.63255928725536 | erot = 1.83204496823063 | epot = -11.5983879178788 | etot = -8.13378366239283 -148000 ekin = 1.56926257377477 | erot = 1.83182914755862 | epot = -11.534875382189 | etot = -8.13378366085557 -149000 ekin = 1.51300824977771 | erot = 1.83452727994399 | epot = -11.4813191889261 | etot = -8.13378365920442 -150000 ekin = 1.48724963784764 | erot = 1.84235837448654 | epot = -11.4633916705185 | etot = -8.13378365818431 -151000 ekin = 1.50619323823056 | erot = 1.85697474830062 | epot = -11.4969516448368 | etot = -8.13378365830567 -152000 ekin = 1.5685599260268 | erot = 1.87847282638604 | epot = -11.5808164119028 | etot = -8.13378365948999 -153000 ekin = 1.65914489646706 | erot = 1.90493735116026 | epot = -11.6978659087732 | etot = -8.13378366114592 -154000 ekin = 1.75680978950874 | erot = 1.93282846213674 | epot = -11.8234219142234 | etot = -8.13378366257792 -155000 ekin = 1.84344901658567 | erot = 1.95802697046954 | epot = -11.9352596504351 | etot = -8.13378366337988 -156000 ekin = 1.90893795388549 | erot = 1.97697594926185 | epot = -12.019697566723 | etot = -8.1337836635757 -157000 ekin = 1.95061494386007 | erot = 1.98738512433609 | epot = -12.0717837316326 | etot = -8.13378366343647 -158000 ekin = 1.96976178337765 | erot = 1.98837447181577 | epot = -12.0919199183621 | etot = -8.13378366316872 -159000 ekin = 1.96892634677244 | erot = 1.98033790354907 | epot = -12.0830479131022 | etot = -8.13378366278067 -160000 ekin = 1.95167601805922 | erot = 1.96478101830043 | epot = -12.0502406985809 | etot = -8.13378366222127 -161000 ekin = 1.92323849263725 | erot = 1.94408396543573 | epot = -12.0011061196165 | etot = -8.13378366154349 -162000 ekin = 1.89012785139811 | erot = 1.92106669306998 | epot = -11.944978205359 | etot = -8.1337836608909 -163000 ekin = 1.85873206626248 | erot = 1.89844726529971 | epot = -11.8909629919512 | etot = -8.13378366038902 -164000 ekin = 1.83396756863798 | erot = 1.87841814938259 | epot = -11.8461693781064 | etot = -8.13378366008578 -165000 ekin = 1.81873657813931 | erot = 1.86247026312324 | epot = -11.8149905012188 | etot = -8.1337836599562 -166000 ekin = 1.81415764355162 | erot = 1.8514412879533 | epot = -11.79938259145 | etot = -8.13378365994511 -167000 ekin = 1.82014338462659 | erot = 1.84569577974767 | epot = -11.799622824365 | etot = -8.13378365999075 -168000 ekin = 1.83604973591181 | erot = 1.84534918673609 | epot = -11.815182582692 | etot = -8.1337836600441 -169000 ekin = 1.86118807803888 | erot = 1.85047766429992 | epot = -11.8454494024144 | etot = -8.13378366007557 -170000 ekin = 1.89508209491993 | erot = 1.86127600745116 | epot = -11.8901417624546 | etot = -8.13378366008347 -171000 ekin = 1.93739070093696 | erot = 1.87813927221236 | epot = -11.9493136332457 | etot = -8.13378366009642 -172000 ekin = 1.98746465492602 | erot = 1.9016569956626 | epot = -12.0229053107598 | etot = -8.13378366017114 -173000 ekin = 2.04358732260644 | erot = 1.93252470914556 | epot = -12.1098956921176 | etot = -8.13378366036558 -174000 ekin = 2.10212586880609 | erot = 1.97139111366216 | epot = -12.2073006432558 | etot = -8.13378366078754 -175000 ekin = 2.15653164019835 | erot = 2.01868623997525 | epot = -12.3090015416374 | etot = -8.13378366146383 -176000 ekin = 2.19700590631248 | erot = 2.07444517694631 | epot = -12.4052347456345 | etot = -8.13378366237571 -177000 ekin = 2.21275117726687 | erot = 2.13809655452346 | epot = -12.4846313951107 | etot = -8.13378366332033 -178000 ekin = 2.1910308413777 | erot = 2.20849637361908 | epot = -12.533310879452 | etot = -8.13378366445528 -179000 ekin = 2.05002958755748 | erot = 2.27647492405926 | epot = -12.4602881626281 | etot = -8.1337836510114 -180000 ekin = 2.00100366281097 | erot = 2.36086155180617 | epot = -12.4956488860904 | etot = -8.13378367147329 -181000 ekin = 1.8288534450285 | erot = 2.44444025932766 | epot = -12.4070773745343 | etot = -8.1337836701781 -182000 ekin = 1.62724610560642 | erot = 2.53221325513927 | epot = -12.2932430288224 | etot = -8.13378366807668 -183000 ekin = 1.42880501135731 | erot = 2.62540058534394 | epot = -12.1879892625426 | etot = -8.13378366584134 -184000 ekin = 1.26714962832189 | erot = 2.7256198185048 | epot = -12.1265531111187 | etot = -8.133783664292 -185000 ekin = 1.16606552758033 | erot = 2.83366450732284 | epot = -12.1335136988427 | etot = -8.13378366393954 -186000 ekin = 1.13327188784956 | erot = 2.94811459460555 | epot = -12.215170147212 | etot = -8.13378366475687 -187000 ekin = 1.16127663962627 | erot = 3.06454091657723 | epot = -12.3596012225476 | etot = -8.13378366634412 -188000 ekin = 1.23275799228683 | erot = 3.17578119614163 | epot = -12.5423228566627 | etot = -8.13378366823427 -189000 ekin = 1.32637276316102 | erot = 3.27316596760488 | epot = -12.7333224008233 | etot = -8.13378367005736 -190000 ekin = 1.42100795808828 | erot = 3.34817980173588 | epot = -12.9029714313696 | etot = -8.13378367154549 -191000 ekin = 1.49794111549855 | erot = 3.39410379075288 | epot = -13.025828578861 | etot = -8.13378367260959 -192000 ekin = 1.54262156679657 | erot = 3.40720165429168 | epot = -13.0836068940659 | etot = -8.13378367297767 -193000 ekin = 1.54797240883491 | erot = 3.3871523146608 | epot = -13.0689083961187 | etot = -8.133783672623 -194000 ekin = 1.51467582661431 | erot = 3.33705387754678 | epot = -12.9855133757553 | etot = -8.13378367159417 -195000 ekin = 1.45101621748205 | erot = 3.26269312885163 | epot = -12.847493016446 | etot = -8.13378367011236 -196000 ekin = 1.37083042970726 | erot = 3.17132041678842 | epot = -12.6759345149995 | etot = -8.1337836685038 -197000 ekin = 1.29009120536666 | erot = 3.07036265935732 | epot = -12.4942375317737 | etot = -8.13378366704976 -198000 ekin = 1.223641966439 | erot = 2.9665238264393 | epot = -12.3239494587818 | etot = -8.1337836659035 -199000 ekin = 1.18307710083203 | erot = 2.86542144217683 | epot = -12.1822822081286 | etot = -8.13378366511975 -200000 ekin = 1.17564340951886 | erot = 2.77158698378664 | epot = -12.0810140580287 | etot = -8.13378366472323 -201000 ekin = 1.2035961939173 | erot = 2.68856918537094 | epot = -12.0259490440284 | etot = -8.13378366474019 -202000 ekin = 1.26374726413794 | erot = 2.61894189739966 | epot = -12.0164728267157 | etot = -8.13378366517807 -203000 ekin = 1.34751597563135 | erot = 2.56419616426354 | epot = -12.0454958058701 | etot = -8.13378366597518 -204000 ekin = 1.44203337890026 | erot = 2.52468734318829 | epot = -12.1005043890636 | etot = -8.13378366697502 -205000 ekin = 1.53246038205374 | erot = 2.49972903140407 | epot = -12.1659730814057 | etot = -8.13378366794789 -206000 ekin = 1.60510558525676 | erot = 2.48793425280172 | epot = -12.2268235067207 | etot = -8.13378366866227 -207000 ekin = 1.65039556723151 | erot = 2.48771410987631 | epot = -12.271893346076 | etot = -8.13378366896816 -208000 ekin = 1.66471924263836 | erot = 2.49772662877094 | epot = -12.2962295402568 | etot = -8.1337836688475 -209000 ekin = 1.65060780281935 | erot = 2.5170617877379 | epot = -12.3014532589726 | etot = -8.13378366841534 -210000 ekin = 1.6152961353011 | erot = 2.54506818372014 | epot = -12.294147986901 | etot = -8.13378366787973 -211000 ekin = 1.56815998339925 | erot = 2.58088870847204 | epot = -12.2828323593483 | etot = -8.13378366747702 -212000 ekin = 1.51779769211988 | erot = 2.62289115839936 | epot = -12.2744725179128 | etot = -8.13378366739357 -213000 ekin = 1.4697069778648 | erot = 2.66822787294276 | epot = -12.2717185184987 | etot = -8.13378366769114 -214000 ekin = 1.42551121612053 | erot = 2.71271314915528 | epot = -12.272008033447 | etot = -8.13378366817117 -215000 ekin = 1.38449526701928 | erot = 2.75113858809809 | epot = -12.2694175238349 | etot = -8.13378366871753 -216000 ekin = 1.34611450510848 | erot = 2.778189054446 | epot = -12.2580872284529 | etot = -8.13378366889846 -217000 ekin = 1.31348152812132 | erot = 2.78964053187646 | epot = -12.2369057285569 | etot = -8.13378366855912 -218000 ekin = 1.29458639919669 | erot = 2.78319145109128 | epot = -12.211561518241 | etot = -8.13378366795307 -219000 ekin = 1.29978448123297 | erot = 2.75785865494222 | epot = -12.1914268036092 | etot = -8.133783667434 -220000 ekin = 1.33694784981916 | erot = 2.71363634301958 | epot = -12.1843678601791 | etot = -8.13378366734038 -221000 ekin = 1.40745643921217 | erot = 2.65092088134261 | epot = -12.1921609882724 | etot = -8.13378366771768 -222000 ekin = 1.50572252626058 | erot = 2.5702947695228 | epot = -12.2098009641044 | etot = -8.13378366832106 -223000 ekin = 1.622108433758 | erot = 2.4728900733409 | epot = -12.2287821759283 | etot = -8.13378366882938 -224000 ekin = 1.74679393022895 | erot = 2.36097135919323 | epot = -12.2415489584549 | etot = -8.13378366903269 -225000 ekin = 1.87205636329869 | erot = 2.23842454190499 | epot = -12.2442645742122 | etot = -8.13378366900852 -226000 ekin = 1.99134598106539 | erot = 2.11064622098381 | epot = -12.2357758711276 | etot = -8.13378366907843 -227000 ekin = 2.09586639151506 | erot = 1.98364704051147 | epot = -12.2132971015561 | etot = -8.13378366952953 -228000 ekin = 2.17197666667235 | erot = 1.86293503717753 | epot = -12.168695374189 | etot = -8.13378367033911 -229000 ekin = 2.20263173192425 | erot = 1.75265294154687 | epot = -12.0890683445883 | etot = -8.13378367111721 -230000 ekin = 2.17321554606717 | erot = 1.65532359970834 | epot = -11.9623228171274 | etot = -8.13378367135191 -231000 ekin = 2.0785492057305 | erot = 1.57213281486692 | epot = -11.7844656913344 | etot = -8.13378367073699 -232000 ekin = 1.9267119502183 | erot = 1.50340464294821 | epot = -11.5639002625312 | etot = -8.13378366936465 -233000 ekin = 1.73729705955979 | erot = 1.44896834770243 | epot = -11.3200490749316 | etot = -8.13378366766943 -234000 ekin = 1.5355695335478 | erot = 1.408340459375 | epot = -11.077693659003 | etot = -8.13378366608018 -235000 ekin = 1.34558700580171 | erot = 1.38078818073892 | epot = -10.860158851475 | etot = -8.13378366493441 -236000 ekin = 1.18525206422635 | erot = 1.36570263210389 | epot = -10.684738360547 | etot = -8.13378366421678 -237000 ekin = 1.06637029724387 | erot = 1.36251012102835 | epot = -10.5626640820872 | etot = -8.13378366381498 -238000 ekin = 0.995491212021447 | erot = 1.370704297714 | epot = -10.4999791733999 | etot = -8.13378366366447 -239000 ekin = 0.975031518631871 | erot = 1.38971384126898 | epot = -10.4985290236702 | etot = -8.13378366376935 -240000 ekin = 1.00352423904712 | erot = 1.41866034024249 | epot = -10.5559682434632 | etot = -8.13378366417361 -241000 ekin = 1.07556704774174 | erot = 1.45612900246833 | epot = -10.6654797151281 | etot = -8.133783664918 -242000 ekin = 1.18122375067251 | erot = 1.49994629855497 | epot = -10.8149537152524 | etot = -8.13378366602495 -243000 ekin = 1.30634294707366 | erot = 1.54703331020094 | epot = -10.9871599246158 | etot = -8.13378366734116 -244000 ekin = 1.43466609576071 | erot = 1.59374373480257 | epot = -11.1621934990188 | etot = -8.13378366845551 -245000 ekin = 1.5509194417116 | erot = 1.63606515904686 | epot = -11.3207682704725 | etot = -8.13378366971408 -246000 ekin = 1.63963426714502 | erot = 1.67091688012785 | epot = -11.4443348179099 | etot = -8.13378367063702 -247000 ekin = 1.68912292676034 | erot = 1.69643192578669 | epot = -11.519338523587 | etot = -8.13378367104001 -248000 ekin = 1.6941862336644 | erot = 1.71223298155104 | epot = -11.5402028860527 | etot = -8.13378367083729 -249000 ekin = 1.65708464249924 | erot = 1.71943097162712 | epot = -11.5102992843213 | etot = -8.13378367019498 -250000 ekin = 1.58639864685249 | erot = 1.72015982289489 | epot = -11.4403421388616 | etot = -8.13378366911425 -251000 ekin = 1.49555936407676 | erot = 1.71716072440176 | epot = -11.3465037564433 | etot = -8.13378366796475 -252000 ekin = 1.39930346630719 | erot = 1.71298107622756 | epot = -11.246068209527 | etot = -8.13378366699228 -253000 ekin = 1.3103489835937 | erot = 1.70949093459635 | epot = -11.1536235845411 | etot = -8.13378366635106 -254000 ekin = 1.23716194123169 | erot = 1.70776552340202 | epot = -11.0787111307326 | etot = -8.13378366609892 -255000 ekin = 1.18305733845105 | erot = 1.70821467485162 | epot = -11.0250556794503 | etot = -8.13378366614759 -256000 ekin = 1.14729363432645 | erot = 1.71063275158254 | epot = -10.9917100522912 | etot = -8.13378366638218 -257000 ekin = 1.12650460108559 | erot = 1.71454195552869 | epot = -10.9748302232647 | etot = -8.13378366665042 -258000 ekin = 1.11669715917833 | erot = 1.71938873503377 | epot = -10.9698695610666 | etot = -8.1337836668545 -259000 ekin = 1.11461746403845 | erot = 1.72463904931154 | epot = -10.9730401803378 | etot = -8.13378366698779 -260000 ekin = 1.11796213299299 | erot = 1.72976096814025 | epot = -10.9815067682361 | etot = -8.13378366710283 -261000 ekin = 1.12495929560849 | erot = 1.73429797646884 | epot = -10.9930409392109 | etot = -8.13378366713357 -262000 ekin = 1.13415334886889 | erot = 1.73799782227262 | epot = -11.0059348383777 | etot = -8.13378366723624 -263000 ekin = 1.14419248657879 | erot = 1.74014341284042 | epot = -11.0181195666665 | etot = -8.13378366724733 -264000 ekin = 1.15486713033172 | erot = 1.74014049676802 | epot = -11.0287912942192 | etot = -8.13378366711944 -265000 ekin = 1.16757148072562 | erot = 1.73774643956244 | epot = -11.039101587165 | etot = -8.13378366687698 -266000 ekin = 1.18492523334795 | erot = 1.73313774545462 | epot = -11.0518466454031 | etot = -8.13378366660057 -267000 ekin = 1.20976553808811 | erot = 1.72682085390455 | epot = -11.0703700583738 | etot = -8.13378366638118 -268000 ekin = 1.24403111905913 | erot = 1.71946869065513 | epot = -11.0972834759989 | etot = -8.13378366628467 -269000 ekin = 1.28796807043274 | erot = 1.71176934564142 | epot = -11.1335210824109 | etot = -8.1337836663367 -270000 ekin = 1.33984072253569 | erot = 1.70434119615681 | epot = -11.1779655852158 | etot = -8.13378366652329 -271000 ekin = 1.39615730896389 | erot = 1.69774776464927 | epot = -11.2276887403894 | etot = -8.13378366677628 -272000 ekin = 1.45234426470736 | erot = 1.69276715684625 | epot = -11.2788950886277 | etot = -8.13378366707408 -273000 ekin = 1.50368133070088 | erot = 1.6899254699141 | epot = -11.3273904679296 | etot = -8.13378366731462 -274000 ekin = 1.54639996326 | erot = 1.68983337629059 | epot = -11.370017006963 | etot = -8.13378366741239 -275000 ekin = 1.57877490149118 | erot = 1.69332235277519 | epot = -11.4058809215982 | etot = -8.13378366733188 -276000 ekin = 1.60168052283697 | erot = 1.70138855155645 | epot = -11.4368527414914 | etot = -8.13378366709803 -277000 ekin = 1.61832490283356 | erot = 1.71502642603421 | epot = -11.4671349956708 | etot = -8.13378366680302 -278000 ekin = 1.63311060675523 | erot = 1.73495415768231 | epot = -11.5018484310168 | etot = -8.13378366657925 -279000 ekin = 1.64995273995076 | erot = 1.76130541528063 | epot = -11.5450418217764 | etot = -8.13378366654497 -280000 ekin = 1.67073877093535 | erot = 1.79339849893338 | epot = -11.5979209366138 | etot = -8.13378366674507 -281000 ekin = 1.69438407985013 | erot = 1.82970064438665 | epot = -11.6578683914582 | etot = -8.13378366722143 -282000 ekin = 1.71376506080739 | erot = 1.86795891950377 | epot = -11.7155076481303 | etot = -8.13378366781918 -283000 ekin = 1.72224450525141 | erot = 1.90529068548223 | epot = -11.7613188590744 | etot = -8.13378366834076 -284000 ekin = 1.71505262177035 | erot = 1.93881515489586 | epot = -11.7876514453522 | etot = -8.13378366868602 -285000 ekin = 1.68954869056281 | erot = 1.96608819497556 | epot = -11.7894205543605 | etot = -8.13378366882217 -286000 ekin = 1.6455513774747 | erot = 1.98537597121301 | epot = -11.7647110174613 | etot = -8.13378366877358 -287000 ekin = 1.58495470812897 | erot = 1.9957898988245 | epot = -11.7145282755451 | etot = -8.13378366859164 -288000 ekin = 1.51101761585275 | erot = 1.99729776792806 | epot = -11.6420990521107 | etot = -8.13378366832988 -289000 ekin = 1.42766231980656 | erot = 1.99063899576466 | epot = -11.5520849836047 | etot = -8.13378366803348 -290000 ekin = 1.338945014859 | erot = 1.97716758999172 | epot = -11.4498962725825 | etot = -8.13378366773178 -291000 ekin = 1.24881721187693 | erot = 1.95864649303019 | epot = -11.3412473723294 | etot = -8.13378366742226 -292000 ekin = 1.16137515575313 | erot = 1.93702958191795 | epot = -11.2321884047267 | etot = -8.13378366705556 -293000 ekin = 1.08169833470348 | erot = 1.9142773845531 | epot = -11.1297593858137 | etot = -8.13378366655716 -294000 ekin = 1.01689863825985 | erot = 1.89223243581211 | epot = -11.0429147399692 | etot = -8.13378366589725 -295000 ekin = 0.976377352946778 | erot = 1.87253324956461 | epot = -10.9826942676899 | etot = -8.13378366517849 -296000 ekin = 0.970182395976462 | erot = 1.85650679550437 | epot = -10.9604728561375 | etot = -8.13378366465669 -297000 ekin = 1.00537151816906 | erot = 1.84499118418766 | epot = -10.9841463669825 | etot = -8.13378366462574 -298000 ekin = 1.0820053414681 | erot = 1.83812417715831 | epot = -11.0539131838607 | etot = -8.13378366523425 -299000 ekin = 1.19125189129924 | erot = 1.83519410294432 | epot = -11.1602296606202 | etot = -8.1337836663766 -300000 ekin = 1.31698721061554 | erot = 1.83465168975606 | epot = -11.2854225681191 | etot = -8.13378366774752 -301000 ekin = 1.44008784809517 | erot = 1.83433803115701 | epot = -11.4082095482453 | etot = -8.13378366899308 -302000 ekin = 1.54329548540448 | erot = 1.8319000019698 | epot = -11.5089791572141 | etot = -8.13378366983984 -303000 ekin = 1.61484992407372 | erot = 1.82529439832958 | epot = -11.5739279925579 | etot = -8.13378367015465 -304000 ekin = 1.6501104781044 | erot = 1.81324433416795 | epot = -11.5971384822055 | etot = -8.1337836699332 -305000 ekin = 1.65140814366674 | erot = 1.79549497030301 | epot = -11.5806867832603 | etot = -8.13378366929059 -306000 ekin = 1.62643416627266 | erot = 1.77280218913836 | epot = -11.5330200238207 | etot = -8.13378366840971 -307000 ekin = 1.58577500467047 | erot = 1.7466850070814 | epot = -11.466243679247 | etot = -8.13378366749516 -308000 ekin = 1.54030424866547 | erot = 1.7190380162455 | epot = -11.3931259316263 | etot = -8.13378366671535 -309000 ekin = 1.49900091050368 | erot = 1.69173690591768 | epot = -11.3245214826107 | etot = -8.13378366618935 -310000 ekin = 1.46747597212359 | erot = 1.66636932779436 | epot = -11.2676289658602 | etot = -8.13378366594223 -311000 ekin = 1.44771419446125 | erot = 1.6441044887669 | epot = -11.2256023491812 | etot = -8.13378366595302 -312000 ekin = 1.43839141863299 | erot = 1.62568199896102 | epot = -11.1978570837369 | etot = -8.13378366614285 -313000 ekin = 1.43594352565172 | erot = 1.61150443049414 | epot = -11.1812316225564 | etot = -8.13378366641055 -314000 ekin = 1.43595255617426 | erot = 1.60177116104733 | epot = -11.1715073838784 | etot = -8.13378366665676 -315000 ekin = 1.43500742741075 | erot = 1.59648896098848 | epot = -11.1652800551081 | etot = -8.13378366670885 -316000 ekin = 1.43108473245964 | erot = 1.59565804393782 | epot = -11.1605264431215 | etot = -8.13378366672408 -317000 ekin = 1.42390336284279 | erot = 1.59957952106374 | epot = -11.1572665504365 | etot = -8.13378366652995 -318000 ekin = 1.41631295379013 | erot = 1.60866819207335 | epot = -11.1587648120253 | etot = -8.1337836661618 -319000 ekin = 1.41381426233217 | erot = 1.62334142232427 | epot = -11.1709393503794 | etot = -8.13378366572294 -320000 ekin = 1.42315030252318 | erot = 1.64384116840432 | epot = -11.2007751362921 | etot = -8.13378366536455 -321000 ekin = 1.4502484549416 | erot = 1.67003325940262 | epot = -11.2540653795816 | etot = -8.13378366523739 -322000 ekin = 1.49815500536739 | erot = 1.70123818171541 | epot = -11.333176852525 | etot = -8.13378366544223 -323000 ekin = 1.56569352501793 | erot = 1.73609284126728 | epot = -11.435570032302 | etot = -8.13378366601681 -324000 ekin = 1.64679224020953 | erot = 1.77264010660174 | epot = -11.5532160138053 | etot = -8.13378366699399 -325000 ekin = 1.73163775630582 | erot = 1.80818795205706 | epot = -11.673609376406 | etot = -8.13378366804313 -326000 ekin = 1.80750329207855 | erot = 1.83980749295788 | epot = -11.7810944543838 | etot = -8.1337836693474 -327000 ekin = 1.85797659456065 | erot = 1.86537346542197 | epot = -11.8571337303088 | etot = -8.13378367032619 -328000 ekin = 1.87027520748334 | erot = 1.88392315073408 | epot = -11.8879820288766 | etot = -8.1337836706592 -329000 ekin = 1.83949589054195 | erot = 1.89597309718977 | epot = -11.8692526579103 | etot = -8.13378367017855 -330000 ekin = 1.77117100868406 | erot = 1.90323589019568 | epot = -11.8081905678758 | etot = -8.13378366899602 -331000 ekin = 1.68023517872834 | erot = 1.90771959425569 | epot = -11.7217384405291 | etot = -8.13378366754505 -332000 ekin = 1.58599656571047 | erot = 1.91066851347226 | epot = -11.630448745533 | etot = -8.13378366635028 -333000 ekin = 1.50566649891299 | erot = 1.91203797343779 | epot = -11.5514881380494 | etot = -8.13378366569858 -334000 ekin = 1.44997196058755 | erot = 1.91073772769942 | epot = -11.4944933538478 | etot = -8.13378366556085 -335000 ekin = 1.42175053140652 | erot = 1.9051560562899 | epot = -11.4606902539305 | etot = -8.13378366623405 -336000 ekin = 1.41662531058297 | erot = 1.89330033651289 | epot = -11.4437093137209 | etot = -8.13378366662504 -337000 ekin = 1.42902342419778 | erot = 1.87459660541321 | epot = -11.437403696558 | etot = -8.13378366694704 -338000 ekin = 1.45347553473981 | erot = 1.84924982278916 | epot = -11.4365090247012 | etot = -8.13378366717226 -339000 ekin = 1.48532648332114 | erot = 1.81789825388429 | epot = -11.4370084045391 | etot = -8.13378366733368 -340000 ekin = 1.52068113212375 | erot = 1.78131054290074 | epot = -11.4357753424987 | etot = -8.13378366747424 -341000 ekin = 1.55606070128761 | erot = 1.74019406298195 | epot = -11.4300384318839 | etot = -8.13378366761432 -342000 ekin = 1.58819693536347 | erot = 1.69515176482589 | epot = -11.4171323679297 | etot = -8.1337836677403 -343000 ekin = 1.61415529814656 | erot = 1.64675903934792 | epot = -11.3946980053091 | etot = -8.13378366781461 -344000 ekin = 1.63171879307223 | erot = 1.59569319794067 | epot = -11.3611956588139 | etot = -8.13378366780101 -345000 ekin = 1.63976605961484 | erot = 1.54282704208847 | epot = -11.3163767693982 | etot = -8.13378366769487 -346000 ekin = 1.63837200138306 | erot = 1.48918714016547 | epot = -11.2613428090693 | etot = -8.13378366752076 -347000 ekin = 1.62852754177416 | erot = 1.43587351564653 | epot = -11.1981847247515 | etot = -8.13378366733081 -348000 ekin = 1.61158889283619 | erot = 1.38392546940151 | epot = -11.1292980294103 | etot = -8.13378366717258 -349000 ekin = 1.58873557439522 | erot = 1.3342285052023 | epot = -11.056747746671 | etot = -8.13378366707351 -350000 ekin = 1.56064786721489 | erot = 1.28749851959581 | epot = -10.9819300538427 | etot = -8.13378366703198 -351000 ekin = 1.52754191191417 | erot = 1.24434620359135 | epot = -10.9056717825192 | etot = -8.13378366701369 -352000 ekin = 1.48960299204036 | erot = 1.20538641997798 | epot = -10.8287730789784 | etot = -8.13378366696006 -353000 ekin = 1.44778264503061 | erot = 1.171343997089 | epot = -10.7529103089073 | etot = -8.13378366678773 -354000 ekin = 1.40533100953429 | erot = 1.14324844922355 | epot = -10.6823631252439 | etot = -8.13378366648608 -355000 ekin = 1.36869095863523 | erot = 1.12250242069097 | epot = -10.624977045381 | etot = -8.1337836660548 -356000 ekin = 1.34490175995588 | erot = 1.10992990777971 | epot = -10.5886153331823 | etot = -8.13378366544672 -357000 ekin = 1.34315796276068 | erot = 1.10621719879485 | epot = -10.583158826382 | etot = -8.13378366482642 -358000 ekin = 1.37283801207963 | erot = 1.11171347587629 | epot = -10.618335152412 | etot = -8.13378366445607 -359000 ekin = 1.43996759058429 | erot = 1.12612871057334 | epot = -10.6998799657449 | etot = -8.13378366458728 -360000 ekin = 1.54388445914205 | erot = 1.14830381564056 | epot = -10.8259719401007 | etot = -8.13378366531803 -361000 ekin = 1.67586531509345 | erot = 1.17618905419133 | epot = -10.9858380358555 | etot = -8.13378366657067 -362000 ekin = 1.82005627455731 | erot = 1.20703160753369 | epot = -11.1608715500468 | etot = -8.13378366795576 -363000 ekin = 1.95850583937509 | erot = 1.23798141777763 | epot = -11.3302709261667 | etot = -8.13378366901394 -364000 ekin = 2.07580017664631 | erot = 1.26672677095189 | epot = -11.4763106177203 | etot = -8.13378367012209 -365000 ekin = 2.15891662517649 | erot = 1.2917362149566 | epot = -11.5844365106038 | etot = -8.13378367047072 -366000 ekin = 2.20238380195972 | erot = 1.31262064914741 | epot = -11.6487881213393 | etot = -8.13378367023221 -367000 ekin = 2.20851727275469 | erot = 1.33022857587836 | epot = -11.6725295182434 | etot = -8.13378366961035 -368000 ekin = 2.18513118770655 | erot = 1.34632721319968 | epot = -11.6652420696044 | etot = -8.13378366869816 -369000 ekin = 2.14321144646706 | erot = 1.36315448463277 | epot = -11.6401495989035 | etot = -8.13378366780372 -370000 ekin = 2.09388282413385 | erot = 1.3829685872038 | epot = -11.6106350785146 | etot = -8.13378366717694 -371000 ekin = 2.04539161606724 | erot = 1.40758201280237 | epot = -11.5867572956937 | etot = -8.13378366682407 -372000 ekin = 2.00261126514749 | erot = 1.43827057512703 | epot = -11.5746655069406 | etot = -8.13378366666604 -373000 ekin = 1.96798302472978 | erot = 1.47584503943867 | epot = -11.5776117307488 | etot = -8.13378366658035 -374000 ekin = 1.94276422015114 | erot = 1.52074221163633 | epot = -11.5972900983356 | etot = -8.13378366654817 -375000 ekin = 1.92741631545308 | erot = 1.57302624843858 | epot = -11.6342262305094 | etot = -8.13378366661773 -376000 ekin = 1.92110841836944 | erot = 1.63232320681393 | epot = -11.6872152920323 | etot = -8.13378366684892 -377000 ekin = 1.92083197490068 | erot = 1.69770894533905 | epot = -11.7523245875422 | etot = -8.13378366730247 -378000 ekin = 1.92097158012548 | erot = 1.76763055654398 | epot = -11.8223858045424 | etot = -8.13378366787295 -379000 ekin = 1.91438056917346 | erot = 1.8396431871319 | epot = -11.8878074249562 | etot = -8.13378366865082 -380000 ekin = 1.89241520119971 | erot = 1.91106138177138 | epot = -11.9372602523288 | etot = -8.13378366935769 -381000 ekin = 1.84711843121782 | erot = 1.97933543814791 | epot = -11.9602375392315 | etot = -8.13378366986578 -382000 ekin = 1.77364821789102 | erot = 2.04210934440318 | epot = -11.9495412323511 | etot = -8.13378367005693 -383000 ekin = 1.67178472399957 | erot = 2.09754562137053 | epot = -11.9031140151933 | etot = -8.1337836698232 -384000 ekin = 1.5470955648157 | erot = 2.14438708234687 | epot = -11.8252663163821 | etot = -8.1337836692195 -385000 ekin = 1.41093432867773 | erot = 2.18184182145426 | epot = -11.7265598182878 | etot = -8.13378366815581 -386000 ekin = 1.27958936994476 | erot = 2.2105134023135 | epot = -11.6238864391471 | etot = -8.13378366688884 -387000 ekin = 1.17137861198395 | erot = 2.23163165240068 | epot = -11.5367939301748 | etot = -8.13378366579022 -388000 ekin = 1.10179780402381 | erot = 2.24634754527801 | epot = -11.4819290145291 | etot = -8.13378366522729 -389000 ekin = 1.0788214896871 | erot = 2.25505587957633 | epot = -11.4676610376637 | etot = -8.13378366840031 -390000 ekin = 1.0705157013643 | erot = 2.26936424220645 | epot = -11.4736636037199 | etot = -8.13378366014919 -391000 ekin = 1.12513305991339 | erot = 2.2855798798748 | epot = -11.5444966077406 | etot = -8.13378366795243 -392000 ekin = 1.21295440172158 | erot = 2.27063670340333 | epot = -11.6173747716302 | etot = -8.13378366650531 -393000 ekin = 1.30924312365224 | erot = 2.24076930893604 | epot = -11.6837960997163 | etot = -8.13378366712804 -394000 ekin = 1.40561895760406 | erot = 2.19794335034459 | epot = -11.7373459753389 | etot = -8.13378366739026 -395000 ekin = 1.49662707239142 | erot = 2.14293675801952 | epot = -11.7733474977458 | etot = -8.1337836673349 -396000 ekin = 1.58077727991405 | erot = 2.07761988891095 | epot = -11.7921808358742 | etot = -8.13378366704919 -397000 ekin = 1.65955042581825 | erot = 2.0046983719103 | epot = -11.7980324643568 | etot = -8.13378366662829 -398000 ekin = 1.73622447988656 | erot = 1.9274307725286 | epot = -11.7974389185606 | etot = -8.13378366614548 -399000 ekin = 1.81471876942306 | erot = 1.84941455049466 | epot = -11.7979169856368 | etot = -8.13378366571907 -400000 ekin = 1.8983134508337 | erot = 1.77428869309176 | epot = -11.8063858093358 | etot = -8.1337836654103 -401000 ekin = 1.98857882165182 | erot = 1.70555701947582 | epot = -11.8279195064049 | etot = -8.13378366527722 -402000 ekin = 2.08469272454841 | erot = 1.64640053761235 | epot = -11.8648769274935 | etot = -8.13378366533273 -403000 ekin = 2.18333492883605 | erot = 1.59947809827627 | epot = -11.9165966926826 | etot = -8.13378366557027 -404000 ekin = 2.27899469657427 | erot = 1.56671457666619 | epot = -11.9794929390981 | etot = -8.13378366585767 -405000 ekin = 2.36506409046445 | erot = 1.54904572147219 | epot = -12.0478934783852 | etot = -8.13378366644859 -406000 ekin = 2.43306193249475 | erot = 1.546304344122 | epot = -12.1131499437743 | etot = -8.13378366715758 -407000 ekin = 2.4736418638006 | erot = 1.55689186413037 | epot = -12.1643173959494 | etot = -8.13378366801846 -408000 ekin = 2.47760299471968 | erot = 1.57810641384436 | epot = -12.1894930773271 | etot = -8.13378366876308 -409000 ekin = 2.43822850842007 | erot = 1.60664113475445 | epot = -12.1786533122524 | etot = -8.1337836690779 -410000 ekin = 2.35516301279646 | erot = 1.63934184028347 | epot = -12.1282885218097 | etot = -8.13378366872976 -411000 ekin = 2.23661952276616 | erot = 1.67408087730609 | epot = -12.0444840678173 | etot = -8.13378366774505 -412000 ekin = 2.09851267461395 | erot = 1.71012170017572 | epot = -11.9424180412093 | etot = -8.1337836664196 -413000 ekin = 1.96056484793519 | erot = 1.74778804011123 | epot = -11.8421365532004 | etot = -8.13378366515394 -414000 ekin = 1.84128090481262 | erot = 1.78771082122138 | epot = -11.7627753903042 | etot = -8.13378366427025 -415000 ekin = 1.75390442336068 | erot = 1.83009103154498 | epot = -11.7177791188318 | etot = -8.1337836639261 -416000 ekin = 1.70439570487926 | erot = 1.87425008285701 | epot = -11.7124294518636 | etot = -8.13378366412739 -417000 ekin = 1.69131554253175 | erot = 1.91850147883749 | epot = -11.743600686186 | etot = -8.13378366481675 -418000 ekin = 1.70689490032135 | erot = 1.96025799788817 | epot = -11.8009365639669 | etot = -8.13378366575739 -419000 ekin = 1.73962222230745 | erot = 1.99637255840753 | epot = -11.8697784475041 | etot = -8.13378366678912 -420000 ekin = 1.77669286262858 | erot = 2.02357619715018 | epot = -11.9340527274824 | etot = -8.13378366770368 -421000 ekin = 1.80657824083284 | erot = 2.0390304955572 | epot = -11.9793924047177 | etot = -8.13378366832764 -422000 ekin = 1.82111290086208 | erot = 2.04088419799593 | epot = -11.9957807674312 | etot = -8.1337836685732 -423000 ekin = 1.81648584568944 | erot = 2.02865244729818 | epot = -11.9789219614471 | etot = -8.13378366845947 -424000 ekin = 1.79301691785358 | erot = 2.00326876348541 | epot = -11.930069349413 | etot = -8.13378366807404 -425000 ekin = 1.7542404696839 | erot = 1.96680784722109 | epot = -11.8548319844133 | etot = -8.13378366750828 -426000 ekin = 1.70601392329575 | erot = 1.92202692836949 | epot = -11.7618245184928 | etot = -8.13378366682755 -427000 ekin = 1.65580906013395 | erot = 1.87186985441023 | epot = -11.6614625806825 | etot = -8.13378366613827 -428000 ekin = 1.61207963969974 | erot = 1.81905558542117 | epot = -11.5649188905573 | etot = -8.13378366543637 -429000 ekin = 1.58339999423441 | erot = 1.76579893171643 | epot = -11.4829825908618 | etot = -8.13378366491091 -430000 ekin = 1.57646033948071 | erot = 1.71346152699261 | epot = -11.4237055311749 | etot = -8.13378366470161 -431000 ekin = 1.59418488211472 | erot = 1.66239892772815 | epot = -11.3903674747328 | etot = -8.13378366488997 -432000 ekin = 1.63452809772422 | erot = 1.61205574803984 | epot = -11.3803675111975 | etot = -8.13378366543346 -433000 ekin = 1.69077410977618 | erot = 1.56136635610516 | epot = -11.3859241320224 | etot = -8.13378366614102 -434000 ekin = 1.75368500743292 | erot = 1.50939558466323 | epot = -11.3968642588314 | etot = -8.13378366673528 -435000 ekin = 1.81477188941735 | erot = 1.45598133799836 | epot = -11.4045368944183 | etot = -8.13378366700259 -436000 ekin = 1.86895151228505 | erot = 1.40204530897968 | epot = -11.404780488101 | etot = -8.13378366683627 -437000 ekin = 1.91551323813655 | erot = 1.34941425923463 | epot = -11.3987111639599 | etot = -8.13378366658874 -438000 ekin = 1.95545357706127 | erot = 1.30011080733677 | epot = -11.3893480508785 | etot = -8.13378366648046 -439000 ekin = 1.98811153075382 | erot = 1.25557284833865 | epot = -11.3774680457389 | etot = -8.13378366664641 -440000 ekin = 2.00986623435756 | erot = 1.21630204161131 | epot = -11.3599519429641 | etot = -8.13378366699526 -441000 ekin = 2.01530350765493 | erot = 1.18202297032947 | epot = -11.3311101452728 | etot = -8.13378366728836 -442000 ekin = 1.9993634967869 | erot = 1.15207873138354 | epot = -11.2852258960248 | etot = -8.13378366785433 -443000 ekin = 1.95696749681392 | erot = 1.12547607064215 | epot = -11.2162272349849 | etot = -8.1337836675288 -444000 ekin = 1.89166490098825 | erot = 1.10194461448165 | epot = -11.1273931823305 | etot = -8.13378366686056 -445000 ekin = 1.81328868644756 | erot = 1.08168732032795 | epot = -11.0287596725697 | etot = -8.13378366579416 -446000 ekin = 1.7357789947487 | erot = 1.06505071493094 | epot = -10.9346133747261 | etot = -8.1337836650465 -447000 ekin = 1.67093185589145 | erot = 1.05239705127173 | epot = -10.8571125714753 | etot = -8.13378366431213 -448000 ekin = 1.62911856820013 | erot = 1.04409603312877 | epot = -10.8069982651763 | etot = -8.13378366384744 -449000 ekin = 1.61731626297624 | erot = 1.04041489697374 | epot = -10.7915148237116 | etot = -8.13378366376162 -450000 ekin = 1.6371169760635 | erot = 1.04135992229854 | epot = -10.8122605627073 | etot = -8.13378366434522 -451000 ekin = 1.68320258142863 | erot = 1.04620824656701 | epot = -10.8631944930294 | etot = -8.13378366503374 -452000 ekin = 1.74581668012429 | erot = 1.05391169410258 | epot = -10.9335120400066 | etot = -8.13378366577969 -453000 ekin = 1.81457146101262 | erot = 1.06335165863559 | epot = -11.0117067861272 | etot = -8.13378366647896 -454000 ekin = 1.87975957939155 | erot = 1.07317402238584 | epot = -11.0867172689134 | etot = -8.13378366713605 -455000 ekin = 1.9325187758859 | erot = 1.0817162332551 | epot = -11.1480186769514 | etot = -8.13378366781045 -456000 ekin = 1.96415416827458 | erot = 1.08704156958786 | epot = -11.1849794063639 | etot = -8.13378366850143 -457000 ekin = 1.96605348077707 | erot = 1.08723394294108 | epot = -11.1870710927892 | etot = -8.13378366907104 -458000 ekin = 1.93127523761404 | erot = 1.08096076790283 | epot = -11.1460196747808 | etot = -8.13378366926398 -459000 ekin = 1.85771594839407 | erot = 1.06809531780543 | epot = -11.0595949350247 | etot = -8.13378366882522 -460000 ekin = 1.75147188083469 | erot = 1.05009293158145 | epot = -10.9353484800619 | etot = -8.13378366764577 -461000 ekin = 1.62834142733422 | erot = 1.02990811326217 | epot = -10.7920332064989 | etot = -8.13378366590246 -462000 ekin = 1.51195360647266 | erot = 1.01153881174185 | epot = -10.6572760811912 | etot = -8.13378366297672 -463000 ekin = 1.43011910143164 | erot = 1.00022578453557 | epot = -10.5641285481427 | etot = -8.13378366217548 -464000 ekin = 1.39582910826903 | erot = 0.998198432074986 | epot = -10.5278112021952 | etot = -8.1337836618512 -465000 ekin = 1.41007554849745 | erot = 1.00592009003026 | epot = -10.5497793012316 | etot = -8.13378366270389 -466000 ekin = 1.46251969360414 | erot = 1.02219738030375 | epot = -10.6185007378594 | etot = -8.13378366395154 -467000 ekin = 1.49627186619546 | erot = 1.05472101824476 | epot = -10.6847765487641 | etot = -8.13378366432389 -468000 ekin = 1.51725853676646 | erot = 1.12479885666538 | epot = -10.7758410579682 | etot = -8.13378366453633 -469000 ekin = 1.58140637754108 | erot = 1.16828828958057 | epot = -10.8834783316039 | etot = -8.13378366448221 -470000 ekin = 1.60068578297537 | erot = 1.1811414102052 | epot = -10.9156108575306 | etot = -8.13378366435 -471000 ekin = 1.59076368324978 | erot = 1.18707237246534 | epot = -10.911619719416 | etot = -8.13378366370092 -472000 ekin = 1.56124060598129 | erot = 1.18572143100842 | epot = -10.8807456997834 | etot = -8.1337836627937 -473000 ekin = 1.5250209740962 | erot = 1.17792025680898 | epot = -10.8367248927409 | etot = -8.13378366183571 -474000 ekin = 1.49533177224124 | erot = 1.16544446213364 | epot = -10.7945598953308 | etot = -8.1337836609559 -475000 ekin = 1.48386630174459 | erot = 1.15068540215452 | epot = -10.768335364138 | etot = -8.13378366023887 -476000 ekin = 1.49971334631653 | erot = 1.13623821677884 | epot = -10.7697352228395 | etot = -8.13378365974411 -477000 ekin = 1.5487111876888 | erot = 1.12448433352661 | epot = -10.8069791813277 | etot = -8.13378366011226 -478000 ekin = 1.62953491120247 | erot = 1.1176426890345 | epot = -10.8809612604774 | etot = -8.13378366024041 -479000 ekin = 1.73735741644254 | erot = 1.117006208111 | epot = -10.9881472852204 | etot = -8.13378366066682 -480000 ekin = 1.86556210288884 | erot = 1.12262064774855 | epot = -11.1219664120706 | etot = -8.13378366143325 -481000 ekin = 2.00121026336288 | erot = 1.1336486002113 | epot = -11.2686425499408 | etot = -8.13378368636666 -482000 ekin = 2.04617329753799 | erot = 1.1625692617215 | epot = -11.3425262237474 | etot = -8.1337836644879 -483000 ekin = 2.14335261837481 | erot = 1.2147627313197 | epot = -11.4918990326043 | etot = -8.13378368290979 -484000 ekin = 2.20270995355674 | erot = 1.23147381806447 | epot = -11.5679674446405 | etot = -8.13378367301928 -485000 ekin = 2.20682939440538 | erot = 1.23835798981609 | epot = -11.5789710574745 | etot = -8.13378367325297 -486000 ekin = 2.16589682793847 | erot = 1.24300370551386 | epot = -11.5426842062817 | etot = -8.13378367282935 -487000 ekin = 2.08668888864475 | erot = 1.24625551751706 | epot = -11.4667280780089 | etot = -8.13378367184709 -488000 ekin = 1.98386509124435 | erot = 1.24977318046269 | epot = -11.3674219422309 | etot = -8.1337836705239 -489000 ekin = 1.8770793102991 | erot = 1.255470127734 | epot = -11.2663331071942 | etot = -8.13378366916115 -490000 ekin = 1.78677596316064 | erot = 1.26490338721773 | epot = -11.1854630185056 | etot = -8.13378366812726 -491000 ekin = 1.72903831213024 | erot = 1.27867004038023 | epot = -11.1414920203099 | etot = -8.13378366779945 -492000 ekin = 1.71039979056745 | erot = 1.2959176810728 | epot = -11.1401011400604 | etot = -8.13378366842019 -493000 ekin = 1.72454317155255 | erot = 1.31423280426937 | epot = -11.1725596457264 | etot = -8.13378366990446 -494000 ekin = 1.75332785014951 | erot = 1.33022406247028 | epot = -11.2173355843427 | etot = -8.13378367172286 -495000 ekin = 1.77349565825601 | erot = 1.34086561473764 | epot = -11.248144946032 | etot = -8.13378367303834 -496000 ekin = 1.76725059668319 | erot = 1.34512484287368 | epot = -11.2461591127086 | etot = -8.1337836731517 -497000 ekin = 1.73127637990569 | erot = 1.34494708213011 | epot = -11.2100071339989 | etot = -8.13378367196309 -498000 ekin = 1.67855000909753 | erot = 1.34489121265361 | epot = -11.1572248917884 | etot = -8.13378367003722 -499000 ekin = 1.63191747121451 | erot = 1.35056727534129 | epot = -11.1162684147704 | etot = -8.13378366821463 -500000 ekin = 1.6137835999163 | erot = 1.36676364682263 | epot = -11.1143309138908 | etot = -8.13378366715187 -501000 ekin = 1.6375810198933 | erot = 1.39609850677296 | epot = -11.1674631937686 | etot = -8.13378366710232 -502000 ekin = 1.70413807541648 | erot = 1.43847493669639 | epot = -11.2763966800811 | etot = -8.13378366796824 -503000 ekin = 1.80268297747067 | erot = 1.49115460254022 | epot = -11.4276212495033 | etot = -8.13378366949244 -504000 ekin = 1.9141954977774 | erot = 1.54914693964006 | epot = -11.5971261088452 | etot = -8.13378367142778 -505000 ekin = 2.01490443996074 | erot = 1.6057640650419 | epot = -11.7544521785436 | etot = -8.13378367354096 -506000 ekin = 2.07966541468552 | erot = 1.65345439353817 | epot = -11.8669034836636 | etot = -8.13378367543991 -507000 ekin = 2.08700353894391 | erot = 1.68517460629184 | epot = -11.9059618217143 | etot = -8.13378367647857 -508000 ekin = 2.0266335266071 | erot = 1.69625747623332 | epot = -11.8566746789094 | etot = -8.13378367606896 -509000 ekin = 1.9058906413155 | erot = 1.68599529702425 | epot = -11.725669612527 | etot = -8.13378367418728 -510000 ekin = 1.74959091230051 | erot = 1.65787688253056 | epot = -11.5412514662974 | etot = -8.13378367146631 -511000 ekin = 1.59231955656842 | erot = 1.6182626673137 | epot = -11.3443658926589 | etot = -8.13378366877683 -512000 ekin = 1.46755856058655 | erot = 1.574346623802 | epot = -11.1756888512705 | etot = -8.13378366688192 -513000 ekin = 1.3983991609166 | erot = 1.53234768377425 | epot = -11.0645305108004 | etot = -8.13378366610958 -514000 ekin = 1.39338903685241 | erot = 1.49706258344285 | epot = -11.0242352864508 | etot = -8.13378366615559 -515000 ekin = 1.44495159060737 | erot = 1.47110271002737 | epot = -11.0498379681962 | etot = -8.13378366756146 -516000 ekin = 1.53288312820279 | erot = 1.45357064724177 | epot = -11.1202374448314 | etot = -8.1337836693868 -517000 ekin = 1.63159033311232 | erot = 1.44224294472549 | epot = -11.2076169492165 | etot = -8.13378367137872 -518000 ekin = 1.71409401454596 | erot = 1.43408399435521 | epot = -11.2819616821398 | etot = -8.13378367323862 -519000 ekin = 1.75665192755708 | erot = 1.42579002916576 | epot = -11.3162256317207 | etot = -8.13378367499789 -520000 ekin = 1.74187345946909 | erot = 1.41504839774624 | epot = -11.290705532421 | etot = -8.13378367520563 -521000 ekin = 1.66871703040042 | erot = 1.40071550595596 | epot = -11.2032162101062 | etot = -8.13378367374984 -522000 ekin = 1.55952182855679 | erot = 1.3833998364993 | epot = -11.0767053361963 | etot = -8.13378367114018 -523000 ekin = 1.45114556551102 | erot = 1.36568308064865 | epot = -10.9506123146175 | etot = -8.13378366845782 -524000 ekin = 1.38091842212155 | erot = 1.35134919390993 | epot = -10.8660512824778 | etot = -8.13378366644636 -525000 ekin = 1.37601425590438 | erot = 1.34456662956207 | epot = -10.8543645508773 | etot = -8.13378366541088 -526000 ekin = 1.44870428483712 | erot = 1.3490974017969 | epot = -10.9315853521455 | etot = -8.13378366551144 -527000 ekin = 1.5945986354535 | erot = 1.36714947552606 | epot = -11.0955317778941 | etot = -8.13378366691456 -528000 ekin = 1.7918340547974 | erot = 1.39841904593992 | epot = -11.3240367701565 | etot = -8.13378366941917 -529000 ekin = 2.00478978695404 | erot = 1.43972835788573 | epot = -11.5783018172113 | etot = -8.13378367237151 -530000 ekin = 2.19333795598997 | erot = 1.48552207658974 | epot = -11.8126437074694 | etot = -8.13378367488965 -531000 ekin = 2.32431476963038 | erot = 1.52928747156722 | epot = -11.9873859174876 | etot = -8.13378367629003 -532000 ekin = 2.37971447235942 | erot = 1.56539257219217 | epot = -12.078890721007 | etot = -8.1337836764554 -533000 ekin = 2.35771666713876 | erot = 1.59048999441718 | epot = -12.0819903372205 | etot = -8.13378367566452 -534000 ekin = 2.26899715447946 | erot = 1.60407394360566 | epot = -12.0068547722183 | etot = -8.13378367413313 -535000 ekin = 2.13365177459504 | erot = 1.60831072463745 | epot = -11.8757461712559 | etot = -8.13378367202338 -536000 ekin = 1.97886376168026 | erot = 1.60719127869265 | epot = -11.7198387101024 | etot = -8.13378366972953 -537000 ekin = 1.83421887316433 | erot = 1.6052389830352 | epot = -11.5732415239645 | etot = -8.13378366776499 -538000 ekin = 1.7253172089481 | erot = 1.60632519291408 | epot = -11.465426068374 | etot = -8.13378366651184 -539000 ekin = 1.66856519908309 | erot = 1.61301472932345 | epot = -11.4153635945303 | etot = -8.13378366612373 -540000 ekin = 1.66907056570911 | erot = 1.62662968766944 | epot = -11.429483919541 | etot = -8.13378366616247 -541000 ekin = 1.72153495930239 | erot = 1.64788745987798 | epot = -11.5032060865291 | etot = -8.13378366734877 -542000 ekin = 1.80903650499997 | erot = 1.67547869681539 | epot = -11.6182988707279 | etot = -8.13378366891259 -543000 ekin = 1.90894616838506 | erot = 1.7073450894897 | epot = -11.7500749284098 | etot = -8.13378367053506 -544000 ekin = 1.99777842842207 | erot = 1.74125357781803 | epot = -11.8728156781595 | etot = -8.13378367191943 -545000 ekin = 2.05546409376853 | erot = 1.7752100003717 | epot = -11.9644577669752 | etot = -8.13378367283499 -546000 ekin = 2.06867595315502 | erot = 1.80779483609561 | epot = -12.0102544624071 | etot = -8.13378367315649 -547000 ekin = 2.03267806246845 | erot = 1.83838588998399 | epot = -12.0048476253203 | etot = -8.13378367286789 -548000 ekin = 1.95148731421714 | erot = 1.8671839088262 | epot = -11.9524548951466 | etot = -8.13378367210323 -549000 ekin = 1.83645042329733 | erot = 1.89487456519778 | epot = -11.865108659532 | etot = -8.13378367103693 -550000 ekin = 1.7037313049418 | erot = 1.92233248820263 | epot = -11.7598474630215 | etot = -8.13378366987706 -551000 ekin = 1.57139422779038 | erot = 1.95024291867484 | epot = -11.6554208152766 | etot = -8.13378366881139 -552000 ekin = 1.45663332554879 | erot = 1.97878558862137 | epot = -11.5692025821639 | etot = -8.13378366799371 -553000 ekin = 1.37337409016338 | erot = 2.00744335364772 | epot = -11.5146011113573 | etot = -8.13378366754621 -554000 ekin = 1.33029485859016 | erot = 2.03496657144412 | epot = -11.4990450975783 | etot = -8.13378366754399 -555000 ekin = 1.32945359622626 | erot = 2.05953157375239 | epot = -11.5227688379757 | etot = -8.1337836679971 -556000 ekin = 1.36589068754812 | erot = 2.0790983760863 | epot = -11.5787727324453 | etot = -8.13378366881089 -557000 ekin = 1.42857577082434 | erot = 2.09193210846441 | epot = -11.6542915490903 | etot = -8.13378366980157 -558000 ekin = 1.50275359963621 | erot = 2.09715314139738 | epot = -11.7336904117649 | etot = -8.13378367073132 -559000 ekin = 1.57321830908012 | erot = 2.0951186218922 | epot = -11.8021206023679 | etot = -8.13378367139556 -560000 ekin = 1.62740172364614 | erot = 2.08745496893088 | epot = -11.8486403643047 | etot = -8.13378367172764 -561000 ekin = 1.65692416189542 | erot = 2.07666092047267 | epot = -11.8673687541756 | etot = -8.13378367180753 -562000 ekin = 1.65737426357432 | erot = 2.06544534214174 | epot = -11.8566032774488 | etot = -8.13378367173272 -563000 ekin = 1.62727808429362 | erot = 2.05615555037707 | epot = -11.8172173064581 | etot = -8.13378367178738 -564000 ekin = 1.56679933057649 | erot = 2.05047511799079 | epot = -11.7510581199199 | etot = -8.13378367135264 -565000 ekin = 1.48206055330475 | erot = 2.04917576858042 | epot = -11.6650199925319 | etot = -8.13378367064677 -566000 ekin = 1.38423866545304 | erot = 2.05221850149694 | epot = -11.5702408367336 | etot = -8.1337836697836 -567000 ekin = 1.28749391779484 | erot = 2.05873429504791 | epot = -11.4800118818287 | etot = -8.13378366898596 -568000 ekin = 1.20570431101636 | erot = 2.06705692033373 | epot = -11.4065448998072 | etot = -8.1337836684571 -569000 ekin = 1.14918558020451 | erot = 2.07495244465527 | epot = -11.3579216931492 | etot = -8.13378366828941 -570000 ekin = 1.12276449642623 | erot = 2.08007272961832 | epot = -11.3366208944897 | etot = -8.13378366844511 -571000 ekin = 1.12567595867963 | erot = 2.08050218013247 | epot = -11.3399618076128 | etot = -8.13378366880073 -572000 ekin = 1.15294903406445 | erot = 2.07519259344742 | epot = -11.361925296714 | etot = -8.13378366920215 -573000 ekin = 1.19838854914769 | erot = 2.06451015558314 | epot = -11.3966823739592 | etot = -8.13378366922832 -574000 ekin = 1.25460427385581 | erot = 2.04968889738443 | epot = -11.4380768407668 | etot = -8.13378366952656 -575000 ekin = 1.31454735692382 | erot = 2.03199549862628 | epot = -11.4803265250831 | etot = -8.13378366953303 -576000 ekin = 1.37512583608875 | erot = 2.01319845741096 | epot = -11.5221079628052 | etot = -8.13378366930547 -577000 ekin = 1.43682760501221 | erot = 1.99528982934614 | epot = -11.5659011033237 | etot = -8.13378366896538 -578000 ekin = 1.50235588200393 | erot = 1.98017269182714 | epot = -11.6163122424572 | etot = -8.13378366862608 -579000 ekin = 1.57520818415661 | erot = 1.96938672247192 | epot = -11.6783785749882 | etot = -8.13378366835971 -580000 ekin = 1.6586846249208 | erot = 1.96390249857434 | epot = -11.7563707921358 | etot = -8.13378366864064 -581000 ekin = 1.75247311825855 | erot = 1.96419308534606 | epot = -11.8504498724693 | etot = -8.13378366886464 -582000 ekin = 1.85283782857132 | erot = 1.96967477641428 | epot = -11.9562962743649 | etot = -8.13378366937934 -583000 ekin = 1.95429754597 | erot = 1.9782640549526 | epot = -12.0663452712483 | etot = -8.13378367032571 -584000 ekin = 2.04662916571846 | erot = 1.98631443704129 | epot = -12.1667272745317 | etot = -8.13378367177197 -585000 ekin = 2.11419694671339 | erot = 1.98862566441979 | epot = -12.2366062846731 | etot = -8.1337836735399 -586000 ekin = 2.13871236988187 | erot = 1.97915340581082 | epot = -12.2516494507752 | etot = -8.13378367508249 -587000 ekin = 2.10465783247742 | erot = 1.95256271522648 | epot = -12.191004223596 | etot = -8.13378367589215 -588000 ekin = 2.00543191749115 | erot = 1.90599988276949 | epot = -12.0452154755398 | etot = -8.13378367527917 -589000 ekin = 1.85115446104203 | erot = 1.84021509335382 | epot = -11.8251532276741 | etot = -8.13378367327826 -590000 ekin = 1.66921622808237 | erot = 1.75933351103099 | epot = -11.5623334095068 | etot = -8.13378367039345 -591000 ekin = 1.49774854838706 | erot = 1.66961531491678 | epot = -11.3011475307928 | etot = -8.13378366748897 -592000 ekin = 1.37418208601279 | erot = 1.57786762198314 | epot = -11.0858333735172 | etot = -8.13378366552125 -593000 ekin = 1.32230765435156 | erot = 1.49017042366288 | epot = -10.9462617430931 | etot = -8.1337836650787 -594000 ekin = 1.3443358458271 | erot = 1.41110289035714 | epot = -10.8892224022215 | etot = -8.13378366603731 -595000 ekin = 1.42313762142491 | erot = 1.34352894993738 | epot = -10.9004502389466 | etot = -8.13378366758431 -596000 ekin = 1.53140640357788 | erot = 1.28905714162215 | epot = -10.9542472149259 | etot = -8.13378366972589 -597000 ekin = 1.63793776665174 | erot = 1.24822708397561 | epot = -11.0199485217695 | etot = -8.13378367114217 -598000 ekin = 1.7185336949688 | erot = 1.22042305583814 | epot = -11.0727404229591 | etot = -8.13378367215213 -599000 ekin = 1.75676579671706 | erot = 1.20417119497698 | epot = -11.0947206644308 | etot = -8.1337836727368 -600000 ekin = 1.74415562350487 | erot = 1.19748501257288 | epot = -11.075424308894 | etot = -8.13378367281625 -601000 ekin = 1.68078686627226 | erot = 1.19842786467237 | epot = -11.0129984032328 | etot = -8.13378367228817 -602000 ekin = 1.5759276846428 | erot = 1.20571835983063 | epot = -10.915429715615 | etot = -8.13378367114156 -603000 ekin = 1.44736021988183 | erot = 1.2190655666565 | epot = -10.8002094561103 | etot = -8.133783669572 -604000 ekin = 1.31829530124237 | erot = 1.23900632720145 | epot = -10.6910852964292 | etot = -8.1337836679854 -605000 ekin = 1.21203583247901 | erot = 1.26625018195725 | epot = -10.6120696811993 | etot = -8.13378366676304 -606000 ekin = 1.14717881944628 | erot = 1.30114918573216 | epot = -10.5821116711632 | etot = -8.13378366598476 -607000 ekin = 1.13493137971139 | erot = 1.34344256501163 | epot = -10.6121576106362 | etot = -8.13378366591323 -608000 ekin = 1.17769398076198 | erot = 1.39211398655642 | epot = -10.7035916336253 | etot = -8.1337836663069 -609000 ekin = 1.27083042498511 | erot = 1.44572829442914 | epot = -10.8503423864968 | etot = -8.13378366708251 -610000 ekin = 1.4035930895439 | erot = 1.50241692808088 | epot = -11.0397936861368 | etot = -8.133783668512 -611000 ekin = 1.55996607947597 | erot = 1.55982171139495 | epot = -11.2535714606409 | etot = -8.13378366976994 -612000 ekin = 1.72323074886001 | erot = 1.61567444068074 | epot = -11.4726888606367 | etot = -8.13378367109591 -613000 ekin = 1.87623356286641 | erot = 1.66732234624289 | epot = -11.6773395815026 | etot = -8.1337836723933 -614000 ekin = 2.00332542688057 | erot = 1.71185786770914 | epot = -11.8489669679118 | etot = -8.13378367332208 -615000 ekin = 2.0938447106977 | erot = 1.74706892485965 | epot = -11.9746973091568 | etot = -8.13378367359943 -616000 ekin = 2.14582652013177 | erot = 1.77208418550972 | epot = -12.0516943786639 | etot = -8.13378367302244 -617000 ekin = 2.1676403255335 | erot = 1.78786476154915 | epot = -12.0892887588858 | etot = -8.1337836718031 -618000 ekin = 2.17543321837801 | erot = 1.79702594194235 | epot = -12.1062428306753 | etot = -8.13378367035489 -619000 ekin = 2.18765015126267 | erot = 1.80309631575683 | epot = -12.1245301362433 | etot = -8.13378366922382 -620000 ekin = 2.21827388576719 | erot = 1.80941579610045 | epot = -12.1614733506294 | etot = -8.13378366876175 -621000 ekin = 2.27256724286326 | erot = 1.81817906105047 | epot = -12.2245299729476 | etot = -8.13378366903384 -622000 ekin = 2.34686215368134 | erot = 1.82980019932889 | epot = -12.3104460228997 | etot = -8.13378366988947 -623000 ekin = 2.43079483960718 | erot = 1.84272954677985 | epot = -12.4073080574858 | etot = -8.13378367109877 -624000 ekin = 2.51074859397889 | erot = 1.85365912853719 | epot = -12.4981913948604 | etot = -8.13378367234431 -625000 ekin = 2.57376014757354 | erot = 1.85839628628492 | epot = -12.5659401070518 | etot = -8.13378367319335 -626000 ekin = 2.61178608743946 | erot = 1.85335246049266 | epot = -12.5989222212652 | etot = -8.13378367333303 -627000 ekin = 2.62439666915714 | erot = 1.83675929859779 | epot = -12.5949396405965 | etot = -8.13378367284157 -628000 ekin = 2.61715143116747 | erot = 1.80883297814572 | epot = -12.5597680815351 | etot = -8.13378367222192 -629000 ekin = 2.59614002780212 | erot = 1.77076928022058 | epot = -12.5006929799608 | etot = -8.13378367193806 -630000 ekin = 2.56316564608822 | erot = 1.72368862272812 | epot = -12.4206379408613 | etot = -8.13378367204495 -631000 ekin = 2.51545670840333 | erot = 1.66841938705302 | epot = -12.3176597677069 | etot = -8.13378367225056 -632000 ekin = 2.44898106284665 | erot = 1.60594586086193 | epot = -12.1887105959618 | etot = -8.13378367225321 -633000 ekin = 2.36287257798604 | erot = 1.537824267385 | epot = -12.0344805167293 | etot = -8.13378367135829 -634000 ekin = 2.26405242525212 | erot = 1.46623278031259 | epot = -11.86406887615 | etot = -8.13378367058526 -635000 ekin = 2.16101755721672 | erot = 1.39475566088742 | epot = -11.6895568878161 | etot = -8.13378366971194 -636000 ekin = 2.06475253332858 | erot = 1.32686506234682 | epot = -11.5254012642715 | etot = -8.13378366859611 -637000 ekin = 1.98973271037813 | erot = 1.26596624429403 | epot = -11.3894826221305 | etot = -8.1337836674583 -638000 ekin = 1.95146778323019 | erot = 1.21514985243814 | epot = -11.3004013023028 | etot = -8.13378366663451 -639000 ekin = 1.96182069136402 | erot = 1.17695161175762 | epot = -11.2725559693077 | etot = -8.13378366618603 -640000 ekin = 2.02679898932753 | erot = 1.15239183902456 | epot = -11.3129744949284 | etot = -8.13378366657635 -641000 ekin = 2.14199910312467 | erot = 1.14071086555715 | epot = -11.4164936363299 | etot = -8.13378366764812 -642000 ekin = 2.29285046318574 | erot = 1.13915186810496 | epot = -11.5657860007499 | etot = -8.13378366945922 -643000 ekin = 2.45552552113058 | erot = 1.14338828232168 | epot = -11.7326974750682 | etot = -8.13378367161592 -644000 ekin = 2.60133752584275 | erot = 1.1483536748964 | epot = -11.8834748743298 | etot = -8.1337836735906 -645000 ekin = 2.70371430393708 | erot = 1.14938437135862 | epot = -11.9868823501752 | etot = -8.13378367487955 -646000 ekin = 2.74463607559762 | erot = 1.14332224209485 | epot = -12.0217419929081 | etot = -8.13378367521562 -647000 ekin = 2.7181778723776 | erot = 1.12915792946955 | epot = -11.9811194764816 | etot = -8.13378367463448 -648000 ekin = 2.6302824606665 | erot = 1.10798613626309 | epot = -11.8720522703252 | etot = -8.13378367339563 -649000 ekin = 2.49559189348067 | erot = 1.08245328245142 | epot = -11.7118288477976 | etot = -8.1337836718655 -650000 ekin = 2.33293161555247 | erot = 1.05592857135991 | epot = -11.5226438572844 | etot = -8.13378367037205 -651000 ekin = 2.16312160403983 | erot = 1.03179243269255 | epot = -11.3286977053836 | etot = -8.13378366865123 -652000 ekin = 2.00437764472495 | erot = 1.01263346476082 | epot = -11.1507947776185 | etot = -8.13378366813275 -653000 ekin = 1.86320148187958 | erot = 0.999771298675487 | epot = -10.9967564485141 | etot = -8.13378366795902 -654000 ekin = 1.74159938814837 | erot = 0.993638993407277 | epot = -10.8690220495764 | etot = -8.13378366802077 -655000 ekin = 1.63877614369373 | erot = 0.993961110616547 | epot = -10.7665209224976 | etot = -8.13378366818728 -656000 ekin = 1.55293696393759 | erot = 0.999977751480608 | epot = -10.6866983837479 | etot = -8.1337836683297 -657000 ekin = 1.48301105565139 | erot = 1.01069155839246 | epot = -10.6274862823934 | etot = -8.13378366834955 -658000 ekin = 1.42991653833484 | erot = 1.02511295992719 | epot = -10.5888131664623 | etot = -8.13378366820028 -659000 ekin = 1.3970356213419 | erot = 1.04246417554468 | epot = -10.5732834647976 | etot = -8.13378366791104 -660000 ekin = 1.38964145712432 | erot = 1.06228082949086 | epot = -10.5857059541847 | etot = -8.13378366756947 -661000 ekin = 1.41337783441102 | erot = 1.08434723258998 | epot = -10.6315087344007 | etot = -8.13378366739969 -662000 ekin = 1.47169034618963 | erot = 1.10850483084535 | epot = -10.7139788445909 | etot = -8.13378366755594 -663000 ekin = 1.56097330114159 | erot = 1.13389735845462 | epot = -10.8286543283891 | etot = -8.13378366879291 -664000 ekin = 1.66624490139917 | erot = 1.15850228668423 | epot = -10.9585308578117 | etot = -8.13378366972827 -665000 ekin = 1.77303863683395 | erot = 1.18152952433998 | epot = -11.0883518319917 | etot = -8.13378367081779 -666000 ekin = 1.86640057269615 | erot = 1.20258304575748 | epot = -11.2027672900465 | etot = -8.13378367159284 -667000 ekin = 1.93466412848282 | erot = 1.22193419208053 | epot = -11.2903819923707 | etot = -8.13378367180735 -668000 ekin = 1.97306030166492 | erot = 1.24062017116914 | epot = -11.347464144264 | etot = -8.13378367142997 -669000 ekin = 1.98443783022521 | erot = 1.2600420212363 | epot = -11.3782635221481 | etot = -8.13378367068662 -670000 ekin = 1.97652861969381 | erot = 1.28134194903916 | epot = -11.3916542389172 | etot = -8.1337836701842 -671000 ekin = 1.95649579517304 | erot = 1.30490078082103 | epot = -11.3951802457702 | etot = -8.13378366977615 -672000 ekin = 1.92875532535182 | erot = 1.3306566086166 | epot = -11.3931956035327 | etot = -8.13378366956423 -673000 ekin = 1.89553670245284 | erot = 1.35854540533994 | epot = -11.3878657772639 | etot = -8.13378366947109 -674000 ekin = 1.85764904381115 | erot = 1.38884570044011 | epot = -11.3802784136 | etot = -8.13378366934874 -675000 ekin = 1.81704545025592 | erot = 1.42228413603649 | epot = -11.3731132555571 | etot = -8.13378366926472 -676000 ekin = 1.77505031309368 | erot = 1.45971003521918 | epot = -11.3685440174128 | etot = -8.13378366909995 -677000 ekin = 1.73347451742991 | erot = 1.50191216831867 | epot = -11.3691703547045 | etot = -8.13378366895589 -678000 ekin = 1.69449339360285 | erot = 1.5492260635729 | epot = -11.3775031260965 | etot = -8.1337836689207 -679000 ekin = 1.65969071094786 | erot = 1.60118456836937 | epot = -11.3946589483532 | etot = -8.13378366903597 -680000 ekin = 1.62957005383035 | erot = 1.6563411685726 | epot = -11.4196948916937 | etot = -8.1337836692907 -681000 ekin = 1.6036225257807 | erot = 1.71228358651525 | epot = -11.4496897819273 | etot = -8.1337836696313 -682000 ekin = 1.58083074253663 | erot = 1.76582826438537 | epot = -11.4804426769066 | etot = -8.13378366998463 -683000 ekin = 1.56032431136006 | erot = 1.81338479148306 | epot = -11.5074927731268 | etot = -8.13378367028371 -684000 ekin = 1.54183455724641 | erot = 1.85142632172379 | epot = -11.527044549801 | etot = -8.13378367083076 -685000 ekin = 1.52410759948571 | erot = 1.87642082986575 | epot = -11.5343121004891 | etot = -8.1337836711376 -686000 ekin = 1.50494379428818 | erot = 1.88570070117793 | epot = -11.5244281668713 | etot = -8.13378367140519 -687000 ekin = 1.48208036601428 | erot = 1.87831367882373 | epot = -11.4941777164487 | etot = -8.13378367161066 -688000 ekin = 1.45289287171131 | erot = 1.85497856864079 | epot = -11.4416551119996 | etot = -8.13378367164753 -689000 ekin = 1.41601907826408 | erot = 1.81811437346443 | epot = -11.3679171230719 | etot = -8.13378367134343 -690000 ekin = 1.3739477559924 | erot = 1.77166312489352 | epot = -11.2793945514479 | etot = -8.13378367056194 -691000 ekin = 1.33508615021621 | erot = 1.72071496353143 | epot = -11.1895847830839 | etot = -8.13378366933627 -692000 ekin = 1.31344376453929 | erot = 1.6709415974687 | epot = -11.1181690299597 | etot = -8.13378366795173 -693000 ekin = 1.32488046341621 | erot = 1.6278369743497 | epot = -11.0865011046549 | etot = -8.13378366688903 -694000 ekin = 1.38078608502381 | erot = 1.59583179970301 | epot = -11.1104015513567 | etot = -8.13378366662985 -695000 ekin = 1.48192861179444 | erot = 1.57745304979668 | epot = -11.1931653290032 | etot = -8.13378366741211 -696000 ekin = 1.61569966766342 | erot = 1.57278041420816 | epot = -11.3222637509667 | etot = -8.13378366909513 -697000 ekin = 1.75843097209587 | erot = 1.57943520714015 | epot = -11.471649850455 | etot = -8.13378367121893 -698000 ekin = 1.88185215227674 | erot = 1.59316882056648 | epot = -11.6088046460315 | etot = -8.13378367318828 -699000 ekin = 1.96106579209253 | erot = 1.60896306334644 | epot = -11.7038125299065 | etot = -8.1337836744675 -700000 ekin = 1.98131680917595 | erot = 1.62236339274118 | epot = -11.7374638766487 | etot = -8.13378367473154 -701000 ekin = 1.94164145671725 | erot = 1.63062825684615 | epot = -11.7060533875187 | etot = -8.13378367395526 -702000 ekin = 1.85450233234931 | erot = 1.63328569353363 | epot = -11.6215716983054 | etot = -8.13378367242241 -703000 ekin = 1.74181404905167 | erot = 1.63189519930867 | epot = -11.5074929188062 | etot = -8.13378367044582 -704000 ekin = 1.62890053400173 | erot = 1.62932624842263 | epot = -11.3920104513182 | etot = -8.13378366889386 -705000 ekin = 1.53704055732152 | erot = 1.62828297748911 | epot = -11.2991072025728 | etot = -8.13378366776214 -706000 ekin = 1.48137553858694 | erot = 1.63090498232315 | epot = -11.2460641880462 | etot = -8.13378366713615 -707000 ekin = 1.47012654293868 | erot = 1.63856880542399 | epot = -11.2424790153117 | etot = -8.13378366694904 -708000 ekin = 1.50545482966234 | erot = 1.65189802611907 | epot = -11.2911365228536 | etot = -8.13378366707216 -709000 ekin = 1.58434919620347 | erot = 1.67079586462247 | epot = -11.3889287285478 | etot = -8.13378366772188 -710000 ekin = 1.69830399765655 | erot = 1.69420639277746 | epot = -11.5262940589424 | etot = -8.13378366850841 -711000 ekin = 1.83638650821732 | erot = 1.72024670594232 | epot = -11.6904168836774 | etot = -8.13378366951779 -712000 ekin = 1.98510691893256 | erot = 1.74609277609515 | epot = -11.8649833658443 | etot = -8.13378367081663 -713000 ekin = 2.12899307615404 | erot = 1.76804611046095 | epot = -12.0308228586673 | etot = -8.13378367205227 -714000 ekin = 2.25375007876413 | erot = 1.78243264230489 | epot = -12.1699663938949 | etot = -8.13378367282586 -715000 ekin = 2.34975342438314 | erot = 1.7863212221056 | epot = -12.2698583197923 | etot = -8.13378367330359 -716000 ekin = 2.41256025258607 | erot = 1.77808812751119 | epot = -12.324432053273 | etot = -8.13378367317579 -717000 ekin = 2.44474770543516 | erot = 1.75804788170564 | epot = -12.3365792596854 | etot = -8.13378367254461 -718000 ekin = 2.45412216706064 | erot = 1.72831089164106 | epot = -12.3162167307368 | etot = -8.13378367203513 -719000 ekin = 2.44845378809372 | erot = 1.69204638289133 | epot = -12.2742838421606 | etot = -8.13378367117554 -720000 ekin = 2.4365668243011 | erot = 1.65329012907094 | epot = -12.2236406239461 | etot = -8.13378367057407 -721000 ekin = 2.42365620513951 | erot = 1.61605001925601 | epot = -12.1734898947767 | etot = -8.13378367038118 -722000 ekin = 2.40904119941647 | erot = 1.58378410656369 | epot = -12.126608976579 | etot = -8.13378367059884 -723000 ekin = 2.38647146994653 | erot = 1.55915433550815 | epot = -12.0794094765258 | etot = -8.13378367107115 -724000 ekin = 2.34659231003132 | erot = 1.54397640926854 | epot = -12.0243523908409 | etot = -8.13378367154106 -725000 ekin = 2.28077035581261 | erot = 1.5393197301854 | epot = -11.953873757743 | etot = -8.13378367174497 -726000 ekin = 2.18489434273461 | erot = 1.54571264603448 | epot = -11.8643906602776 | etot = -8.13378367150856 -727000 ekin = 2.06179491776454 | erot = 1.56339646493188 | epot = -11.7589750535044 | etot = -8.13378367080798 -728000 ekin = 1.92142302768548 | erot = 1.59252552387787 | epot = -11.6477322213536 | etot = -8.13378366979028 -729000 ekin = 1.7786316146333 | erot = 1.63318133798207 | epot = -11.5455966213522 | etot = -8.13378366873683 -730000 ekin = 1.64935549789658 | erot = 1.68520345517394 | epot = -11.4683426210542 | etot = -8.1337836679837 -731000 ekin = 1.54617340801248 | erot = 1.74777370762701 | epot = -11.4277307834108 | etot = -8.13378366777128 -732000 ekin = 1.47444012326489 | erot = 1.81876025838008 | epot = -11.4269840497947 | etot = -8.13378366814974 -733000 ekin = 1.43189319815119 | erot = 1.89484027033745 | epot = -11.4605171374918 | etot = -8.13378366900312 -734000 ekin = 1.41017780822952 | erot = 1.97174677425593 | epot = -11.515708252553 | etot = -8.13378367006758 -735000 ekin = 1.39820849327891 | erot = 2.04483940823585 | epot = -11.5768315725272 | etot = -8.13378367101241 -736000 ekin = 1.38628872347329 | erot = 2.10985363402772 | epot = -11.6299260290509 | etot = -8.13378367154989 -737000 ekin = 1.36961596697469 | erot = 2.16355925928076 | epot = -11.6669588978069 | etot = -8.1337836715514 -738000 ekin = 1.34981044649482 | erot = 2.20404797657308 | epot = -11.6876420941816 | etot = -8.13378367111375 -739000 ekin = 1.33372653206523 | erot = 2.23055395775731 | epot = -11.6980641603267 | etot = -8.13378367050419 -740000 ekin = 1.33016419302877 | erot = 2.24303198932584 | epot = -11.7069798523447 | etot = -8.13378366999008 -741000 ekin = 1.34641052653915 | erot = 2.24189336876696 | epot = -11.7220875649847 | etot = -8.13378366967855 -742000 ekin = 1.38645577652113 | erot = 2.22809836950686 | epot = -11.7483378155588 | etot = -8.13378366953076 -743000 ekin = 1.45103879196968 | erot = 2.20332817128998 | epot = -11.7881506327682 | etot = -8.13378366950853 -744000 ekin = 1.53803120218894 | erot = 2.16985299830534 | epot = -11.8416678701986 | etot = -8.1337836697043 -745000 ekin = 1.64150939163791 | erot = 2.12988595976026 | epot = -11.9051790216565 | etot = -8.13378367025834 -746000 ekin = 1.75074962763977 | erot = 2.08470317830661 | epot = -11.9692364772144 | etot = -8.13378367126806 -747000 ekin = 1.84985303110134 | erot = 2.03398729133258 | epot = -12.0176239950761 | etot = -8.13378367264215 -748000 ekin = 1.91944439122471 | erot = 1.97579729238774 | epot = -12.0290253576875 | etot = -8.13378367407507 -749000 ekin = 1.94080211585096 | erot = 1.90728805392296 | epot = -11.9818738448736 | etot = -8.13378367509966 -750000 ekin = 1.90175708673251 | erot = 1.8260222740119 | epot = -11.8615630358885 | etot = -8.13378367514405 -751000 ekin = 1.80442251326083 | erot = 1.7321012366723 | epot = -11.6703074242644 | etot = -8.13378367433124 -752000 ekin = 1.66438096324402 | erot = 1.62791173826492 | epot = -11.4260763737911 | etot = -8.13378367228214 -753000 ekin = 1.50959112389811 | erot = 1.51791168438835 | epot = -11.1612864778701 | etot = -8.13378366958362 -754000 ekin = 1.37530205550533 | erot = 1.40846180210589 | epot = -10.917547524855 | etot = -8.13378366724374 -755000 ekin = 1.29223158169242 | erot = 1.30628357859801 | epot = -10.7322988261735 | etot = -8.13378366588307 -756000 ekin = 1.27251368858831 | erot = 1.21592403404739 | epot = -10.6222213890963 | etot = -8.1337836664606 -757000 ekin = 1.30634776755577 | erot = 1.13861892043144 | epot = -10.5787503559206 | etot = -8.13378366793342 -758000 ekin = 1.37185376249201 | erot = 1.0735107377254 | epot = -10.5791481697082 | etot = -8.1337836694908 -759000 ekin = 1.44617278826226 | erot = 1.01897341844238 | epot = -10.5989298771843 | etot = -8.13378367047969 -760000 ekin = 1.51270256474667 | erot = 0.973207034231458 | epot = -10.6196932700991 | etot = -8.13378367112099 -761000 ekin = 1.56039612698439 | erot = 0.934439072339188 | epot = -10.6286188703577 | etot = -8.13378367103413 -762000 ekin = 1.58948756760659 | erot = 0.901622731991555 | epot = -10.6248939700583 | etot = -8.13378367046012 -763000 ekin = 1.60810008599209 | erot = 0.874391507900133 | epot = -10.6162752635686 | etot = -8.13378366967635 -764000 ekin = 1.62768531420419 | erot = 0.852689319812726 | epot = -10.6141583029822 | etot = -8.13378366896532 -765000 ekin = 1.65693698087077 | erot = 0.836745239166437 | epot = -10.6274658896172 | etot = -8.13378366957998 -766000 ekin = 1.70304081020932 | erot = 0.827639758125284 | epot = -10.6644642390852 | etot = -8.13378367075062 -767000 ekin = 1.76603010803272 | erot = 0.819745786965237 | epot = -10.7195595663275 | etot = -8.13378367132959 -768000 ekin = 1.83976621726717 | erot = 0.813915606792437 | epot = -10.7874654957648 | etot = -8.13378367170522 -769000 ekin = 1.91953928654938 | erot = 0.809315266629025 | epot = -10.8626382251792 | etot = -8.13378367200083 -770000 ekin = 2.00068337350057 | erot = 0.805269377227097 | epot = -10.9397364229589 | etot = -8.13378367223121 -771000 ekin = 2.0793260708523 | erot = 0.801470015569381 | epot = -11.0145797587935 | etot = -8.13378367237182 -772000 ekin = 2.1521825875434 | erot = 0.797728511870749 | epot = -11.0836947719903 | etot = -8.13378367257613 -773000 ekin = 2.21516346365885 | erot = 0.79376993219047 | epot = -11.1427170687754 | etot = -8.13378367292605 -774000 ekin = 2.26234547293474 | erot = 0.789120208349194 | epot = -11.1852493546944 | etot = -8.13378367341045 -775000 ekin = 2.28747439993112 | erot = 0.782940858144436 | epot = -11.2041989315872 | etot = -8.1337836735116 -776000 ekin = 2.28487294049721 | erot = 0.774236455855788 | epot = -11.1928930694262 | etot = -8.1337836730732 -777000 ekin = 2.25459623252881 | erot = 0.763986238623204 | epot = -11.1523661446638 | etot = -8.13378367351182 -778000 ekin = 2.19483848045462 | erot = 0.752926118502415 | epot = -11.0815482726156 | etot = -8.1337836736586 -779000 ekin = 2.10207554485975 | erot = 0.741428699363432 | epot = -10.977287917923 | etot = -8.13378367369983 -780000 ekin = 1.97507844670437 | erot = 0.730439747684415 | epot = -10.839301867892 | etot = -8.13378367350323 -781000 ekin = 1.81624237988655 | erot = 0.720681720747203 | epot = -10.6707077732028 | etot = -8.13378367256909 -782000 ekin = 1.63737679993151 | erot = 0.713965531378914 | epot = -10.4851260027838 | etot = -8.13378367147338 -783000 ekin = 1.45327094395388 | erot = 0.712334775546466 | epot = -10.299389389848 | etot = -8.13378367034762 -784000 ekin = 1.27931304186831 | erot = 0.717795316557748 | epot = -10.1308920277526 | etot = -8.13378366932659 -785000 ekin = 1.12953341827248 | erot = 0.732133377047915 | epot = -9.99545046385378 | etot = -8.13378366853338 -786000 ekin = 1.01482431815091 | erot = 0.756760281199438 | epot = -9.90536826740749 | etot = -8.13378366805715 -787000 ekin = 0.941643963920365 | erot = 0.792599099784704 | epot = -9.86802673163984 | etot = -8.13378366793477 -788000 ekin = 0.911510796402161 | erot = 0.840020856539554 | epot = -9.88531532108117 | etot = -8.13378366813946 -789000 ekin = 0.921376349382508 | erot = 0.898827357286732 | epot = -9.9539873752705 | etot = -8.13378366860126 -790000 ekin = 0.964654482904705 | erot = 0.968273092072525 | epot = -10.0667112442043 | etot = -8.13378366922705 -791000 ekin = 1.03261133422105 | erot = 1.04710148107955 | epot = -10.2134964852264 | etot = -8.13378366992578 -792000 ekin = 1.11580285051107 | erot = 1.13356945354994 | epot = -10.3831559746686 | etot = -8.13378367060757 -793000 ekin = 1.20528065130039 | erot = 1.22546277763586 | epot = -10.5645271001932 | etot = -8.13378367125697 -794000 ekin = 1.29310700791179 | erot = 1.32020213137025 | epot = -10.7470928111131 | etot = -8.13378367183103 -795000 ekin = 1.37238467376563 | erot = 1.41513363966636 | epot = -10.9213019889784 | etot = -8.13378367554645 -796000 ekin = 1.40835913094464 | erot = 1.52971390309507 | epot = -11.0718567046913 | etot = -8.13378367065162 -797000 ekin = 1.45167190325502 | erot = 1.62512604237465 | epot = -11.2105816179835 | etot = -8.1337836723538 -798000 ekin = 1.48145722831986 | erot = 1.70064689495533 | epot = -11.3158877957562 | etot = -8.13378367248102 -799000 ekin = 1.49559633326916 | erot = 1.76394329939395 | epot = -11.3933233050878 | etot = -8.13378367242471 -800000 ekin = 1.49744893756291 | erot = 1.81327291257607 | epot = -11.4445055223126 | etot = -8.13378367217361 -801000 ekin = 1.4925127928165 | erot = 1.84780559274298 | epot = -11.4741020572645 | etot = -8.13378367170498 -802000 ekin = 1.48820480026872 | erot = 1.86779013865565 | epot = -11.4897786100407 | etot = -8.13378367111629 -803000 ekin = 1.49253566038604 | erot = 1.87451451169078 | epot = -11.5008338426672 | etot = -8.13378367059038 -804000 ekin = 1.5116603542654 | erot = 1.86997050314383 | epot = -11.5154145277467 | etot = -8.13378367033752 -805000 ekin = 1.54725262768863 | erot = 1.85635941634179 | epot = -11.5373957145262 | etot = -8.13378367049577 -806000 ekin = 1.59533620631248 | erot = 1.83572111155184 | epot = -11.5648409885109 | etot = -8.13378367064658 -807000 ekin = 1.6492567216019 | erot = 1.81037056529609 | epot = -11.5934109582812 | etot = -8.13378367138325 -808000 ekin = 1.69787116905193 | erot = 1.78132459588751 | epot = -11.6129794370381 | etot = -8.13378367209867 -809000 ekin = 1.73004744223407 | erot = 1.74897468678149 | epot = -11.6128058015999 | etot = -8.13378367258439 -810000 ekin = 1.73831051792634 | erot = 1.71353607858809 | epot = -11.5856302702831 | etot = -8.13378367376865 -811000 ekin = 1.71623548890969 | erot = 1.67428462342296 | epot = -11.5243037858513 | etot = -8.13378367351866 -812000 ekin = 1.66416936448352 | erot = 1.63115164436062 | epot = -11.4291046816975 | etot = -8.13378367285341 -813000 ekin = 1.59176171306476 | erot = 1.5851340624486 | epot = -11.3106794473577 | etot = -8.13378367184436 -814000 ekin = 1.51369575694116 | erot = 1.53752063412976 | epot = -11.185000061704 | etot = -8.13378367063305 -815000 ekin = 1.4473542138359 | erot = 1.48989097526249 | epot = -11.071028858532 | etot = -8.13378366943365 -816000 ekin = 1.40949972401625 | erot = 1.44406671643194 | epot = -10.9873501089399 | etot = -8.13378366849166 -817000 ekin = 1.41268037624944 | erot = 1.40200084694995 | epot = -10.9484648912197 | etot = -8.13378366802026 -818000 ekin = 1.46212175583528 | erot = 1.36558649857364 | epot = -10.9614919225423 | etot = -8.13378366813339 -819000 ekin = 1.55434977589193 | erot = 1.33645466073199 | epot = -11.0245881053519 | etot = -8.13378366872802 -820000 ekin = 1.67879137040365 | erot = 1.3159014691983 | epot = -11.1284765091853 | etot = -8.13378366958337 -821000 ekin = 1.8210793588883 | erot = 1.30489182429338 | epot = -11.2597548536272 | etot = -8.13378367044556 -822000 ekin = 1.95294466894243 | erot = 1.31620699056062 | epot = -11.4029353290708 | etot = -8.13378366956775 -823000 ekin = 2.07449183352999 | erot = 1.34466437750312 | epot = -11.5529398817757 | etot = -8.13378367074255 -824000 ekin = 2.19907919152842 | erot = 1.36469015595358 | epot = -11.6975530184672 | etot = -8.13378367098524 -825000 ekin = 2.30563380779614 | erot = 1.39476757325172 | epot = -11.8341850522566 | etot = -8.13378367120878 -826000 ekin = 2.39103700978203 | erot = 1.43354131807091 | epot = -11.9583619996733 | etot = -8.13378367182033 -827000 ekin = 2.44908730472448 | erot = 1.47824975058638 | epot = -12.0611207277197 | etot = -8.1337836724088 -828000 ekin = 2.47400495228172 | erot = 1.52536858827836 | epot = -12.1331572136283 | etot = -8.13378367306817 -829000 ekin = 2.46026919562926 | erot = 1.57083290009567 | epot = -12.1648857693273 | etot = -8.13378367360242 -830000 ekin = 2.40417117584961 | erot = 1.61070673330611 | epot = -12.1486615829487 | etot = -8.13378367379299 -831000 ekin = 2.30626797420833 | erot = 1.64206892730812 | epot = -12.082120574964 | etot = -8.13378367344755 -832000 ekin = 2.17314973498884 | erot = 1.66378895298214 | epot = -11.9707223605709 | etot = -8.13378367259988 -833000 ekin = 2.01667883041885 | erot = 1.67684011561105 | epot = -11.8273026174356 | etot = -8.13378367140569 -834000 ekin = 1.85232718484326 | erot = 1.6837083286893 | epot = -11.669819183625 | etot = -8.13378367009244 -835000 ekin = 1.69616282533365 | erot = 1.68768571743463 | epot = -11.5176322118581 | etot = -8.13378366908985 -836000 ekin = 1.56059049333663 | erot = 1.6917613599148 | epot = -11.3861355306928 | etot = -8.13378367744136 -837000 ekin = 1.46494691499539 | erot = 1.67922598579464 | epot = -11.2779565658979 | etot = -8.13378366510789 -838000 ekin = 1.41623376476066 | erot = 1.68359587919538 | epot = -11.2336133182129 | etot = -8.13378367425683 -839000 ekin = 1.38164226028356 | erot = 1.69827238726399 | epot = -11.2136983221637 | etot = -8.13378367461619 -840000 ekin = 1.37281419732257 | erot = 1.71791872241606 | epot = -11.2245165948427 | etot = -8.13378367510411 -841000 ekin = 1.38251849215683 | erot = 1.74222357837012 | epot = -11.2585257461201 | etot = -8.13378367559319 -842000 ekin = 1.40440815973695 | erot = 1.77053653190186 | epot = -11.3087283676889 | etot = -8.13378367605013 -843000 ekin = 1.4328888997214 | erot = 1.80208713637578 | epot = -11.3687597125817 | etot = -8.13378367648452 -844000 ekin = 1.46337505878993 | erot = 1.83581425244069 | epot = -11.4329729881578 | etot = -8.13378367692717 -845000 ekin = 1.49225139044737 | erot = 1.87011931167681 | epot = -11.4961543795242 | etot = -8.13378367739996 -846000 ekin = 1.51675477556962 | erot = 1.90271354946231 | epot = -11.5532520029064 | etot = -8.13378367787448 -847000 ekin = 1.53514567668399 | erot = 1.93076451195713 | epot = -11.5996938668658 | etot = -8.13378367822471 -848000 ekin = 1.54758817225819 | erot = 1.95149729791815 | epot = -11.6328691484332 | etot = -8.13378367825685 -849000 ekin = 1.55740275371988 | erot = 1.96313933264541 | epot = -11.6543257642248 | etot = -8.13378367785951 -850000 ekin = 1.57132389451444 | erot = 1.9657229907227 | epot = -11.6708305624224 | etot = -8.13378367718527 -851000 ekin = 1.59707563447027 | erot = 1.96110149868453 | epot = -11.6919608097966 | etot = -8.13378367664177 -852000 ekin = 1.6386535077721 | erot = 1.95197424577221 | epot = -11.72441143022 | etot = -8.13378367667571 -853000 ekin = 1.69191652752201 | erot = 1.94037118765013 | epot = -11.7660713926443 | etot = -8.13378367747215 -854000 ekin = 1.74370784077224 | erot = 1.92645693844536 | epot = -11.803948457929 | etot = -8.13378367871136 -855000 ekin = 1.77620146887526 | erot = 1.90847432039789 | epot = -11.8184594692267 | etot = -8.13378367995357 -856000 ekin = 1.7743327314448 | erot = 1.88315818008924 | epot = -11.791274592039 | etot = -8.13378368050492 -857000 ekin = 1.73346273135248 | erot = 1.84735528731315 | epot = -11.714601698667 | etot = -8.1337836800014 -858000 ekin = 1.6631790333149 | erot = 1.79946643687439 | epot = -11.596429148727 | etot = -8.13378367853774 -859000 ekin = 1.58513293510716 | erot = 1.74007953867264 | epot = -11.4589961504007 | etot = -8.13378367662088 -860000 ekin = 1.5258194179029 | erot = 1.67168470765396 | epot = -11.3312878004617 | etot = -8.13378367490488 -861000 ekin = 1.50775028734954 | erot = 1.59782760931762 | epot = -11.239361570536 | etot = -8.13378367386888 -862000 ekin = 1.54306866378402 | erot = 1.52225954428065 | epot = -11.1991118817142 | etot = -8.13378367364952 -863000 ekin = 1.63171594681372 | erot = 1.44845127744695 | epot = -11.2139508983507 | etot = -8.13378367408998 -864000 ekin = 1.7636787077053 | erot = 1.37946094070234 | epot = -11.2769233233229 | etot = -8.1337836749153 -865000 ekin = 1.92306453040411 | erot = 1.31796433767429 | epot = -11.3748125439504 | etot = -8.13378367587202 -866000 ekin = 2.09215456445401 | erot = 1.2662892603518 | epot = -11.4922275013692 | etot = -8.13378367656337 -867000 ekin = 2.25558706712198 | erot = 1.22649711170717 | epot = -11.6158678561259 | etot = -8.13378367729673 -868000 ekin = 2.40057443662018 | erot = 1.2001770656327 | epot = -11.7345351800524 | etot = -8.1337836777995 -869000 ekin = 2.51819395293292 | erot = 1.18842551948431 | epot = -11.8404031504931 | etot = -8.13378367807583 -870000 ekin = 2.60380767700172 | erot = 1.19178595681351 | epot = -11.9293773120374 | etot = -8.13378367822217 -871000 ekin = 2.65597330603714 | erot = 1.21008900143108 | epot = -11.999845985796 | etot = -8.13378367832775 -872000 ekin = 2.67413391847168 | erot = 1.24223617431289 | epot = -12.0501537715192 | etot = -8.13378367873459 -873000 ekin = 2.65523813387417 | erot = 1.28590823732328 | epot = -12.0749300505625 | etot = -8.13378367936499 -874000 ekin = 2.59426343785597 | erot = 1.3376962816123 | epot = -12.0657433994964 | etot = -8.13378368002815 -875000 ekin = 2.48661885040575 | erot = 1.39359938744305 | epot = -12.0140019182113 | etot = -8.13378368036251 -876000 ekin = 2.33257163439157 | erot = 1.44985984501243 | epot = -11.9162151594034 | etot = -8.13378367999943 -877000 ekin = 2.14151731710631 | erot = 1.50380376796496 | epot = -11.7791047639004 | etot = -8.13378367882911 -878000 ekin = 1.93283200474647 | erot = 1.55419737713025 | epot = -11.6208130590663 | etot = -8.1337836771896 -879000 ekin = 1.73117573728214 | erot = 1.60084517505821 | epot = -11.4658045880898 | etot = -8.13378367574944 -880000 ekin = 1.55787151426872 | erot = 1.64373016601548 | epot = -11.3353853553398 | etot = -8.13378367505562 -881000 ekin = 1.42384142259606 | erot = 1.68244604662897 | epot = -11.2400711443575 | etot = -8.13378367513249 -882000 ekin = 1.32893688605674 | erot = 1.71640874279729 | epot = -11.1791293044113 | etot = -8.13378367555726 -883000 ekin = 1.26714280224094 | erot = 1.74554143027494 | epot = -11.1464679082473 | etot = -8.13378367573147 -884000 ekin = 1.23268823959077 | erot = 1.77071758387158 | epot = -11.1371894994132 | etot = -8.13378367595084 -885000 ekin = 1.2200884959747 | erot = 1.79312166820982 | epot = -11.1469938402947 | etot = -8.13378367611014 -886000 ekin = 1.2253247992956 | erot = 1.81382116029493 | epot = -11.1729296358337 | etot = -8.13378367624318 -887000 ekin = 1.24494548116712 | erot = 1.83336039623945 | epot = -11.2120895538739 | etot = -8.13378367646731 -888000 ekin = 1.27500212888999 | erot = 1.85168867098856 | epot = -11.2604744766324 | etot = -8.13378367675389 -889000 ekin = 1.31152735227747 | erot = 1.86844690127931 | epot = -11.3137579306641 | etot = -8.13378367710729 -890000 ekin = 1.34986317553329 | erot = 1.88304641058093 | epot = -11.3666932636424 | etot = -8.1337836775282 -891000 ekin = 1.3839053046424 | erot = 1.89468392913635 | epot = -11.4123729118684 | etot = -8.13378367808963 -892000 ekin = 1.40569396013053 | erot = 1.90226748652322 | epot = -11.4417451256677 | etot = -8.13378367901394 -893000 ekin = 1.40448288986801 | erot = 1.90432470778369 | epot = -11.4425912773581 | etot = -8.1337836797064 -894000 ekin = 1.37144289403929 | erot = 1.89954369049505 | epot = -11.4047702645262 | etot = -8.13378367999191 -895000 ekin = 1.30348485930664 | erot = 1.88750422983047 | epot = -11.3247727653154 | etot = -8.13378367617827 -896000 ekin = 1.22187337029835 | erot = 1.87071061670689 | epot = -11.2263676625211 | etot = -8.1337836755159 -897000 ekin = 1.14754845825448 | erot = 1.85263803839011 | epot = -11.1339701711517 | etot = -8.13378367450711 -898000 ekin = 1.08944016694904 | erot = 1.83653761327092 | epot = -11.0597614541448 | etot = -8.13378367392484 -899000 ekin = 1.05403951209273 | erot = 1.82413022625773 | epot = -11.011953411943 | etot = -8.13378367359249 -900000 ekin = 1.0450020339404 | erot = 1.81619426313996 | epot = -10.9949799706824 | etot = -8.13378367360205 -901000 ekin = 1.06222206974345 | erot = 1.8123440307995 | epot = -11.00834977447 | etot = -8.13378367392702 -902000 ekin = 1.10209713964134 | erot = 1.81111462891651 | epot = -11.0469954430113 | etot = -8.13378367445343 -903000 ekin = 1.1587603092597 | erot = 1.81037876556507 | epot = -11.1029227498551 | etot = -8.13378367503028 -904000 ekin = 1.22532881870644 | erot = 1.80797942304733 | epot = -11.167091917722 | etot = -8.13378367596823 -905000 ekin = 1.29206809093687 | erot = 1.80250391191856 | epot = -11.2283556793212 | etot = -8.13378367646575 -906000 ekin = 1.35183435800544 | erot = 1.79300035919407 | epot = -11.2786183939573 | etot = -8.13378367675781 -907000 ekin = 1.39979991792567 | erot = 1.77946415980363 | epot = -11.3130477546914 | etot = -8.13378367696207 -908000 ekin = 1.43268044740622 | erot = 1.76253539571741 | epot = -11.3289995201354 | etot = -8.13378367701179 -909000 ekin = 1.44897967288155 | erot = 1.74341748056142 | epot = -11.3261808303301 | etot = -8.1337836768871 -910000 ekin = 1.44937912369356 | erot = 1.7239058043588 | epot = -11.3070686046106 | etot = -8.1337836765582 -911000 ekin = 1.43727653845976 | erot = 1.70617572409734 | epot = -11.2772359386082 | etot = -8.13378367605113 -912000 ekin = 1.41843448457386 | erot = 1.69263823251178 | epot = -11.2448563925333 | etot = -8.13378367544766 -913000 ekin = 1.40006194335826 | erot = 1.68549440996254 | epot = -11.219340028189 | etot = -8.13378367486818 -914000 ekin = 1.38958826340962 | erot = 1.68634774665863 | epot = -11.2097196845425 | etot = -8.13378367447423 -915000 ekin = 1.39244841715371 | erot = 1.69595180443263 | epot = -11.2221838960024 | etot = -8.13378367441611 -916000 ekin = 1.41015014542681 | erot = 1.71401831969293 | epot = -11.2579521398906 | etot = -8.13378367477087 -917000 ekin = 1.43929629472159 | erot = 1.73916764013911 | epot = -11.3122476103546 | etot = -8.13378367549387 -918000 ekin = 1.47227942648434 | erot = 1.76903078852711 | epot = -11.3750938914124 | etot = -8.13378367640095 -919000 ekin = 1.49986621630205 | erot = 1.80052098852101 | epot = -11.4341708820097 | etot = -8.13378367718661 -920000 ekin = 1.51501277028694 | erot = 1.83027923246248 | epot = -11.4790756803414 | etot = -8.13378367759202 -921000 ekin = 1.50567012615991 | erot = 1.85806253090208 | epot = -11.4975163339096 | etot = -8.13378367684761 -922000 ekin = 1.50530570245739 | erot = 1.88405749181968 | epot = -11.5231468708985 | etot = -8.13378367662144 -923000 ekin = 1.51005072244233 | erot = 1.89398296760205 | epot = -11.5378173658999 | etot = -8.1337836758555 -924000 ekin = 1.52928061195711 | erot = 1.89561779694766 | epot = -11.5586820843414 | etot = -8.13378367543667 -925000 ekin = 1.56873673302537 | erot = 1.88910082632994 | epot = -11.5916212350735 | etot = -8.13378367571823 -926000 ekin = 1.62371911834086 | erot = 1.8742965074208 | epot = -11.6317993024452 | etot = -8.13378367668352 -927000 ekin = 1.6795236866305 | erot = 1.85068760891983 | epot = -11.6639949735082 | etot = -8.1337836779579 -928000 ekin = 1.71651231952588 | erot = 1.81783745817294 | epot = -11.6681334567321 | etot = -8.13378367903323 -929000 ekin = 1.71702543069574 | erot = 1.77614095715146 | epot = -11.6269500673553 | etot = -8.13378367950806 -930000 ekin = 1.67099557389431 | erot = 1.72742889140267 | epot = -11.5322081445003 | etot = -8.13378367920327 -931000 ekin = 1.57874462156784 | erot = 1.67513458192321 | epot = -11.3876628816592 | etot = -8.13378367816811 -932000 ekin = 1.45079207958407 | erot = 1.62392798648941 | epot = -11.2085037426999 | etot = -8.1337836766264 -933000 ekin = 1.30531755780527 | erot = 1.57894109373394 | epot = -11.0180423264354 | etot = -8.13378367489618 -934000 ekin = 1.16422088428368 | erot = 1.544858025167 | epot = -10.8428625827474 | etot = -8.13378367329673 -935000 ekin = 1.04864497491883 | erot = 1.52509208962212 | epot = -10.7075207367029 | etot = -8.13378367216191 -936000 ekin = 0.974709277892456 | erot = 1.52116327886444 | epot = -10.6296562284413 | etot = -8.13378367168442 -937000 ekin = 0.950462282699206 | erot = 1.53244919527065 | epot = -10.6166951499291 | etot = -8.13378367195924 -938000 ekin = 0.97442129434101 | erot = 1.55616007066893 | epot = -10.6643650379523 | etot = -8.13378367294238 -939000 ekin = 1.03606886860143 | erot = 1.5875544961391 | epot = -10.7574070391953 | etot = -8.13378367445473 -940000 ekin = 1.11826841072441 | erot = 1.62042989086924 | epot = -10.87248197779 | etot = -8.13378367619637 -941000 ekin = 1.20122028646586 | erot = 1.64794232140889 | epot = -10.9829462856615 | etot = -8.1337836777867 -942000 ekin = 1.26717763757466 | erot = 1.66371923923732 | epot = -11.0646805556957 | etot = -8.1337836788837 -943000 ekin = 1.30509212517541 | erot = 1.66314531275945 | epot = -11.1020211170585 | etot = -8.1337836791236 -944000 ekin = 1.31392377909568 | erot = 1.6444967095031 | epot = -11.0922041671166 | etot = -8.13378367851778 -945000 ekin = 1.30237464447606 | erot = 1.60929976289052 | epot = -11.0454580847159 | etot = -8.1337836773493 -946000 ekin = 1.28506402487981 | erot = 1.56181036971556 | epot = -10.9806580707093 | etot = -8.13378367611393 -947000 ekin = 1.27634123210311 | erot = 1.50774431650837 | epot = -10.9178692238925 | etot = -8.13378367528105 -948000 ekin = 1.28467886299738 | erot = 1.45281196885876 | epot = -10.8712745069228 | etot = -8.13378367506665 -949000 ekin = 1.31037739903363 | erot = 1.40157240203181 | epot = -10.8457334764408 | etot = -8.13378367537539 -950000 ekin = 1.34722619695783 | erot = 1.35688689444993 | epot = -10.8378967673358 | etot = -8.13378367592802 -951000 ekin = 1.38650860370093 | erot = 1.31991933135893 | epot = -10.840211611492 | etot = -8.13378367643213 -952000 ekin = 1.42144708622155 | erot = 1.29081153506588 | epot = -10.8460422979201 | etot = -8.13378367663271 -953000 ekin = 1.44882630051411 | erot = 1.26905801196778 | epot = -10.8516679892333 | etot = -8.13378367675142 -954000 ekin = 1.46839021254268 | erot = 1.25288009220816 | epot = -10.8550539813261 | etot = -8.13378367657522 -955000 ekin = 1.48389177673435 | erot = 1.24071489184941 | epot = -10.8583903448629 | etot = -8.13378367627912 -956000 ekin = 1.50041047770887 | erot = 1.23152279657232 | epot = -10.8657169503619 | etot = -8.1337836760807 -957000 ekin = 1.52124212852808 | erot = 1.22481047930208 | epot = -10.8798362839283 | etot = -8.13378367609813 -958000 ekin = 1.54632228543432 | erot = 1.22051885841469 | epot = -10.9006248201102 | etot = -8.13378367626118 -959000 ekin = 1.57324295423106 | erot = 1.21891910094093 | epot = -10.9259457315457 | etot = -8.13378367637367 -960000 ekin = 1.5996920706753 | erot = 1.22060655686446 | epot = -10.9540823039303 | etot = -8.13378367639055 -961000 ekin = 1.62253441756759 | erot = 1.22677323061705 | epot = -10.9830913244504 | etot = -8.13378367626578 -962000 ekin = 1.64127229965138 | erot = 1.23851880733041 | epot = -11.0135747831078 | etot = -8.13378367612602 -963000 ekin = 1.65616191357312 | erot = 1.25678968713549 | epot = -11.0467352768565 | etot = -8.13378367614791 -964000 ekin = 1.66566514829256 | erot = 1.28218253594424 | epot = -11.0816313604864 | etot = -8.13378367624964 -965000 ekin = 1.66770285490424 | erot = 1.31455464366941 | epot = -11.1160411751496 | etot = -8.13378367657597 -966000 ekin = 1.65810694994359 | erot = 1.35314679688918 | epot = -11.1450374236447 | etot = -8.13378367681196 -967000 ekin = 1.63401913713073 | erot = 1.39653020198003 | epot = -11.1643330160459 | etot = -8.13378367693513 -968000 ekin = 1.59493850339227 | erot = 1.442540965575 | epot = -11.1712631460351 | etot = -8.1337836770678 -969000 ekin = 1.54116623821902 | erot = 1.4883056650043 | epot = -11.1632555805643 | etot = -8.13378367734103 -970000 ekin = 1.47195250910058 | erot = 1.53048570994046 | epot = -11.1362218967524 | etot = -8.13378367771134 -971000 ekin = 1.38571362870499 | erot = 1.56593199123071 | epot = -11.0854292975477 | etot = -8.13378367761201 -972000 ekin = 1.28446124437413 | erot = 1.59277024233188 | epot = -11.0110151641592 | etot = -8.13378367745316 -973000 ekin = 1.17320809137327 | erot = 1.61049478627213 | epot = -10.9174865543348 | etot = -8.13378367668943 -974000 ekin = 1.06313421977885 | erot = 1.62023440757555 | epot = -10.817152302779 | etot = -8.13378367542463 -975000 ekin = 0.970987630503308 | erot = 1.62445058039491 | epot = -10.7292218849975 | etot = -8.13378367409932 -976000 ekin = 0.91351783525621 | erot = 1.62592320944562 | epot = -10.6732247179988 | etot = -8.13378367329698 -977000 ekin = 0.90021029821643 | erot = 1.62660680659273 | epot = -10.6606007781862 | etot = -8.13378367337705 -978000 ekin = 0.928774959207787 | erot = 1.62702792797415 | epot = -10.6895865614336 | etot = -8.13378367425169 -979000 ekin = 0.986309689641714 | erot = 1.62661906061945 | epot = -10.7467124256161 | etot = -8.1337836753549 -980000 ekin = 1.05604184570295 | erot = 1.62477777568304 | epot = -10.8146032975143 | etot = -8.13378367612831 -981000 ekin = 1.12469745200008 | erot = 1.62193499771681 | epot = -10.8804161260049 | etot = -8.13378367628802 -982000 ekin = 1.1865542248926 | erot = 1.61989865345784 | epot = -10.9402365542545 | etot = -8.13378367590405 -983000 ekin = 1.2432339331634 | erot = 1.62138932755866 | epot = -10.9984069359734 | etot = -8.13378367525139 -984000 ekin = 1.30072892332128 | erot = 1.62917854604782 | epot = -11.0636911439975 | etot = -8.13378367462839 -985000 ekin = 1.36575798919194 | erot = 1.64530549573791 | epot = -11.1448471591936 | etot = -8.13378367426372 -986000 ekin = 1.44269014525417 | erot = 1.67060135307792 | epot = -11.2470751726359 | etot = -8.13378367430377 -987000 ekin = 1.53139017761193 | erot = 1.70450616333784 | epot = -11.3696800157676 | etot = -8.13378367481778 -988000 ekin = 1.62542517056574 | erot = 1.74490462881329 | epot = -11.5041134752362 | etot = -8.13378367585715 -989000 ekin = 1.70973314425248 | erot = 1.78758053917274 | epot = -11.6310973606104 | etot = -8.1337836771852 -990000 ekin = 1.7683499066011 | erot = 1.82854801036223 | epot = -11.730681595349 | etot = -8.13378367838571 -991000 ekin = 1.78717585158857 | erot = 1.86445265737343 | epot = -11.7854121880384 | etot = -8.1337836790764 -992000 ekin = 1.75808068891151 | erot = 1.8934494734163 | epot = -11.7853138413634 | etot = -8.13378367903559 -993000 ekin = 1.68149922501318 | erot = 1.91587779110949 | epot = -11.7311606944026 | etot = -8.13378367827992 -994000 ekin = 1.56634005341962 | erot = 1.93428820717938 | epot = -11.6344119375849 | etot = -8.1337836769859 -995000 ekin = 1.42807354858172 | erot = 1.95281321369039 | epot = -11.5146704376883 | etot = -8.13378367541617 -996000 ekin = 1.28578074178168 | erot = 1.9761437456925 | epot = -11.3957081613606 | etot = -8.13378367388646 -997000 ekin = 1.15849050407734 | erot = 2.00849321115735 | epot = -11.3007673879136 | etot = -8.13378367267886 -998000 ekin = 1.06172554694373 | erot = 2.05288173933644 | epot = -11.2483909582305 | etot = -8.13378367195033 -999000 ekin = 1.00534863803133 | erot = 2.11083351367153 | epot = -11.2499658234416 | etot = -8.13378367173879 -1000000 ekin = 0.992888352708612 | erot = 2.18232107086661 | epot = -11.3089930956005 | etot = -8.13378367202523 - 1000000 0.073547285 -1.1520387 0.021139403 -1.0316105 -4.7686302e-05 64000 -Loop time of 13.2492 on 4 procs for 1000000 steps with 10 atoms - -Performance: 65211.686 tau/day, 75476.489 timesteps/s -99.6% CPU use with 4 MPI tasks x no OpenMP threads - -MPI task timing breakdown: -Section | min time | avg time | max time |%varavg| %total ---------------------------------------------------------------- -Pair | 6.234 | 7.2237 | 8.1618 | 32.7 | 54.52 -Bond | 0.27885 | 0.32412 | 0.37417 | 6.6 | 2.45 -Neigh | 0.006904 | 0.0069348 | 0.006978 | 0.0 | 0.05 -Comm | 1.795 | 1.9335 | 2.0915 | 8.3 | 14.59 -Output | 0.079751 | 0.082404 | 0.086249 | 0.8 | 0.62 -Modify | 0.58647 | 0.6283 | 0.66943 | 4.6 | 4.74 -Other | | 3.05 | | | 23.02 - -Nlocal: 2.50000 ave 3 max 2 min -Histogram: 2 0 0 0 0 0 0 0 0 2 -Nghost: 7.50000 ave 8 max 7 min -Histogram: 2 0 0 0 0 0 0 0 0 2 -Neighs: 17.5000 ave 21 max 14 min -Histogram: 1 1 0 0 0 0 0 0 1 1 - -Total # of neighbors = 70 -Ave neighs/atom = 7.0000000 -Ave special neighs/atom = 3.6000000 -Neighbor list builds = 1000 -Dangerous builds = 0 - -write_data last_config.${number}.* nocoeff -write_data last_config.3.* nocoeff -System init for write_data ... -Total wall time: 0:00:13 diff --git a/examples/PACKAGES/cgdna/examples/oxDNA2/duplex3/log.2Jul21.duplex3.g++.1 b/examples/PACKAGES/cgdna/examples/oxDNA2/duplex3/log.2Jul21.duplex3.g++.1 new file mode 100644 index 0000000000..db8afff444 --- /dev/null +++ b/examples/PACKAGES/cgdna/examples/oxDNA2/duplex3/log.2Jul21.duplex3.g++.1 @@ -0,0 +1,1181 @@ +LAMMPS (2 Jul 2021) +variable number equal 3 +variable ofreq equal 1000 +variable efreq equal 1000 +variable T equal 0.1 +variable rhos equal 0.2 + +units lj + +dimension 3 + +newton on + +boundary p p p + +atom_style hybrid bond ellipsoid oxdna +WARNING: Atom style hybrid defines both, per-type and per-atom masses; both must be set, but only per-atom masses will be used (../atom_vec_hybrid.cpp:157) +atom_modify sort 0 1.0 + +# Pair interactions require lists of neighbours to be calculated +neighbor 2.0 bin +neigh_modify every 1 delay 0 check yes + +read_data data.duplex3 +Reading data file ... + orthogonal box = (-20.000000 -20.000000 -20.000000) to (20.000000 20.000000 20.000000) + 1 by 1 by 1 MPI processor grid + reading atoms ... + 10 atoms + reading velocities ... + 10 velocities + scanning bonds ... + 1 = max bonds/atom + 10 ellipsoids + reading bonds ... + 8 bonds +Finding 1-2 1-3 1-4 neighbors ... + special bond factors lj: 0 0 0 + special bond factors coul: 0 0 0 + 2 = max # of 1-2 neighbors + 2 = max # of 1-3 neighbors + 2 = max # of 1-4 neighbors + 4 = max # of special neighbors + special bonds CPU = 0.000 seconds + read_data CPU = 0.003 seconds + +set atom * mass 1.0 +Setting atom values ... + 10 settings made for mass + +group all type 1 4 +10 atoms in group all + +# oxDNA2 bond interactions - FENE backbone +bond_style oxdna2/fene +bond_coeff * 2.0 0.25 0.7564 +special_bonds lj 0 1 1 +Finding 1-2 1-3 1-4 neighbors ... + special bond factors lj: 0 1 1 + special bond factors coul: 0 0 0 + 2 = max # of 1-2 neighbors + 2 = max # of 1-3 neighbors + 2 = max # of 1-4 neighbors + 4 = max # of special neighbors + special bonds CPU = 0.000 seconds + +# oxDNA2 pair interactions +pair_style hybrid/overlay oxdna2/excv oxdna2/stk oxdna2/hbond oxdna2/xstk oxdna2/coaxstk oxdna2/dh +pair_coeff * * oxdna2/excv 2.0 0.7 0.675 2.0 0.515 0.5 2.0 0.33 0.32 +pair_coeff * * oxdna2/stk seqdep ${T} 1.3523 2.6717 6.0 0.4 0.9 0.32 0.75 1.3 0 0.8 0.9 0 0.95 0.9 0 0.95 2.0 0.65 2.0 0.65 +pair_coeff * * oxdna2/stk seqdep 0.1 1.3523 2.6717 6.0 0.4 0.9 0.32 0.75 1.3 0 0.8 0.9 0 0.95 0.9 0 0.95 2.0 0.65 2.0 0.65 +pair_coeff * * oxdna2/hbond seqdep 0.0 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 +pair_coeff 1 4 oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 +pair_coeff 2 3 oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 +pair_coeff * * oxdna2/xstk 47.5 0.575 0.675 0.495 0.655 2.25 0.791592653589793 0.58 1.7 1.0 0.68 1.7 1.0 0.68 1.5 0 0.65 1.7 0.875 0.68 1.7 0.875 0.68 +pair_coeff * * oxdna2/coaxstk 58.5 0.4 0.6 0.22 0.58 2.0 2.891592653589793 0.65 1.3 0 0.8 0.9 0 0.95 0.9 0 0.95 40.0 3.116592653589793 +pair_coeff * * oxdna2/dh ${T} ${rhos} 0.815 +pair_coeff * * oxdna2/dh 0.1 ${rhos} 0.815 +pair_coeff * * oxdna2/dh 0.1 0.2 0.815 + +# NVE ensemble +fix 1 all nve/asphere +#fix 2 all langevin ${T} ${T} 2.5 457145 angmom 10 + +timestep 1e-5 + +#comm_style tiled +fix 3 all balance 1000 1.03 shift xyz 10 1.03 +comm_modify cutoff 3.8 + +compute quat all property/atom quatw quati quatj quatk + +compute erot all erotate/asphere +compute ekin all ke +compute epot all pe +variable erot equal c_erot +variable ekin equal c_ekin +variable epot equal c_epot +variable etot equal c_erot+c_ekin+c_epot +fix 5 all print ${efreq} "$(step) ekin = ${ekin} | erot = ${erot} | epot = ${epot} | etot = ${etot}" screen yes +fix 5 all print 1000 "$(step) ekin = ${ekin} | erot = ${erot} | epot = ${epot} | etot = ${etot}" screen yes + +dump out all custom ${ofreq} out.${number}.lammpstrj id mol type x y z ix iy iz vx vy vz c_quat[1] c_quat[2] c_quat[3] c_quat[4] angmomx angmomy angmomz +dump out all custom 1000 out.${number}.lammpstrj id mol type x y z ix iy iz vx vy vz c_quat[1] c_quat[2] c_quat[3] c_quat[4] angmomx angmomy angmomz +dump out all custom 1000 out.3.lammpstrj id mol type x y z ix iy iz vx vy vz c_quat[1] c_quat[2] c_quat[3] c_quat[4] angmomx angmomy angmomz +dump_modify out sort id +dump_modify out format line "%d %d %d %22.15le %22.15le %22.15le %d %d %d %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le" + +run 1000000 +Neighbor list info ... + update every 1 steps, delay 0 steps, check yes + max neighbors/atom: 2000, page size: 100000 + master list distance cutoff = 5.6389877 + ghost atom cutoff = 5.6389877 + binsize = 2.8194939, bins = 15 15 15 + 5 neighbor lists, perpetual/occasional/extra = 5 0 0 + (1) pair oxdna2/excv, perpetual + attributes: half, newton on + pair build: half/bin/newton + stencil: half/bin/3d + bin: standard + (2) pair oxdna2/hbond, perpetual, copy from (1) + attributes: half, newton on + pair build: copy + stencil: none + bin: none + (3) pair oxdna2/xstk, perpetual, copy from (1) + attributes: half, newton on + pair build: copy + stencil: none + bin: none + (4) pair oxdna2/coaxstk, perpetual, copy from (1) + attributes: half, newton on + pair build: copy + stencil: none + bin: none + (5) pair oxdna2/dh, perpetual, copy from (1) + attributes: half, newton on + pair build: copy + stencil: none + bin: none +WARNING: Communication cutoff adjusted to 5.638987723814632 (../comm.cpp:739) +0 ekin = 1.18025158324274 | erot = 2.17908479136507 | epot = -11.4931199991265 | etot = -8.13378362451864 +Per MPI rank memory allocation (min/avg/max) = 9.198 | 9.198 | 9.198 Mbytes +Step Temp E_pair E_mol TotEng Press Volume + 0 0.087426043 -1.2259004 0.076588446 -1.0312868 -7.7802026e-06 64000 +1000 ekin = 1.08696491147664 | erot = 2.23197650714075 | epot = -11.4527250425129 | etot = -8.13378362389549 +2000 ekin = 1.01265115460252 | erot = 2.29132031278141 | epot = -11.4377550908151 | etot = -8.13378362343119 +3000 ekin = 0.964951920610362 | erot = 2.35614244814783 | epot = -11.4548779921653 | etot = -8.13378362340706 +4000 ekin = 0.945861179227109 | erot = 2.42482489276794 | epot = -11.504469695762 | etot = -8.13378362376699 +5000 ekin = 0.952186940161594 | erot = 2.49508744948287 | epot = -11.5810580140496 | etot = -8.13378362440513 +6000 ekin = 0.976836955567339 | erot = 2.56435791368456 | epot = -11.6749784943528 | etot = -8.13378362510091 +7000 ekin = 1.01151727363105 | erot = 2.63034980765842 | epot = -11.7756507069156 | etot = -8.13378362562616 +8000 ekin = 1.04963768886898 | erot = 2.69159648304404 | epot = -11.8750177977506 | etot = -8.13378362583759 +9000 ekin = 1.08831406483925 | erot = 2.74768757650641 | epot = -11.9697852671577 | etot = -8.13378362581202 +10000 ekin = 1.12769894654433 | erot = 2.79881902231421 | epot = -12.0603015945015 | etot = -8.13378362564291 +11000 ekin = 1.16997706279097 | erot = 2.84539220453504 | epot = -12.1491528928087 | etot = -8.13378362548265 +12000 ekin = 1.21772825403564 | erot = 2.88753582693543 | epot = -12.2390477064186 | etot = -8.13378362544756 +13000 ekin = 1.27247277648631 | erot = 2.92478423931378 | epot = -12.3310406413901 | etot = -8.13378362558998 +14000 ekin = 1.33384628320074 | erot = 2.95599632290763 | epot = -12.423626232019 | etot = -8.13378362591067 +15000 ekin = 1.39936071611664 | erot = 2.97947113417333 | epot = -12.5126154766849 | etot = -8.13378362639496 +16000 ekin = 1.46443870928025 | erot = 2.99312358077431 | epot = -12.5913459174139 | etot = -8.13378362735934 +17000 ekin = 1.52113741921509 | erot = 2.99430260105838 | epot = -12.6492236482455 | etot = -8.13378362797204 +18000 ekin = 1.56143918576787 | erot = 2.98098620608846 | epot = -12.6762090203241 | etot = -8.13378362846779 +19000 ekin = 1.57873438318794 | erot = 2.9520667445456 | epot = -12.6645847564923 | etot = -8.13378362875874 +20000 ekin = 1.56841348053791 | erot = 2.9073514731296 | epot = -12.6095485824455 | etot = -8.133783628778 +21000 ekin = 1.52886464109308 | erot = 2.8476529136898 | epot = -12.5103011832754 | etot = -8.13378362849248 +22000 ekin = 1.46209217703489 | erot = 2.774783976472 | epot = -12.3706597813886 | etot = -8.13378362788177 +23000 ekin = 1.37376733102674 | erot = 2.69155728313727 | epot = -12.1991082412397 | etot = -8.13378362707572 +24000 ekin = 1.27262109890792 | erot = 2.60118350194755 | epot = -12.0075882269997 | etot = -8.13378362614425 +25000 ekin = 1.16926502294376 | erot = 2.50703692695188 | epot = -11.8100855751042 | etot = -8.13378362520854 +26000 ekin = 1.07471489945141 | erot = 2.4123584015281 | epot = -11.6208569253571 | etot = -8.13378362437762 +27000 ekin = 0.998982995755817 | erot = 2.31997753232672 | epot = -11.4527441518066 | etot = -8.13378362372404 +28000 ekin = 0.950065052892328 | erot = 2.23215621537583 | epot = -11.3160048915416 | etot = -8.13378362327344 +29000 ekin = 0.933483801722602 | erot = 2.1505610010297 | epot = -11.2178284257645 | etot = -8.13378362301223 +30000 ekin = 0.952335164336064 | erot = 2.07633501131217 | epot = -11.1624537985556 | etot = -8.13378362290736 +31000 ekin = 1.00761822011319 | erot = 2.01025995539428 | epot = -11.1516617984317 | etot = -8.13378362292422 +32000 ekin = 1.09859027316482 | erot = 1.95287201474925 | epot = -11.1852459109705 | etot = -8.13378362305645 +33000 ekin = 1.22296348257697 | erot = 1.90442653272436 | epot = -11.2611736386122 | etot = -8.13378362331083 +34000 ekin = 1.37683793249585 | erot = 1.86498336105423 | epot = -11.3756049172807 | etot = -8.13378362373066 +35000 ekin = 1.55422271443458 | erot = 1.83436013830184 | epot = -11.5223664771471 | etot = -8.13378362441064 +36000 ekin = 1.74589607048141 | erot = 1.81205442227457 | epot = -11.6917341182485 | etot = -8.13378362549247 +37000 ekin = 1.93777565280859 | erot = 1.79705197600543 | epot = -11.8686112558399 | etot = -8.13378362702585 +38000 ekin = 2.11051089015041 | erot = 1.78782890330229 | epot = -12.0321234221666 | etot = -8.13378362871388 +39000 ekin = 2.24321482588509 | erot = 1.78271510837226 | epot = -12.1597135641243 | etot = -8.1337836298669 +40000 ekin = 2.32146151921643 | erot = 1.7807328300512 | epot = -12.2359779791645 | etot = -8.13378362989691 +41000 ekin = 2.34386750101389 | erot = 1.78241563043109 | epot = -12.2600667603296 | etot = -8.1337836288846 +42000 ekin = 2.32118218527097 | erot = 1.78979050959073 | epot = -12.2447563223396 | etot = -8.13378362747785 +43000 ekin = 2.26309111555158 | erot = 1.8053926207647 | epot = -12.2022673943961 | etot = -8.13378365807986 +44000 ekin = 2.15856242114832 | erot = 1.84609032619604 | epot = -12.1384363880305 | etot = -8.13378364068615 +45000 ekin = 2.08936731003526 | erot = 1.88904724563039 | epot = -12.1121981822921 | etot = -8.1337836266264 +46000 ekin = 1.9964611597006 | erot = 1.93503982400428 | epot = -12.0652846104763 | etot = -8.13378362677143 +47000 ekin = 1.89712577412051 | erot = 1.98806984898587 | epot = -12.0189792501524 | etot = -8.133783627046 +48000 ekin = 1.79036864863103 | erot = 2.04496273496239 | epot = -11.9691150108766 | etot = -8.13378362728318 +49000 ekin = 1.67630116263937 | erot = 2.10216327906913 | epot = -11.9122480690703 | etot = -8.13378362736179 +50000 ekin = 1.55727015247065 | erot = 2.15637892895985 | epot = -11.8474327086501 | etot = -8.13378362721965 +51000 ekin = 1.43817433709145 | erot = 2.205140400327 | epot = -11.7770983642842 | etot = -8.13378362686579 +52000 ekin = 1.32596547232174 | erot = 2.24710946475012 | epot = -11.7068585634502 | etot = -8.13378362637838 +53000 ekin = 1.22848082922914 | erot = 2.28204759210385 | epot = -11.6443120472106 | etot = -8.13378362587756 +54000 ekin = 1.15295119316272 | erot = 2.31049933939892 | epot = -11.597234158045 | etot = -8.13378362548335 +55000 ekin = 1.10463170766329 | erot = 2.33334681406842 | epot = -11.5717621470128 | etot = -8.13378362528111 +56000 ekin = 1.08590799517335 | erot = 2.35139880092331 | epot = -11.5710904214035 | etot = -8.13378362530685 +57000 ekin = 1.09599893485501 | erot = 2.3651115445053 | epot = -11.5948941049136 | etot = -8.1337836255533 +58000 ekin = 1.13119803471016 | erot = 2.37445830578815 | epot = -11.6394399664722 | etot = -8.13378362597388 +59000 ekin = 1.18549837183919 | erot = 2.3789169186323 | epot = -11.6981989169901 | etot = -8.13378362651858 +60000 ekin = 1.25136230662772 | erot = 2.37755306615245 | epot = -11.7626989998985 | etot = -8.13378362711835 +61000 ekin = 1.32065657328813 | erot = 2.36917823379307 | epot = -11.8236184347912 | etot = -8.13378362771004 +62000 ekin = 1.38555350991079 | erot = 2.35258911579049 | epot = -11.8719262538939 | etot = -8.1337836281926 +63000 ekin = 1.43966787267658 | erot = 2.32682848519592 | epot = -11.9002799863548 | etot = -8.13378362848234 +64000 ekin = 1.4790950343818 | erot = 2.29144993715393 | epot = -11.9043286000689 | etot = -8.1337836285332 +65000 ekin = 1.502880497741 | erot = 2.2467096090511 | epot = -11.88337373515 | etot = -8.13378362835793 +66000 ekin = 1.51274507599024 | erot = 2.19359684182996 | epot = -11.8401255458509 | etot = -8.1337836280307 +67000 ekin = 1.51208659633021 | erot = 2.13371356874809 | epot = -11.7795837927184 | etot = -8.1337836276401 +68000 ekin = 1.50462166617951 | erot = 2.06904733139779 | epot = -11.7074526249092 | etot = -8.13378362733192 +69000 ekin = 1.49293889166158 | erot = 2.00167765430522 | epot = -11.6284001731036 | etot = -8.1337836271368 +70000 ekin = 1.47793621174641 | erot = 1.93361210060369 | epot = -11.5453319394055 | etot = -8.13378362705538 +71000 ekin = 1.45891349102845 | erot = 1.86670994694693 | epot = -11.4594070650146 | etot = -8.13378362703918 +72000 ekin = 1.43427842101622 | erot = 1.80270883809016 | epot = -11.3707708861215 | etot = -8.13378362701512 +73000 ekin = 1.40258583891026 | erot = 1.74331039193086 | epot = -11.279679857752 | etot = -8.13378362691089 +74000 ekin = 1.36359371155274 | erot = 1.69025647754912 | epot = -11.187633815782 | etot = -8.13378362668016 +75000 ekin = 1.31886252565205 | erot = 1.6453382071802 | epot = -11.0979843591715 | etot = -8.13378362633928 +76000 ekin = 1.27181692773745 | erot = 1.61030043593585 | epot = -11.0159009896012 | etot = -8.13378362592793 +77000 ekin = 1.22767338921998 | erot = 1.58670952555601 | epot = -10.9481665402833 | etot = -8.13378362550729 +78000 ekin = 1.1918742588197 | erot = 1.57555521121124 | epot = -10.9012130952115 | etot = -8.1337836251806 +79000 ekin = 1.16922470588821 | erot = 1.57716601534084 | epot = -10.880174346204 | etot = -8.13378362497499 +80000 ekin = 1.1635131219374 | erot = 1.59112852775413 | epot = -10.8884252746034 | etot = -8.1337836249119 +81000 ekin = 1.17709123428946 | erot = 1.61633850893092 | epot = -10.927213368212 | etot = -8.13378362499167 +82000 ekin = 1.21064005584029 | erot = 1.65118762576691 | epot = -10.9956113068161 | etot = -8.13378362520887 +83000 ekin = 1.26297331742736 | erot = 1.69382675572846 | epot = -11.0905836987108 | etot = -8.13378362555501 +84000 ekin = 1.33092648687662 | erot = 1.74243133123673 | epot = -11.2071414441142 | etot = -8.13378362600083 +85000 ekin = 1.40961218427365 | erot = 1.7954064033782 | epot = -11.3388022141303 | etot = -8.13378362647841 +86000 ekin = 1.49330005467923 | erot = 1.8515006441401 | epot = -11.478584325705 | etot = -8.13378362688569 +87000 ekin = 1.57653380716703 | erot = 1.90982169886827 | epot = -11.6201391333936 | etot = -8.13378362735832 +88000 ekin = 1.65416408678855 | erot = 1.96971725895485 | epot = -11.7576649732582 | etot = -8.13378362751478 +89000 ekin = 1.72360216634179 | erot = 2.03055934337534 | epot = -11.8879451373045 | etot = -8.13378362758735 +90000 ekin = 1.78500984589395 | erot = 2.09126219979607 | epot = -12.0100556734362 | etot = -8.13378362774619 +91000 ekin = 1.83789001415886 | erot = 2.15001837237363 | epot = -12.1216920145417 | etot = -8.1337836280092 +92000 ekin = 1.87517809322888 | erot = 2.20985483887525 | epot = -12.21881656028 | etot = -8.1337836281759 +93000 ekin = 1.90356384535089 | erot = 2.26204903047957 | epot = -12.2993965046574 | etot = -8.13378362882697 +94000 ekin = 1.9156664167305 | erot = 2.30892488078276 | epot = -12.3583749263607 | etot = -8.13378362884746 +95000 ekin = 1.91095769384008 | erot = 2.34997522030004 | epot = -12.3947165431006 | etot = -8.1337836289605 +96000 ekin = 1.889484024989 | erot = 2.38411475951065 | epot = -12.4073824132802 | etot = -8.1337836287806 +97000 ekin = 1.85343811133898 | erot = 2.41133046292227 | epot = -12.3985522027162 | etot = -8.13378362845492 +98000 ekin = 1.80684275230277 | erot = 2.43203206054831 | epot = -12.372658440891 | etot = -8.13378362803991 +99000 ekin = 1.75478641123179 | erot = 2.44692977736848 | epot = -12.3354998162067 | etot = -8.13378362760647 +100000 ekin = 1.69590911435708 | erot = 2.45386958409534 | epot = -12.2835623848859 | etot = -8.1337836864335 +101000 ekin = 1.68113249375231 | erot = 2.36572534112462 | epot = -12.1806414642138 | etot = -8.13378362933684 +102000 ekin = 1.7267856590017 | erot = 2.35051337712505 | epot = -12.2110826965905 | etot = -8.13378366046373 +103000 ekin = 1.68338599487708 | erot = 2.35411811039611 | epot = -12.1712877656948 | etot = -8.13378366042166 +104000 ekin = 1.64323586412858 | erot = 2.35701648102726 | epot = -12.134036005652 | etot = -8.13378366049613 +105000 ekin = 1.60584113472061 | erot = 2.35932964102255 | epot = -12.0989544363532 | etot = -8.13378366061001 +106000 ekin = 1.57044138011816 | erot = 2.3609277694323 | epot = -12.0651528102264 | etot = -8.13378366067597 +107000 ekin = 1.53705400250982 | erot = 2.36166253248201 | epot = -12.0325001956582 | etot = -8.13378366066635 +108000 ekin = 1.50696391591135 | erot = 2.361285573492 | epot = -12.0020331499847 | etot = -8.13378366058131 +109000 ekin = 1.48244426546665 | erot = 2.35938088271005 | epot = -11.9756088087053 | etot = -8.13378366052861 +110000 ekin = 1.46539913148082 | erot = 2.3553068314616 | epot = -11.9544896235797 | etot = -8.13378366063725 +111000 ekin = 1.45548748017621 | erot = 2.34818065606092 | epot = -11.9374517972409 | etot = -8.13378366100376 +112000 ekin = 1.44872729612956 | erot = 2.33695548266951 | epot = -11.9194664403753 | etot = -8.13378366157622 +113000 ekin = 1.438054955865 | erot = 2.320686955094 | epot = -11.8925255730877 | etot = -8.13378366212873 +114000 ekin = 1.41640788690883 | erot = 2.29883886662114 | epot = -11.8490304158911 | etot = -8.13378366236113 +115000 ekin = 1.38063781822087 | erot = 2.27153218573304 | epot = -11.7859536655161 | etot = -8.13378366156219 +116000 ekin = 1.33630540308419 | erot = 2.23942220246129 | epot = -11.7095112666477 | etot = -8.13378366110223 +117000 ekin = 1.29001229198315 | erot = 2.20380811829907 | epot = -11.6276040708686 | etot = -8.13378366058633 +118000 ekin = 1.24711548834727 | erot = 2.16635124019904 | epot = -11.5472503887779 | etot = -8.13378366023156 +119000 ekin = 1.21073685469435 | erot = 2.12872161390266 | epot = -11.4732421286715 | etot = -8.13378366007448 +120000 ekin = 1.18115748419452 | erot = 2.09256534610069 | epot = -11.4075064903304 | etot = -8.13378366003518 +121000 ekin = 1.15688642101106 | erot = 2.05947511288399 | epot = -11.3501451939313 | etot = -8.13378366003622 +122000 ekin = 1.13593168276773 | erot = 2.03084061403908 | epot = -11.3005559568655 | etot = -8.13378366005868 +123000 ekin = 1.11638811965945 | erot = 2.00761097209064 | epot = -11.2577827519202 | etot = -8.13378366017012 +124000 ekin = 1.09616325371745 | erot = 1.99019695902077 | epot = -11.2201438730114 | etot = -8.13378366027323 +125000 ekin = 1.07358508996133 | erot = 1.97820026039369 | epot = -11.1855690107828 | etot = -8.13378366042783 +126000 ekin = 1.047121989785 | erot = 1.97030937007241 | epot = -11.1512150205173 | etot = -8.13378366065987 +127000 ekin = 1.0156035955053 | erot = 1.96476336054352 | epot = -11.1141506168024 | etot = -8.1337836607536 +128000 ekin = 0.97928184665228 | erot = 1.95990906194963 | epot = -11.0729745693073 | etot = -8.13378366070535 +129000 ekin = 0.940294043229882 | erot = 1.95428772921566 | epot = -11.0283654329011 | etot = -8.13378366045551 +130000 ekin = 0.902735823607268 | erot = 1.94710047764773 | epot = -10.983619961355 | etot = -8.13378366010001 +131000 ekin = 0.872329759139703 | erot = 1.93820575526838 | epot = -10.9443191739569 | etot = -8.13378365954882 +132000 ekin = 0.855045600562256 | erot = 1.92803271303694 | epot = -10.9168619728694 | etot = -8.13378365927017 +133000 ekin = 0.85477556282256 | erot = 1.91694878880971 | epot = -10.9055080107084 | etot = -8.13378365907613 +134000 ekin = 0.873981086378922 | erot = 1.90549522489457 | epot = -10.9132599702531 | etot = -8.13378365897964 +135000 ekin = 0.913690181741819 | erot = 1.89429118508522 | epot = -10.9417650257941 | etot = -8.13378365896708 +136000 ekin = 0.973734451665589 | erot = 1.88395321784242 | epot = -10.9914713285353 | etot = -8.13378365902725 +137000 ekin = 1.05255313135938 | erot = 1.87488800080373 | epot = -11.0612247920055 | etot = -8.13378365984243 +138000 ekin = 1.1443524994853 | erot = 1.8662689721205 | epot = -11.1444051316852 | etot = -8.13378366007936 +139000 ekin = 1.24448357091331 | erot = 1.85821435006753 | epot = -11.2364815813234 | etot = -8.13378366034253 +140000 ekin = 1.34860347563745 | erot = 1.85113522079119 | epot = -11.333522357093 | etot = -8.1337836606644 +141000 ekin = 1.45162669266307 | erot = 1.84534635451924 | epot = -11.430756708267 | etot = -8.13378366108469 +142000 ekin = 1.54663919844505 | erot = 1.84103156950907 | epot = -11.521454429749 | etot = -8.13378366179486 +143000 ekin = 1.6247011023941 | erot = 1.83813053702613 | epot = -11.5966153018863 | etot = -8.13378366246606 +144000 ekin = 1.67710589256285 | erot = 1.83622813336416 | epot = -11.6471176890259 | etot = -8.13378366309886 +145000 ekin = 1.69650852159039 | erot = 1.83477115527459 | epot = -11.6650633403347 | etot = -8.13378366346972 +146000 ekin = 1.67998250270633 | erot = 1.8333430641869 | epot = -11.6471092301922 | etot = -8.13378366329893 +147000 ekin = 1.63255928725478 | erot = 1.83204496823007 | epot = -11.598387917878 | etot = -8.13378366239317 +148000 ekin = 1.56926257377408 | erot = 1.83182914755799 | epot = -11.534875382188 | etot = -8.1337836608559 +149000 ekin = 1.51300824977688 | erot = 1.83452727994329 | epot = -11.4813191889249 | etot = -8.13378365920474 +150000 ekin = 1.48724963784664 | erot = 1.84235837448576 | epot = -11.4633916705171 | etot = -8.13378365818466 +151000 ekin = 1.50619323822939 | erot = 1.85697474829977 | epot = -11.4969516448352 | etot = -8.13378365830607 +152000 ekin = 1.56855992602549 | erot = 1.87847282638512 | epot = -11.5808164119011 | etot = -8.13378365949048 +153000 ekin = 1.65914489646567 | erot = 1.90493735115929 | epot = -11.6978659087714 | etot = -8.13378366114644 +154000 ekin = 1.75680978950735 | erot = 1.93282846213573 | epot = -11.8234219142215 | etot = -8.13378366257846 +155000 ekin = 1.84344901658437 | erot = 1.95802697046849 | epot = -11.9352596504333 | etot = -8.1337836633804 +156000 ekin = 1.90893795388443 | erot = 1.97697594926079 | epot = -12.0196975667215 | etot = -8.13378366357624 +157000 ekin = 1.95061494385932 | erot = 1.98738512433505 | epot = -12.0717837316313 | etot = -8.13378366343689 +158000 ekin = 1.96976178337731 | erot = 1.98837447181476 | epot = -12.0919199183612 | etot = -8.13378366316915 +159000 ekin = 1.96892634677255 | erot = 1.98033790354811 | epot = -12.0830479131018 | etot = -8.13378366278114 +160000 ekin = 1.95167601805979 | erot = 1.96478101829951 | epot = -12.050240698581 | etot = -8.13378366222171 +161000 ekin = 1.92323849263822 | erot = 1.94408396543486 | epot = -12.001106119617 | etot = -8.13378366154392 +162000 ekin = 1.89012785139944 | erot = 1.92106669306913 | epot = -11.94497820536 | etot = -8.13378366089138 +163000 ekin = 1.85873206626408 | erot = 1.89844726529886 | epot = -11.8909629919524 | etot = -8.13378366038947 +164000 ekin = 1.83396756863979 | erot = 1.87841814938175 | epot = -11.8461693781077 | etot = -8.13378366008619 +165000 ekin = 1.81873657814123 | erot = 1.86247026312239 | epot = -11.8149905012202 | etot = -8.1337836599566 +166000 ekin = 1.81415764355357 | erot = 1.85144128795245 | epot = -11.7993825914515 | etot = -8.13378365994553 +167000 ekin = 1.82014338462852 | erot = 1.84569577974681 | epot = -11.7996228243664 | etot = -8.13378365999109 +168000 ekin = 1.83604973591366 | erot = 1.8453491867352 | epot = -11.8151825826933 | etot = -8.13378366004445 +169000 ekin = 1.86118807804061 | erot = 1.850477664299 | epot = -11.8454494024155 | etot = -8.13378366007584 +170000 ekin = 1.89508209492149 | erot = 1.86127600745022 | epot = -11.8901417624555 | etot = -8.13378366008374 +171000 ekin = 1.93739070093832 | erot = 1.8781392722114 | epot = -11.9493136332464 | etot = -8.13378366009671 +172000 ekin = 1.98746465492716 | erot = 1.90165699566161 | epot = -12.0229053107602 | etot = -8.13378366017142 +173000 ekin = 2.04358732260738 | erot = 1.93252470914456 | epot = -12.1098956921178 | etot = -8.13378366036586 +174000 ekin = 2.10212586880685 | erot = 1.97139111366116 | epot = -12.2073006432559 | etot = -8.13378366078787 +175000 ekin = 2.15653164019895 | erot = 2.01868623997428 | epot = -12.3090015416374 | etot = -8.13378366146419 +176000 ekin = 2.19700590631297 | erot = 2.07444517694537 | epot = -12.4052347456343 | etot = -8.13378366237597 +177000 ekin = 2.21275117726728 | erot = 2.13809655452259 | epot = -12.4846313951105 | etot = -8.13378366332058 +178000 ekin = 2.191030841378 | erot = 2.2084963736183 | epot = -12.5333108794519 | etot = -8.1337836644556 +179000 ekin = 2.05002958755708 | erot = 2.27647492405861 | epot = -12.4602881626275 | etot = -8.13378365101178 +180000 ekin = 2.00100366281088 | erot = 2.36086155180537 | epot = -12.4956488860898 | etot = -8.13378367147353 +181000 ekin = 1.82885344502827 | erot = 2.44444025932694 | epot = -12.4070773745335 | etot = -8.13378367017832 +182000 ekin = 1.62724610560602 | erot = 2.53221325513864 | epot = -12.2932430288216 | etot = -8.13378366807689 +183000 ekin = 1.42880501135674 | erot = 2.6254005853434 | epot = -12.1879892625417 | etot = -8.1337836658416 +184000 ekin = 1.26714962832119 | erot = 2.72561981850436 | epot = -12.1265531111179 | etot = -8.13378366429233 +185000 ekin = 1.16606552757954 | erot = 2.83366450732251 | epot = -12.1335136988418 | etot = -8.1337836639398 +186000 ekin = 1.13327188784872 | erot = 2.94811459460534 | epot = -12.2151701472112 | etot = -8.13378366475712 +187000 ekin = 1.16127663962544 | erot = 3.06454091657718 | epot = -12.3596012225469 | etot = -8.13378366634433 +188000 ekin = 1.23275799228605 | erot = 3.17578119614176 | epot = -12.5423228566622 | etot = -8.13378366823443 +189000 ekin = 1.32637276316036 | erot = 3.27316596760519 | epot = -12.733322400823 | etot = -8.1337836700575 +190000 ekin = 1.42100795808774 | erot = 3.34817980173636 | epot = -12.9029714313697 | etot = -8.13378367154559 +191000 ekin = 1.49794111549818 | erot = 3.39410379075351 | epot = -13.0258285788614 | etot = -8.13378367260974 +192000 ekin = 1.54262156679641 | erot = 3.40720165429243 | epot = -13.0836068940667 | etot = -8.13378367297783 +193000 ekin = 1.54797240883498 | erot = 3.38715231466168 | epot = -13.0689083961198 | etot = -8.13378367262315 +194000 ekin = 1.51467582661462 | erot = 3.33705387754773 | epot = -12.9855133757567 | etot = -8.13378367159431 +195000 ekin = 1.45101621748256 | erot = 3.26269312885266 | epot = -12.8474930164477 | etot = -8.13378367011248 +196000 ekin = 1.37083042970796 | erot = 3.17132041678952 | epot = -12.6759345150014 | etot = -8.13378366850388 +197000 ekin = 1.29009120536748 | erot = 3.07036265935845 | epot = -12.4942375317758 | etot = -8.13378366704992 +198000 ekin = 1.22364196643987 | erot = 2.96652382644046 | epot = -12.3239494587839 | etot = -8.13378366590357 +199000 ekin = 1.18307710083285 | erot = 2.86542144217805 | epot = -12.1822822081308 | etot = -8.13378366511989 +200000 ekin = 1.17564340951956 | erot = 2.7715869837879 | epot = -12.0810140580308 | etot = -8.13378366472336 +201000 ekin = 1.2035961939178 | erot = 2.68856918537222 | epot = -12.0259490440303 | etot = -8.13378366474028 +202000 ekin = 1.26374726413821 | erot = 2.61894189740096 | epot = -12.0164728267172 | etot = -8.13378366517806 +203000 ekin = 1.3475159756314 | erot = 2.56419616426486 | epot = -12.0454958058714 | etot = -8.13378366597512 +204000 ekin = 1.44203337890014 | erot = 2.52468734318962 | epot = -12.1005043890649 | etot = -8.13378366697511 +205000 ekin = 1.53246038205354 | erot = 2.49972903140538 | epot = -12.1659730814069 | etot = -8.13378366794802 +206000 ekin = 1.60510558525656 | erot = 2.487934252803 | epot = -12.226823506722 | etot = -8.13378366866242 +207000 ekin = 1.65039556723136 | erot = 2.48771410987755 | epot = -12.2718933460771 | etot = -8.13378366896824 +208000 ekin = 1.66471924263828 | erot = 2.49772662877211 | epot = -12.296229540258 | etot = -8.13378366884764 +209000 ekin = 1.65060780281931 | erot = 2.51706178773899 | epot = -12.3014532589738 | etot = -8.1337836684155 +210000 ekin = 1.61529613530101 | erot = 2.54506818372113 | epot = -12.294147986902 | etot = -8.13378366787983 +211000 ekin = 1.56815998339903 | erot = 2.58088870847291 | epot = -12.2828323593491 | etot = -8.13378366747717 +212000 ekin = 1.51779769211944 | erot = 2.62289115840009 | epot = -12.2744725179132 | etot = -8.13378366739367 +213000 ekin = 1.46970697786409 | erot = 2.66822787294334 | epot = -12.2717185184986 | etot = -8.13378366769122 +214000 ekin = 1.42551121611952 | erot = 2.71271314915572 | epot = -12.2720080334465 | etot = -8.13378366817127 +215000 ekin = 1.38449526701797 | erot = 2.75113858809842 | epot = -12.2694175238339 | etot = -8.13378366871755 +216000 ekin = 1.3461145051069 | erot = 2.77818905444625 | epot = -12.2580872284516 | etot = -8.13378366889847 +217000 ekin = 1.31348152811954 | erot = 2.78964053187663 | epot = -12.2369057285552 | etot = -8.13378366855904 +218000 ekin = 1.29458639919478 | erot = 2.7831914510914 | epot = -12.2115615182393 | etot = -8.13378366795308 +219000 ekin = 1.29978448123104 | erot = 2.7578586549423 | epot = -12.1914268036072 | etot = -8.1337836674339 +220000 ekin = 1.33694784981731 | erot = 2.71363634301963 | epot = -12.1843678601774 | etot = -8.13378366734043 +221000 ekin = 1.40745643921055 | erot = 2.65092088134267 | epot = -12.1921609882709 | etot = -8.13378366771773 +222000 ekin = 1.50572252625935 | erot = 2.57029476952289 | epot = -12.2098009641033 | etot = -8.13378366832109 +223000 ekin = 1.62210843375735 | erot = 2.47289007334103 | epot = -12.2287821759278 | etot = -8.13378366882941 +224000 ekin = 1.746793930229 | erot = 2.36097135919342 | epot = -12.2415489584551 | etot = -8.13378366903269 +225000 ekin = 1.87205636329951 | erot = 2.23842454190523 | epot = -12.2442645742132 | etot = -8.13378366900846 +226000 ekin = 1.99134598106693 | erot = 2.11064622098412 | epot = -12.2357758711294 | etot = -8.13378366907832 +227000 ekin = 2.09586639151715 | erot = 1.98364704051183 | epot = -12.2132971015584 | etot = -8.13378366952941 +228000 ekin = 2.17197666667475 | erot = 1.86293503717791 | epot = -12.1686953741916 | etot = -8.13378367033897 +229000 ekin = 2.20263173192667 | erot = 1.75265294154725 | epot = -12.0890683445911 | etot = -8.13378367111716 +230000 ekin = 2.17321554606937 | erot = 1.65532359970871 | epot = -11.9623228171299 | etot = -8.13378367135177 +231000 ekin = 2.07854920573232 | erot = 1.57213281486727 | epot = -11.7844656913365 | etot = -8.13378367073688 +232000 ekin = 1.9267119502196 | erot = 1.50340464294852 | epot = -11.5639002625325 | etot = -8.13378366936441 +233000 ekin = 1.73729705956053 | erot = 1.44896834770272 | epot = -11.3200490749324 | etot = -8.13378366766914 +234000 ekin = 1.53556953354802 | erot = 1.40834045937527 | epot = -11.0776936590032 | etot = -8.13378366607992 +235000 ekin = 1.34558700580155 | erot = 1.38078818073916 | epot = -10.8601588514749 | etot = -8.13378366493417 +236000 ekin = 1.18525206422596 | erot = 1.3657026321041 | epot = -10.6847383605466 | etot = -8.1337836642165 +237000 ekin = 1.06637029724341 | erot = 1.36251012102854 | epot = -10.5626640820866 | etot = -8.13378366381463 +238000 ekin = 0.995491212021019 | erot = 1.37070429771416 | epot = -10.4999791733993 | etot = -8.13378366366416 +239000 ekin = 0.975031518631579 | erot = 1.3897138412691 | epot = -10.4985290236698 | etot = -8.1337836637691 +240000 ekin = 1.003524239047 | erot = 1.41866034024255 | epot = -10.5559682434628 | etot = -8.13378366417323 +241000 ekin = 1.07556704774179 | erot = 1.45612900246831 | epot = -10.6654797151277 | etot = -8.13378366491761 +242000 ekin = 1.18122375067269 | erot = 1.49994629855486 | epot = -10.8149537152521 | etot = -8.13378366602455 +243000 ekin = 1.30634294707391 | erot = 1.5470333102007 | epot = -10.9871599246153 | etot = -8.13378366734069 +244000 ekin = 1.43466609576103 | erot = 1.59374373480216 | epot = -11.1621934990183 | etot = -8.1337836684551 +245000 ekin = 1.55091944171202 | erot = 1.63606515904626 | epot = -11.3207682704719 | etot = -8.13378366971362 +246000 ekin = 1.63963426714548 | erot = 1.67091688012705 | epot = -11.4443348179091 | etot = -8.13378367063655 +247000 ekin = 1.68912292676081 | erot = 1.69643192578571 | epot = -11.5193385235861 | etot = -8.1337836710396 +248000 ekin = 1.6941862336649 | erot = 1.7122329815499 | epot = -11.5402028860517 | etot = -8.13378367083691 +249000 ekin = 1.65708464249985 | erot = 1.71943097162587 | epot = -11.5102992843203 | etot = -8.13378367019458 +250000 ekin = 1.5863986468533 | erot = 1.72015982289358 | epot = -11.4403421388607 | etot = -8.13378366911384 +251000 ekin = 1.49555936407786 | erot = 1.71716072440045 | epot = -11.3465037564426 | etot = -8.13378366796434 +252000 ekin = 1.39930346630862 | erot = 1.71298107622629 | epot = -11.2460682095268 | etot = -8.13378366699192 +253000 ekin = 1.31034898359547 | erot = 1.70949093459515 | epot = -11.1536235845413 | etot = -8.13378366635073 +254000 ekin = 1.23716194123368 | erot = 1.70776552340092 | epot = -11.0787111307331 | etot = -8.13378366609854 +255000 ekin = 1.18305733845311 | erot = 1.70821467485061 | epot = -11.025055679451 | etot = -8.13378366614725 +256000 ekin = 1.14729363432842 | erot = 1.7106327515816 | epot = -10.9917100522917 | etot = -8.13378366638171 +257000 ekin = 1.12650460108729 | erot = 1.71454195552779 | epot = -10.974830223265 | etot = -8.13378366664996 +258000 ekin = 1.1166971591796 | erot = 1.71938873503289 | epot = -10.9698695610665 | etot = -8.13378366685405 +259000 ekin = 1.11461746403917 | erot = 1.72463904931066 | epot = -10.9730401803372 | etot = -8.13378366698733 +260000 ekin = 1.11796213299311 | erot = 1.72976096813936 | epot = -10.9815067682349 | etot = -8.13378366710241 +261000 ekin = 1.12495929560805 | erot = 1.73429797646796 | epot = -10.9930409392091 | etot = -8.13378366713307 +262000 ekin = 1.13415334886796 | erot = 1.73799782227173 | epot = -11.0059348383754 | etot = -8.13378366723574 +263000 ekin = 1.1441924865775 | erot = 1.74014341283954 | epot = -11.0181195666639 | etot = -8.13378366724682 +264000 ekin = 1.15486713033016 | erot = 1.74014049676713 | epot = -11.0287912942162 | etot = -8.13378366711894 +265000 ekin = 1.16757148072387 | erot = 1.73774643956152 | epot = -11.0391015871619 | etot = -8.13378366687652 +266000 ekin = 1.18492523334604 | erot = 1.73313774545366 | epot = -11.0518466453998 | etot = -8.13378366660006 +267000 ekin = 1.20976553808602 | erot = 1.7268208539035 | epot = -11.0703700583702 | etot = -8.13378366638072 +268000 ekin = 1.24403111905679 | erot = 1.71946869065397 | epot = -11.0972834759949 | etot = -8.13378366628417 +269000 ekin = 1.28796807043007 | erot = 1.71176934564011 | epot = -11.1335210824064 | etot = -8.13378366633624 +270000 ekin = 1.33984072253264 | erot = 1.70434119615532 | epot = -11.1779655852108 | etot = -8.13378366652286 +271000 ekin = 1.39615730896038 | erot = 1.69774776464757 | epot = -11.2276887403839 | etot = -8.13378366677592 +272000 ekin = 1.45234426470337 | erot = 1.69276715684432 | epot = -11.2788950886215 | etot = -8.13378366707379 +273000 ekin = 1.50368133069646 | erot = 1.68992546991196 | epot = -11.3273904679228 | etot = -8.13378366731438 +274000 ekin = 1.54639996325526 | erot = 1.68983337628827 | epot = -11.3700170069557 | etot = -8.13378366741213 +275000 ekin = 1.57877490148631 | erot = 1.69332235277275 | epot = -11.4058809215907 | etot = -8.13378366733162 +276000 ekin = 1.60168052283226 | erot = 1.70138855155399 | epot = -11.436852741484 | etot = -8.13378366709777 +277000 ekin = 1.61832490282934 | erot = 1.71502642603181 | epot = -11.4671349956638 | etot = -8.13378366680269 +278000 ekin = 1.63311060675181 | erot = 1.73495415768007 | epot = -11.5018484310108 | etot = -8.13378366657894 +279000 ekin = 1.64995273994837 | erot = 1.76130541527865 | epot = -11.5450418217717 | etot = -8.1337836665447 +280000 ekin = 1.67073877093407 | erot = 1.79339849893171 | epot = -11.5979209366107 | etot = -8.13378366674486 +281000 ekin = 1.69438407985006 | erot = 1.82970064438533 | epot = -11.6578683914565 | etot = -8.13378366722115 +282000 ekin = 1.71376506080862 | erot = 1.86795891950281 | epot = -11.7155076481303 | etot = -8.13378366781888 +283000 ekin = 1.72224450525371 | erot = 1.9052906854816 | epot = -11.7613188590757 | etot = -8.13378366834034 +284000 ekin = 1.71505262177341 | erot = 1.93881515489551 | epot = -11.7876514453545 | etot = -8.13378366868558 +285000 ekin = 1.68954869056625 | erot = 1.96608819497539 | epot = -11.7894205543634 | etot = -8.13378366882172 +286000 ekin = 1.64555137747819 | erot = 1.98537597121294 | epot = -11.7647110174642 | etot = -8.13378366877303 +287000 ekin = 1.58495470813229 | erot = 1.99578989882443 | epot = -11.7145282755479 | etot = -8.13378366859116 +288000 ekin = 1.51101761585578 | erot = 1.9972977679279 | epot = -11.6420990521131 | etot = -8.13378366832946 +289000 ekin = 1.42766231980942 | erot = 1.99063899576434 | epot = -11.5520849836069 | etot = -8.1337836680331 +290000 ekin = 1.33894501486192 | erot = 1.9771675899912 | epot = -11.4498962725844 | etot = -8.13378366773129 +291000 ekin = 1.24881721188018 | erot = 1.95864649302945 | epot = -11.3412473723313 | etot = -8.13378366742167 +292000 ekin = 1.16137515575687 | erot = 1.93702958191697 | epot = -11.2321884047288 | etot = -8.13378366705499 +293000 ekin = 1.08169833470763 | erot = 1.91427738455186 | epot = -11.1297593858162 | etot = -8.13378366655672 +294000 ekin = 1.01689863826406 | erot = 1.8922324358106 | epot = -11.0429147399714 | etot = -8.13378366589676 +295000 ekin = 0.976377352950502 | erot = 1.8725332495628 | epot = -10.9826942676913 | etot = -8.13378366517798 +296000 ekin = 0.970182395979119 | erot = 1.85650679550227 | epot = -10.9604728561376 | etot = -8.13378366465623 +297000 ekin = 1.00537151817025 | erot = 1.84499118418531 | epot = -10.9841463669809 | etot = -8.13378366462529 +298000 ekin = 1.08200534146773 | erot = 1.8381241771558 | epot = -11.0539131838573 | etot = -8.13378366523378 +299000 ekin = 1.19125189129751 | erot = 1.83519410294181 | epot = -11.1602296606154 | etot = -8.13378366637606 +300000 ekin = 1.31698721061293 | erot = 1.83465168975374 | epot = -11.2854225681136 | etot = -8.13378366774693 +301000 ekin = 1.44008784809228 | erot = 1.83433803115513 | epot = -11.4082095482398 | etot = -8.13378366899243 +302000 ekin = 1.54329548540188 | erot = 1.8319000019686 | epot = -11.5089791572097 | etot = -8.13378366983918 +303000 ekin = 1.61484992407185 | erot = 1.82529439832924 | epot = -11.5739279925551 | etot = -8.13378367015401 +304000 ekin = 1.65011047810347 | erot = 1.81324433416857 | epot = -11.5971384822046 | etot = -8.13378366993254 +305000 ekin = 1.65140814366672 | erot = 1.79549497030458 | epot = -11.5806867832613 | etot = -8.13378366929 +306000 ekin = 1.62643416627335 | erot = 1.77280218914075 | epot = -11.5330200238232 | etot = -8.13378366840907 +307000 ekin = 1.58577500467154 | erot = 1.7466850070844 | epot = -11.4662436792504 | etot = -8.1337836674945 +308000 ekin = 1.54030424866655 | erot = 1.71903801624886 | epot = -11.3931259316301 | etot = -8.13378366671474 +309000 ekin = 1.4990009105044 | erot = 1.69173690592116 | epot = -11.3245214826142 | etot = -8.13378366618868 +310000 ekin = 1.46747597212362 | erot = 1.66636932779771 | epot = -11.2676289658628 | etot = -8.13378366594147 +311000 ekin = 1.44771419446033 | erot = 1.64410448876994 | epot = -11.2256023491826 | etot = -8.13378366595238 +312000 ekin = 1.4383914186309 | erot = 1.62568199896361 | epot = -11.1978570837367 | etot = -8.13378366614219 +313000 ekin = 1.43594352564835 | erot = 1.61150443049618 | epot = -11.1812316225544 | etot = -8.1337836664099 +314000 ekin = 1.43595255616958 | erot = 1.60177116104875 | epot = -11.1715073838745 | etot = -8.13378366665619 +315000 ekin = 1.43500742740479 | erot = 1.59648896098924 | epot = -11.1652800551023 | etot = -8.13378366670831 +316000 ekin = 1.43108473245268 | erot = 1.5956580439379 | epot = -11.1605264431142 | etot = -8.13378366672358 +317000 ekin = 1.42390336283526 | erot = 1.59957952106317 | epot = -11.1572665504279 | etot = -8.13378366652945 +318000 ekin = 1.41631295378262 | erot = 1.60866819207214 | epot = -11.158764812016 | etot = -8.1337836661612 +319000 ekin = 1.41381426232535 | erot = 1.62334142232245 | epot = -11.1709393503702 | etot = -8.13378366572238 +320000 ekin = 1.42315030251777 | erot = 1.64384116840196 | epot = -11.2007751362838 | etot = -8.13378366536404 +321000 ekin = 1.45024845493823 | erot = 1.67003325939981 | epot = -11.2540653795749 | etot = -8.13378366523685 +322000 ekin = 1.49815500536655 | erot = 1.70123818171226 | epot = -11.3331768525206 | etot = -8.13378366544176 +323000 ekin = 1.56569352501989 | erot = 1.73609284126389 | epot = -11.4355700323001 | etot = -8.13378366601634 +324000 ekin = 1.64679224021427 | erot = 1.77264010659823 | epot = -11.553216013806 | etot = -8.13378366699349 +325000 ekin = 1.73163775631264 | erot = 1.80818795205361 | epot = -11.6736093764089 | etot = -8.13378366804261 +326000 ekin = 1.80750329208696 | erot = 1.8398074929546 | epot = -11.7810944543884 | etot = -8.13378366934687 +327000 ekin = 1.85797659457013 | erot = 1.86537346541894 | epot = -11.8571337303148 | etot = -8.13378367032571 +328000 ekin = 1.87027520749331 | erot = 1.88392315073132 | epot = -11.8879820288833 | etot = -8.13378367065868 +329000 ekin = 1.83949589055174 | erot = 1.89597309718727 | epot = -11.869252657917 | etot = -8.13378367017803 +330000 ekin = 1.77117100869305 | erot = 1.90323589019341 | epot = -11.8081905678819 | etot = -8.13378366899542 +331000 ekin = 1.68023517873615 | erot = 1.90771959425362 | epot = -11.7217384405342 | etot = -8.13378366754447 +332000 ekin = 1.58599656571697 | erot = 1.91066851347039 | epot = -11.630448745537 | etot = -8.13378366634961 +333000 ekin = 1.50566649891836 | erot = 1.91203797343616 | epot = -11.5514881380525 | etot = -8.13378366569794 +334000 ekin = 1.44997196059215 | erot = 1.91073772769808 | epot = -11.4944933538505 | etot = -8.13378366556023 +335000 ekin = 1.42175053141052 | erot = 1.90515605628881 | epot = -11.4606902539328 | etot = -8.13378366623347 +336000 ekin = 1.4166253105865 | erot = 1.89330033651205 | epot = -11.443709313723 | etot = -8.13378366662444 +337000 ekin = 1.42902342420092 | erot = 1.87459660541265 | epot = -11.43740369656 | etot = -8.13378366694648 +338000 ekin = 1.45347553474253 | erot = 1.84924982278892 | epot = -11.4365090247033 | etot = -8.13378366717183 +339000 ekin = 1.48532648332336 | erot = 1.81789825388445 | epot = -11.4370084045411 | etot = -8.13378366733326 +340000 ekin = 1.52068113212542 | erot = 1.78131054290141 | epot = -11.4357753425007 | etot = -8.13378366747385 +341000 ekin = 1.5560607012887 | erot = 1.74019406298323 | epot = -11.4300384318859 | etot = -8.13378366761399 +342000 ekin = 1.58819693536409 | erot = 1.69515176482787 | epot = -11.4171323679319 | etot = -8.13378366773989 +343000 ekin = 1.61415529814685 | erot = 1.64675903935067 | epot = -11.3946980053118 | etot = -8.13378366781423 +344000 ekin = 1.63171879307236 | erot = 1.59569319794419 | epot = -11.3611956588172 | etot = -8.13378366780061 +345000 ekin = 1.63976605961489 | erot = 1.5428270420927 | epot = -11.3163767694021 | etot = -8.13378366769448 +346000 ekin = 1.63837200138302 | erot = 1.48918714017029 | epot = -11.2613428090738 | etot = -8.13378366752046 +347000 ekin = 1.62852754177388 | erot = 1.4358735156518 | epot = -11.1981847247562 | etot = -8.13378366733053 +348000 ekin = 1.61158889283549 | erot = 1.38392546940706 | epot = -11.1292980294148 | etot = -8.13378366717223 +349000 ekin = 1.58873557439393 | erot = 1.33422850520796 | epot = -11.0567477466751 | etot = -8.13378366707319 +350000 ekin = 1.56064786721289 | erot = 1.28749851960141 | epot = -10.981930053846 | etot = -8.13378366703173 +351000 ekin = 1.52754191191144 | erot = 1.24434620359675 | epot = -10.9056717825216 | etot = -8.1337836670134 +352000 ekin = 1.48960299203704 | erot = 1.20538641998308 | epot = -10.8287730789798 | etot = -8.13378366695972 +353000 ekin = 1.44778264502695 | erot = 1.17134399709371 | epot = -10.752910308908 | etot = -8.13378366678732 +354000 ekin = 1.4053310095306 | erot = 1.14324844922782 | epot = -10.682363125244 | etot = -8.13378366648559 +355000 ekin = 1.36869095863183 | erot = 1.12250242069477 | epot = -10.6249770453809 | etot = -8.13378366605434 +356000 ekin = 1.34490175995297 | erot = 1.10992990778302 | epot = -10.5886153331823 | etot = -8.13378366544635 +357000 ekin = 1.34315796275824 | erot = 1.10621719879765 | epot = -10.5831588263819 | etot = -8.13378366482602 +358000 ekin = 1.37283801207744 | erot = 1.11171347587857 | epot = -10.6183351524118 | etot = -8.13378366445576 +359000 ekin = 1.43996759058201 | erot = 1.12612871057513 | epot = -10.6998799657442 | etot = -8.13378366458706 +360000 ekin = 1.5438844591394 | erot = 1.14830381564191 | epot = -10.825971940099 | etot = -8.13378366531768 +361000 ekin = 1.67586531509034 | erot = 1.17618905419233 | epot = -10.9858380358531 | etot = -8.13378366657042 +362000 ekin = 1.82005627455383 | erot = 1.20703160753447 | epot = -11.1608715500439 | etot = -8.13378366795558 +363000 ekin = 1.95850583937149 | erot = 1.23798141777832 | epot = -11.3302709261636 | etot = -8.13378366901377 +364000 ekin = 2.0758001766431 | erot = 1.26672677095262 | epot = -11.4763106177177 | etot = -8.13378367012194 +365000 ekin = 2.15891662517416 | erot = 1.29173621495748 | epot = -11.5844365106022 | etot = -8.13378367047059 +366000 ekin = 2.20238380195839 | erot = 1.31262064914847 | epot = -11.6487881213389 | etot = -8.13378367023206 +367000 ekin = 2.2085172727543 | erot = 1.33022857587956 | epot = -11.6725295182442 | etot = -8.13378366961034 +368000 ekin = 2.18513118770686 | erot = 1.34632721320096 | epot = -11.6652420696059 | etot = -8.13378366869811 +369000 ekin = 2.14321144646781 | erot = 1.36315448463404 | epot = -11.6401495989055 | etot = -8.13378366780367 +370000 ekin = 2.0938828241348 | erot = 1.38296858720496 | epot = -11.6106350785167 | etot = -8.1337836671769 +371000 ekin = 2.04539161606818 | erot = 1.40758201280334 | epot = -11.5867572956956 | etot = -8.13378366682413 +372000 ekin = 2.00261126514815 | erot = 1.43827057512772 | epot = -11.574665506942 | etot = -8.13378366666616 +373000 ekin = 1.96798302472993 | erot = 1.475845039439 | epot = -11.5776117307495 | etot = -8.13378366658054 +374000 ekin = 1.94276422015049 | erot = 1.52074221163621 | epot = -11.5972900983351 | etot = -8.13378366654844 +375000 ekin = 1.92741631545133 | erot = 1.57302624843796 | epot = -11.6342262305073 | etot = -8.13378366661803 +376000 ekin = 1.92110841836636 | erot = 1.63232320681275 | epot = -11.6872152920284 | etot = -8.13378366684932 +377000 ekin = 1.92083197489617 | erot = 1.69770894533729 | epot = -11.7523245875363 | etot = -8.1337836673028 +378000 ekin = 1.92097158011965 | erot = 1.76763055654163 | epot = -11.8223858045346 | etot = -8.13378366787334 +379000 ekin = 1.91438056916682 | erot = 1.83964318712893 | epot = -11.887807424947 | etot = -8.13378366865125 +380000 ekin = 1.89241520119269 | erot = 1.91106138176787 | epot = -11.9372602523186 | etot = -8.13378366935807 +381000 ekin = 1.847118431211 | erot = 1.97933543814399 | epot = -11.9602375392212 | etot = -8.13378366986618 +382000 ekin = 1.77364821788507 | erot = 2.04210934439902 | epot = -11.9495412323413 | etot = -8.13378367005726 +383000 ekin = 1.67178472399512 | erot = 2.09754562136631 | epot = -11.903114015185 | etot = -8.13378366982355 +384000 ekin = 1.5470955648132 | erot = 2.1443870823428 | epot = -11.8252663163759 | etot = -8.13378366921985 +385000 ekin = 1.41093432867735 | erot = 2.18184182145047 | epot = -11.7265598182841 | etot = -8.13378366815629 +386000 ekin = 1.27958936994635 | erot = 2.21051340231003 | epot = -11.6238864391457 | etot = -8.13378366688934 +387000 ekin = 1.17137861198704 | erot = 2.23163165239755 | epot = -11.5367939301752 | etot = -8.13378366579065 +388000 ekin = 1.1017978040278 | erot = 2.24634754527518 | epot = -11.4819290145306 | etot = -8.13378366522763 +389000 ekin = 1.07882148969069 | erot = 2.25505587957395 | epot = -11.4676610376653 | etot = -8.1337836684007 +390000 ekin = 1.07051570135882 | erot = 2.26936424221012 | epot = -11.4736636037183 | etot = -8.13378366014933 +391000 ekin = 1.12513305991829 | erot = 2.28557987987778 | epot = -11.5444966077486 | etot = -8.1337836679525 +392000 ekin = 1.21295440172474 | erot = 2.27063670340335 | epot = -11.6173747716335 | etot = -8.13378366650546 +393000 ekin = 1.30924312365477 | erot = 2.24076930893612 | epot = -11.683796099719 | etot = -8.13378366712811 +394000 ekin = 1.40561895760574 | erot = 2.19794335034468 | epot = -11.737345975341 | etot = -8.13378366739058 +395000 ekin = 1.49662707239207 | erot = 2.14293675801956 | epot = -11.7733474977468 | etot = -8.13378366733519 +396000 ekin = 1.58077727991366 | erot = 2.07761988891088 | epot = -11.792180835874 | etot = -8.13378366704947 +397000 ekin = 1.65955042581691 | erot = 2.00469837191009 | epot = -11.7980324643556 | etot = -8.13378366662865 +398000 ekin = 1.73622447988457 | erot = 1.92743077252824 | epot = -11.7974389185588 | etot = -8.13378366614599 +399000 ekin = 1.81471876942085 | erot = 1.84941455049417 | epot = -11.7979169856346 | etot = -8.13378366571955 +400000 ekin = 1.89831345083173 | erot = 1.77428869309119 | epot = -11.8063858093336 | etot = -8.13378366541068 +401000 ekin = 1.98857882165051 | erot = 1.70555701947522 | epot = -11.8279195064034 | etot = -8.13378366527767 +402000 ekin = 2.08469272454806 | erot = 1.64640053761174 | epot = -11.864876927493 | etot = -8.13378366533317 +403000 ekin = 2.18333492883686 | erot = 1.59947809827568 | epot = -11.9165966926833 | etot = -8.13378366557074 +404000 ekin = 2.27899469657634 | erot = 1.56671457666561 | epot = -11.9794929391001 | etot = -8.13378366585815 +405000 ekin = 2.36506409046791 | erot = 1.54904572147161 | epot = -12.0478934783885 | etot = -8.133783666449 +406000 ekin = 2.43306193249953 | erot = 1.5463043441214 | epot = -12.113149943779 | etot = -8.13378366715811 +407000 ekin = 2.47364186380652 | erot = 1.55689186412975 | epot = -12.1643173959552 | etot = -8.13378366801896 +408000 ekin = 2.47760299472659 | erot = 1.57810641384372 | epot = -12.1894930773339 | etot = -8.13378366876364 +409000 ekin = 2.4382285084277 | erot = 1.60664113475376 | epot = -12.1786533122599 | etot = -8.13378366907848 +410000 ekin = 2.35516301280443 | erot = 1.63934184028269 | epot = -12.1282885218174 | etot = -8.13378366873023 +411000 ekin = 2.23661952277391 | erot = 1.67408087730519 | epot = -12.0444840678247 | etot = -8.13378366774563 +412000 ekin = 2.0985126746209 | erot = 1.71012170017462 | epot = -11.9424180412156 | etot = -8.13378366642006 +413000 ekin = 1.9605648479408 | erot = 1.7477880401099 | epot = -11.842136553205 | etot = -8.13378366515434 +414000 ekin = 1.84128090481651 | erot = 1.78771082121978 | epot = -11.7627753903069 | etot = -8.13378366427058 +415000 ekin = 1.75390442336269 | erot = 1.8300910315431 | epot = -11.7177791188322 | etot = -8.1337836639264 +416000 ekin = 1.70439570487947 | erot = 1.8742500828549 | epot = -11.7124294518619 | etot = -8.13378366412758 +417000 ekin = 1.6913155425304 | erot = 1.91850147883522 | epot = -11.7436006861825 | etot = -8.13378366481692 +418000 ekin = 1.70689490031879 | erot = 1.96025799788586 | epot = -11.8009365639622 | etot = -8.13378366575752 +419000 ekin = 1.73962222230418 | erot = 1.99637255840534 | epot = -11.8697784474987 | etot = -8.13378366678922 +420000 ekin = 1.77669286262506 | erot = 2.02357619714827 | epot = -11.9340527274771 | etot = -8.13378366770374 +421000 ekin = 1.80657824082939 | erot = 2.03903049555573 | epot = -11.9793924047129 | etot = -8.13378366832774 +422000 ekin = 1.82111290085882 | erot = 2.04088419799503 | epot = -11.9957807674272 | etot = -8.1337836685733 +423000 ekin = 1.8164858456862 | erot = 2.02865244729792 | epot = -11.9789219614438 | etot = -8.13378366845964 +424000 ekin = 1.79301691785 | erot = 2.00326876348577 | epot = -11.93006934941 | etot = -8.1337836680742 +425000 ekin = 1.7542404696796 | erot = 1.96680784722199 | epot = -11.8548319844099 | etot = -8.13378366750835 +426000 ekin = 1.70601392329041 | erot = 1.92202692837085 | epot = -11.7618245184889 | etot = -8.13378366682768 +427000 ekin = 1.65580906012742 | erot = 1.8718698544119 | epot = -11.6614625806777 | etot = -8.13378366613836 +428000 ekin = 1.61207963969203 | erot = 1.81905558542305 | epot = -11.5649188905514 | etot = -8.13378366543629 +429000 ekin = 1.58339999422577 | erot = 1.76579893171841 | epot = -11.4829825908551 | etot = -8.13378366491096 +430000 ekin = 1.57646033947156 | erot = 1.71346152699463 | epot = -11.4237055311677 | etot = -8.1337836647015 +431000 ekin = 1.59418488210558 | erot = 1.66239892773017 | epot = -11.3903674747255 | etot = -8.13378366488974 +432000 ekin = 1.63452809771572 | erot = 1.61205574804186 | epot = -11.3803675111907 | etot = -8.13378366543315 +433000 ekin = 1.69077410976896 | erot = 1.56136635610719 | epot = -11.3859241320169 | etot = -8.13378366614078 +434000 ekin = 1.75368500742744 | erot = 1.50939558466526 | epot = -11.3968642588279 | etot = -8.13378366673519 +435000 ekin = 1.81477188941387 | erot = 1.45598133800037 | epot = -11.4045368944168 | etot = -8.13378366700251 +436000 ekin = 1.86895151228359 | erot = 1.40204530898162 | epot = -11.4047804881014 | etot = -8.13378366683618 +437000 ekin = 1.91551323813695 | erot = 1.34941425923643 | epot = -11.3987111639621 | etot = -8.1337836665887 +438000 ekin = 1.95545357706326 | erot = 1.30011080733834 | epot = -11.3893480508819 | etot = -8.1337836664803 +439000 ekin = 1.98811153075701 | erot = 1.25557284833992 | epot = -11.3774680457432 | etot = -8.13378366664629 +440000 ekin = 2.00986623436144 | erot = 1.21630204161218 | epot = -11.3599519429689 | etot = -8.1337836669953 +441000 ekin = 2.01530350765885 | erot = 1.18202297032986 | epot = -11.3311101452771 | etot = -8.13378366728841 +442000 ekin = 1.99936349679026 | erot = 1.15207873138338 | epot = -11.285225896028 | etot = -8.13378366785432 +443000 ekin = 1.95696749681617 | erot = 1.12547607064141 | epot = -11.2162272349861 | etot = -8.13378366752857 +444000 ekin = 1.89166490098894 | erot = 1.10194461448034 | epot = -11.1273931823296 | etot = -8.13378366686036 +445000 ekin = 1.81328868644648 | erot = 1.08168732032615 | epot = -11.0287596725666 | etot = -8.13378366579393 +446000 ekin = 1.73577899474597 | erot = 1.06505071492877 | epot = -10.934613374721 | etot = -8.13378366504623 +447000 ekin = 1.67093185588756 | erot = 1.05239705126936 | epot = -10.8571125714687 | etot = -8.13378366431178 +448000 ekin = 1.62911856819551 | erot = 1.04409603312636 | epot = -10.8069982651691 | etot = -8.1337836638472 +449000 ekin = 1.61731626297121 | erot = 1.04041489697142 | epot = -10.791514823704 | etot = -8.13378366376135 +450000 ekin = 1.6371169760582 | erot = 1.04135992229642 | epot = -10.8122605626996 | etot = -8.13378366434497 +451000 ekin = 1.683202581423 | erot = 1.04620824656516 | epot = -10.8631944930217 | etot = -8.13378366503355 +452000 ekin = 1.74581668011809 | erot = 1.05391169410105 | epot = -10.9335120399986 | etot = -8.13378366577951 +453000 ekin = 1.81457146100557 | erot = 1.06335165863438 | epot = -11.0117067861187 | etot = -8.13378366647873 +454000 ekin = 1.87975957938354 | erot = 1.07317402238495 | epot = -11.0867172689043 | etot = -8.13378366713579 +455000 ekin = 1.93251877587718 | erot = 1.08171623325452 | epot = -11.1480186769418 | etot = -8.13378366781011 +456000 ekin = 1.96415416826587 | erot = 1.08704156958762 | epot = -11.1849794063545 | etot = -8.13378366850104 +457000 ekin = 1.96605348076947 | erot = 1.0872339429412 | epot = -11.1870710927812 | etot = -8.13378366907053 +458000 ekin = 1.93127523760885 | erot = 1.08096076790336 | epot = -11.1460196747758 | etot = -8.1337836692636 +459000 ekin = 1.85771594839236 | erot = 1.06809531780637 | epot = -11.0595949350235 | etot = -8.13378366882475 +460000 ekin = 1.75147188083691 | erot = 1.05009293158279 | epot = -10.935348480065 | etot = -8.13378366764531 +461000 ekin = 1.62834142733994 | erot = 1.02990811326384 | epot = -10.7920332065057 | etot = -8.13378366590194 +462000 ekin = 1.51195360648057 | erot = 1.01153881174369 | epot = -10.6572760812005 | etot = -8.13378366297619 +463000 ekin = 1.43011910144001 | erot = 1.00022578453745 | epot = -10.5641285481523 | etot = -8.13378366217487 +464000 ekin = 1.39582910827648 | erot = 0.998198432076844 | epot = -10.5278112022039 | etot = -8.1337836618506 +465000 ekin = 1.41007554850293 | erot = 1.00592009003209 | epot = -10.5497793012381 | etot = -8.13378366270313 +466000 ekin = 1.46251969360747 | erot = 1.02219738030556 | epot = -10.6185007378637 | etot = -8.13378366395071 +467000 ekin = 1.49627186630975 | erot = 1.05472101821045 | epot = -10.6847765488433 | etot = -8.13378366432313 +468000 ekin = 1.51725853676438 | erot = 1.12479885660867 | epot = -10.7758410579087 | etot = -8.13378366453565 +469000 ekin = 1.58140637755938 | erot = 1.16828828959022 | epot = -10.8834783316313 | etot = -8.13378366448166 +470000 ekin = 1.60068578300076 | erot = 1.18114141021406 | epot = -10.9156108575643 | etot = -8.13378366434945 +471000 ekin = 1.59076368328042 | erot = 1.18707237247322 | epot = -10.9116197194539 | etot = -8.13378366370031 +472000 ekin = 1.5612406060142 | erot = 1.18572143101511 | epot = -10.8807456998225 | etot = -8.13378366279316 +473000 ekin = 1.52502097412807 | erot = 1.17792025681444 | epot = -10.8367248927777 | etot = -8.1337836618352 +474000 ekin = 1.49533177226926 | erot = 1.165444462138 | epot = -10.7945598953625 | etot = -8.13378366095528 +475000 ekin = 1.48386630176695 | erot = 1.15068540215814 | epot = -10.7683353641634 | etot = -8.1337836602383 +476000 ekin = 1.49971334633236 | erot = 1.13623821678217 | epot = -10.7697352228581 | etot = -8.13378365974359 +477000 ekin = 1.5487111876978 | erot = 1.12448433353011 | epot = -10.8069791813398 | etot = -8.1337836601119 +478000 ekin = 1.62953491120436 | erot = 1.11764268903856 | epot = -10.8809612604826 | etot = -8.13378366023969 +479000 ekin = 1.73735741643734 | erot = 1.11700620811583 | epot = -10.9881472852193 | etot = -8.13378366066615 +480000 ekin = 1.86556210287678 | erot = 1.12262064775425 | epot = -11.1219664120635 | etot = -8.1337836614325 +481000 ekin = 2.00121026337328 | erot = 1.13364860021549 | epot = -11.2686425499546 | etot = -8.13378368636585 +482000 ekin = 2.04617329760094 | erot = 1.16256926169772 | epot = -11.3425262237857 | etot = -8.13378366448705 +483000 ekin = 2.14335261834056 | erot = 1.21476273129688 | epot = -11.4918990325462 | etot = -8.13378368290878 +484000 ekin = 2.20270995356394 | erot = 1.23147381807205 | epot = -11.5679674446545 | etot = -8.13378367301847 +485000 ekin = 2.20682939441105 | erot = 1.23835798982356 | epot = -11.5789710574867 | etot = -8.13378367325212 +486000 ekin = 2.16589682794375 | erot = 1.24300370552104 | epot = -11.5426842062933 | etot = -8.13378367282848 +487000 ekin = 2.08668888865065 | erot = 1.24625551752377 | epot = -11.4667280780208 | etot = -8.13378367184637 +488000 ekin = 1.98386509125157 | erot = 1.24977318046877 | epot = -11.3674219422435 | etot = -8.13378367052311 +489000 ekin = 1.87707931030795 | erot = 1.25547012773927 | epot = -11.2663331072078 | etot = -8.13378366916055 +490000 ekin = 1.78677596317092 | erot = 1.26490338722197 | epot = -11.1854630185197 | etot = -8.1337836681268 +491000 ekin = 1.72903831214112 | erot = 1.27867004038315 | epot = -11.1414920203231 | etot = -8.13378366779881 +492000 ekin = 1.7103997905776 | erot = 1.29591768107408 | epot = -11.1401011400714 | etot = -8.13378366841973 +493000 ekin = 1.72454317156023 | erot = 1.31423280426865 | epot = -11.1725596457326 | etot = -8.1337836699037 +494000 ekin = 1.75332785015283 | erot = 1.33022406246729 | epot = -11.2173355843424 | etot = -8.13378367172227 +495000 ekin = 1.77349565825339 | erot = 1.34086561473228 | epot = -11.2481449460233 | etot = -8.13378367303767 +496000 ekin = 1.76725059667391 | erot = 1.34512484286612 | epot = -11.246159112691 | etot = -8.13378367315101 +497000 ekin = 1.73127637989022 | erot = 1.34494708212087 | epot = -11.2100071339734 | etot = -8.13378367196233 +498000 ekin = 1.67855000907778 | erot = 1.34489121264346 | epot = -11.1572248917577 | etot = -8.13378367003641 +499000 ekin = 1.63191747119361 | erot = 1.35056727533119 | epot = -11.1162684147384 | etot = -8.13378366821364 +500000 ekin = 1.61378359989808 | erot = 1.36676364681355 | epot = -11.1143309138627 | etot = -8.13378366715105 +501000 ekin = 1.63758101988158 | erot = 1.39609850676573 | epot = -11.1674631937488 | etot = -8.13378366710151 +502000 ekin = 1.70413807541423 | erot = 1.43847493669164 | epot = -11.2763966800733 | etot = -8.13378366796746 +503000 ekin = 1.80268297747941 | erot = 1.49115460253826 | epot = -11.4276212495095 | etot = -8.13378366949188 +504000 ekin = 1.91419549779682 | erot = 1.54914693964081 | epot = -11.5971261088649 | etot = -8.1337836714273 +505000 ekin = 2.01490443998886 | erot = 1.60576406504492 | epot = -11.7544521785742 | etot = -8.13378367354037 +506000 ekin = 2.07966541471917 | erot = 1.65345439354273 | epot = -11.8669034837012 | etot = -8.13378367543934 +507000 ekin = 2.08700353897931 | erot = 1.68517460629698 | epot = -11.9059618217544 | etot = -8.13378367647812 +508000 ekin = 2.02663352664087 | erot = 1.69625747623816 | epot = -11.8566746789476 | etot = -8.13378367606856 +509000 ekin = 1.90589064134532 | erot = 1.68599529702818 | epot = -11.7256696125605 | etot = -8.13378367418702 +510000 ekin = 1.74959091232532 | erot = 1.65787688253333 | epot = -11.5412514663247 | etot = -8.13378367146606 +511000 ekin = 1.59231955658843 | erot = 1.6182626673154 | epot = -11.3443658926804 | etot = -8.13378366877654 +512000 ekin = 1.46755856060292 | erot = 1.57434662380292 | epot = -11.1756888512875 | etot = -8.13378366688171 +513000 ekin = 1.39839916093105 | erot = 1.53234768377481 | epot = -11.0645305108152 | etot = -8.13378366610933 +514000 ekin = 1.39338903686656 | erot = 1.49706258344342 | epot = -11.0242352864652 | etot = -8.13378366615522 +515000 ekin = 1.4449515906223 | erot = 1.47110271002822 | epot = -11.0498379682114 | etot = -8.13378366756091 +516000 ekin = 1.53288312821876 | erot = 1.453570647243 | epot = -11.1202374448478 | etot = -8.133783669386 +517000 ekin = 1.63159033312891 | erot = 1.44224294472704 | epot = -11.2076169492337 | etot = -8.13378367137774 +518000 ekin = 1.7140940145624 | erot = 1.43408399435691 | epot = -11.281961682157 | etot = -8.13378367323773 +519000 ekin = 1.75665192757263 | erot = 1.42579002916731 | epot = -11.316225631737 | etot = -8.13378367499705 +520000 ekin = 1.74187345948359 | erot = 1.41504839774727 | epot = -11.2907055324355 | etot = -8.13378367520464 +521000 ekin = 1.6687170304138 | erot = 1.40071550595613 | epot = -11.2032162101188 | etot = -8.13378367374886 +522000 ekin = 1.55952182856936 | erot = 1.38339983649833 | epot = -11.0767053362068 | etot = -8.13378367113911 +523000 ekin = 1.45114556552355 | erot = 1.36568308064632 | epot = -10.9506123146269 | etot = -8.13378366845702 +524000 ekin = 1.38091842213512 | erot = 1.35134919390609 | epot = -10.8660512824867 | etot = -8.13378366644547 +525000 ekin = 1.37601425592005 | erot = 1.34456662955663 | epot = -10.8543645508867 | etot = -8.13378366541006 +526000 ekin = 1.44870428485565 | erot = 1.34909740178984 | epot = -10.9315853521561 | etot = -8.13378366551062 +527000 ekin = 1.59459863547555 | erot = 1.36714947551734 | epot = -11.0955317779066 | etot = -8.13378366691373 +528000 ekin = 1.79183405482323 | erot = 1.39841904592953 | epot = -11.3240367701711 | etot = -8.1337836694183 +529000 ekin = 2.00478978698341 | erot = 1.43972835787364 | epot = -11.5783018172279 | etot = -8.13378367237083 +530000 ekin = 2.19333795602184 | erot = 1.48552207657583 | epot = -11.8126437074866 | etot = -8.13378367488898 +531000 ekin = 2.32431476966283 | erot = 1.52928747155129 | epot = -11.9873859175035 | etot = -8.13378367628933 +532000 ekin = 2.37971447238976 | erot = 1.56539257217402 | epot = -12.0788907210184 | etot = -8.13378367645461 +533000 ekin = 2.35771666716381 | erot = 1.59048999439669 | epot = -12.0819903372243 | etot = -8.1337836756638 +534000 ekin = 2.26899715449622 | erot = 1.60407394358295 | epot = -12.0068547722117 | etot = -8.13378367413258 +535000 ekin = 2.13365177460143 | erot = 1.60831072461293 | epot = -11.8757461712372 | etot = -8.13378367202286 +536000 ekin = 1.97886376167562 | erot = 1.60719127866692 | epot = -11.7198387100714 | etot = -8.13378366972884 +537000 ekin = 1.83421887314921 | erot = 1.60523898300898 | epot = -11.5732415239224 | etot = -8.13378366776425 +538000 ekin = 1.72531720892395 | erot = 1.60632519288809 | epot = -11.465426068323 | etot = -8.13378366651098 +539000 ekin = 1.66856519905205 | erot = 1.61301472929837 | epot = -11.4153635944735 | etot = -8.13378366612308 +540000 ekin = 1.66907056567389 | erot = 1.62662968764599 | epot = -11.4294839194817 | etot = -8.1337836661618 +541000 ekin = 1.72153495926528 | erot = 1.64788745985663 | epot = -11.5032060864699 | etot = -8.13378366734799 +542000 ekin = 1.80903650496287 | erot = 1.67547869679642 | epot = -11.618298870671 | etot = -8.13378366891172 +543000 ekin = 1.90894616834964 | erot = 1.70734508947333 | epot = -11.7500749283571 | etot = -8.13378367053414 +544000 ekin = 1.99777842838976 | erot = 1.74125357780433 | epot = -11.8728156781126 | etot = -8.13378367191851 +545000 ekin = 2.05546409374046 | erot = 1.77521000036089 | epot = -11.9644577669355 | etot = -8.13378367283414 +546000 ekin = 2.06867595313242 | erot = 1.8077948360879 | epot = -12.0102544623758 | etot = -8.13378367315551 +547000 ekin = 2.03267806245285 | erot = 1.83838588997954 | epot = -12.0048476252993 | etot = -8.13378367286689 +548000 ekin = 1.95148731421026 | erot = 1.86718390882511 | epot = -11.9524548951376 | etot = -8.13378367210227 +549000 ekin = 1.83645042330075 | erot = 1.89487456520008 | epot = -11.8651086595368 | etot = -8.13378367103596 +550000 ekin = 1.70373130495655 | erot = 1.92233248820821 | epot = -11.7598474630408 | etot = -8.13378366987601 +551000 ekin = 1.57139422781638 | erot = 1.9502429186833 | epot = -11.65542081531 | etot = -8.1337836688103 +552000 ekin = 1.45663332558441 | erot = 1.97878558863207 | epot = -11.5692025822092 | etot = -8.13378366799269 +553000 ekin = 1.3733740902053 | erot = 2.00744335365976 | epot = -11.5146011114102 | etot = -8.13378366754517 +554000 ekin = 1.33029485863377 | erot = 2.0349665714564 | epot = -11.4990450976332 | etot = -8.13378366754299 +555000 ekin = 1.32945359626657 | erot = 2.05953157376384 | epot = -11.5227688380265 | etot = -8.13378366799606 +556000 ekin = 1.36589068758086 | erot = 2.07909837609607 | epot = -11.5787727324867 | etot = -8.13378366880977 +557000 ekin = 1.42857577084687 | erot = 2.09193210847203 | epot = -11.6542915491193 | etot = -8.13378366980039 +558000 ekin = 1.50275359964787 | erot = 2.09715314140285 | epot = -11.733690411781 | etot = -8.13378367073029 +559000 ekin = 1.57321830908193 | erot = 2.09511862189589 | epot = -11.8021206023721 | etot = -8.13378367139428 +560000 ekin = 1.62740172364015 | erot = 2.0874549689334 | epot = -11.8486403642998 | etot = -8.13378367172623 +561000 ekin = 1.65692416188407 | erot = 2.07666092047466 | epot = -11.867368754165 | etot = -8.1337836718063 +562000 ekin = 1.65737426356001 | erot = 2.06544534214375 | epot = -11.8566032774352 | etot = -8.13378367173146 +563000 ekin = 1.62727808427686 | erot = 2.0561555503796 | epot = -11.8172173064426 | etot = -8.1337836717861 +564000 ekin = 1.56679933055812 | erot = 2.05047511799406 | epot = -11.7510581199034 | etot = -8.13378367135121 +565000 ekin = 1.48206055328865 | erot = 2.04917576858446 | epot = -11.6650199925185 | etot = -8.13378367064534 +566000 ekin = 1.38423866544416 | erot = 2.05221850150166 | epot = -11.570240836728 | etot = -8.13378366978216 +567000 ekin = 1.28749391779805 | erot = 2.05873429505309 | epot = -11.4800118818356 | etot = -8.1337836689845 +568000 ekin = 1.2057043110348 | erot = 2.06705692033903 | epot = -11.4065448998294 | etot = -8.13378366845561 +569000 ekin = 1.14918558023836 | erot = 2.07495244466027 | epot = -11.3579216931865 | etot = -8.13378366828788 +570000 ekin = 1.12276449647263 | erot = 2.08007272962266 | epot = -11.3366208945389 | etot = -8.13378366844359 +571000 ekin = 1.12567595873366 | erot = 2.08050218013587 | epot = -11.3399618076688 | etot = -8.13378366879922 +572000 ekin = 1.15294903412069 | erot = 2.07519259344981 | epot = -11.3619252967711 | etot = -8.1337836692006 +573000 ekin = 1.19838854920248 | erot = 2.06451015558496 | epot = -11.3966823740142 | etot = -8.13378366922679 +574000 ekin = 1.25460427390538 | erot = 2.04968889738576 | epot = -11.4380768408162 | etot = -8.13378366952507 +575000 ekin = 1.3145473569659 | erot = 2.03199549862714 | epot = -11.4803265251246 | etot = -8.13378366953155 +576000 ekin = 1.37512583612256 | erot = 2.01319845741142 | epot = -11.522107962838 | etot = -8.13378366930401 +577000 ekin = 1.43682760503803 | erot = 1.99528982934627 | epot = -11.5659011033479 | etot = -8.13378366896359 +578000 ekin = 1.50235588202257 | erot = 1.98017269182707 | epot = -11.616312242474 | etot = -8.13378366862437 +579000 ekin = 1.57520818416893 | erot = 1.96938672247183 | epot = -11.6783785749987 | etot = -8.13378366835792 +580000 ekin = 1.65868462492759 | erot = 1.9639024985745 | epot = -11.7563707921412 | etot = -8.13378366863908 +581000 ekin = 1.75247311826172 | erot = 1.96419308534662 | epot = -11.8504498724713 | etot = -8.13378366886299 +582000 ekin = 1.85283782857126 | erot = 1.96967477641562 | epot = -11.9562962743646 | etot = -8.13378366937774 +583000 ekin = 1.95429754596698 | erot = 1.97826405495517 | epot = -12.0663452712462 | etot = -8.13378367032403 +584000 ekin = 2.04662916571296 | erot = 1.98631443704561 | epot = -12.1667272745288 | etot = -8.13378367177025 +585000 ekin = 2.11419694670623 | erot = 1.98862566442644 | epot = -12.2366062846708 | etot = -8.1337836735381 +586000 ekin = 2.13871236987403 | erot = 1.97915340582032 | epot = -12.251649450775 | etot = -8.13378367508065 +587000 ekin = 2.1046578324698 | erot = 1.95256271523913 | epot = -12.1910042235993 | etot = -8.13378367589034 +588000 ekin = 2.00543191748363 | erot = 1.90599988278528 | epot = -12.0452154755461 | etot = -8.13378367527722 +589000 ekin = 1.85115446103327 | erot = 1.84021509337235 | epot = -11.8251532276819 | etot = -8.13378367327628 +590000 ekin = 1.66921622807052 | erot = 1.75933351105154 | epot = -11.5623334095136 | etot = -8.13378367039159 +591000 ekin = 1.49774854837099 | erot = 1.66961531493849 | epot = -11.3011475307967 | etot = -8.13378366748726 +592000 ekin = 1.3741820859932 | erot = 1.57786762200524 | epot = -11.0858333735181 | etot = -8.13378366551967 +593000 ekin = 1.32230765433109 | erot = 1.49017042368474 | epot = -10.9462617430929 | etot = -8.13378366507706 +594000 ekin = 1.34433584580908 | erot = 1.41110289037829 | epot = -10.8892224022229 | etot = -8.13378366603555 +595000 ekin = 1.4231376214122 | erot = 1.34352894995752 | epot = -10.9004502389522 | etot = -8.13378366758252 +596000 ekin = 1.53140640357278 | erot = 1.28905714164113 | epot = -10.9542472149381 | etot = -8.13378366972416 +597000 ekin = 1.63793776665508 | erot = 1.24822708399344 | epot = -11.019948521789 | etot = -8.13378367114047 +598000 ekin = 1.71853369497956 | erot = 1.22042305585484 | epot = -11.0727404229849 | etot = -8.13378367215051 +599000 ekin = 1.75676579673314 | erot = 1.20417119499254 | epot = -11.0947206644607 | etot = -8.13378367273503 +600000 ekin = 1.74415562352347 | erot = 1.1974850125872 | epot = -11.0754243089252 | etot = -8.13378367281453 +601000 ekin = 1.68078686629012 | erot = 1.19842786468538 | epot = -11.012998403262 | etot = -8.13378367228648 +602000 ekin = 1.57592768465659 | erot = 1.20571835984221 | epot = -10.9154297156387 | etot = -8.13378367113989 +603000 ekin = 1.44736021988886 | erot = 1.21906556666659 | epot = -10.8002094561258 | etot = -8.13378366957031 +604000 ekin = 1.31829530124112 | erot = 1.23900632721008 | epot = -10.6910852964351 | etot = -8.13378366798387 +605000 ekin = 1.21203583246966 | erot = 1.26625018196441 | epot = -10.6120696811954 | etot = -8.13378366676136 +606000 ekin = 1.1471788194313 | erot = 1.30114918573804 | epot = -10.5821116711522 | etot = -8.13378366598283 +607000 ekin = 1.13493137969395 | erot = 1.34344256501628 | epot = -10.6121576106217 | etot = -8.13378366591145 +608000 ekin = 1.17769398074537 | erot = 1.39211398655978 | epot = -10.7035916336101 | etot = -8.13378366630492 +609000 ekin = 1.27083042497215 | erot = 1.44572829443106 | epot = -10.8503423864839 | etot = -8.13378366708069 +610000 ekin = 1.40359308953497 | erot = 1.50241692808096 | epot = -11.0397936861262 | etot = -8.13378366851022 +611000 ekin = 1.55996607947089 | erot = 1.55982171139299 | epot = -11.253571460632 | etot = -8.13378366976813 +612000 ekin = 1.72323074885791 | erot = 1.61567444067702 | epot = -11.4726888606289 | etot = -8.13378367109395 +613000 ekin = 1.87623356286535 | erot = 1.66732234623712 | epot = -11.677339581494 | etot = -8.13378367239149 +614000 ekin = 2.00332542687785 | erot = 1.71185786770152 | epot = -11.8489669678998 | etot = -8.13378367332043 +615000 ekin = 2.0938447106911 | erot = 1.74706892485081 | epot = -11.9746973091395 | etot = -8.1337836735976 +616000 ekin = 2.14582652012071 | erot = 1.77208418550063 | epot = -12.0516943786421 | etot = -8.13378367302075 +617000 ekin = 2.16764032551916 | erot = 1.787864761541 | epot = -12.0892887588615 | etot = -8.13378367180135 +618000 ekin = 2.17543321836323 | erot = 1.79702594193641 | epot = -12.1062428306531 | etot = -8.13378367035343 +619000 ekin = 2.18765015125133 | erot = 1.80309631575425 | epot = -12.1245301362281 | etot = -8.13378366922254 +620000 ekin = 2.21827388576285 | erot = 1.80941579610204 | epot = -12.1614733506252 | etot = -8.13378366876028 +621000 ekin = 2.27256724286815 | erot = 1.81817906105655 | epot = -12.2245299729573 | etot = -8.13378366903265 +622000 ekin = 2.34686215369527 | erot = 1.82980019933902 | epot = -12.3104460229224 | etot = -8.13378366988815 +623000 ekin = 2.43079483962716 | erot = 1.8427295467928 | epot = -12.4073080575176 | etot = -8.13378367109765 +624000 ekin = 2.5107485939996 | erot = 1.85365912855095 | epot = -12.4981913948937 | etot = -8.13378367234319 +625000 ekin = 2.57376014758943 | erot = 1.85839628629729 | epot = -12.5659401070791 | etot = -8.13378367319238 +626000 ekin = 2.61178608744741 | erot = 1.85335246050191 | epot = -12.5989222212815 | etot = -8.13378367333221 +627000 ekin = 2.62439666915785 | erot = 1.83675929860322 | epot = -12.5949396406017 | etot = -8.13378367284068 +628000 ekin = 2.61715143116438 | erot = 1.8088329781474 | epot = -12.5597680815328 | etot = -8.13378367222104 +629000 ekin = 2.59614002779832 | erot = 1.77076928021883 | epot = -12.5006929799542 | etot = -8.1337836719371 +630000 ekin = 2.56316564608462 | erot = 1.7236886227231 | epot = -12.4206379408516 | etot = -8.13378367204391 +631000 ekin = 2.51545670839933 | erot = 1.66841938704488 | epot = -12.3176597676938 | etot = -8.13378367224957 +632000 ekin = 2.44898106284144 | erot = 1.60594586085105 | epot = -12.1887105959446 | etot = -8.13378367225213 +633000 ekin = 2.36287257797916 | erot = 1.53782426737236 | epot = -12.0344805167089 | etot = -8.13378367135735 +634000 ekin = 2.26405242524496 | erot = 1.46623278029967 | epot = -11.864068876129 | etot = -8.13378367058439 +635000 ekin = 2.16101755721112 | erot = 1.39475566087583 | epot = -11.6895568877978 | etot = -8.13378366971087 +636000 ekin = 2.06475253332541 | erot = 1.3268650623379 | epot = -11.5254012642585 | etot = -8.13378366859516 +637000 ekin = 1.98973271037715 | erot = 1.26596624428881 | epot = -11.3894826221233 | etot = -8.13378366745732 +638000 ekin = 1.95146778323067 | erot = 1.21514985243714 | epot = -11.3004013023013 | etot = -8.13378366663354 +639000 ekin = 1.96182069136509 | erot = 1.17695161176092 | epot = -11.2725559693112 | etot = -8.13378366618516 +640000 ekin = 2.02679898932797 | erot = 1.15239183903173 | epot = -11.3129744949352 | etot = -8.13378366657551 +641000 ekin = 2.14199910312317 | erot = 1.14071086556715 | epot = -11.4164936363374 | etot = -8.1337836676471 +642000 ekin = 2.2928504631817 | erot = 1.13915186811625 | epot = -11.5657860007561 | etot = -8.13378366945816 +643000 ekin = 2.45552552112345 | erot = 1.1433882823325 | epot = -11.7326974750707 | etot = -8.13378367161478 +644000 ekin = 2.60133752583198 | erot = 1.148353674905 | epot = -11.8834748743264 | etot = -8.13378367358945 +645000 ekin = 2.70371430392256 | erot = 1.14938437136365 | epot = -11.9868823501647 | etot = -8.13378367487845 +646000 ekin = 2.74463607558011 | erot = 1.14332224209556 | epot = -12.0217419928901 | etot = -8.13378367521444 +647000 ekin = 2.71817787235873 | erot = 1.12915792946586 | epot = -11.9811194764579 | etot = -8.13378367463333 +648000 ekin = 2.63028246064842 | erot = 1.10798613625545 | epot = -11.8720522702983 | etot = -8.13378367339448 +649000 ekin = 2.49559189346538 | erot = 1.08245328244055 | epot = -11.7118288477703 | etot = -8.13378367186436 +650000 ekin = 2.33293161554122 | erot = 1.05592857134661 | epot = -11.5226438572585 | etot = -8.13378367037071 +651000 ekin = 2.16312160403312 | erot = 1.03179243267749 | epot = -11.3286977053606 | etot = -8.13378366864995 +652000 ekin = 2.0043776447218 | erot = 1.0126334647444 | epot = -11.1507947775976 | etot = -8.13378366813138 +653000 ekin = 1.86320148187806 | erot = 0.999771298657919 | epot = -10.9967564484937 | etot = -8.13378366795773 +654000 ekin = 1.74159938814614 | erot = 0.993638993388595 | epot = -10.8690220495541 | etot = -8.13378366801934 +655000 ekin = 1.63877614368846 | erot = 0.993961110596709 | epot = -10.7665209224708 | etot = -8.13378366818566 +656000 ekin = 1.5529369639273 | erot = 0.999977751459511 | epot = -10.6866983837148 | etot = -8.13378366832803 +657000 ekin = 1.48301105563479 | erot = 1.01069155837003 | epot = -10.6274862823526 | etot = -8.13378366834774 +658000 ekin = 1.42991653831162 | erot = 1.02511295990344 | epot = -10.5888131664135 | etot = -8.13378366819842 +659000 ekin = 1.39703562131292 | erot = 1.04246417551983 | epot = -10.5732834647419 | etot = -8.13378366790917 +660000 ekin = 1.38964145709155 | erot = 1.06228082946531 | epot = -10.5857059541244 | etot = -8.13378366756751 +661000 ekin = 1.41337783437763 | erot = 1.08434723256434 | epot = -10.6315087343399 | etot = -8.13378366739793 +662000 ekin = 1.47169034615873 | erot = 1.10850483082051 | epot = -10.7139788445335 | etot = -8.13378366755423 +663000 ekin = 1.56097330111581 | erot = 1.13389735843154 | epot = -10.8286543283384 | etot = -8.13378366879109 +664000 ekin = 1.66624490138027 | erot = 1.15850228666392 | epot = -10.9585308577707 | etot = -8.13378366972648 +665000 ekin = 1.77303863682281 | erot = 1.18152952432333 | epot = -11.0883518319623 | etot = -8.13378367081621 +666000 ekin = 1.86640057269355 | erot = 1.20258304574543 | epot = -11.2027672900303 | etot = -8.13378367159136 +667000 ekin = 1.93466412848915 | erot = 1.22193419207378 | epot = -11.2903819923689 | etot = -8.133783671806 +668000 ekin = 1.97306030168019 | erot = 1.24062017116799 | epot = -11.3474641442769 | etot = -8.13378367142873 +669000 ekin = 1.98443783024889 | erot = 1.26004202124057 | epot = -11.3782635221749 | etot = -8.13378367068545 +670000 ekin = 1.97652861972491 | erot = 1.28134194904821 | epot = -11.3916542389563 | etot = -8.13378367018321 +671000 ekin = 1.95649579520902 | erot = 1.30490078083381 | epot = -11.3951802458179 | etot = -8.13378366977503 +672000 ekin = 1.92875532538935 | erot = 1.33065660863181 | epot = -11.3931956035842 | etot = -8.13378366956306 +673000 ekin = 1.89553670248936 | erot = 1.35854540535641 | epot = -11.3878657773159 | etot = -8.13378366947008 +674000 ekin = 1.85764904384443 | erot = 1.38884570045689 | epot = -11.3802784136491 | etot = -8.13378366934781 +675000 ekin = 1.81704545028434 | erot = 1.42228413605295 | epot = -11.373113255601 | etot = -8.13378366926374 +676000 ekin = 1.77505031311568 | erot = 1.45971003523498 | epot = -11.3685440174495 | etot = -8.13378366909886 +677000 ekin = 1.73347451744457 | erot = 1.5019121683338 | epot = -11.3691703547332 | etot = -8.13378366895484 +678000 ekin = 1.69449339360991 | erot = 1.54922606358763 | epot = -11.3775031261173 | etot = -8.13378366891979 +679000 ekin = 1.65969071094775 | erot = 1.60118456838417 | epot = -11.3946589483669 | etot = -8.13378366903495 +680000 ekin = 1.62957005382427 | erot = 1.65634116858805 | epot = -11.4196948917019 | etot = -8.13378366928958 +681000 ekin = 1.60362252577069 | erot = 1.71228358653195 | epot = -11.449689781933 | etot = -8.13378366963035 +682000 ekin = 1.5808307425256 | erot = 1.76582826440389 | epot = -11.4804426769133 | etot = -8.13378366998382 +683000 ekin = 1.56032431135137 | erot = 1.81338479150389 | epot = -11.5074927731382 | etot = -8.13378367028288 +684000 ekin = 1.54183455724318 | erot = 1.85142632174729 | epot = -11.5270445498204 | etot = -8.13378367082992 +685000 ekin = 1.52410759948932 | erot = 1.87642082989206 | epot = -11.5343121005182 | etot = -8.13378367113683 +686000 ekin = 1.50494379429771 | erot = 1.88570070120714 | epot = -11.5244281669092 | etot = -8.13378367140436 +687000 ekin = 1.48208036602607 | erot = 1.87831367885578 | epot = -11.4941777164915 | etot = -8.13378367160967 +688000 ekin = 1.45289287171974 | erot = 1.85497856867545 | epot = -11.4416551120418 | etot = -8.13378367164664 +689000 ekin = 1.41601907826324 | erot = 1.81811437350132 | epot = -11.367917123107 | etot = -8.13378367134249 +690000 ekin = 1.37394775597773 | erot = 1.77166312493213 | epot = -11.2793945514708 | etot = -8.13378367056093 +691000 ekin = 1.33508615018567 | erot = 1.7207149635712 | epot = -11.1895847830922 | etot = -8.13378366933531 +692000 ekin = 1.31344376449331 | erot = 1.67094159750906 | epot = -11.1181690299532 | etot = -8.13378366795085 +693000 ekin = 1.32488046335684 | erot = 1.62783697439007 | epot = -11.0865011046353 | etot = -8.13378366688844 +694000 ekin = 1.38078608495378 | erot = 1.59583179974278 | epot = -11.1104015513257 | etot = -8.13378366662911 +695000 ekin = 1.48192861171659 | erot = 1.57745304983523 | epot = -11.1931653289632 | etot = -8.13378366741139 +696000 ekin = 1.61569966758079 | erot = 1.5727804142449 | epot = -11.32226375092 | etot = -8.13378366909433 +697000 ekin = 1.75843097201211 | erot = 1.57943520717465 | epot = -11.471649850405 | etot = -8.13378367121827 +698000 ekin = 1.88185215219679 | erot = 1.59316882059862 | epot = -11.6088046459831 | etot = -8.13378367318764 +699000 ekin = 1.96106579202292 | erot = 1.60896306337659 | epot = -11.7038125298663 | etot = -8.13378367446684 +700000 ekin = 1.98131680912422 | erot = 1.62236339277023 | epot = -11.7374638766252 | etot = -8.1337836747308 +701000 ekin = 1.94164145669045 | erot = 1.63062825687531 | epot = -11.7060533875203 | etot = -8.1337836739545 +702000 ekin = 1.85450233235201 | erot = 1.63328569356415 | epot = -11.6215716983376 | etot = -8.13378367242146 +703000 ekin = 1.74181404908478 | erot = 1.63189519934157 | epot = -11.5074929188714 | etot = -8.13378367044504 +704000 ekin = 1.62890053406143 | erot = 1.62932624845842 | epot = -11.3920104514131 | etot = -8.13378366889327 +705000 ekin = 1.53704055740013 | erot = 1.62828297752769 | epot = -11.2991072026892 | etot = -8.13378366776141 +706000 ekin = 1.48137553867545 | erot = 1.63090498236421 | epot = -11.2460641881752 | etot = -8.13378366713553 +707000 ekin = 1.47012654302872 | erot = 1.63856880546718 | epot = -11.2424790154444 | etot = -8.13378366694853 +708000 ekin = 1.50545482974759 | erot = 1.65189802616416 | epot = -11.2911365229833 | etot = -8.13378366707157 +709000 ekin = 1.58434919628013 | erot = 1.67079586466944 | epot = -11.3889287286708 | etot = -8.13378366772122 +710000 ekin = 1.69830399772316 | erot = 1.69420639282641 | epot = -11.5262940590572 | etot = -8.13378366850765 +711000 ekin = 1.83638650827484 | erot = 1.72024670599356 | epot = -11.6904168837856 | etot = -8.13378366951719 +712000 ekin = 1.98510691898267 | erot = 1.74609277614869 | epot = -11.8649833659474 | etot = -8.13378367081602 +713000 ekin = 2.12899307619927 | erot = 1.76804611051695 | epot = -12.0308228587679 | etot = -8.13378367205166 +714000 ekin = 2.2537500788108 | erot = 1.78243264236392 | epot = -12.1699663939999 | etot = -8.1337836728252 +715000 ekin = 2.34975342443562 | erot = 1.78632122216762 | epot = -12.2698583199061 | etot = -8.13378367330291 +716000 ekin = 2.41256025264403 | erot = 1.77808812757533 | epot = -12.3244320533944 | etot = -8.13378367317507 +717000 ekin = 2.44474770549548 | erot = 1.75804788177059 | epot = -12.3365792598097 | etot = -8.13378367254361 +718000 ekin = 2.45412216711155 | erot = 1.72831089170459 | epot = -12.3162167308502 | etot = -8.13378367203411 +719000 ekin = 2.44845378812103 | erot = 1.69204638295129 | epot = -12.2742838422468 | etot = -8.13378367117444 +720000 ekin = 2.43656682429823 | erot = 1.65329012912613 | epot = -12.2236406239975 | etot = -8.13378367057317 +721000 ekin = 2.42365620510361 | erot = 1.61605001930567 | epot = -12.1734898947895 | etot = -8.1337836703802 +722000 ekin = 2.40904119934951 | erot = 1.58378410660753 | epot = -12.1266089765548 | etot = -8.13378367059771 +723000 ekin = 2.38647146985516 | erot = 1.55915433554635 | epot = -12.0794094764715 | etot = -8.13378367107003 +724000 ekin = 2.34659230992567 | erot = 1.54397640930162 | epot = -12.0243523907673 | etot = -8.13378367154003 +725000 ekin = 2.28077035570444 | erot = 1.53931973021413 | epot = -11.9538737576625 | etot = -8.13378367174393 +726000 ekin = 2.18489434263528 | erot = 1.54571264605969 | epot = -11.8643906602024 | etot = -8.13378367150746 +727000 ekin = 2.06179491768289 | erot = 1.5633964649543 | epot = -11.758975053444 | etot = -8.13378367080681 +728000 ekin = 1.92142302762616 | erot = 1.59252552389791 | epot = -11.6477322213134 | etot = -8.13378366978937 +729000 ekin = 1.77863161459621 | erot = 1.63318133799978 | epot = -11.5455966213317 | etot = -8.13378366873569 +730000 ekin = 1.64935549787773 | erot = 1.68520345518918 | epot = -11.4683426210493 | etot = -8.13378366798235 +731000 ekin = 1.54617340800501 | erot = 1.74777370763937 | epot = -11.4277307834144 | etot = -8.13378366776999 +732000 ekin = 1.47444012326081 | erot = 1.81876025838909 | epot = -11.4269840497984 | etot = -8.13378366814851 +733000 ekin = 1.43189319814282 | erot = 1.89484027034282 | epot = -11.4605171374877 | etot = -8.13378366900206 +734000 ekin = 1.41017780821054 | erot = 1.97174677425768 | epot = -11.5157082525344 | etot = -8.13378367006618 +735000 ekin = 1.39820849324506 | erot = 2.04483940823445 | epot = -11.5768315724903 | etot = -8.13378367101077 +736000 ekin = 1.38628872342334 | erot = 2.1098536340242 | epot = -11.6299260289958 | etot = -8.13378367154824 +737000 ekin = 1.36961596691125 | erot = 2.16355925927667 | epot = -11.6669588977375 | etot = -8.1337836715496 +738000 ekin = 1.34981044642444 | erot = 2.20404797657021 | epot = -11.6876420941064 | etot = -8.13378367111176 +739000 ekin = 1.3337265319971 | erot = 2.2305539577571 | epot = -11.6980641602564 | etot = -8.13378367050223 +740000 ekin = 1.33016419297185 | erot = 2.24303198932884 | epot = -11.7069798522888 | etot = -8.13378366998815 +741000 ekin = 1.34641052649907 | erot = 2.24189336877249 | epot = -11.7220875649481 | etot = -8.13378366967656 +742000 ekin = 1.38645577649848 | erot = 2.22809836951312 | epot = -11.7483378155403 | etot = -8.13378366952872 +743000 ekin = 1.45103879196092 | erot = 2.20332817129465 | epot = -11.7881506327621 | etot = -8.13378366950656 +744000 ekin = 1.53803120218869 | erot = 2.16985299830622 | epot = -11.8416678701973 | etot = -8.13378366970238 +745000 ekin = 1.64150939164176 | erot = 2.1298859597558 | epot = -11.9051790216537 | etot = -8.13378367025619 +746000 ekin = 1.75074962764572 | erot = 2.08470317829609 | epot = -11.9692364772076 | etot = -8.13378367126575 +747000 ekin = 1.84985303110975 | erot = 2.03398729131598 | epot = -12.0176239950655 | etot = -8.13378367263978 +748000 ekin = 1.91944439123733 | erot = 1.97579729236556 | epot = -12.0290253576753 | etot = -8.13378367407245 +749000 ekin = 1.94080211586985 | erot = 1.90728805389599 | epot = -11.9818738448629 | etot = -8.13378367509709 +750000 ekin = 1.90175708675931 | erot = 1.82602227398106 | epot = -11.8615630358818 | etot = -8.13378367514145 +751000 ekin = 1.80442251329553 | erot = 1.7321012366385 | epot = -11.6703074242626 | etot = -8.1337836743286 +752000 ekin = 1.66438096328611 | erot = 1.62791173822921 | epot = -11.4260763737947 | etot = -8.13378367227942 +753000 ekin = 1.50959112394715 | erot = 1.51791168435181 | epot = -11.1612864778799 | etot = -8.13378366958094 +754000 ekin = 1.37530205556033 | erot = 1.40846180206954 | epot = -10.9175475248713 | etot = -8.13378366724144 +755000 ekin = 1.29223158174908 | erot = 1.30628357856191 | epot = -10.732298826192 | etot = -8.13378366588102 +756000 ekin = 1.27251368864414 | erot = 1.21592403401206 | epot = -10.622221389115 | etot = -8.13378366645877 +757000 ekin = 1.30634776760889 | erot = 1.13861892039714 | epot = -10.5787503559372 | etot = -8.13378366793113 +758000 ekin = 1.37185376254184 | erot = 1.0735107376922 | epot = -10.5791481697226 | etot = -8.13378366948851 +759000 ekin = 1.44617278831012 | erot = 1.01897341841063 | epot = -10.598929877198 | etot = -8.13378367047723 +760000 ekin = 1.51270256479301 | erot = 0.973207034201039 | epot = -10.6196932701125 | etot = -8.13378367111847 +761000 ekin = 1.56039612702868 | erot = 0.934439072309874 | epot = -10.6286188703703 | etot = -8.13378367103177 +762000 ekin = 1.58948756764912 | erot = 0.901622731963184 | epot = -10.6248939700703 | etot = -8.13378367045796 +763000 ekin = 1.60810008603274 | erot = 0.874391507872529 | epot = -10.6162752635795 | etot = -8.13378366967423 +764000 ekin = 1.62768531424286 | erot = 0.852689319785657 | epot = -10.6141583029918 | etot = -8.13378366896324 +765000 ekin = 1.65693698085653 | erot = 0.836745239153095 | epot = -10.6274658895874 | etot = -8.13378366957773 +766000 ekin = 1.70304081025946 | erot = 0.827639758104824 | epot = -10.6644642391125 | etot = -8.13378367074825 +767000 ekin = 1.76603010804921 | erot = 0.819745786931532 | epot = -10.719559566308 | etot = -8.13378367132722 +768000 ekin = 1.83976621727627 | erot = 0.8139156067584 | epot = -10.7874654957375 | etot = -8.13378367170284 +769000 ekin = 1.91953928655908 | erot = 0.809315266595166 | epot = -10.8626382251527 | etot = -8.13378367199848 +770000 ekin = 2.00068337351959 | erot = 0.805269377194069 | epot = -10.9397364229423 | etot = -8.13378367222864 +771000 ekin = 2.07932607088732 | erot = 0.801470015537725 | epot = -11.0145797587942 | etot = -8.13378367236911 +772000 ekin = 2.15218258759755 | erot = 0.797728511840744 | epot = -11.0836947720117 | etot = -8.13378367257343 +773000 ekin = 2.21516346372988 | erot = 0.79376993216211 | epot = -11.1427170688153 | etot = -8.13378367292333 +774000 ekin = 2.26234547301551 | erot = 0.789120208322318 | epot = -11.1852493547456 | etot = -8.13378367340773 +775000 ekin = 2.28747440002057 | erot = 0.782940858117551 | epot = -11.2041989316468 | etot = -8.13378367350871 +776000 ekin = 2.28487294058628 | erot = 0.774236455828425 | epot = -11.1928930694851 | etot = -8.13378367307042 +777000 ekin = 2.25459623260422 | erot = 0.763986238595056 | epot = -11.1523661447081 | etot = -8.13378367350883 +778000 ekin = 2.19483848050509 | erot = 0.752926118473461 | epot = -11.0815482726341 | etot = -8.13378367365559 +779000 ekin = 2.10207554487389 | erot = 0.741428699334343 | epot = -10.9772879179051 | etot = -8.13378367369685 +780000 ekin = 1.975078446677 | erot = 0.730439747656369 | epot = -10.8393018678337 | etot = -8.1337836735003 +781000 ekin = 1.81624237982134 | erot = 0.720681720720675 | epot = -10.6707077731082 | etot = -8.13378367256618 +782000 ekin = 1.63737679983539 | erot = 0.713965531354133 | epot = -10.4851260026601 | etot = -8.13378367147054 +783000 ekin = 1.45327094383719 | erot = 0.712334775523592 | epot = -10.2993893897056 | etot = -8.1337836703448 +784000 ekin = 1.27931304174358 | erot = 0.717795316536906 | epot = -10.1308920276043 | etot = -8.1337836693238 +785000 ekin = 1.12953341815274 | erot = 0.732133377029229 | epot = -9.99545046371264 | etot = -8.13378366853067 +786000 ekin = 1.0148243180478 | erot = 0.75676028118304 | epot = -9.90536826728528 | etot = -8.13378366805444 +787000 ekin = 0.941643963842495 | erot = 0.792599099770748 | epot = -9.86802673154543 | etot = -8.13378366793219 +788000 ekin = 0.91151079635427 | erot = 0.840020856528208 | epot = -9.88531532101941 | etot = -8.13378366813693 +789000 ekin = 0.921376349365235 | erot = 0.89882735727821 | epot = -9.9539873752422 | etot = -8.13378366859875 +790000 ekin = 0.964654482915146 | erot = 0.968273092067122 | epot = -10.0667112442069 | etot = -8.13378366922462 +791000 ekin = 1.03261133425371 | erot = 1.04710148107764 | epot = -10.2134964852549 | etot = -8.13378366992355 +792000 ekin = 1.11580285055926 | erot = 1.13356945355193 | epot = -10.3831559747166 | etot = -8.13378367060541 +793000 ekin = 1.205280651357 | erot = 1.22546277764222 | epot = -10.5645271002539 | etot = -8.13378367125471 +794000 ekin = 1.29310700797017 | erot = 1.32020213138164 | epot = -10.7470928111806 | etot = -8.13378367182877 +795000 ekin = 1.37238467364513 | erot = 1.41513363977019 | epot = -10.9213019889598 | etot = -8.13378367554452 +796000 ekin = 1.40835913067749 | erot = 1.52971390357828 | epot = -11.0718567049054 | etot = -8.1337836706496 +797000 ekin = 1.45167190325167 | erot = 1.62512604236805 | epot = -11.2105816179713 | etot = -8.13378367235159 +798000 ekin = 1.48145722831546 | erot = 1.70064689495284 | epot = -11.315887795747 | etot = -8.13378367247869 +799000 ekin = 1.4955963332668 | erot = 1.76394329939599 | epot = -11.3933233050852 | etot = -8.13378367242244 +800000 ekin = 1.49744893756611 | erot = 1.8132729125825 | epot = -11.4445055223199 | etot = -8.13378367217132 +801000 ekin = 1.49251279282915 | erot = 1.84780559275317 | epot = -11.474102057285 | etot = -8.13378367170271 +802000 ekin = 1.48820480029493 | erot = 1.86779013866868 | epot = -11.4897786100776 | etot = -8.13378367111404 +803000 ekin = 1.49253566042966 | erot = 1.87451451170557 | epot = -11.5008338427234 | etot = -8.13378367058816 +804000 ekin = 1.5116603543289 | erot = 1.86997050315934 | epot = -11.5154145278236 | etot = -8.13378367033537 +805000 ekin = 1.54725262777174 | erot = 1.85635941635703 | epot = -11.5373957146226 | etot = -8.13378367049383 +806000 ekin = 1.59533620641404 | erot = 1.83572111156676 | epot = -11.5648409886255 | etot = -8.13378367064471 +807000 ekin = 1.64925672171952 | erot = 1.81037056531091 | epot = -11.5934109584119 | etot = -8.13378367138148 +808000 ekin = 1.69787116917717 | erot = 1.7813245959011 | epot = -11.6129794371751 | etot = -8.13378367209687 +809000 ekin = 1.73004744235811 | erot = 1.74897468679296 | epot = -11.6128058017335 | etot = -8.13378367258244 +810000 ekin = 1.73831051804067 | erot = 1.71353607859664 | epot = -11.585630270404 | etot = -8.13378367376665 +811000 ekin = 1.71623548899456 | erot = 1.6742846234257 | epot = -11.5243037859369 | etot = -8.13378367351661 +812000 ekin = 1.66416936453534 | erot = 1.63115164435859 | epot = -11.4291046817453 | etot = -8.13378367285134 +813000 ekin = 1.59176171308439 | erot = 1.58513406244348 | epot = -11.3106794473701 | etot = -8.13378367184222 +814000 ekin = 1.51369575693312 | erot = 1.53752063412374 | epot = -11.1850000616877 | etot = -8.13378367063089 +815000 ekin = 1.44735421380678 | erot = 1.48989097525809 | epot = -11.0710288584962 | etot = -8.13378366943134 +816000 ekin = 1.40949972397271 | erot = 1.44406671643183 | epot = -10.9873501088938 | etot = -8.13378366848926 +817000 ekin = 1.41268037619626 | erot = 1.40200084695678 | epot = -10.9484648911707 | etot = -8.13378366801771 +818000 ekin = 1.46212175577427 | erot = 1.36558649858982 | epot = -10.9614919224948 | etot = -8.13378366813073 +819000 ekin = 1.55434977582292 | erot = 1.33645466075966 | epot = -11.0245881053078 | etot = -8.13378366872519 +820000 ekin = 1.67879137032642 | erot = 1.31590146923918 | epot = -11.1284765091463 | etot = -8.1337836695807 +821000 ekin = 1.82107935880473 | erot = 1.30489182434882 | epot = -11.2597548535965 | etot = -8.13378367044299 +822000 ekin = 1.95294466690438 | erot = 1.31620699243495 | epot = -11.4029353289041 | etot = -8.13378366956477 +823000 ekin = 2.0744918329815 | erot = 1.34466437804004 | epot = -11.5529398817614 | etot = -8.13378367073983 +824000 ekin = 2.19907919101152 | erot = 1.36469015649287 | epot = -11.6975530184867 | etot = -8.13378367098235 +825000 ekin = 2.30563380731732 | erot = 1.39476757379007 | epot = -11.8341850523135 | etot = -8.13378367120606 +826000 ekin = 2.39103700934121 | erot = 1.43354131860341 | epot = -11.9583619997622 | etot = -8.13378367181753 +827000 ekin = 2.44908730431562 | erot = 1.47824975110643 | epot = -12.0611207278282 | etot = -8.13378367240619 +828000 ekin = 2.47400495189244 | erot = 1.5253685887777 | epot = -12.1331572137356 | etot = -8.13378367306547 +829000 ekin = 2.46026919524429 | erot = 1.57083290056531 | epot = -12.1648857694093 | etot = -8.13378367359971 +830000 ekin = 2.40417117545801 | erot = 1.61070673373864 | epot = -12.1486615829869 | etot = -8.13378367379024 +831000 ekin = 2.30626797380524 | erot = 1.6420689276996 | epot = -12.0821205749497 | etot = -8.13378367344486 +832000 ekin = 2.17314973457071 | erot = 1.6637889533296 | epot = -11.9707223604975 | etot = -8.13378367259718 +833000 ekin = 2.01667882998926 | erot = 1.67684011591486 | epot = -11.827302617307 | etot = -8.1337836714029 +834000 ekin = 1.85232718441155 | erot = 1.68370832895273 | epot = -11.669819183454 | etot = -8.13378367008967 +835000 ekin = 1.69616282491266 | erot = 1.68768571766349 | epot = -11.5176322116632 | etot = -8.13378366908707 +836000 ekin = 1.56059049290232 | erot = 1.69176136009187 | epot = -11.3861355304323 | etot = -8.13378367743811 +837000 ekin = 1.4649469150044 | erot = 1.67922598577313 | epot = -11.2779565658821 | etot = -8.13378366510453 +838000 ekin = 1.41623376457433 | erot = 1.68359587928439 | epot = -11.2336133181127 | etot = -8.13378367425399 +839000 ekin = 1.38164226012672 | erot = 1.69827238734037 | epot = -11.2136983220805 | etot = -8.13378367461343 +840000 ekin = 1.37281419715513 | erot = 1.71791872248084 | epot = -11.2245165947373 | etot = -8.13378367510138 +841000 ekin = 1.38251849193881 | erot = 1.74222357841543 | epot = -11.2585257459448 | etot = -8.13378367559059 +842000 ekin = 1.40440815942035 | erot = 1.77053653191625 | epot = -11.308728367384 | etot = -8.13378367604745 +843000 ekin = 1.43288889925859 | erot = 1.80208713634726 | epot = -11.3687597120877 | etot = -8.13378367648181 +844000 ekin = 1.46337505814903 | erot = 1.83581425236187 | epot = -11.4329729874354 | etot = -8.13378367692452 +845000 ekin = 1.49225138963089 | erot = 1.87011931155121 | epot = -11.4961543785795 | etot = -8.13378367739744 +846000 ekin = 1.51675477462874 | erot = 1.90271354930936 | epot = -11.5532520018099 | etot = -8.13378367787183 +847000 ekin = 1.53514567571852 | erot = 1.93076451181253 | epot = -11.5996938657532 | etot = -8.13378367822212 +848000 ekin = 1.54758817139767 | erot = 1.95149729782707 | epot = -11.6328691474788 | etot = -8.1337836782541 +849000 ekin = 1.55740275309144 | erot = 1.96313933265 | epot = -11.6543257635983 | etot = -8.13378367785683 +850000 ekin = 1.57132389421101 | erot = 1.96572299084975 | epot = -11.6708305622435 | etot = -8.13378367718269 +851000 ekin = 1.59707563452676 | erot = 1.96110149893909 | epot = -11.6919608101049 | etot = -8.13378367663905 +852000 ekin = 1.6386535081545 | erot = 1.95197424613878 | epot = -11.7244114309664 | etot = -8.13378367667315 +853000 ekin = 1.69191652813023 | erot = 1.94037118809899 | epot = -11.7660713936989 | etot = -8.1337836774697 +854000 ekin = 1.74370784145889 | erot = 1.92645693893931 | epot = -11.8039484591072 | etot = -8.13378367870896 +855000 ekin = 1.77620146948086 | erot = 1.90847432090069 | epot = -11.8184594703326 | etot = -8.13378367995108 +856000 ekin = 1.77433273184065 | erot = 1.88315818057335 | epot = -11.7912745929164 | etot = -8.13378368050239 +857000 ekin = 1.73346273147091 | erot = 1.84735528776312 | epot = -11.7146016992328 | etot = -8.13378367999875 +858000 ekin = 1.66317903315863 | erot = 1.79946643728795 | epot = -11.5964291489817 | etot = -8.13378367853512 +859000 ekin = 1.58513293473523 | erot = 1.74007953905842 | epot = -11.4589961504119 | etot = -8.13378367661827 +860000 ekin = 1.52581941740006 | erot = 1.67168470802684 | epot = -11.3312878003291 | etot = -8.13378367490221 +861000 ekin = 1.50775028679288 | erot = 1.59782760969369 | epot = -11.2393615703528 | etot = -8.1337836738662 +862000 ekin = 1.54306866321957 | erot = 1.52225954467352 | epot = -11.1991118815402 | etot = -8.13378367364711 +863000 ekin = 1.63171594625002 | erot = 1.44845127786619 | epot = -11.2139508982038 | etot = -8.13378367408762 +864000 ekin = 1.76367870712172 | erot = 1.37946094115355 | epot = -11.2769233231883 | etot = -8.13378367491307 +865000 ekin = 1.92306452976728 | erot = 1.31796433815998 | epot = -11.374812543797 | etot = -8.13378367586979 +866000 ekin = 2.09215456373456 | erot = 1.26628926087244 | epot = -11.492227501168 | etot = -8.13378367656101 +867000 ekin = 2.2555870663093 | erot = 1.22649711226227 | epot = -11.6158678558662 | etot = -8.13378367729465 +868000 ekin = 2.40057443573636 | erot = 1.20017706622215 | epot = -11.7345351797559 | etot = -8.13378367779738 +869000 ekin = 2.51819395203098 | erot = 1.18842552010846 | epot = -11.8404031502132 | etot = -8.13378367807373 +870000 ekin = 2.60380767615723 | erot = 1.19178595747267 | epot = -11.9293773118501 | etot = -8.13378367822019 +871000 ekin = 2.65597330530642 | erot = 1.21008900212213 | epot = -11.9998459857543 | etot = -8.13378367832573 +872000 ekin = 2.67413391791353 | erot = 1.24223617503019 | epot = -12.0501537716762 | etot = -8.13378367873251 +873000 ekin = 2.6552381335266 | erot = 1.28590823805749 | epot = -12.0749300509471 | etot = -8.13378367936302 +874000 ekin = 2.59426343772232 | erot = 1.33769628235099 | epot = -12.0657434000994 | etot = -8.13378368002606 +875000 ekin = 2.48661885046081 | erot = 1.39359938817273 | epot = -12.014001918994 | etot = -8.13378368036042 +876000 ekin = 2.33257163459597 | erot = 1.4498598457216 | epot = -11.9162151603149 | etot = -8.13378367999738 +877000 ekin = 2.141517317418 | erot = 1.50380376864633 | epot = -11.7791047648915 | etot = -8.13378367882715 +878000 ekin = 1.93283200512491 | erot = 1.55419737778086 | epot = -11.6208130600935 | etot = -8.13378367718774 +879000 ekin = 1.73117573768839 | erot = 1.60084517567798 | epot = -11.4658045891139 | etot = -8.13378367574752 +880000 ekin = 1.5578715146681 | erot = 1.64373016660559 | epot = -11.3353853563275 | etot = -8.1337836750538 +881000 ekin = 1.42384142296435 | erot = 1.68244604719099 | epot = -11.240071145286 | etot = -8.1337836751306 +882000 ekin = 1.32893688638413 | erot = 1.71640874333306 | epot = -11.1791293052726 | etot = -8.13378367555537 +883000 ekin = 1.26714280251856 | erot = 1.74554143078467 | epot = -11.1464679090328 | etot = -8.13378367572956 +884000 ekin = 1.23268823981684 | erot = 1.77071758435451 | epot = -11.1371895001203 | etot = -8.13378367594895 +885000 ekin = 1.22008849613112 | erot = 1.79312166866591 | epot = -11.1469938409055 | etot = -8.13378367610844 +886000 ekin = 1.22532479936357 | erot = 1.81382116072379 | epot = -11.1729296363289 | etot = -8.13378367624153 +887000 ekin = 1.2449454811134 | erot = 1.83336039664062 | epot = -11.2120895542198 | etot = -8.1337836764658 +888000 ekin = 1.27500212867653 | erot = 1.8516886713632 | epot = -11.2604744767923 | etot = -8.13378367675256 +889000 ekin = 1.31152735186358 | erot = 1.86844690163024 | epot = -11.3137579305996 | etot = -8.13378367710575 +890000 ekin = 1.3498631749174 | erot = 1.88304641091815 | epot = -11.3666932633624 | etot = -8.13378367752689 +891000 ekin = 1.38390530385042 | erot = 1.89468392947328 | epot = -11.412372911412 | etot = -8.13378367808832 +892000 ekin = 1.40569395920114 | erot = 1.9022674868734 | epot = -11.4417451250871 | etot = -8.13378367901258 +893000 ekin = 1.40448288885454 | erot = 1.90432470815783 | epot = -11.4425912767175 | etot = -8.13378367970511 +894000 ekin = 1.37144289301693 | erot = 1.89954369089987 | epot = -11.4047702639074 | etot = -8.1337836799906 +895000 ekin = 1.30348485835023 | erot = 1.88750423026719 | epot = -11.3247727647944 | etot = -8.133783676177 +896000 ekin = 1.22187336940036 | erot = 1.8707106171673 | epot = -11.2263676620824 | etot = -8.13378367551471 +897000 ekin = 1.1475484574015 | erot = 1.8526380388531 | epot = -11.1339701707606 | etot = -8.13378367450598 +898000 ekin = 1.08944016615085 | erot = 1.83653761372357 | epot = -11.0597614537982 | etot = -8.13378367392382 +899000 ekin = 1.05403951137015 | erot = 1.82413022669427 | epot = -11.0119534116562 | etot = -8.13378367359175 +900000 ekin = 1.04500203331437 | erot = 1.81619426355301 | epot = -10.9949799704688 | etot = -8.13378367360146 +901000 ekin = 1.06222206923137 | erot = 1.81234403117871 | epot = -11.0083497743367 | etot = -8.13378367392657 +902000 ekin = 1.10209713925585 | erot = 1.81111462924797 | epot = -11.0469954429571 | etot = -8.13378367445329 +903000 ekin = 1.15876030901198 | erot = 1.81037876583237 | epot = -11.1029227498745 | etot = -8.13378367503018 +904000 ekin = 1.22532881859542 | erot = 1.80797942323846 | epot = -11.1670919178021 | etot = -8.13378367596819 +905000 ekin = 1.29206809095771 | erot = 1.80250391202481 | epot = -11.228355679448 | etot = -8.13378367646547 +906000 ekin = 1.35183435818773 | erot = 1.79300035920579 | epot = -11.2786183941511 | etot = -8.13378367675755 +907000 ekin = 1.39979991832311 | erot = 1.77946415970531 | epot = -11.3130477549902 | etot = -8.13378367696177 +908000 ekin = 1.43268044809292 | erot = 1.76253539552682 | epot = -11.3289995206312 | etot = -8.13378367701141 +909000 ekin = 1.44897967392585 | erot = 1.74341748030413 | epot = -11.3261808311167 | etot = -8.13378367688676 +910000 ekin = 1.44937912518518 | erot = 1.72390580405004 | epot = -11.3070686057931 | etot = -8.13378367655785 +911000 ekin = 1.43727654048153 | erot = 1.70617572376328 | epot = -11.2772359402954 | etot = -8.13378367605061 +912000 ekin = 1.41843448710304 | erot = 1.69263823219248 | epot = -11.2448563947427 | etot = -8.13378367544719 +913000 ekin = 1.40006194636186 | erot = 1.68549440968357 | epot = -11.2193400309129 | etot = -8.1337836748675 +914000 ekin = 1.38958826680245 | erot = 1.68634774644459 | epot = -11.2097196877205 | etot = -8.1337836744735 +915000 ekin = 1.39244842079852 | erot = 1.69595180430484 | epot = -11.2221838995188 | etot = -8.1337836744154 +916000 ekin = 1.41015014913687 | erot = 1.71401831966597 | epot = -11.257952143573 | etot = -8.13378367477015 +917000 ekin = 1.43929629826323 | erot = 1.73916764021605 | epot = -11.3122476139723 | etot = -8.13378367549302 +918000 ekin = 1.4722794295836 | erot = 1.76903078869455 | epot = -11.3750938946781 | etot = -8.1337836764 +919000 ekin = 1.49986621867062 | erot = 1.80052098874725 | epot = -11.4341708846036 | etot = -8.13378367718575 +920000 ekin = 1.51501277168815 | erot = 1.83027923270359 | epot = -11.4790756819828 | etot = -8.13378367759109 +921000 ekin = 1.50567012560593 | erot = 1.85806253143217 | epot = -11.4975163338839 | etot = -8.13378367684584 +922000 ekin = 1.50530570212432 | erot = 1.88405749209565 | epot = -11.5231468708402 | etot = -8.13378367662025 +923000 ekin = 1.51005072163659 | erot = 1.89398296785835 | epot = -11.5378173653492 | etot = -8.13378367585429 +924000 ekin = 1.52928061110808 | erot = 1.89561779723843 | epot = -11.558682083782 | etot = -8.13378367543545 +925000 ekin = 1.56873673242218 | erot = 1.88910082671996 | epot = -11.5916212348592 | etot = -8.13378367571709 +926000 ekin = 1.62371911797747 | erot = 1.87429650796065 | epot = -11.6317993026205 | etot = -8.13378367668236 +927000 ekin = 1.67952368621566 | erot = 1.85068760963458 | epot = -11.663994973807 | etot = -8.13378367795674 +928000 ekin = 1.71651231863953 | erot = 1.81783745906732 | epot = -11.6681334567389 | etot = -8.13378367903208 +929000 ekin = 1.71702542898816 | erot = 1.77614095822328 | epot = -11.6269500667182 | etot = -8.13378367950679 +930000 ekin = 1.67099557122645 | erot = 1.72742889265358 | epot = -11.5322081430821 | etot = -8.13378367920211 +931000 ekin = 1.57874461805286 | erot = 1.67513458336157 | epot = -11.3876628795813 | etot = -8.13378367816685 +932000 ekin = 1.4507920755465 | erot = 1.62392798812581 | epot = -11.2085037402974 | etot = -8.13378367662505 +933000 ekin = 1.30531755369149 | erot = 1.57894109557251 | epot = -11.0180423241588 | etot = -8.13378367489477 +934000 ekin = 1.16422088055465 | erot = 1.54485802719546 | epot = -10.8428625810454 | etot = -8.13378367329525 +935000 ekin = 1.04864497195189 | erot = 1.5250920918049 | epot = -10.7075207359171 | etot = -8.13378367216033 +936000 ekin = 0.974709275907845 | erot = 1.52116328113893 | epot = -10.6296562287295 | etot = -8.13378367168275 +937000 ekin = 0.950462281728795 | erot = 1.53244919754867 | epot = -10.6166951512348 | etot = -8.13378367195737 +938000 ekin = 0.974421294247563 | erot = 1.55616007284456 | epot = -10.6643650400328 | etot = -8.13378367294068 +939000 ekin = 1.03606886914207 | erot = 1.58755449810235 | epot = -10.7574070416974 | etot = -8.13378367445297 +940000 ekin = 1.11826841163644 | erot = 1.62042989252328 | epot = -10.8724819803543 | etot = -8.13378367619459 +941000 ekin = 1.20122028754373 | erot = 1.64794232268583 | epot = -10.9829462880145 | etot = -8.1337836777849 +942000 ekin = 1.26717763871503 | erot = 1.66371924010786 | epot = -11.0646805577046 | etot = -8.1337836788817 +943000 ekin = 1.3050921263636 | erot = 1.66314531322851 | epot = -11.1020211187136 | etot = -8.13378367912151 +944000 ekin = 1.31392378036222 | erot = 1.64449670959754 | epot = -11.0922041684753 | etot = -8.13378367851557 +945000 ekin = 1.30237464583948 | erot = 1.60929976264344 | epot = -11.04545808583 | etot = -8.13378367734709 +946000 ekin = 1.28506402630223 | erot = 1.56181036915073 | epot = -10.9806580715648 | etot = -8.13378367611187 +947000 ekin = 1.27634123347521 | erot = 1.50774431563436 | epot = -10.9178692243886 | etot = -8.133783675279 +948000 ekin = 1.28467886415746 | erot = 1.45281196766794 | epot = -10.8712745068899 | etot = -8.13378367506454 +949000 ekin = 1.31037739981839 | erot = 1.40157240050898 | epot = -10.8457334757007 | etot = -8.13378367537332 +950000 ekin = 1.34722619727445 | erot = 1.35688689258473 | epot = -10.8378967657852 | etot = -8.13378367592597 +951000 ekin = 1.38650860359963 | erot = 1.31991932915849 | epot = -10.8402116091881 | etot = -8.13378367643003 +952000 ekin = 1.42144708600024 | erot = 1.29081153261565 | epot = -10.8460422952464 | etot = -8.13378367663051 +953000 ekin = 1.44882630049243 | erot = 1.26905800932661 | epot = -10.8516679865683 | etot = -8.13378367674927 +954000 ekin = 1.46839021309569 | erot = 1.25288008944085 | epot = -10.8550539791095 | etot = -8.13378367657292 +955000 ekin = 1.48389177819301 | erot = 1.24071488903617 | epot = -10.858390343506 | etot = -8.13378367627686 +956000 ekin = 1.50041048021928 | erot = 1.23152279379181 | epot = -10.8657169500894 | etot = -8.13378367607827 +957000 ekin = 1.52124213198277 | erot = 1.2248104766171 | epot = -10.8798362846954 | etot = -8.13378367609549 +958000 ekin = 1.54632228951779 | erot = 1.22051885586618 | epot = -10.9006248216425 | etot = -8.13378367625849 +959000 ekin = 1.5732429585497 | erot = 1.2189190985513 | epot = -10.9259457334718 | etot = -8.1337836763708 +960000 ekin = 1.59969207484939 | erot = 1.22060655465072 | epot = -10.9540823058879 | etot = -8.13378367638774 +961000 ekin = 1.62253442120938 | erot = 1.22677322860071 | epot = -10.9830913260732 | etot = -8.13378367626306 +962000 ekin = 1.64127230246638 | erot = 1.23851880553052 | epot = -11.0135747841204 | etot = -8.13378367612348 +963000 ekin = 1.65616191530707 | erot = 1.25678968557686 | epot = -11.0467352770293 | etot = -8.13378367614533 +964000 ekin = 1.66566514878509 | erot = 1.28218253465312 | epot = -11.0816313596854 | etot = -8.13378367624715 +965000 ekin = 1.66770285413704 | erot = 1.3145546426696 | epot = -11.1160411733802 | etot = -8.13378367657354 +966000 ekin = 1.65810694801932 | erot = 1.35314679620483 | epot = -11.1450374210337 | etot = -8.13378367680953 +967000 ekin = 1.63401913429882 | erot = 1.39653020162862 | epot = -11.1643330128601 | etot = -8.1337836769327 +968000 ekin = 1.59493849996686 | erot = 1.44254096556363 | epot = -11.1712631425958 | etot = -8.13378367706529 +969000 ekin = 1.54116623449113 | erot = 1.48830566532954 | epot = -11.1632555771591 | etot = -8.13378367733845 +970000 ekin = 1.4719525052895 | erot = 1.53048571058931 | epot = -11.1362218935876 | etot = -8.13378367770882 +971000 ekin = 1.38571362496392 | erot = 1.56593199218658 | epot = -11.0854292947599 | etot = -8.13378367760946 +972000 ekin = 1.28446124080782 | erot = 1.59277024357702 | epot = -11.0110151618351 | etot = -8.13378367745027 +973000 ekin = 1.17320808804033 | erot = 1.61049478778007 | epot = -10.9174865525069 | etot = -8.13378367668655 +974000 ekin = 1.06313421672607 | erot = 1.62023440931496 | epot = -10.8171523014627 | etot = -8.1337836754217 +975000 ekin = 0.970987627773263 | erot = 1.62445058232732 | epot = -10.7292218841971 | etot = -8.13378367409648 +976000 ekin = 0.913517832896917 | erot = 1.62592321152395 | epot = -10.6732247177148 | etot = -8.13378367329392 +977000 ekin = 0.900210296281933 | erot = 1.62660680876215 | epot = -10.6606007784181 | etot = -8.13378367337401 +978000 ekin = 0.928774957734405 | erot = 1.62702793017349 | epot = -10.6895865621565 | etot = -8.13378367424864 +979000 ekin = 0.986309688615544 | erot = 1.62661906277886 | epot = -10.7467124267463 | etot = -8.13378367535186 +980000 ekin = 1.05604184509069 | erot = 1.62477777772944 | epot = -10.8146032989454 | etot = -8.13378367612524 +981000 ekin = 1.12469745172871 | erot = 1.62193499957867 | epot = -10.8804161275922 | etot = -8.13378367628486 +982000 ekin = 1.18655422485744 | erot = 1.61989865506831 | epot = -10.9402365558265 | etot = -8.13378367590075 +983000 ekin = 1.24323393324142 | erot = 1.62138932885757 | epot = -10.9984069373473 | etot = -8.1337836752483 +984000 ekin = 1.30072892338428 | erot = 1.62917854698298 | epot = -11.0636911449926 | etot = -8.13378367462536 +985000 ekin = 1.36575798911899 | erot = 1.64530549626705 | epot = -11.1448471596467 | etot = -8.13378367426062 +986000 ekin = 1.44269014494577 | erot = 1.67060135317286 | epot = -11.2470751724194 | etot = -8.13378367430079 +987000 ekin = 1.53139017700859 | erot = 1.70450616299349 | epot = -11.3696800148167 | etot = -8.13378367481465 +988000 ekin = 1.62542516970506 | erot = 1.74490462806446 | epot = -11.5041134736236 | etot = -8.13378367585409 +989000 ekin = 1.7097331432548 | erot = 1.78758053809196 | epot = -11.6310973585289 | etot = -8.13378367718214 +990000 ekin = 1.7683499056324 | erot = 1.8285480090496 | epot = -11.7306815930646 | etot = -8.13378367838265 +991000 ekin = 1.78717585085268 | erot = 1.86445265595412 | epot = -11.7854121858802 | etot = -8.13378367907336 +992000 ekin = 1.75808068859759 | erot = 1.89344947202214 | epot = -11.7853138396523 | etot = -8.13378367903258 +993000 ekin = 1.68149922524448 | erot = 1.91587778986002 | epot = -11.7311606933815 | etot = -8.13378367827695 +994000 ekin = 1.56634005423023 | erot = 1.93428820616986 | epot = -11.6344119373831 | etot = -8.13378367698301 +995000 ekin = 1.42807354993205 | erot = 1.95281321298946 | epot = -11.5146704383349 | etot = -8.13378367541341 +996000 ekin = 1.28578074359379 | erot = 1.97614374534584 | epot = -11.3957081628235 | etot = -8.1337836738839 +997000 ekin = 1.15849050625869 | erot = 2.00849321119135 | epot = -11.3007673901264 | etot = -8.13378367267635 +998000 ekin = 1.06172554938436 | erot = 2.05288173975883 | epot = -11.248390961091 | etot = -8.13378367194784 +999000 ekin = 1.00534864058225 | erot = 2.1108335144693 | epot = -11.2499658267879 | etot = -8.13378367173635 +1000000 ekin = 0.992888355159924 | erot = 2.18232107200368 | epot = -11.3089930991865 | etot = -8.13378367202294 + 1000000 0.073547286 -1.1520387 0.021139403 -1.0316105 -4.7686302e-05 64000 +Loop time of 16.9184 on 1 procs for 1000000 steps with 10 atoms + +Performance: 51068.728 tau/day, 59107.325 timesteps/s +99.7% CPU use with 1 MPI tasks x no OpenMP threads + +MPI task timing breakdown: +Section | min time | avg time | max time |%varavg| %total +--------------------------------------------------------------- +Pair | 14.164 | 14.164 | 14.164 | 0.0 | 83.72 +Bond | 0.59031 | 0.59031 | 0.59031 | 0.0 | 3.49 +Neigh | 0.006119 | 0.006119 | 0.006119 | 0.0 | 0.04 +Comm | 0.33057 | 0.33057 | 0.33057 | 0.0 | 1.95 +Output | 0.094999 | 0.094999 | 0.094999 | 0.0 | 0.56 +Modify | 1.4671 | 1.4671 | 1.4671 | 0.0 | 8.67 +Other | | 0.265 | | | 1.57 + +Nlocal: 10.0000 ave 10 max 10 min +Histogram: 1 0 0 0 0 0 0 0 0 0 +Nghost: 0.00000 ave 0 max 0 min +Histogram: 1 0 0 0 0 0 0 0 0 0 +Neighs: 37.0000 ave 37 max 37 min +Histogram: 1 0 0 0 0 0 0 0 0 0 + +Total # of neighbors = 37 +Ave neighs/atom = 3.7000000 +Ave special neighs/atom = 3.6000000 +Neighbor list builds = 1000 +Dangerous builds = 0 + +write_data last_config.${number}.* nocoeff +write_data last_config.3.* nocoeff +System init for write_data ... +#write_restart last_config.${number}.* +Total wall time: 0:00:16 diff --git a/examples/PACKAGES/cgdna/examples/oxDNA2/duplex3/log.2Jul21.duplex3.g++.4 b/examples/PACKAGES/cgdna/examples/oxDNA2/duplex3/log.2Jul21.duplex3.g++.4 new file mode 100644 index 0000000000..a197afadb9 --- /dev/null +++ b/examples/PACKAGES/cgdna/examples/oxDNA2/duplex3/log.2Jul21.duplex3.g++.4 @@ -0,0 +1,1181 @@ +LAMMPS (2 Jul 2021) +variable number equal 3 +variable ofreq equal 1000 +variable efreq equal 1000 +variable T equal 0.1 +variable rhos equal 0.2 + +units lj + +dimension 3 + +newton on + +boundary p p p + +atom_style hybrid bond ellipsoid oxdna +WARNING: Atom style hybrid defines both, per-type and per-atom masses; both must be set, but only per-atom masses will be used (../atom_vec_hybrid.cpp:157) +atom_modify sort 0 1.0 + +# Pair interactions require lists of neighbours to be calculated +neighbor 2.0 bin +neigh_modify every 1 delay 0 check yes + +read_data data.duplex3 +Reading data file ... + orthogonal box = (-20.000000 -20.000000 -20.000000) to (20.000000 20.000000 20.000000) + 1 by 2 by 2 MPI processor grid + reading atoms ... + 10 atoms + reading velocities ... + 10 velocities + scanning bonds ... + 1 = max bonds/atom + 10 ellipsoids + reading bonds ... + 8 bonds +Finding 1-2 1-3 1-4 neighbors ... + special bond factors lj: 0 0 0 + special bond factors coul: 0 0 0 + 2 = max # of 1-2 neighbors + 2 = max # of 1-3 neighbors + 2 = max # of 1-4 neighbors + 4 = max # of special neighbors + special bonds CPU = 0.001 seconds + read_data CPU = 0.005 seconds + +set atom * mass 1.0 +Setting atom values ... + 10 settings made for mass + +group all type 1 4 +10 atoms in group all + +# oxDNA2 bond interactions - FENE backbone +bond_style oxdna2/fene +bond_coeff * 2.0 0.25 0.7564 +special_bonds lj 0 1 1 +Finding 1-2 1-3 1-4 neighbors ... + special bond factors lj: 0 1 1 + special bond factors coul: 0 0 0 + 2 = max # of 1-2 neighbors + 2 = max # of 1-3 neighbors + 2 = max # of 1-4 neighbors + 4 = max # of special neighbors + special bonds CPU = 0.000 seconds + +# oxDNA2 pair interactions +pair_style hybrid/overlay oxdna2/excv oxdna2/stk oxdna2/hbond oxdna2/xstk oxdna2/coaxstk oxdna2/dh +pair_coeff * * oxdna2/excv 2.0 0.7 0.675 2.0 0.515 0.5 2.0 0.33 0.32 +pair_coeff * * oxdna2/stk seqdep ${T} 1.3523 2.6717 6.0 0.4 0.9 0.32 0.75 1.3 0 0.8 0.9 0 0.95 0.9 0 0.95 2.0 0.65 2.0 0.65 +pair_coeff * * oxdna2/stk seqdep 0.1 1.3523 2.6717 6.0 0.4 0.9 0.32 0.75 1.3 0 0.8 0.9 0 0.95 0.9 0 0.95 2.0 0.65 2.0 0.65 +pair_coeff * * oxdna2/hbond seqdep 0.0 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 +pair_coeff 1 4 oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 +pair_coeff 2 3 oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 +pair_coeff * * oxdna2/xstk 47.5 0.575 0.675 0.495 0.655 2.25 0.791592653589793 0.58 1.7 1.0 0.68 1.7 1.0 0.68 1.5 0 0.65 1.7 0.875 0.68 1.7 0.875 0.68 +pair_coeff * * oxdna2/coaxstk 58.5 0.4 0.6 0.22 0.58 2.0 2.891592653589793 0.65 1.3 0 0.8 0.9 0 0.95 0.9 0 0.95 40.0 3.116592653589793 +pair_coeff * * oxdna2/dh ${T} ${rhos} 0.815 +pair_coeff * * oxdna2/dh 0.1 ${rhos} 0.815 +pair_coeff * * oxdna2/dh 0.1 0.2 0.815 + +# NVE ensemble +fix 1 all nve/asphere +#fix 2 all langevin ${T} ${T} 2.5 457145 angmom 10 + +timestep 1e-5 + +#comm_style tiled +fix 3 all balance 1000 1.03 shift xyz 10 1.03 +comm_modify cutoff 3.8 + +compute quat all property/atom quatw quati quatj quatk + +compute erot all erotate/asphere +compute ekin all ke +compute epot all pe +variable erot equal c_erot +variable ekin equal c_ekin +variable epot equal c_epot +variable etot equal c_erot+c_ekin+c_epot +fix 5 all print ${efreq} "$(step) ekin = ${ekin} | erot = ${erot} | epot = ${epot} | etot = ${etot}" screen yes +fix 5 all print 1000 "$(step) ekin = ${ekin} | erot = ${erot} | epot = ${epot} | etot = ${etot}" screen yes + +dump out all custom ${ofreq} out.${number}.lammpstrj id mol type x y z ix iy iz vx vy vz c_quat[1] c_quat[2] c_quat[3] c_quat[4] angmomx angmomy angmomz +dump out all custom 1000 out.${number}.lammpstrj id mol type x y z ix iy iz vx vy vz c_quat[1] c_quat[2] c_quat[3] c_quat[4] angmomx angmomy angmomz +dump out all custom 1000 out.3.lammpstrj id mol type x y z ix iy iz vx vy vz c_quat[1] c_quat[2] c_quat[3] c_quat[4] angmomx angmomy angmomz +dump_modify out sort id +dump_modify out format line "%d %d %d %22.15le %22.15le %22.15le %d %d %d %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le" + +run 1000000 +Neighbor list info ... + update every 1 steps, delay 0 steps, check yes + max neighbors/atom: 2000, page size: 100000 + master list distance cutoff = 5.6389877 + ghost atom cutoff = 5.6389877 + binsize = 2.8194939, bins = 15 15 15 + 5 neighbor lists, perpetual/occasional/extra = 5 0 0 + (1) pair oxdna2/excv, perpetual + attributes: half, newton on + pair build: half/bin/newton + stencil: half/bin/3d + bin: standard + (2) pair oxdna2/hbond, perpetual, copy from (1) + attributes: half, newton on + pair build: copy + stencil: none + bin: none + (3) pair oxdna2/xstk, perpetual, copy from (1) + attributes: half, newton on + pair build: copy + stencil: none + bin: none + (4) pair oxdna2/coaxstk, perpetual, copy from (1) + attributes: half, newton on + pair build: copy + stencil: none + bin: none + (5) pair oxdna2/dh, perpetual, copy from (1) + attributes: half, newton on + pair build: copy + stencil: none + bin: none +WARNING: Communication cutoff adjusted to 5.638987723814632 (../comm.cpp:739) +0 ekin = 1.18025158324274 | erot = 2.17908479136507 | epot = -11.4931199991265 | etot = -8.13378362451868 +Per MPI rank memory allocation (min/avg/max) = 9.194 | 9.195 | 9.196 Mbytes +Step Temp E_pair E_mol TotEng Press Volume + 0 0.087426043 -1.2259004 0.076588446 -1.0312868 -7.7802026e-06 64000 +1000 ekin = 1.08696491147664 | erot = 2.23197650714075 | epot = -11.452725042513 | etot = -8.13378362389561 +2000 ekin = 1.01265115460251 | erot = 2.29132031278141 | epot = -11.4377550908153 | etot = -8.13378362343137 +3000 ekin = 0.964951920610342 | erot = 2.35614244814783 | epot = -11.4548779921655 | etot = -8.13378362340729 +4000 ekin = 0.945861179227058 | erot = 2.42482489276793 | epot = -11.5044696957622 | etot = -8.13378362376717 +5000 ekin = 0.952186940161504 | erot = 2.49508744948286 | epot = -11.5810580140497 | etot = -8.13378362440532 +6000 ekin = 0.976836955567211 | erot = 2.56435791368455 | epot = -11.6749784943528 | etot = -8.13378362510108 +7000 ekin = 1.01151727363089 | erot = 2.63034980765841 | epot = -11.7756507069157 | etot = -8.13378362562635 +8000 ekin = 1.04963768886881 | erot = 2.69159648304403 | epot = -11.8750177977506 | etot = -8.13378362583779 +9000 ekin = 1.08831406483909 | erot = 2.7476875765064 | epot = -11.9697852671577 | etot = -8.13378362581222 +10000 ekin = 1.1276989465442 | erot = 2.79881902231421 | epot = -12.0603015945015 | etot = -8.13378362564307 +11000 ekin = 1.16997706279087 | erot = 2.84539220453503 | epot = -12.1491528928088 | etot = -8.13378362548286 +12000 ekin = 1.21772825403559 | erot = 2.88753582693542 | epot = -12.2390477064188 | etot = -8.13378362544779 +13000 ekin = 1.27247277648631 | erot = 2.92478423931377 | epot = -12.3310406413903 | etot = -8.13378362559027 +14000 ekin = 1.33384628320076 | erot = 2.95599632290761 | epot = -12.4236262320194 | etot = -8.13378362591099 +15000 ekin = 1.39936071611668 | erot = 2.97947113417331 | epot = -12.5126154766852 | etot = -8.13378362639519 +16000 ekin = 1.46443870928027 | erot = 2.99312358077428 | epot = -12.5913459174141 | etot = -8.13378362735951 +17000 ekin = 1.52113741921511 | erot = 2.99430260105833 | epot = -12.6492236482457 | etot = -8.13378362797221 +18000 ekin = 1.56143918576788 | erot = 2.98098620608842 | epot = -12.6762090203243 | etot = -8.13378362846798 +19000 ekin = 1.57873438318795 | erot = 2.95206674454555 | epot = -12.6645847564925 | etot = -8.13378362875896 +20000 ekin = 1.5684134805379 | erot = 2.90735147312956 | epot = -12.6095485824457 | etot = -8.13378362877826 +21000 ekin = 1.52886464109306 | erot = 2.84765291368977 | epot = -12.5103011832755 | etot = -8.13378362849271 +22000 ekin = 1.46209217703486 | erot = 2.77478397647197 | epot = -12.3706597813888 | etot = -8.13378362788196 +23000 ekin = 1.37376733102671 | erot = 2.69155728313726 | epot = -12.19910824124 | etot = -8.13378362707598 +24000 ekin = 1.2726210989079 | erot = 2.60118350194755 | epot = -12.0075882269999 | etot = -8.13378362614448 +25000 ekin = 1.16926502294374 | erot = 2.50703692695189 | epot = -11.8100855751045 | etot = -8.13378362520882 +26000 ekin = 1.0747148994514 | erot = 2.41235840152813 | epot = -11.6208569253575 | etot = -8.13378362437793 +27000 ekin = 0.998982995755802 | erot = 2.31997753232675 | epot = -11.4527441518068 | etot = -8.13378362372427 +28000 ekin = 0.950065052892287 | erot = 2.23215621537587 | epot = -11.3160048915418 | etot = -8.13378362327369 +29000 ekin = 0.933483801722537 | erot = 2.15056100102974 | epot = -11.2178284257647 | etot = -8.13378362301238 +30000 ekin = 0.952335164335975 | erot = 2.07633501131221 | epot = -11.1624537985557 | etot = -8.13378362290752 +31000 ekin = 1.00761822011308 | erot = 2.01025995539433 | epot = -11.1516617984318 | etot = -8.13378362292438 +32000 ekin = 1.0985902731647 | erot = 1.95287201474931 | epot = -11.1852459109706 | etot = -8.13378362305661 +33000 ekin = 1.22296348257683 | erot = 1.90442653272443 | epot = -11.2611736386123 | etot = -8.13378362331101 +34000 ekin = 1.37683793249572 | erot = 1.86498336105431 | epot = -11.3756049172809 | etot = -8.13378362373086 +35000 ekin = 1.55422271443446 | erot = 1.83436013830194 | epot = -11.5223664771472 | etot = -8.13378362441081 +36000 ekin = 1.74589607048132 | erot = 1.81205442227468 | epot = -11.6917341182487 | etot = -8.13378362549269 +37000 ekin = 1.93777565280851 | erot = 1.79705197600555 | epot = -11.8686112558402 | etot = -8.13378362702612 +38000 ekin = 2.11051089015033 | erot = 1.78782890330243 | epot = -12.0321234221669 | etot = -8.13378362871418 +39000 ekin = 2.243214825885 | erot = 1.78271510837241 | epot = -12.1597135641246 | etot = -8.13378362986722 +40000 ekin = 2.32146151921631 | erot = 1.78073283005134 | epot = -12.2359779791649 | etot = -8.13378362989725 +41000 ekin = 2.34386750101373 | erot = 1.78241563043123 | epot = -12.2600667603299 | etot = -8.13378362888493 +42000 ekin = 2.32118218527075 | erot = 1.78979050959087 | epot = -12.2447563223398 | etot = -8.13378362747816 +43000 ekin = 2.26309111555125 | erot = 1.80539262076482 | epot = -12.2022673943963 | etot = -8.13378365808021 +44000 ekin = 2.15856242114809 | erot = 1.84609032619615 | epot = -12.1384363880308 | etot = -8.13378364068658 +45000 ekin = 2.08936731003487 | erot = 1.88904724563043 | epot = -12.1121981822921 | etot = -8.13378362662681 +46000 ekin = 1.99646115970022 | erot = 1.93503982400429 | epot = -12.0652846104763 | etot = -8.1337836267718 +47000 ekin = 1.89712577412015 | erot = 1.98806984898585 | epot = -12.0189792501524 | etot = -8.13378362704636 +48000 ekin = 1.79036864863072 | erot = 2.04496273496234 | epot = -11.9691150108766 | etot = -8.13378362728355 +49000 ekin = 1.67630116263911 | erot = 2.10216327906906 | epot = -11.9122480690704 | etot = -8.13378362736221 +50000 ekin = 1.55727015247045 | erot = 2.15637892895976 | epot = -11.8474327086503 | etot = -8.13378362722008 +51000 ekin = 1.4381743370913 | erot = 2.20514040032689 | epot = -11.7770983642844 | etot = -8.13378362686622 +52000 ekin = 1.32596547232163 | erot = 2.24710946474999 | epot = -11.7068585634504 | etot = -8.13378362637881 +53000 ekin = 1.22848082922903 | erot = 2.28204759210372 | epot = -11.6443120472107 | etot = -8.13378362587798 +54000 ekin = 1.15295119316259 | erot = 2.3104993393988 | epot = -11.5972341580452 | etot = -8.13378362548376 +55000 ekin = 1.10463170766313 | erot = 2.33334681406831 | epot = -11.571762147013 | etot = -8.13378362528157 +56000 ekin = 1.08590799517315 | erot = 2.35139880092321 | epot = -11.5710904214037 | etot = -8.13378362530734 +57000 ekin = 1.09599893485478 | erot = 2.36511154450522 | epot = -11.5948941049138 | etot = -8.1337836255538 +58000 ekin = 1.13119803470991 | erot = 2.37445830578809 | epot = -11.6394399664723 | etot = -8.13378362597432 +59000 ekin = 1.18549837183894 | erot = 2.37891691863227 | epot = -11.6981989169902 | etot = -8.13378362651899 +60000 ekin = 1.25136230662749 | erot = 2.37755306615245 | epot = -11.7626989998987 | etot = -8.13378362711876 +61000 ekin = 1.32065657328793 | erot = 2.3691782337931 | epot = -11.8236184347914 | etot = -8.13378362771039 +62000 ekin = 1.38555350991065 | erot = 2.35258911579053 | epot = -11.8719262538941 | etot = -8.13378362819294 +63000 ekin = 1.43966787267647 | erot = 2.32682848519598 | epot = -11.9002799863551 | etot = -8.13378362848263 +64000 ekin = 1.47909503438172 | erot = 2.29144993715399 | epot = -11.9043286000692 | etot = -8.13378362853349 +65000 ekin = 1.50288049774094 | erot = 2.24670960905117 | epot = -11.8833737351503 | etot = -8.13378362835817 +66000 ekin = 1.51274507599017 | erot = 2.19359684183002 | epot = -11.8401255458511 | etot = -8.13378362803096 +67000 ekin = 1.51208659633012 | erot = 2.13371356874814 | epot = -11.7795837927186 | etot = -8.13378362764037 +68000 ekin = 1.50462166617941 | erot = 2.06904733139783 | epot = -11.7074526249094 | etot = -8.13378362733216 +69000 ekin = 1.49293889166146 | erot = 2.00167765430525 | epot = -11.6284001731037 | etot = -8.13378362713704 +70000 ekin = 1.47793621174629 | erot = 1.9336121006037 | epot = -11.5453319394057 | etot = -8.13378362705566 +71000 ekin = 1.45891349102836 | erot = 1.86670994694693 | epot = -11.4594070650147 | etot = -8.13378362703941 +72000 ekin = 1.43427842101617 | erot = 1.80270883809016 | epot = -11.3707708861217 | etot = -8.13378362701539 +73000 ekin = 1.40258583891027 | erot = 1.74331039193086 | epot = -11.2796798577523 | etot = -8.13378362691117 +74000 ekin = 1.36359371155278 | erot = 1.69025647754913 | epot = -11.1876338157824 | etot = -8.13378362668049 +75000 ekin = 1.31886252565211 | erot = 1.64533820718023 | epot = -11.0979843591719 | etot = -8.13378362633955 +76000 ekin = 1.2718169277375 | erot = 1.61030043593589 | epot = -11.0159009896016 | etot = -8.13378362592821 +77000 ekin = 1.22767338921997 | erot = 1.58670952555607 | epot = -10.9481665402837 | etot = -8.13378362550769 +78000 ekin = 1.1918742588196 | erot = 1.57555521121131 | epot = -10.9012130952119 | etot = -8.13378362518096 +79000 ekin = 1.16922470588802 | erot = 1.57716601534091 | epot = -10.8801743462043 | etot = -8.13378362497538 +80000 ekin = 1.16351312193714 | erot = 1.5911285277542 | epot = -10.8884252746037 | etot = -8.13378362491238 +81000 ekin = 1.17709123428917 | erot = 1.61633850893099 | epot = -10.9272133682122 | etot = -8.13378362499208 +82000 ekin = 1.21064005584001 | erot = 1.65118762576698 | epot = -10.9956113068163 | etot = -8.13378362520929 +83000 ekin = 1.26297331742712 | erot = 1.69382675572852 | epot = -11.0905836987111 | etot = -8.1337836255555 +84000 ekin = 1.33092648687644 | erot = 1.74243133123679 | epot = -11.2071414441145 | etot = -8.13378362600128 +85000 ekin = 1.40961218427353 | erot = 1.79540640337827 | epot = -11.3388022141306 | etot = -8.13378362647884 +86000 ekin = 1.49330005467918 | erot = 1.85150064414015 | epot = -11.4785843257055 | etot = -8.13378362688614 +87000 ekin = 1.576533807167 | erot = 1.90982169886832 | epot = -11.6201391333941 | etot = -8.13378362735875 +88000 ekin = 1.65416408678852 | erot = 1.96971725895491 | epot = -11.7576649732587 | etot = -8.13378362751531 +89000 ekin = 1.72360216634173 | erot = 2.0305593433754 | epot = -11.8879451373051 | etot = -8.13378362758797 +90000 ekin = 1.78500984589386 | erot = 2.09126219979614 | epot = -12.0100556734368 | etot = -8.1337836277468 +91000 ekin = 1.83789001415873 | erot = 2.15001837237371 | epot = -12.1216920145423 | etot = -8.13378362800981 +92000 ekin = 1.87517809322855 | erot = 2.20985483887557 | epot = -12.2188165602807 | etot = -8.13378362817655 +93000 ekin = 1.90356384535066 | erot = 2.2620490304799 | epot = -12.2993965046582 | etot = -8.13378362882767 +94000 ekin = 1.91566641673035 | erot = 2.30892488078309 | epot = -12.3583749263617 | etot = -8.13378362884821 +95000 ekin = 1.91095769383997 | erot = 2.34997522030035 | epot = -12.3947165431016 | etot = -8.13378362896126 +96000 ekin = 1.88948402498892 | erot = 2.38411475951092 | epot = -12.4073824132812 | etot = -8.13378362878136 +97000 ekin = 1.8534381113389 | erot = 2.4113304629225 | epot = -12.3985522027172 | etot = -8.13378362845576 +98000 ekin = 1.80684275230266 | erot = 2.43203206054847 | epot = -12.3726584408919 | etot = -8.1337836280408 +99000 ekin = 1.75478641123165 | erot = 2.44692977736858 | epot = -12.3354998162076 | etot = -8.13378362760738 +100000 ekin = 1.69590911435643 | erot = 2.45386958409513 | epot = -12.283562384886 | etot = -8.13378368643445 +101000 ekin = 1.6811324937538 | erot = 2.36572534112421 | epot = -12.1806414642157 | etot = -8.13378362933768 +102000 ekin = 1.72678565900148 | erot = 2.35051337712506 | epot = -12.2110826965911 | etot = -8.13378366046458 +103000 ekin = 1.68338599487686 | erot = 2.35411811039608 | epot = -12.1712877656954 | etot = -8.13378366042246 +104000 ekin = 1.64323586412835 | erot = 2.35701648102718 | epot = -12.1340360056525 | etot = -8.13378366049693 +105000 ekin = 1.60584113472038 | erot = 2.35932964102244 | epot = -12.0989544363536 | etot = -8.13378366061083 +106000 ekin = 1.57044138011792 | erot = 2.36092776943215 | epot = -12.0651528102269 | etot = -8.13378366067683 +107000 ekin = 1.53705400250956 | erot = 2.36166253248183 | epot = -12.0325001956586 | etot = -8.13378366066723 +108000 ekin = 1.50696391591104 | erot = 2.3612855734918 | epot = -12.002033149985 | etot = -8.13378366058219 +109000 ekin = 1.48244426546626 | erot = 2.35938088270983 | epot = -11.9756088087055 | etot = -8.13378366052944 +110000 ekin = 1.46539913148031 | erot = 2.35530683146138 | epot = -11.9544896235797 | etot = -8.13378366063801 +111000 ekin = 1.45548748017558 | erot = 2.3481806560607 | epot = -11.9374517972408 | etot = -8.13378366100448 +112000 ekin = 1.4487272961288 | erot = 2.3369554826693 | epot = -11.919466440375 | etot = -8.13378366157695 +113000 ekin = 1.43805495586415 | erot = 2.32068695509381 | epot = -11.8925255730874 | etot = -8.13378366212947 +114000 ekin = 1.41640788690795 | erot = 2.29883886662097 | epot = -11.8490304158908 | etot = -8.13378366236189 +115000 ekin = 1.38063781822003 | erot = 2.2715321857329 | epot = -11.7859536655159 | etot = -8.13378366156294 +116000 ekin = 1.33630540308347 | erot = 2.23942220246118 | epot = -11.7095112666476 | etot = -8.13378366110297 +117000 ekin = 1.29001229198257 | erot = 2.20380811829898 | epot = -11.6276040708685 | etot = -8.13378366058698 +118000 ekin = 1.24711548834684 | erot = 2.16635124019896 | epot = -11.547250388778 | etot = -8.13378366023218 +119000 ekin = 1.21073685469405 | erot = 2.12872161390259 | epot = -11.4732421286718 | etot = -8.13378366007513 +120000 ekin = 1.18115748419431 | erot = 2.09256534610062 | epot = -11.4075064903308 | etot = -8.13378366003586 +121000 ekin = 1.15688642101089 | erot = 2.05947511288393 | epot = -11.3501451939318 | etot = -8.13378366003694 +122000 ekin = 1.13593168276758 | erot = 2.03084061403904 | epot = -11.300555956866 | etot = -8.13378366005934 +123000 ekin = 1.1163881196593 | erot = 2.00761097209062 | epot = -11.2577827519207 | etot = -8.13378366017078 +124000 ekin = 1.09616325371728 | erot = 1.99019695902079 | epot = -11.2201438730119 | etot = -8.13378366027383 +125000 ekin = 1.07358508996113 | erot = 1.97820026039375 | epot = -11.1855690107833 | etot = -8.13378366042845 +126000 ekin = 1.04712198978478 | erot = 1.97030937007251 | epot = -11.1512150205178 | etot = -8.13378366066049 +127000 ekin = 1.01560359550503 | erot = 1.96476336054365 | epot = -11.1141506168029 | etot = -8.1337836607542 +128000 ekin = 0.979281846651978 | erot = 1.95990906194981 | epot = -11.0729745693078 | etot = -8.133783660706 +129000 ekin = 0.940294043229548 | erot = 1.95428772921589 | epot = -11.0283654329015 | etot = -8.1337836604561 +130000 ekin = 0.902735823606936 | erot = 1.947100477648 | epot = -10.9836199613555 | etot = -8.13378366010058 +131000 ekin = 0.872329759139433 | erot = 1.93820575526869 | epot = -10.9443191739575 | etot = -8.1337836595494 +132000 ekin = 0.855045600562102 | erot = 1.92803271303728 | epot = -10.9168619728701 | etot = -8.1337836592707 +133000 ekin = 0.854775562822548 | erot = 1.91694878881008 | epot = -10.9055080107093 | etot = -8.13378365907667 +134000 ekin = 0.873981086379087 | erot = 1.90549522489496 | epot = -10.9132599702542 | etot = -8.13378365898011 +135000 ekin = 0.913690181742188 | erot = 1.89429118508561 | epot = -10.9417650257953 | etot = -8.1337836589675 +136000 ekin = 0.973734451666194 | erot = 1.8839532178428 | epot = -10.9914713285366 | etot = -8.13378365902762 +137000 ekin = 1.05255313136017 | erot = 1.87488800080408 | epot = -11.0612247920069 | etot = -8.13378365984268 +138000 ekin = 1.14435249948622 | erot = 1.86626897212079 | epot = -11.1444051316866 | etot = -8.13378366007961 +139000 ekin = 1.24448357091432 | erot = 1.85821435006774 | epot = -11.2364815813249 | etot = -8.13378366034282 +140000 ekin = 1.34860347563852 | erot = 1.85113522079134 | epot = -11.3335223570946 | etot = -8.13378366066476 +141000 ekin = 1.45162669266417 | erot = 1.84534635451933 | epot = -11.4307567082686 | etot = -8.13378366108508 +142000 ekin = 1.54663919844615 | erot = 1.84103156950911 | epot = -11.5214544297506 | etot = -8.13378366179533 +143000 ekin = 1.6247011023952 | erot = 1.83813053702612 | epot = -11.5966153018878 | etot = -8.13378366246652 +144000 ekin = 1.67710589256394 | erot = 1.83622813336412 | epot = -11.6471176890273 | etot = -8.13378366309928 +145000 ekin = 1.69650852159151 | erot = 1.83477115527455 | epot = -11.6650633403362 | etot = -8.13378366347012 +146000 ekin = 1.67998250270751 | erot = 1.83334306418687 | epot = -11.6471092301937 | etot = -8.13378366329936 +147000 ekin = 1.63255928725608 | erot = 1.83204496823004 | epot = -11.5983879178797 | etot = -8.13378366239362 +148000 ekin = 1.56926257377557 | erot = 1.83182914755798 | epot = -11.5348753821899 | etot = -8.13378366085638 +149000 ekin = 1.51300824977863 | erot = 1.83452727994331 | epot = -11.4813191889272 | etot = -8.13378365920525 +150000 ekin = 1.48724963784866 | erot = 1.84235837448582 | epot = -11.4633916705196 | etot = -8.13378365818515 +151000 ekin = 1.5061932382316 | erot = 1.85697474829986 | epot = -11.496951644838 | etot = -8.13378365830658 +152000 ekin = 1.56855992602772 | erot = 1.87847282638524 | epot = -11.5808164119039 | etot = -8.13378365949099 +153000 ekin = 1.6591448964677 | erot = 1.90493735115943 | epot = -11.697865908774 | etot = -8.13378366114692 +154000 ekin = 1.75680978950899 | erot = 1.93282846213588 | epot = -11.8234219142239 | etot = -8.133783662579 +155000 ekin = 1.84344901658549 | erot = 1.95802697046865 | epot = -11.9352596504351 | etot = -8.13378366338094 +156000 ekin = 1.90893795388493 | erot = 1.97697594926094 | epot = -12.0196975667227 | etot = -8.13378366357679 +157000 ekin = 1.95061494385915 | erot = 1.9873851243352 | epot = -12.0717837316318 | etot = -8.13378366343743 +158000 ekin = 1.96976178337645 | erot = 1.9883744718149 | epot = -12.091919918361 | etot = -8.13378366316969 +159000 ekin = 1.96892634677104 | erot = 1.98033790354824 | epot = -12.0830479131009 | etot = -8.13378366278165 +160000 ekin = 1.95167601805768 | erot = 1.96478101829964 | epot = -12.0502406985796 | etot = -8.13378366222225 +161000 ekin = 1.92323849263564 | erot = 1.94408396543497 | epot = -12.0011061196151 | etot = -8.13378366154445 +162000 ekin = 1.8901278513965 | erot = 1.92106669306924 | epot = -11.9449782053576 | etot = -8.13378366089191 +163000 ekin = 1.85873206626091 | erot = 1.89844726529898 | epot = -11.8909629919499 | etot = -8.13378366038998 +164000 ekin = 1.83396756863653 | erot = 1.87841814938188 | epot = -11.8461693781051 | etot = -8.1337836600867 +165000 ekin = 1.818736578138 | erot = 1.86247026312254 | epot = -11.8149905012176 | etot = -8.13378365995705 +166000 ekin = 1.81415764355048 | erot = 1.85144128795262 | epot = -11.799382591449 | etot = -8.13378365994594 +167000 ekin = 1.82014338462565 | erot = 1.84569577974701 | epot = -11.7996228243641 | etot = -8.13378365999149 +168000 ekin = 1.8360497359111 | erot = 1.84534918673544 | epot = -11.8151825826915 | etot = -8.13378366004491 +169000 ekin = 1.8611880780384 | erot = 1.8504776642993 | epot = -11.845449402414 | etot = -8.13378366007634 +170000 ekin = 1.89508209491969 | erot = 1.8612760074506 | epot = -11.8901417624545 | etot = -8.13378366008421 +171000 ekin = 1.93739070093696 | erot = 1.87813927221188 | epot = -11.949313633246 | etot = -8.1337836600972 +172000 ekin = 1.98746465492625 | erot = 1.90165699566223 | epot = -12.0229053107604 | etot = -8.13378366017191 +173000 ekin = 2.0435873226069 | erot = 1.93252470914531 | epot = -12.1098956921186 | etot = -8.13378366036636 +174000 ekin = 2.10212586880676 | erot = 1.97139111366206 | epot = -12.2073006432572 | etot = -8.13378366078839 +175000 ekin = 2.15653164019917 | erot = 2.0186862399753 | epot = -12.3090015416391 | etot = -8.13378366146463 +176000 ekin = 2.19700590631335 | erot = 2.0744451769465 | epot = -12.4052347456362 | etot = -8.1337836623764 +177000 ekin = 2.21275117726769 | erot = 2.13809655452378 | epot = -12.4846313951125 | etot = -8.13378366332099 +178000 ekin = 2.19103084137828 | erot = 2.20849637361952 | epot = -12.5333108794538 | etot = -8.13378366445596 +179000 ekin = 2.05002958755744 | erot = 2.2764749240598 | epot = -12.4602881626295 | etot = -8.13378365101223 +180000 ekin = 2.00100366281057 | erot = 2.36086155180657 | epot = -12.4956488860912 | etot = -8.13378367147401 +181000 ekin = 1.82885344502769 | erot = 2.44444025932807 | epot = -12.4070773745346 | etot = -8.13378367017883 +182000 ekin = 1.62724610560531 | erot = 2.53221325513969 | epot = -12.2932430288223 | etot = -8.13378366807729 +183000 ekin = 1.42880501135615 | erot = 2.62540058534439 | epot = -12.1879892625424 | etot = -8.13378366584191 +184000 ekin = 1.267149628321 | erot = 2.7256198185053 | epot = -12.1265531111189 | etot = -8.13378366429257 +185000 ekin = 1.16606552757999 | erot = 2.8336645073234 | epot = -12.1335136988434 | etot = -8.13378366393999 +186000 ekin = 1.13327188784992 | erot = 2.94811459460617 | epot = -12.2151701472133 | etot = -8.13378366475719 +187000 ekin = 1.16127663962737 | erot = 3.06454091657788 | epot = -12.3596012225496 | etot = -8.13378366634434 +188000 ekin = 1.2327579922885 | erot = 3.17578119614224 | epot = -12.5423228566653 | etot = -8.13378366823452 +189000 ekin = 1.32637276316298 | erot = 3.27316596760534 | epot = -12.7333224008259 | etot = -8.13378367005761 +190000 ekin = 1.42100795809019 | erot = 3.34817980173611 | epot = -12.902971431372 | etot = -8.13378367154568 +191000 ekin = 1.49794111550009 | erot = 3.39410379075282 | epot = -13.0258285788627 | etot = -8.13378367260982 +192000 ekin = 1.5426215667976 | erot = 3.40720165429128 | epot = -13.0836068940668 | etot = -8.13378367297792 +193000 ekin = 1.54797240883541 | erot = 3.38715231466011 | epot = -13.0689083961188 | etot = -8.13378367262329 +194000 ekin = 1.51467582661435 | erot = 3.33705387754585 | epot = -12.9855133757546 | etot = -8.13378367159441 +195000 ekin = 1.45101621748176 | erot = 3.26269312885055 | epot = -12.8474930164449 | etot = -8.13378367011259 +196000 ekin = 1.37083042970682 | erot = 3.17132041678729 | epot = -12.6759345149981 | etot = -8.133783668504 +197000 ekin = 1.29009120536618 | erot = 3.0703626593562 | epot = -12.4942375317725 | etot = -8.13378366705012 +198000 ekin = 1.22364196643859 | erot = 2.96652382643828 | epot = -12.3239494587807 | etot = -8.13378366590384 +199000 ekin = 1.18307710083175 | erot = 2.865421442176 | epot = -12.1822822081278 | etot = -8.13378366512006 +200000 ekin = 1.1756434095187 | erot = 2.77158698378605 | epot = -12.0810140580283 | etot = -8.13378366472354 +201000 ekin = 1.20359619391725 | erot = 2.6885691853706 | epot = -12.0259490440283 | etot = -8.13378366474049 +202000 ekin = 1.26374726413798 | erot = 2.61894189739959 | epot = -12.016472826716 | etot = -8.13378366517838 +203000 ekin = 1.34751597563146 | erot = 2.56419616426373 | epot = -12.0454958058707 | etot = -8.13378366597546 +204000 ekin = 1.44203337890041 | erot = 2.52468734318871 | epot = -12.1005043890645 | etot = -8.1337836669754 +205000 ekin = 1.53246038205392 | erot = 2.49972903140467 | epot = -12.165973081407 | etot = -8.13378366794836 +206000 ekin = 1.60510558525696 | erot = 2.48793425280246 | epot = -12.2268235067222 | etot = -8.13378366866277 +207000 ekin = 1.65039556723175 | erot = 2.48771410987715 | epot = -12.2718933460776 | etot = -8.13378366896866 +208000 ekin = 1.66471924263863 | erot = 2.49772662877183 | epot = -12.2962295402585 | etot = -8.133783668848 +209000 ekin = 1.65060780281959 | erot = 2.51706178773879 | epot = -12.3014532589743 | etot = -8.13378366841589 +210000 ekin = 1.61529613530122 | erot = 2.54506818372099 | epot = -12.2941479869024 | etot = -8.13378366788021 +211000 ekin = 1.56815998339919 | erot = 2.58088870847282 | epot = -12.2828323593496 | etot = -8.13378366747755 +212000 ekin = 1.51779769211956 | erot = 2.62289115840002 | epot = -12.2744725179137 | etot = -8.13378366739415 +213000 ekin = 1.46970697786419 | erot = 2.66822787294325 | epot = -12.2717185184992 | etot = -8.13378366769171 +214000 ekin = 1.42551121611962 | erot = 2.71271314915558 | epot = -12.272008033447 | etot = -8.1337836681718 +215000 ekin = 1.38449526701816 | erot = 2.75113858809818 | epot = -12.2694175238344 | etot = -8.13378366871808 +216000 ekin = 1.34611450510728 | erot = 2.77818905444589 | epot = -12.2580872284521 | etot = -8.13378366889897 +217000 ekin = 1.3134815281203 | erot = 2.78964053187616 | epot = -12.236905728556 | etot = -8.13378366855957 +218000 ekin = 1.2945863991961 | erot = 2.7831914510908 | epot = -12.2115615182405 | etot = -8.13378366795361 +219000 ekin = 1.29978448123296 | erot = 2.75785865494158 | epot = -12.191426803609 | etot = -8.13378366743447 +220000 ekin = 1.33694784981974 | erot = 2.71363634301879 | epot = -12.1843678601796 | etot = -8.13378366734106 +221000 ekin = 1.4074564392132 | erot = 2.65092088134167 | epot = -12.1921609882732 | etot = -8.13378366771838 +222000 ekin = 1.50572252626187 | erot = 2.57029476952172 | epot = -12.2098009641054 | etot = -8.13378366832179 +223000 ekin = 1.62210843375939 | erot = 2.4728900733397 | epot = -12.2287821759292 | etot = -8.13378366883007 +224000 ekin = 1.74679393023034 | erot = 2.36097135919196 | epot = -12.2415489584556 | etot = -8.13378366903332 +225000 ekin = 1.87205636330007 | erot = 2.23842454190366 | epot = -12.2442645742128 | etot = -8.13378366900908 +226000 ekin = 1.99134598106675 | erot = 2.11064622098247 | epot = -12.2357758711282 | etot = -8.13378366907897 +227000 ekin = 2.09586639151636 | erot = 1.98364704051012 | epot = -12.2132971015565 | etot = -8.13378366953 +228000 ekin = 2.17197666667354 | erot = 1.86293503717618 | epot = -12.1686953741892 | etot = -8.1337836703395 +229000 ekin = 2.20263173192525 | erot = 1.75265294154551 | epot = -12.0890683445884 | etot = -8.13378367111765 +230000 ekin = 2.17321554606792 | erot = 1.65532359970698 | epot = -11.9623228171272 | etot = -8.13378367135228 +231000 ekin = 2.07854920573096 | erot = 1.57213281486555 | epot = -11.7844656913339 | etot = -8.1337836707374 +232000 ekin = 1.92671195021847 | erot = 1.50340464294684 | epot = -11.5639002625302 | etot = -8.13378366936492 +233000 ekin = 1.73729705955971 | erot = 1.44896834770108 | epot = -11.3200490749305 | etot = -8.13378366766967 +234000 ekin = 1.53556953354756 | erot = 1.40834045937372 | epot = -11.0776936590018 | etot = -8.1337836660805 +235000 ekin = 1.34558700580146 | erot = 1.38078818073773 | epot = -10.8601588514738 | etot = -8.13378366493464 +236000 ekin = 1.18525206422628 | erot = 1.36570263210282 | epot = -10.6847383605462 | etot = -8.13378366421707 +237000 ekin = 1.06637029724417 | erot = 1.36251012102743 | epot = -10.5626640820868 | etot = -8.13378366381525 +238000 ekin = 0.995491212022236 | erot = 1.37070429771324 | epot = -10.4999791734002 | etot = -8.13378366366477 +239000 ekin = 0.975031518633231 | erot = 1.38971384126842 | epot = -10.4985290236714 | etot = -8.13378366376973 +240000 ekin = 1.00352423904904 | erot = 1.41866034024213 | epot = -10.5559682434651 | etot = -8.13378366417394 +241000 ekin = 1.07556704774416 | erot = 1.45612900246819 | epot = -10.6654797151307 | etot = -8.13378366491832 +242000 ekin = 1.18122375067533 | erot = 1.49994629855508 | epot = -10.8149537152557 | etot = -8.13378366602531 +243000 ekin = 1.30634294707673 | erot = 1.54703331020128 | epot = -10.9871599246195 | etot = -8.13378366734153 +244000 ekin = 1.43466609576387 | erot = 1.59374373480315 | epot = -11.1621934990229 | etot = -8.13378366845588 +245000 ekin = 1.55091944171472 | erot = 1.63606515904766 | epot = -11.3207682704767 | etot = -8.13378366971433 +246000 ekin = 1.63963426714789 | erot = 1.67091688012884 | epot = -11.4443348179141 | etot = -8.13378367063734 +247000 ekin = 1.68912292676274 | erot = 1.69643192578783 | epot = -11.519338523591 | etot = -8.13378367104043 +248000 ekin = 1.69418623366615 | erot = 1.71223298155225 | epot = -11.5402028860562 | etot = -8.13378367083777 +249000 ekin = 1.65708464250019 | erot = 1.71943097162832 | epot = -11.510299284324 | etot = -8.13378367019547 +250000 ekin = 1.58639864685258 | erot = 1.720159822896 | epot = -11.4403421388633 | etot = -8.13378366911475 +251000 ekin = 1.4955593640759 | erot = 1.7171607244027 | epot = -11.3465037564439 | etot = -8.13378366796528 +252000 ekin = 1.39930346630535 | erot = 1.71298107622824 | epot = -11.2460682095265 | etot = -8.13378366699295 +253000 ekin = 1.31034898359087 | erot = 1.7094909345967 | epot = -11.1536235845393 | etot = -8.13378366635176 +254000 ekin = 1.23716194122791 | erot = 1.70776552340203 | epot = -11.0787111307296 | etot = -8.13378366609963 +255000 ekin = 1.18305733844651 | erot = 1.70821467485129 | epot = -11.0250556794461 | etot = -8.13378366614825 +256000 ekin = 1.14729363432147 | erot = 1.71063275158191 | epot = -10.991710052286 | etot = -8.13378366638265 +257000 ekin = 1.1265046010806 | erot = 1.71454195552783 | epot = -10.9748302232593 | etot = -8.13378366665083 +258000 ekin = 1.11669715917377 | erot = 1.71938873503276 | epot = -10.9698695610614 | etot = -8.13378366685484 +259000 ekin = 1.11461746403468 | erot = 1.72463904931047 | epot = -10.9730401803333 | etot = -8.13378366698814 +260000 ekin = 1.11796213299025 | erot = 1.72976096813917 | epot = -10.9815067682326 | etot = -8.13378366710316 +261000 ekin = 1.12495929560688 | erot = 1.73429797646783 | epot = -10.9930409392085 | etot = -8.1337836671338 +262000 ekin = 1.13415334886842 | erot = 1.73799782227169 | epot = -11.0059348383766 | etot = -8.13378366723648 +263000 ekin = 1.1441924865794 | erot = 1.74014341283961 | epot = -11.0181195666666 | etot = -8.13378366724758 +264000 ekin = 1.15486713033337 | erot = 1.74014049676735 | epot = -11.0287912942205 | etot = -8.13378366711974 +265000 ekin = 1.16757148072827 | erot = 1.73774643956195 | epot = -11.0391015871675 | etot = -8.1337836668773 +266000 ekin = 1.18492523335162 | erot = 1.73313774545438 | epot = -11.0518466454068 | etot = -8.13378366660083 +267000 ekin = 1.20976553809282 | erot = 1.7268208539046 | epot = -11.0703700583789 | etot = -8.13378366638147 +268000 ekin = 1.2440311190649 | erot = 1.71946869065553 | epot = -11.0972834760054 | etot = -8.13378366628496 +269000 ekin = 1.28796807043956 | erot = 1.71176934564224 | epot = -11.1335210824187 | etot = -8.13378366633693 +270000 ekin = 1.33984072254354 | erot = 1.7043411961581 | epot = -11.1779655852252 | etot = -8.13378366652351 +271000 ekin = 1.39615730897264 | erot = 1.69774776465105 | epot = -11.2276887404003 | etot = -8.1337836667766 +272000 ekin = 1.45234426471681 | erot = 1.69276715684855 | epot = -11.2788950886398 | etot = -8.13378366707447 +273000 ekin = 1.50368133071071 | erot = 1.68992546991691 | epot = -11.3273904679427 | etot = -8.1337836673151 +274000 ekin = 1.54639996326974 | erot = 1.68983337629384 | epot = -11.3700170069765 | etot = -8.1337836674129 +275000 ekin = 1.57877490150026 | erot = 1.69332235277881 | epot = -11.4058809216115 | etot = -8.13378366733244 +276000 ekin = 1.60168052284474 | erot = 1.70138855156029 | epot = -11.4368527415036 | etot = -8.13378366709861 +277000 ekin = 1.61832490283932 | erot = 1.7150264260381 | epot = -11.467134995681 | etot = -8.1337836668036 +278000 ekin = 1.63311060675832 | erot = 1.73495415768603 | epot = -11.5018484310241 | etot = -8.13378366657978 +279000 ekin = 1.64995273995069 | erot = 1.76130541528402 | epot = -11.5450418217804 | etot = -8.13378366654569 +280000 ekin = 1.67073877093186 | erot = 1.79339849893625 | epot = -11.5979209366139 | etot = -8.13378366674582 +281000 ekin = 1.69438407984331 | erot = 1.82970064438891 | epot = -11.6578683914543 | etot = -8.13378366722212 +282000 ekin = 1.71376506079771 | erot = 1.86795891950542 | epot = -11.715507648123 | etot = -8.13378366781989 +283000 ekin = 1.72224450523959 | erot = 1.90529068548332 | epot = -11.7613188590643 | etot = -8.13378366834137 +284000 ekin = 1.71505262175737 | erot = 1.93881515489656 | epot = -11.7876514453406 | etot = -8.13378366868666 +285000 ekin = 1.68954869054978 | erot = 1.96608819497607 | epot = -11.7894205543486 | etot = -8.13378366882275 +286000 ekin = 1.64555137746269 | erot = 1.98537597121361 | epot = -11.7647110174504 | etot = -8.1337836687741 +287000 ekin = 1.58495470811888 | erot = 1.99578989882545 | epot = -11.7145282755366 | etot = -8.13378366859229 +288000 ekin = 1.5110176158451 | erot = 1.9972977679296 | epot = -11.6420990521052 | etot = -8.13378366833054 +289000 ekin = 1.42766231980138 | erot = 1.99063899576696 | epot = -11.5520849836022 | etot = -8.13378366803389 +290000 ekin = 1.33894501485583 | erot = 1.97716758999489 | epot = -11.4498962725828 | etot = -8.13378366773207 +291000 ekin = 1.248817211875 | erot = 1.95864649303427 | epot = -11.3412473723318 | etot = -8.13378366742251 +292000 ekin = 1.16137515575165 | erot = 1.9370295819229 | epot = -11.2321884047306 | etot = -8.13378366705601 +293000 ekin = 1.08169833470191 | erot = 1.91427738455886 | epot = -11.1297593858184 | etot = -8.13378366655758 +294000 ekin = 1.01689863825805 | erot = 1.8922324358186 | epot = -11.0429147399744 | etot = -8.13378366589774 +295000 ekin = 0.976377352945052 | erot = 1.87253324957175 | epot = -10.9826942676957 | etot = -8.13378366517893 +296000 ekin = 0.970182395975483 | erot = 1.85650679551204 | epot = -10.9604728561447 | etot = -8.13378366465719 +297000 ekin = 1.0053715181696 | erot = 1.84499118419568 | epot = -10.9841463669915 | etot = -8.13378366462627 +298000 ekin = 1.08200534147073 | erot = 1.83812417716642 | epot = -11.0539131838721 | etot = -8.13378366523492 +299000 ekin = 1.19125189130404 | erot = 1.83519410295209 | epot = -11.1602296606335 | etot = -8.13378366637738 +300000 ekin = 1.31698721062207 | erot = 1.83465168976294 | epot = -11.2854225681332 | etot = -8.13378366774819 +301000 ekin = 1.44008784810256 | erot = 1.83433803116237 | epot = -11.4082095482586 | etot = -8.13378366899367 +302000 ekin = 1.5432954854116 | erot = 1.83190000197301 | epot = -11.508979157225 | etot = -8.13378366984044 +303000 ekin = 1.61484992407947 | erot = 1.82529439833012 | epot = -11.5739279925649 | etot = -8.13378367015528 +304000 ekin = 1.65011047810809 | erot = 1.81324433416556 | epot = -11.5971384822074 | etot = -8.13378366993376 +305000 ekin = 1.6514081436682 | erot = 1.7954949702977 | epot = -11.5806867832572 | etot = -8.13378366929126 +306000 ekin = 1.62643416627235 | erot = 1.77280218913043 | epot = -11.5330200238132 | etot = -8.1337836684104 +307000 ekin = 1.5857750046693 | erot = 1.7466850070714 | epot = -11.4662436792366 | etot = -8.13378366749585 +308000 ekin = 1.54030424866459 | erot = 1.71903801623407 | epot = -11.3931259316147 | etot = -8.13378366671604 +309000 ekin = 1.4990009105043 | erot = 1.69173690590549 | epot = -11.3245214826 | etot = -8.13378366619016 +310000 ekin = 1.46747597212677 | erot = 1.66636932778201 | epot = -11.2676289658518 | etot = -8.13378366594304 +311000 ekin = 1.44771419446782 | erot = 1.64410448875489 | epot = -11.2256023491766 | etot = -8.13378366595387 +312000 ekin = 1.43839141864346 | erot = 1.62568199894977 | epot = -11.1978570837369 | etot = -8.13378366614363 +313000 ekin = 1.43594352566627 | erot = 1.61150443048395 | epot = -11.1812316225614 | etot = -8.13378366641123 +314000 ekin = 1.4359525561927 | erot = 1.6017711610384 | epot = -11.1715073838887 | etot = -8.13378366665756 +315000 ekin = 1.43500742743257 | erot = 1.59648896098093 | epot = -11.1652800551232 | etot = -8.13378366670972 +316000 ekin = 1.43108473248386 | erot = 1.59565804393172 | epot = -11.1605264431406 | etot = -8.13378366672501 +317000 ekin = 1.423903362868 | erot = 1.59957952105914 | epot = -11.157266550458 | etot = -8.13378366653083 +318000 ekin = 1.41631295381457 | erot = 1.6086681920702 | epot = -11.1587648120474 | etot = -8.13378366616265 +319000 ekin = 1.41381426235391 | erot = 1.62334142232249 | epot = -11.1709393504001 | etot = -8.13378366572373 +320000 ekin = 1.42315030254029 | erot = 1.6438411684038 | epot = -11.2007751363095 | etot = -8.13378366536539 +321000 ekin = 1.45024845495236 | erot = 1.67003325940321 | epot = -11.2540653795939 | etot = -8.13378366523836 +322000 ekin = 1.49815500537048 | erot = 1.70123818171696 | epot = -11.3331768525307 | etot = -8.13378366544326 +323000 ekin = 1.56569352501265 | erot = 1.73609284126964 | epot = -11.4355700323001 | etot = -8.13378366601784 +324000 ekin = 1.64679224019604 | erot = 1.77264010660481 | epot = -11.5532160137959 | etot = -8.13378366699503 +325000 ekin = 1.73163775628642 | erot = 1.80818795206065 | epot = -11.6736093763912 | etot = -8.13378366804413 +326000 ekin = 1.807503292055 | erot = 1.8398074929619 | epot = -11.7810944543653 | etot = -8.13378366934842 +327000 ekin = 1.85797659453463 | erot = 1.86537346542643 | epot = -11.8571337302883 | etot = -8.13378367032723 +328000 ekin = 1.87027520745668 | erot = 1.88392315073899 | epot = -11.8879820288559 | etot = -8.13378367066024 +329000 ekin = 1.83949589051625 | erot = 1.89597309719521 | epot = -11.869252657891 | etot = -8.13378367017951 +330000 ekin = 1.77117100866039 | erot = 1.90323589020173 | epot = -11.808190567859 | etot = -8.13378366899683 +331000 ekin = 1.68023517870726 | erot = 1.90771959426241 | epot = -11.7217384405155 | etot = -8.13378366754586 +332000 ekin = 1.58599656569204 | erot = 1.91066851347972 | epot = -11.6304487455228 | etot = -8.133783666351 +333000 ekin = 1.5056664988971 | erot = 1.91203797344599 | epot = -11.5514881380424 | etot = -8.13378366569929 +334000 ekin = 1.44997196057408 | erot = 1.91073772770832 | epot = -11.494493353844 | etot = -8.1337836655616 +335000 ekin = 1.4217505313958 | erot = 1.90515605629965 | epot = -11.4606902539303 | etot = -8.13378366623481 +336000 ekin = 1.41662531057508 | erot = 1.89330033652335 | epot = -11.4437093137243 | etot = -8.13378366662591 +337000 ekin = 1.42902342419243 | erot = 1.87459660542404 | epot = -11.4374036965643 | etot = -8.13378366694779 +338000 ekin = 1.45347553473645 | erot = 1.84924982279989 | epot = -11.4365090247095 | etot = -8.13378366717319 +339000 ekin = 1.48532648331894 | erot = 1.81789825389434 | epot = -11.4370084045478 | etot = -8.1337836673345 +340000 ekin = 1.52068113212175 | erot = 1.78131054290948 | epot = -11.4357753425064 | etot = -8.13378366747516 +341000 ekin = 1.55606070128483 | erot = 1.74019406298873 | epot = -11.4300384318889 | etot = -8.13378366761538 +342000 ekin = 1.58819693535917 | erot = 1.69515176483016 | epot = -11.4171323679306 | etot = -8.13378366774131 +343000 ekin = 1.61415529814034 | erot = 1.64675903934927 | epot = -11.3946980053052 | etot = -8.13378366781557 +344000 ekin = 1.63171879306421 | erot = 1.59569319793894 | epot = -11.3611956588051 | etot = -8.13378366780194 +345000 ekin = 1.63976605960559 | erot = 1.54282704208372 | epot = -11.3163767693851 | etot = -8.13378366769576 +346000 ekin = 1.63837200137359 | erot = 1.48918714015799 | epot = -11.2613428090531 | etot = -8.13378366752157 +347000 ekin = 1.62852754176565 | erot = 1.43587351563677 | epot = -11.1981847247341 | etot = -8.13378366733164 +348000 ekin = 1.61158889282985 | erot = 1.38392546939002 | epot = -11.1292980293931 | etot = -8.13378366717324 +349000 ekin = 1.58873557439206 | erot = 1.33422850518961 | epot = -11.056747746656 | etot = -8.13378366707429 +350000 ekin = 1.56064786721561 | erot = 1.2874985195824 | epot = -10.9819300538308 | etot = -8.13378366703275 +351000 ekin = 1.52754191191907 | erot = 1.24434620357763 | epot = -10.9056717825112 | etot = -8.13378366701453 +352000 ekin = 1.48960299204932 | erot = 1.20538641996432 | epot = -10.8287730789744 | etot = -8.13378366696075 +353000 ekin = 1.44778264504309 | erot = 1.17134399707567 | epot = -10.752910308907 | etot = -8.13378366678829 +354000 ekin = 1.40533100954915 | erot = 1.14324844921071 | epot = -10.6823631252463 | etot = -8.13378366648643 +355000 ekin = 1.36869095865109 | erot = 1.12250242067869 | epot = -10.6249770453852 | etot = -8.13378366605541 +356000 ekin = 1.3449017599716 | erot = 1.1099299077681 | epot = -10.5886153331872 | etot = -8.13378366544746 +357000 ekin = 1.34315796277545 | erot = 1.10621719878399 | epot = -10.5831588263865 | etot = -8.13378366482704 +358000 ekin = 1.37283801209317 | erot = 1.11171347586627 | epot = -10.6183351524161 | etot = -8.13378366445667 +359000 ekin = 1.43996759059677 | erot = 1.12612871056424 | epot = -10.6998799657489 | etot = -8.13378366458786 +360000 ekin = 1.54388445915395 | erot = 1.14830381563242 | epot = -10.825971940105 | etot = -8.13378366531859 +361000 ekin = 1.6758653151051 | erot = 1.1761890541841 | epot = -10.9858380358604 | etot = -8.13378366657118 +362000 ekin = 1.82005627456863 | erot = 1.20703160752722 | epot = -11.160871550052 | etot = -8.1337836679562 +363000 ekin = 1.95850583938559 | erot = 1.23798141777172 | epot = -11.3302709261716 | etot = -8.13378366901432 +364000 ekin = 2.07580017665441 | erot = 1.26672677094628 | epot = -11.4763106177231 | etot = -8.13378367012237 +365000 ekin = 2.15891662518022 | erot = 1.29173621495106 | epot = -11.5844365106023 | etot = -8.13378367047101 +366000 ekin = 2.20238380195836 | erot = 1.31262064914186 | epot = -11.6487881213328 | etot = -8.13378367023257 +367000 ekin = 2.20851727274821 | erot = 1.33022857587286 | epot = -11.6725295182319 | etot = -8.13378366961086 +368000 ekin = 2.18513118769551 | erot = 1.34632721319444 | epot = -11.6652420695885 | etot = -8.13378366869856 +369000 ekin = 2.14321144645259 | erot = 1.36315448462805 | epot = -11.6401495988847 | etot = -8.13378366780407 +370000 ekin = 2.09388282411743 | erot = 1.38296858719989 | epot = -11.6106350784946 | etot = -8.13378366717728 +371000 ekin = 2.04539161605049 | erot = 1.40758201279954 | epot = -11.5867572956745 | etot = -8.13378366682443 +372000 ekin = 2.00261126513199 | erot = 1.4382705751255 | epot = -11.574665506924 | etot = -8.13378366666651 +373000 ekin = 1.96798302471703 | erot = 1.47584503943857 | epot = -11.5776117307364 | etot = -8.13378366658081 +374000 ekin = 1.94276422014241 | erot = 1.52074221163772 | epot = -11.5972900983287 | etot = -8.13378366654861 +375000 ekin = 1.92741631544937 | erot = 1.57302624844148 | epot = -11.634226230509 | etot = -8.13378366661813 +376000 ekin = 1.92110841837139 | erot = 1.63232320681825 | epot = -11.6872152920392 | etot = -8.13378366684957 +377000 ekin = 1.92083197490845 | erot = 1.69770894534465 | epot = -11.7523245875562 | etot = -8.13378366730306 +378000 ekin = 1.92097158013852 | erot = 1.76763055655063 | epot = -11.8223858045628 | etot = -8.13378366787367 +379000 ekin = 1.91438056919013 | erot = 1.83964318713952 | epot = -11.8878074249811 | etot = -8.13378366865147 +380000 ekin = 1.89241520121845 | erot = 1.91106138177954 | epot = -11.9372602523564 | etot = -8.13378366935838 +381000 ekin = 1.8471184312366 | erot = 1.97933543815608 | epot = -11.9602375392593 | etot = -8.13378366986661 +382000 ekin = 1.77364821790758 | erot = 2.04210934441082 | epot = -11.9495412323761 | etot = -8.13378367005771 +383000 ekin = 1.67178472401187 | erot = 2.09754562137713 | epot = -11.903114015213 | etot = -8.13378366982399 +384000 ekin = 1.54709556482222 | erot = 2.14438708235182 | epot = -11.8252663163943 | etot = -8.13378366922026 +385000 ekin = 1.41093432867773 | erot = 2.18184182145731 | epot = -11.7265598182916 | etot = -8.13378366815656 +386000 ekin = 1.27958936993863 | erot = 2.21051340231469 | epot = -11.6238864391429 | etot = -8.13378366688957 +387000 ekin = 1.17137861197302 | erot = 2.2316316524003 | epot = -11.5367939301643 | etot = -8.13378366579099 +388000 ekin = 1.10179780401003 | erot = 2.24634754527649 | epot = -11.4819290145147 | etot = -8.13378366522816 +389000 ekin = 1.0788214896733 | erot = 2.25505587957397 | epot = -11.4676610376486 | etot = -8.13378366840134 +390000 ekin = 1.07051570136181 | erot = 2.26936424219768 | epot = -11.4736636037098 | etot = -8.13378366015027 +391000 ekin = 1.12513305990266 | erot = 2.2855798798667 | epot = -11.5444966077228 | etot = -8.13378366795344 +392000 ekin = 1.21295440171552 | erot = 2.27063670339911 | epot = -11.6173747716209 | etot = -8.13378366650625 +393000 ekin = 1.30924312365021 | erot = 2.24076930893297 | epot = -11.683796099712 | etot = -8.13378366712886 +394000 ekin = 1.40561895760633 | erot = 2.19794335034293 | epot = -11.7373459753404 | etot = -8.13378366739109 +395000 ekin = 1.49662707239774 | erot = 2.14293675801942 | epot = -11.7733474977531 | etot = -8.13378366733589 +396000 ekin = 1.58077727992374 | erot = 2.07761988891243 | epot = -11.7921808358865 | etot = -8.13378366705035 +397000 ekin = 1.65955042583017 | erot = 2.00469837191324 | epot = -11.7980324643728 | etot = -8.13378366662942 +398000 ekin = 1.7362244798993 | erot = 1.92743077253277 | epot = -11.7974389185788 | etot = -8.13378366614676 +399000 ekin = 1.81471876943507 | erot = 1.84941455049975 | epot = -11.7979169856551 | etot = -8.13378366572026 +400000 ekin = 1.89831345084354 | erot = 1.77428869309741 | epot = -11.8063858093523 | etot = -8.13378366541139 +401000 ekin = 1.9885788216584 | erot = 1.70555701948173 | epot = -11.8279195064184 | etot = -8.13378366527829 +402000 ekin = 2.08469272455109 | erot = 1.64640053761827 | epot = -11.8648769275031 | etot = -8.13378366533375 +403000 ekin = 2.1833349288347 | erot = 1.59947809828207 | epot = -11.9165966926882 | etot = -8.13378366557139 +404000 ekin = 2.27899469656911 | erot = 1.56671457667184 | epot = -11.9794929390997 | etot = -8.13378366585873 +405000 ekin = 2.36506409045595 | erot = 1.5490457214777 | epot = -12.0478934783833 | etot = -8.13378366644961 +406000 ekin = 2.43306193248333 | erot = 1.54630434412746 | epot = -12.1131499437695 | etot = -8.13378366715871 +407000 ekin = 2.4736418637867 | erot = 1.55689186413582 | epot = -12.1643173959421 | etot = -8.13378366801955 +408000 ekin = 2.47760299470359 | erot = 1.57810641384991 | epot = -12.1894930773177 | etot = -8.1337836687642 +409000 ekin = 2.43822850840222 | erot = 1.6066411347602 | epot = -12.1786533122416 | etot = -8.13378366907916 +410000 ekin = 2.35516301277751 | erot = 1.63934184028956 | epot = -12.128288521798 | etot = -8.13378366873093 +411000 ekin = 2.236619522747 | erot = 1.67408087731271 | epot = -12.0444840678061 | etot = -8.13378366774637 +412000 ekin = 2.09851267459564 | erot = 1.71012170018305 | epot = -11.9424180411994 | etot = -8.13378366642075 +413000 ekin = 1.96056484791868 | erot = 1.74778804011944 | epot = -11.8421365531932 | etot = -8.13378366515507 +414000 ekin = 1.84128090479855 | erot = 1.78771082123051 | epot = -11.7627753903003 | etot = -8.13378366427126 +415000 ekin = 1.75390442334931 | erot = 1.83009103155497 | epot = -11.7177791188312 | etot = -8.13378366392693 +416000 ekin = 1.70439570487049 | erot = 1.87425008286763 | epot = -11.7124294518662 | etot = -8.13378366412813 +417000 ekin = 1.69131554252525 | erot = 1.91850147884838 | epot = -11.743600686191 | etot = -8.13378366481735 +418000 ekin = 1.7068949003167 | erot = 1.96025799789886 | epot = -11.8009365639737 | etot = -8.1337836657581 +419000 ekin = 1.73962222230422 | erot = 1.99637255841746 | epot = -11.8697784475116 | etot = -8.13378366678987 +420000 ekin = 1.77669286262646 | erot = 2.02357619715879 | epot = -11.9340527274896 | etot = -8.1337836677043 +421000 ekin = 1.80657824083176 | erot = 2.03903049556404 | epot = -11.9793924047241 | etot = -8.13378366832826 +422000 ekin = 1.82111290086227 | erot = 2.04088419800067 | epot = -11.9957807674367 | etot = -8.13378366857376 +423000 ekin = 1.81648584569124 | erot = 2.02865244730067 | epot = -11.978921961452 | etot = -8.1337836684601 +424000 ekin = 1.79301691785737 | erot = 2.00326876348565 | epot = -11.9300693494177 | etot = -8.13378366807468 +425000 ekin = 1.75424046968995 | erot = 1.96680784721923 | epot = -11.854831984418 | etot = -8.13378366750887 +426000 ekin = 1.70601392330414 | erot = 1.92202692836578 | epot = -11.761824518498 | etot = -8.13378366682806 +427000 ekin = 1.65580906014457 | erot = 1.87186985440495 | epot = -11.6614625806883 | etot = -8.13378366613882 +428000 ekin = 1.61207963971218 | erot = 1.81905558541467 | epot = -11.5649188905637 | etot = -8.13378366543682 +429000 ekin = 1.58339999424807 | erot = 1.76579893170898 | epot = -11.4829825908685 | etot = -8.13378366491148 +430000 ekin = 1.57646033949475 | erot = 1.71346152698448 | epot = -11.4237055311813 | etot = -8.13378366470211 +431000 ekin = 1.59418488212815 | erot = 1.66239892771949 | epot = -11.3903674747378 | etot = -8.13378366489016 +432000 ekin = 1.63452809773604 | erot = 1.61205574803078 | epot = -11.3803675112004 | etot = -8.13378366543362 +433000 ekin = 1.6907741097856 | erot = 1.56136635609577 | epot = -11.3859241320225 | etot = -8.13378366614116 +434000 ekin = 1.75368500743944 | erot = 1.50939558465358 | epot = -11.3968642588286 | etot = -8.13378366673553 +435000 ekin = 1.81477188942094 | erot = 1.45598133798856 | epot = -11.4045368944125 | etot = -8.13378366700299 +436000 ekin = 1.868951512286 | erot = 1.40204530896986 | epot = -11.4047804880924 | etot = -8.1337836668365 +437000 ekin = 1.91551323813531 | erot = 1.34941425922493 | epot = -11.3987111639494 | etot = -8.13378366658913 +438000 ekin = 1.95545357705846 | erot = 1.30011080732735 | epot = -11.3893480508668 | etot = -8.13378366648095 +439000 ekin = 1.98811153075007 | erot = 1.25557284832967 | epot = -11.3774680457267 | etot = -8.133783666647 +440000 ekin = 2.0098662343534 | erot = 1.21630204160295 | epot = -11.3599519429522 | etot = -8.13378366699586 +441000 ekin = 2.01530350765085 | erot = 1.18202297032189 | epot = -11.3311101452617 | etot = -8.13378366728898 +442000 ekin = 1.99936349678345 | erot = 1.1520787313769 | epot = -11.2852258960153 | etot = -8.13378366785493 +443000 ekin = 1.95696749681153 | erot = 1.12547607063661 | epot = -11.2162272349774 | etot = -8.13378366752924 +444000 ekin = 1.89166490098686 | erot = 1.10194461447725 | epot = -11.1273931823252 | etot = -8.13378366686104 +445000 ekin = 1.81328868644697 | erot = 1.08168732032465 | epot = -11.0287596725663 | etot = -8.13378366579468 +446000 ekin = 1.73577899474806 | erot = 1.06505071492859 | epot = -10.9346133747235 | etot = -8.13378366504681 +447000 ekin = 1.67093185588937 | erot = 1.0523970512701 | epot = -10.8571125714719 | etot = -8.13378366431241 +448000 ekin = 1.62911856819559 | erot = 1.04409603312767 | epot = -10.8069982651711 | etot = -8.13378366384786 +449000 ekin = 1.61731626296897 | erot = 1.04041489697302 | epot = -10.7915148237039 | etot = -8.13378366376191 +450000 ekin = 1.63711697605421 | erot = 1.04135992229816 | epot = -10.8122605626979 | etot = -8.13378366434548 +451000 ekin = 1.68320258141919 | erot = 1.04620824656711 | epot = -10.8631944930203 | etot = -8.13378366503397 +452000 ekin = 1.7458166801167 | erot = 1.05391169410331 | epot = -10.9335120399999 | etot = -8.13378366577991 +453000 ekin = 1.81457146100864 | erot = 1.0633516586371 | epot = -11.0117067861248 | etot = -8.13378366647908 +454000 ekin = 1.87975957939219 | erot = 1.07317402238826 | epot = -11.0867172689166 | etot = -8.13378366713614 +455000 ekin = 1.93251877589105 | erot = 1.08171623325851 | epot = -11.14801867696 | etot = -8.13378366781044 +456000 ekin = 1.96415416828293 | erot = 1.08704156959223 | epot = -11.1849794063765 | etot = -8.13378366850134 +457000 ekin = 1.96605348078635 | erot = 1.08723394294624 | epot = -11.1870710928035 | etot = -8.13378366907089 +458000 ekin = 1.93127523762167 | erot = 1.08096076790852 | epot = -11.146019674794 | etot = -8.13378366926382 +459000 ekin = 1.85771594839783 | erot = 1.06809531781133 | epot = -11.0595949350342 | etot = -8.13378366882506 +460000 ekin = 1.7514718808334 | erot = 1.05009293158724 | epot = -10.9353484800663 | etot = -8.13378366764562 +461000 ekin = 1.62834142732817 | erot = 1.02990811326759 | epot = -10.792033206498 | etot = -8.13378366590223 +462000 ekin = 1.51195360646361 | erot = 1.01153881174671 | epot = -10.657276081187 | etot = -8.13378366297666 +463000 ekin = 1.43011910142227 | erot = 1.00022578453976 | epot = -10.5641285481373 | etot = -8.13378366217527 +464000 ekin = 1.39582910826184 | erot = 0.99819843207832 | epot = -10.5278112021912 | etot = -8.13378366185106 +465000 ekin = 1.41007554849414 | erot = 1.00592009003254 | epot = -10.5497793012305 | etot = -8.13378366270381 +466000 ekin = 1.46251969360502 | erot = 1.02219738030467 | epot = -10.618500737861 | etot = -8.13378366395135 +467000 ekin = 1.49627186606495 | erot = 1.05472101828711 | epot = -10.6847765486757 | etot = -8.13378366432368 +468000 ekin = 1.5172585367749 | erot = 1.12479885673277 | epot = -10.7758410580437 | etot = -8.13378366453599 +469000 ekin = 1.58140637752447 | erot = 1.16828828956652 | epot = -10.8834783315731 | etot = -8.13378366448215 +470000 ekin = 1.60068578294838 | erot = 1.1811414101898 | epot = -10.9156108574881 | etot = -8.13378366434993 +471000 ekin = 1.59076368321379 | erot = 1.18707237244891 | epot = -10.9116197193634 | etot = -8.13378366370067 +472000 ekin = 1.56124060593966 | erot = 1.18572143099144 | epot = -10.8807456997246 | etot = -8.13378366279351 +473000 ekin = 1.52502097405344 | erot = 1.17792025679204 | epot = -10.8367248926809 | etot = -8.13378366183544 +474000 ekin = 1.49533177220178 | erot = 1.16544446211716 | epot = -10.7945598952744 | etot = -8.13378366095546 +475000 ekin = 1.48386630171196 | erot = 1.15068540213872 | epot = -10.7683353640892 | etot = -8.13378366023852 +476000 ekin = 1.49971334629294 | erot = 1.13623821676371 | epot = -10.7697352228004 | etot = -8.13378365974378 +477000 ekin = 1.5487111876754 | erot = 1.12448433351201 | epot = -10.8069791812994 | etot = -8.13378366011195 +478000 ekin = 1.62953491120082 | erot = 1.11764268902012 | epot = -10.880961260461 | etot = -8.13378366024004 +479000 ekin = 1.73735741645227 | erot = 1.11700620809668 | epot = -10.9881472852153 | etot = -8.13378366066638 +480000 ekin = 1.86556210290876 | erot = 1.12262064773414 | epot = -11.1219664120758 | etot = -8.13378366143285 +481000 ekin = 2.0012102633565 | erot = 1.13364860019954 | epot = -11.2686425499223 | etot = -8.13378368636626 +482000 ekin = 2.04617329746653 | erot = 1.16256926174411 | epot = -11.342526223698 | etot = -8.13378366448739 +483000 ekin = 2.14335261841872 | erot = 1.21476273134234 | epot = -11.4918990326703 | etot = -8.1337836829092 +484000 ekin = 2.2027099535494 | erot = 1.23147381805091 | epot = -11.5679674446188 | etot = -8.13378367301852 +485000 ekin = 2.20682939439848 | erot = 1.23835798980262 | epot = -11.5789710574533 | etot = -8.13378367325215 +486000 ekin = 2.16589682793162 | erot = 1.24300370550065 | epot = -11.5426842062608 | etot = -8.13378367282853 +487000 ekin = 2.08668888863795 | erot = 1.24625551750431 | epot = -11.4667280779886 | etot = -8.13378367184635 +488000 ekin = 1.98386509123788 | erot = 1.24977318045064 | epot = -11.3674219422116 | etot = -8.13378367052306 +489000 ekin = 1.87707931029328 | erot = 1.2554701277229 | epot = -11.2663331071765 | etot = -8.13378366916032 +490000 ekin = 1.78677596315576 | erot = 1.26490338720787 | epot = -11.18546301849 | etot = -8.13378366812638 +491000 ekin = 1.72903831212643 | erot = 1.27867004037192 | epot = -11.1414920202968 | etot = -8.13378366779847 +492000 ekin = 1.71039979056492 | erot = 1.29591768106643 | epot = -11.1401011400508 | etot = -8.13378366841942 +493000 ekin = 1.72454317155186 | erot = 1.31423280426535 | epot = -11.1725596457207 | etot = -8.13378366990352 +494000 ekin = 1.75332785015175 | erot = 1.33022406246905 | epot = -11.2173355843429 | etot = -8.13378367172206 +495000 ekin = 1.77349565826268 | erot = 1.34086561473946 | epot = -11.2481449460395 | etot = -8.13378367303734 +496000 ekin = 1.76725059669556 | erot = 1.34512484287844 | epot = -11.2461591127246 | etot = -8.13378367315062 +497000 ekin = 1.73127637992372 | erot = 1.3449470821372 | epot = -11.2100071340228 | etot = -8.13378367196192 +498000 ekin = 1.67855000911927 | erot = 1.34489121266193 | epot = -11.1572248918172 | etot = -8.13378367003596 +499000 ekin = 1.63191747123612 | erot = 1.35056727534945 | epot = -11.1162684147987 | etot = -8.13378366821311 +500000 ekin = 1.61378359993279 | erot = 1.36676364682918 | epot = -11.1143309139126 | etot = -8.13378366715064 +501000 ekin = 1.63758101989971 | erot = 1.39609850677659 | epot = -11.1674631937776 | etot = -8.13378366710128 +502000 ekin = 1.7041380754091 | erot = 1.43847493669618 | epot = -11.2763966800725 | etot = -8.13378366796721 +503000 ekin = 1.8026829774481 | erot = 1.49115460253573 | epot = -11.4276212494754 | etot = -8.13378366949159 +504000 ekin = 1.91419549774104 | erot = 1.54914693963144 | epot = -11.5971261087994 | etot = -8.13378367142688 +505000 ekin = 2.01490443991482 | erot = 1.60576406503001 | epot = -11.754452178485 | etot = -8.13378367354016 +506000 ekin = 2.07966541463625 | erot = 1.6534543935245 | epot = -11.8669034835998 | etot = -8.13378367543904 +507000 ekin = 2.08700353889804 | erot = 1.68517460627827 | epot = -11.905961821654 | etot = -8.13378367647772 +508000 ekin = 2.02663352657019 | erot = 1.69625747622173 | epot = -11.85667467886 | etot = -8.1337836760681 +509000 ekin = 1.90589064129068 | erot = 1.68599529701607 | epot = -11.7256696124933 | etot = -8.13378367418656 +510000 ekin = 1.74959091228785 | erot = 1.65787688252651 | epot = -11.5412514662799 | etot = -8.1337836714656 +511000 ekin = 1.59231955656531 | erot = 1.61826266731375 | epot = -11.3443658926551 | etot = -8.13378366877608 +512000 ekin = 1.46755856058862 | erot = 1.57434662380559 | epot = -11.1756888512756 | etot = -8.13378366688141 +513000 ekin = 1.3983991609188 | erot = 1.53234768378053 | epot = -11.0645305108086 | etot = -8.13378366610923 +514000 ekin = 1.39338903684995 | erot = 1.49706258345062 | epot = -11.0242352864559 | etot = -8.13378366615529 +515000 ekin = 1.44495159059745 | erot = 1.47110271003594 | epot = -11.0498379681943 | etot = -8.13378366756095 +516000 ekin = 1.53288312818407 | erot = 1.45357064725072 | epot = -11.120237444821 | etot = -8.1337836693862 +517000 ekin = 1.63159033308467 | erot = 1.44224294473458 | epot = -11.2076169491972 | etot = -8.13378367137799 +518000 ekin = 1.71409401451017 | erot = 1.43408399436441 | epot = -11.2819616821124 | etot = -8.1337836732378 +519000 ekin = 1.75665192751476 | erot = 1.42579002917521 | epot = -11.3162256316872 | etot = -8.13378367499721 +520000 ekin = 1.74187345942302 | erot = 1.4150483977562 | epot = -11.290705532384 | etot = -8.13378367520473 +521000 ekin = 1.66871703035345 | erot = 1.40071550596687 | epot = -11.2032162100692 | etot = -8.13378367374886 +522000 ekin = 1.55952182851144 | erot = 1.38339983651153 | epot = -11.076705336162 | etot = -8.13378367113905 +523000 ekin = 1.45114556546891 | erot = 1.36568308066248 | epot = -10.9506123145881 | etot = -8.13378366845668 +524000 ekin = 1.38091842208311 | erot = 1.35134919392548 | epot = -10.8660512824539 | etot = -8.13378366644529 +525000 ekin = 1.37601425586908 | erot = 1.34456662957931 | epot = -10.8543645508583 | etot = -8.13378366540993 +526000 ekin = 1.44870428480397 | erot = 1.3490974018157 | epot = -10.9315853521301 | etot = -8.13378366551039 +527000 ekin = 1.59459863542106 | erot = 1.36714947554628 | epot = -11.0955317778806 | etot = -8.13378366691328 +528000 ekin = 1.79183405476432 | erot = 1.3984190459615 | epot = -11.3240367701436 | etot = -8.13378366941776 +529000 ekin = 2.00478978691934 | erot = 1.43972835790867 | epot = -11.5783018171981 | etot = -8.1337836723701 +530000 ekin = 2.19333795595321 | erot = 1.48552207661414 | epot = -11.8126437074557 | etot = -8.13378367488839 +531000 ekin = 2.32431476959198 | erot = 1.52928747159335 | epot = -11.9873859174739 | etot = -8.1337836762886 +532000 ekin = 2.37971447232121 | erot = 1.56539257222041 | epot = -12.0788907209954 | etot = -8.13378367645378 +533000 ekin = 2.35771666710421 | erot = 1.59048999444787 | epot = -12.0819903372149 | etot = -8.13378367566285 +534000 ekin = 2.26899715445284 | erot = 1.6040739436389 | epot = -12.0068547722234 | etot = -8.13378367413165 +535000 ekin = 2.13365177457976 | erot = 1.60831072467296 | epot = -11.8757461712746 | etot = -8.13378367202191 +536000 ekin = 1.9788637616776 | erot = 1.60719127872978 | epot = -11.7198387101354 | etot = -8.13378366972798 +537000 ekin = 1.8342188731736 | erot = 1.60523898307311 | epot = -11.5732415240101 | etot = -8.13378366776342 +538000 ekin = 1.72531720896728 | erot = 1.60632519295185 | epot = -11.4654260684293 | etot = -8.13378366651021 +539000 ekin = 1.66856519910959 | erot = 1.6130147293602 | epot = -11.4153635945921 | etot = -8.13378366612229 +540000 ekin = 1.66907056573982 | erot = 1.62662968770416 | epot = -11.4294839196051 | etot = -8.13378366616113 +541000 ekin = 1.72153495933529 | erot = 1.64788745991001 | epot = -11.5032060865927 | etot = -8.13378366734736 +542000 ekin = 1.80903650503412 | erot = 1.6754786968445 | epot = -11.6182988707897 | etot = -8.13378366891109 +543000 ekin = 1.90894616841981 | erot = 1.70734508951571 | epot = -11.7500749284691 | etot = -8.13378367053359 +544000 ekin = 1.9977784284566 | erot = 1.7412535778407 | epot = -11.8728156782151 | etot = -8.13378367191784 +545000 ekin = 2.05546409380151 | erot = 1.77521000039075 | epot = -11.9644577670256 | etot = -8.13378367283337 +546000 ekin = 2.06867595318427 | erot = 1.8077948361107 | epot = -12.0102544624496 | etot = -8.13378367315459 +547000 ekin = 2.03267806249103 | erot = 1.83838588999474 | epot = -12.0048476253515 | etot = -8.13378367286575 +548000 ekin = 1.95148731422974 | erot = 1.86718390883231 | epot = -11.9524548951631 | etot = -8.13378367210101 +549000 ekin = 1.83645042329695 | erot = 1.89487456519915 | epot = -11.8651086595307 | etot = -8.13378367103455 +550000 ekin = 1.70373130492655 | erot = 1.92233248819948 | epot = -11.7598474630006 | etot = -8.13378366987457 +551000 ekin = 1.57139422776027 | erot = 1.95024291866776 | epot = -11.6554208152369 | etot = -8.13378366880886 +552000 ekin = 1.45663332550624 | erot = 1.97878558861136 | epot = -11.5692025821088 | etot = -8.13378366799115 +553000 ekin = 1.37337409011331 | erot = 2.00744335363611 | epot = -11.5146011112929 | etot = -8.13378366754347 +554000 ekin = 1.33029485853917 | erot = 2.03496657143245 | epot = -11.4990450975128 | etot = -8.13378366754123 +555000 ekin = 1.32945359618133 | erot = 2.05953157374214 | epot = -11.5227688379176 | etot = -8.13378366799412 +556000 ekin = 1.3658906875148 | erot = 2.07909837607864 | epot = -11.5787727324011 | etot = -8.13378366880768 +557000 ekin = 1.42857577080555 | erot = 2.09193210845994 | epot = -11.654291549064 | etot = -8.13378366979846 +558000 ekin = 1.50275359963189 | erot = 2.0971531413961 | epot = -11.7336904117562 | etot = -8.13378367072818 +559000 ekin = 1.57321830908804 | erot = 2.09511862189364 | epot = -11.8021206023738 | etot = -8.13378367139213 +560000 ekin = 1.62740172366322 | erot = 2.08745496893435 | epot = -11.8486403643216 | etot = -8.13378367172406 +561000 ekin = 1.6569241619188 | erot = 2.07666092047753 | epot = -11.8673687542002 | etot = -8.1337836718039 +562000 ekin = 1.65737426360166 | erot = 2.06544534214746 | epot = -11.8566032774781 | etot = -8.13378367172896 +563000 ekin = 1.62727808432428 | erot = 2.05615555038321 | epot = -11.8172173064911 | etot = -8.13378367178356 +564000 ekin = 1.5667993306087 | erot = 2.05047511799702 | epot = -11.7510581199544 | etot = -8.1337836713487 +565000 ekin = 1.48206055333278 | erot = 2.04917576858652 | epot = -11.6650199925621 | etot = -8.13378367064282 +566000 ekin = 1.3842386654693 | erot = 2.05221850150277 | epot = -11.5702408367517 | etot = -8.13378366977965 +567000 ekin = 1.28749391779178 | erot = 2.05873429505346 | epot = -11.4800118818273 | etot = -8.13378366898202 +568000 ekin = 1.2057043109891 | erot = 2.0670569203391 | epot = -11.4065448997816 | etot = -8.1337836684534 +569000 ekin = 1.14918558015273 | erot = 2.07495244466074 | epot = -11.3579216930989 | etot = -8.1337836682854 +570000 ekin = 1.12276449635449 | erot = 2.0800727296242 | epot = -11.3366208944198 | etot = -8.13378366844112 +571000 ekin = 1.12567595859586 | erot = 2.08050218013897 | epot = -11.3399618075315 | etot = -8.13378366879663 +572000 ekin = 1.1529490339776 | erot = 2.07519259345466 | epot = -11.3619252966304 | etot = -8.13378366919819 +573000 ekin = 1.19838854906436 | erot = 2.06451015559051 | epot = -11.3966823738791 | etot = -8.13378366922423 +574000 ekin = 1.25460427378267 | erot = 2.04968889739192 | epot = -11.4380768406972 | etot = -8.13378366952262 +575000 ekin = 1.31454735686527 | erot = 2.03199549863397 | epot = -11.4803265250284 | etot = -8.13378366952915 +576000 ekin = 1.37512583604677 | erot = 2.01319845741894 | epot = -11.5221079627672 | etot = -8.13378366930153 +577000 ekin = 1.43682760498694 | erot = 1.99528982935438 | epot = -11.5659011033024 | etot = -8.13378366896105 +578000 ekin = 1.50235588199447 | erot = 1.98017269183556 | epot = -11.616312242452 | etot = -8.13378366862198 +579000 ekin = 1.57520818416169 | erot = 1.96938672248033 | epot = -11.6783785749975 | etot = -8.13378366835543 +580000 ekin = 1.65868462493906 | erot = 1.9639024985825 | epot = -11.7563707921581 | etot = -8.13378366863655 +581000 ekin = 1.7524731182851 | erot = 1.96419308535396 | epot = -11.8504498724997 | etot = -8.13378366886061 +582000 ekin = 1.85283782860401 | erot = 1.96967477642142 | epot = -11.9562962744009 | etot = -8.13378366937544 +583000 ekin = 1.95429754600633 | erot = 1.97826405495829 | epot = -12.0663452712864 | etot = -8.13378367032182 +584000 ekin = 2.04662916575505 | erot = 1.98631443704456 | epot = -12.1667272745676 | etot = -8.13378367176799 +585000 ekin = 2.11419694674586 | erot = 1.98862566441948 | epot = -12.2366062847012 | etot = -8.13378367353588 +586000 ekin = 2.13871236990616 | erot = 1.97915340580579 | epot = -12.2516494507903 | etot = -8.13378367507837 +587000 ekin = 2.10465783249031 | erot = 1.95256271521597 | epot = -12.1910042235944 | etot = -8.13378367588808 +588000 ekin = 2.00543191749281 | erot = 1.90599988275355 | epot = -12.0452154755214 | etot = -8.13378367527503 +589000 ekin = 1.8511544610365 | erot = 1.84021509333331 | epot = -11.825153227644 | etot = -8.13378367327421 +590000 ekin = 1.66921622807598 | erot = 1.75933351100741 | epot = -11.5623334094729 | etot = -8.13378367038948 +591000 ekin = 1.49774854838559 | erot = 1.66961531489179 | epot = -11.3011475307624 | etot = -8.13378366748502 +592000 ekin = 1.37418208601873 | erot = 1.57786762195817 | epot = -11.0858333734942 | etot = -8.13378366551733 +593000 ekin = 1.32230765436322 | erot = 1.49017042363896 | epot = -10.9462617430768 | etot = -8.13378366507467 +594000 ekin = 1.34433584584019 | erot = 1.41110289033496 | epot = -10.8892224022084 | etot = -8.13378366603329 +595000 ekin = 1.42313762143471 | erot = 1.34352894991733 | epot = -10.9004502389322 | etot = -8.13378366758016 +596000 ekin = 1.53140640358131 | erot = 1.2890571416043 | epot = -10.9542472149073 | etot = -8.13378366972164 +597000 ekin = 1.63793776664774 | erot = 1.24822708395987 | epot = -11.0199485217458 | etot = -8.13378367113819 +598000 ekin = 1.71853369495733 | erot = 1.22042305582434 | epot = -11.0727404229298 | etot = -8.13378367214814 +599000 ekin = 1.75676579669885 | erot = 1.20417119496498 | epot = -11.0947206643965 | etot = -8.13378367273266 +600000 ekin = 1.74415562348135 | erot = 1.1974850125625 | epot = -11.075424308856 | etot = -8.13378367281218 +601000 ekin = 1.68078686624576 | erot = 1.19842786466352 | epot = -11.0129984031935 | etot = -8.1337836722842 +602000 ekin = 1.57592768461686 | erot = 1.20571835982337 | epot = -10.9154297155778 | etot = -8.13378367113754 +603000 ekin = 1.44736021986067 | erot = 1.219065566651 | epot = -10.8002094560796 | etot = -8.13378366956792 +604000 ekin = 1.31829530122973 | erot = 1.239006327198 | epot = -10.6910852964092 | etot = -8.13378366798146 +605000 ekin = 1.21203583247681 | erot = 1.2662501819561 | epot = -10.6120696811917 | etot = -8.13378366675881 +606000 ekin = 1.14717881945288 | erot = 1.30114918573328 | epot = -10.5821116711666 | etot = -8.13378366598041 +607000 ekin = 1.13493137972343 | erot = 1.34344256501509 | epot = -10.6121576106477 | etot = -8.13378366590919 +608000 ekin = 1.17769398077533 | erot = 1.39211398656236 | epot = -10.7035916336402 | etot = -8.13378366630252 +609000 ekin = 1.27083042499585 | erot = 1.44572829443775 | epot = -10.8503423865119 | etot = -8.13378366707829 +610000 ekin = 1.40359308955129 | erot = 1.50241692809269 | epot = -11.0397936861517 | etot = -8.13378366850774 +611000 ekin = 1.55996607948005 | erot = 1.55982171141016 | epot = -11.2535714606557 | etot = -8.13378366976554 +612000 ekin = 1.72323074886143 | erot = 1.61567444069886 | epot = -11.4726888606515 | etot = -8.13378367109119 +613000 ekin = 1.87623356286683 | erot = 1.66732234626383 | epot = -11.6773395815193 | etot = -8.13378367238861 +614000 ekin = 2.00332542688185 | erot = 1.71185786773203 | epot = -11.8489669679314 | etot = -8.13378367331747 +615000 ekin = 2.09384471070049 | erot = 1.74706892488305 | epot = -11.9746973091783 | etot = -8.13378367359473 +616000 ekin = 2.14582652013453 | erot = 1.77208418553175 | epot = -12.051694378684 | etot = -8.13378367301775 +617000 ekin = 2.16764032553334 | erot = 1.78786476156788 | epot = -12.0892887588997 | etot = -8.1337836717985 +618000 ekin = 2.17543321837147 | erot = 1.79702594195609 | epot = -12.106242830678 | etot = -8.13378367035041 +619000 ekin = 2.18765015124708 | erot = 1.80309631576443 | epot = -12.124530136231 | etot = -8.13378366921951 +620000 ekin = 2.21827388574176 | erot = 1.80941579610145 | epot = -12.1614733506006 | etot = -8.13378366875735 +621000 ekin = 2.27256724282942 | erot = 1.81817906104524 | epot = -12.2245299729043 | etot = -8.13378366902961 +622000 ekin = 2.34686215364278 | erot = 1.82980019931868 | epot = -12.3104460228466 | etot = -8.13378366988515 +623000 ekin = 2.43079483956968 | erot = 1.84272954676688 | epot = -12.407308057431 | etot = -8.13378367109447 +624000 ekin = 2.5107485939494 | erot = 1.85365912852436 | epot = -12.4981913948138 | etot = -8.13378367234005 +625000 ekin = 2.57376014755793 | erot = 1.85839628627515 | epot = -12.5659401070222 | etot = -8.13378367318914 +626000 ekin = 2.61178608743946 | erot = 1.85335246048788 | epot = -12.5989222212562 | etot = -8.1337836733289 +627000 ekin = 2.62439666916913 | erot = 1.83675929859851 | epot = -12.5949396406052 | etot = -8.13378367283753 +628000 ekin = 2.61715143118485 | erot = 1.80883297815135 | epot = -12.5597680815541 | etot = -8.13378367221788 +629000 ekin = 2.5961400278194 | erot = 1.77076928023034 | epot = -12.5006929799836 | etot = -8.1337836719339 +630000 ekin = 2.56316564610313 | erot = 1.72368862274152 | epot = -12.4206379408855 | etot = -8.13378367204083 +631000 ekin = 2.51545670841564 | erot = 1.66841938706966 | epot = -12.3176597677318 | etot = -8.1337836722465 +632000 ekin = 2.44898106285635 | erot = 1.60594586088114 | epot = -12.1887105959866 | etot = -8.13378367224906 +633000 ekin = 2.36287257799253 | erot = 1.53782426740558 | epot = -12.0344805167525 | etot = -8.13378367135442 +634000 ekin = 2.26405242525323 | erot = 1.46623278033278 | epot = -11.8640688761674 | etot = -8.13378367058136 +635000 ekin = 2.16101755721062 | erot = 1.39475566090543 | epot = -11.689556887824 | etot = -8.13378366970794 +636000 ekin = 2.06475253331495 | erot = 1.32686506236116 | epot = -11.5254012642683 | etot = -8.13378366859223 +637000 ekin = 1.98973271035859 | erot = 1.26596624430372 | epot = -11.3894826221168 | etot = -8.13378366745444 +638000 ekin = 1.95146778320796 | erot = 1.21514985244285 | epot = -11.3004013022814 | etot = -8.1337836666306 +639000 ekin = 1.96182069134296 | erot = 1.17695161175767 | epot = -11.2725559692828 | etot = -8.13378366618221 +640000 ekin = 2.02679898931111 | erot = 1.152391839021 | epot = -11.3129744949044 | etot = -8.13378366657234 +641000 ekin = 2.14199910311537 | erot = 1.1407108655517 | epot = -11.4164936363111 | etot = -8.13378366764398 +642000 ekin = 2.29285046318449 | erot = 1.13915186809975 | epot = -11.5657860007392 | etot = -8.133783669455 +643000 ekin = 2.45552552113726 | erot = 1.14338828231893 | epot = -11.732697475068 | etot = -8.13378367161177 +644000 ekin = 2.60133752585675 | erot = 1.14835367489798 | epot = -11.8834748743413 | etot = -8.13378367358661 +645000 ekin = 2.70371430395706 | erot = 1.14938437136576 | epot = -11.9868823501984 | etot = -8.13378367487555 +646000 ekin = 2.7446360756213 | erot = 1.14332224210791 | epot = -12.0217419929408 | etot = -8.13378367521164 +647000 ekin = 2.71817787240185 | erot = 1.12915792948806 | epot = -11.9811194765204 | etot = -8.13378367463047 +648000 ekin = 2.63028246068798 | erot = 1.10798613628602 | epot = -11.8720522703656 | etot = -8.13378367339156 +649000 ekin = 2.49559189349663 | erot = 1.0824532824775 | epot = -11.7118288478354 | etot = -8.13378367186126 +650000 ekin = 2.33293161556148 | erot = 1.05592857138796 | epot = -11.5226438573172 | etot = -8.13378367036778 +651000 ekin = 2.16312160404172 | erot = 1.03179243272167 | epot = -11.3286977054102 | etot = -8.13378366864681 +652000 ekin = 2.00437764472204 | erot = 1.0126334647906 | epot = -11.150794777641 | etot = -8.13378366812837 +653000 ekin = 1.8632014818754 | erot = 0.999771298705831 | epot = -10.9967564485357 | etot = -8.13378366795446 +654000 ekin = 1.74159938814677 | erot = 0.993638993438291 | epot = -10.8690220496012 | etot = -8.13378366801616 +655000 ekin = 1.63877614369834 | erot = 0.99396111064847 | epot = -10.7665209225295 | etot = -8.13378366818269 +656000 ekin = 1.55293696395135 | erot = 0.99997775151372 | epot = -10.6866983837903 | etot = -8.13378366832522 +657000 ekin = 1.48301105567609 | erot = 1.01069155842698 | epot = -10.627486282448 | etot = -8.13378366834489 +658000 ekin = 1.42991653837067 | erot = 1.02511295996319 | epot = -10.5888131665295 | etot = -8.13378366819568 +659000 ekin = 1.39703562138715 | erot = 1.04246417558196 | epot = -10.5732834648756 | etot = -8.13378366790645 +660000 ekin = 1.38964145717507 | erot = 1.06228082952887 | epot = -10.5857059542688 | etot = -8.13378366756489 +661000 ekin = 1.41337783446074 | erot = 1.08434723262789 | epot = -10.6315087344838 | etot = -8.13378366739522 +662000 ekin = 1.47169034623175 | erot = 1.10850483088196 | epot = -10.7139788446653 | etot = -8.13378366755156 +663000 ekin = 1.56097330117258 | erot = 1.13389735848915 | epot = -10.8286543284501 | etot = -8.13378366878835 +664000 ekin = 1.66624490141573 | erot = 1.15850228671561 | epot = -10.9585308578551 | etot = -8.13378366972376 +665000 ekin = 1.77303863683344 | erot = 1.18152952436704 | epot = -11.0883518320138 | etot = -8.13378367081329 +666000 ekin = 1.86640057267678 | erot = 1.20258304577907 | epot = -11.2027672900442 | etot = -8.13378367158832 +667000 ekin = 1.9346641284443 | erot = 1.22193419209587 | epot = -11.290381992343 | etot = -8.13378367180279 +668000 ekin = 1.97306030160823 | erot = 1.24062017117798 | epot = -11.3474641442117 | etot = -8.13378367142545 +669000 ekin = 1.98443783015199 | erot = 1.26004202123897 | epot = -11.3782635220731 | etot = -8.13378367068217 +670000 ekin = 1.97652861960561 | erot = 1.28134194903652 | epot = -11.3916542388221 | etot = -8.13378367017995 +671000 ekin = 1.95649579507403 | erot = 1.30490078081445 | epot = -11.3951802456603 | etot = -8.1337836697718 +672000 ekin = 1.92875532524812 | erot = 1.33065660860772 | epot = -11.3931956034157 | etot = -8.13378366955981 +673000 ekin = 1.89553670234891 | erot = 1.35854540532999 | epot = -11.3878657771455 | etot = -8.13378366946663 +674000 ekin = 1.85764904371203 | erot = 1.38884570042997 | epot = -11.3802784134864 | etot = -8.13378366934444 +675000 ekin = 1.81704545016694 | erot = 1.42228413602671 | epot = -11.3731132554539 | etot = -8.1337836692603 +676000 ekin = 1.7750503130216 | erot = 1.45971003520997 | epot = -11.3685440173268 | etot = -8.1337836690952 +677000 ekin = 1.73347451738065 | erot = 1.50191216830985 | epot = -11.3691703546418 | etot = -8.13378366895131 +678000 ekin = 1.69449339358072 | erot = 1.54922606356397 | epot = -11.3775031260608 | etot = -8.13378366891607 +679000 ekin = 1.65969071095476 | erot = 1.60118456835957 | epot = -11.3946589483456 | etot = -8.13378366903128 +680000 ekin = 1.62957005386514 | erot = 1.65634116856091 | epot = -11.419694891712 | etot = -8.13378366928597 +681000 ekin = 1.60362252583862 | erot = 1.71228358650055 | epot = -11.4496897819657 | etot = -8.13378366962654 +682000 ekin = 1.58083074260915 | erot = 1.76582826436645 | epot = -11.4804426769555 | etot = -8.13378366997985 +683000 ekin = 1.56032431143573 | erot = 1.81338479145877 | epot = -11.5074927731734 | etot = -8.13378367027887 +684000 ekin = 1.54183455731289 | erot = 1.8514263216931 | epot = -11.527044549832 | etot = -8.13378367082606 +685000 ekin = 1.52410759953354 | erot = 1.87642082982803 | epot = -11.5343121004945 | etot = -8.13378367113297 +686000 ekin = 1.5049437943135 | erot = 1.88570070113279 | epot = -11.5244281668467 | etot = -8.13378367140037 +687000 ekin = 1.48208036602091 | erot = 1.87831367877112 | epot = -11.4941777163977 | etot = -8.13378367160572 +688000 ekin = 1.45289287170997 | erot = 1.85497856858115 | epot = -11.4416551119339 | etot = -8.13378367164282 +689000 ekin = 1.41601907826878 | erot = 1.8181143733986 | epot = -11.3679171230061 | etot = -8.13378367133873 +690000 ekin = 1.37394775601603 | erot = 1.77166312482271 | epot = -11.279394551396 | etot = -8.13378367055722 +691000 ekin = 1.33508615026709 | erot = 1.72071496345702 | epot = -11.1895847830556 | etot = -8.1337836693315 +692000 ekin = 1.31344376462008 | erot = 1.6709415973921 | epot = -11.118169029959 | etot = -8.13378366794681 +693000 ekin = 1.32488046352489 | erot = 1.62783697427223 | epot = -11.0865011046813 | etot = -8.13378366688415 +694000 ekin = 1.38078608515558 | erot = 1.59583179962592 | epot = -11.1104015514061 | etot = -8.13378366662458 +695000 ekin = 1.4819286119433 | erot = 1.57745304972118 | epot = -11.1931653290714 | etot = -8.13378366740697 +696000 ekin = 1.61569966782267 | erot = 1.57278041413535 | epot = -11.3222637510478 | etot = -8.13378366908982 +697000 ekin = 1.75843097225773 | erot = 1.5794352070708 | epot = -11.4716498505421 | etot = -8.13378367121361 +698000 ekin = 1.88185215243157 | erot = 1.59316882050077 | epot = -11.6088046461155 | etot = -8.13378367318316 +699000 ekin = 1.96106579222868 | erot = 1.60896306328376 | epot = -11.7038125299747 | etot = -8.13378367446226 +700000 ekin = 1.98131680928092 | erot = 1.62236339268018 | epot = -11.7374638766874 | etot = -8.13378367472627 +701000 ekin = 1.94164145678029 | erot = 1.63062825678504 | epot = -11.7060533875154 | etot = -8.13378367395007 +702000 ekin = 1.85450233236432 | erot = 1.63328569347074 | epot = -11.6215716982522 | etot = -8.13378367241717 +703000 ekin = 1.74181404901883 | erot = 1.63189519924278 | epot = -11.5074929187023 | etot = -8.13378367044066 +704000 ekin = 1.62890053392861 | erot = 1.62932624835339 | epot = -11.3920104511708 | etot = -8.13378366888879 +705000 ekin = 1.53704055722126 | erot = 1.62828297741702 | epot = -11.2991072023952 | etot = -8.13378366775691 +706000 ekin = 1.48137553847377 | erot = 1.63090498224899 | epot = -11.2460641878539 | etot = -8.13378366713111 +707000 ekin = 1.47012654282495 | erot = 1.63856880534838 | epot = -11.2424790151173 | etot = -8.13378366694392 +708000 ekin = 1.50545482955628 | erot = 1.65189802604224 | epot = -11.2911365226655 | etot = -8.13378366706695 +709000 ekin = 1.58434919610858 | erot = 1.67079586454412 | epot = -11.3889287283693 | etot = -8.13378366771659 +710000 ekin = 1.69830399757237 | erot = 1.69420639269681 | epot = -11.5262940587721 | etot = -8.13378366850288 +711000 ekin = 1.83638650813968 | erot = 1.72024670585802 | epot = -11.69041688351 | etot = -8.13378366951231 +712000 ekin = 1.98510691885688 | erot = 1.74609277600621 | epot = -11.8649833656744 | etot = -8.13378367081131 +713000 ekin = 2.12899307607566 | erot = 1.76804611036611 | epot = -12.0308228584888 | etot = -8.133783672047 +714000 ekin = 2.25375007867489 | erot = 1.78243264220262 | epot = -12.1699663936981 | etot = -8.13378367282057 +715000 ekin = 2.34975342428074 | erot = 1.78632122199589 | epot = -12.2698583195751 | etot = -8.13378367329848 +716000 ekin = 2.41256025247786 | erot = 1.77808812739576 | epot = -12.3244320530442 | etot = -8.1337836731706 +717000 ekin = 2.44474770533408 | erot = 1.75804788158726 | epot = -12.3365792594606 | etot = -8.13378367253928 +718000 ekin = 2.45412216699224 | erot = 1.72831089152396 | epot = -12.3162167305459 | etot = -8.13378367202974 +719000 ekin = 2.44845378808475 | erot = 1.69204638277942 | epot = -12.2742838420344 | etot = -8.13378367117019 +720000 ekin = 2.43656682436293 | erot = 1.65329012896632 | epot = -12.2236406238981 | etot = -8.13378367056883 +721000 ekin = 2.42365620527341 | erot = 1.61605001915984 | epot = -12.1734898948091 | etot = -8.13378367037585 +722000 ekin = 2.40904119961221 | erot = 1.58378410647612 | epot = -12.1266089766817 | etot = -8.13378367059338 +723000 ekin = 2.38647147018379 | erot = 1.5591543354285 | epot = -12.0794094766778 | etot = -8.13378367106556 +724000 ekin = 2.34659231028328 | erot = 1.54397640919557 | epot = -12.0243523910145 | etot = -8.13378367153561 +725000 ekin = 2.28077035605073 | erot = 1.53931973011769 | epot = -11.953873757908 | etot = -8.13378367173957 +726000 ekin = 2.18489434293367 | erot = 1.54571264597085 | epot = -11.8643906604075 | etot = -8.13378367150295 +727000 ekin = 2.06179491790743 | erot = 1.56339646487188 | epot = -11.7589750535815 | etot = -8.13378367080221 +728000 ekin = 1.92142302776613 | erot = 1.59252552382201 | epot = -11.6477322213728 | etot = -8.13378366978461 +729000 ekin = 1.7786316146568 | erot = 1.63318133793184 | epot = -11.54559662132 | etot = -8.13378366873134 +730000 ekin = 1.64935549787589 | erot = 1.68520345513118 | epot = -11.4683426209853 | etot = -8.13378366797823 +731000 ekin = 1.54617340796522 | erot = 1.74777370759381 | epot = -11.4277307833247 | etot = -8.13378366776571 +732000 ekin = 1.47444012320943 | erot = 1.8187602583582 | epot = -11.4269840497119 | etot = -8.13378366814423 +733000 ekin = 1.43189319810384 | erot = 1.8948402703279 | epot = -11.4605171374292 | etot = -8.13378366899749 +734000 ekin = 1.41017780820349 | erot = 1.97174677425865 | epot = -11.5157082525239 | etot = -8.1337836700618 +735000 ekin = 1.39820849328343 | erot = 2.04483940824941 | epot = -11.5768315725393 | etot = -8.1337836710065 +736000 ekin = 1.38628872351253 | erot = 2.1098536340491 | epot = -11.6299260291058 | etot = -8.13378367154417 +737000 ekin = 1.3696159670461 | erot = 2.16355925930541 | epot = -11.6669588978971 | etot = -8.13378367154559 +738000 ekin = 1.34981044658826 | erot = 2.20404797659553 | epot = -11.6876420942915 | etot = -8.13378367110774 +739000 ekin = 1.33372653216474 | erot = 2.23055395777236 | epot = -11.6980641604352 | etot = -8.13378367049808 +740000 ekin = 1.33016419311742 | erot = 2.24303198933016 | epot = -11.7069798524316 | etot = -8.13378366998406 +741000 ekin = 1.34641052660523 | erot = 2.2418933687602 | epot = -11.722087565038 | etot = -8.13378366967257 +742000 ekin = 1.38645577656229 | erot = 2.2280983694918 | epot = -11.748337815579 | etot = -8.13378366952496 +743000 ekin = 1.4510387919922 | erot = 2.20332817127167 | epot = -11.7881506327665 | etot = -8.13378366950266 +744000 ekin = 1.53803120220374 | erot = 2.16985299828934 | epot = -11.8416678701917 | etot = -8.13378366969864 +745000 ekin = 1.64150939165489 | erot = 2.12988595975108 | epot = -11.9051790216586 | etot = -8.13378367025267 +746000 ekin = 1.75074962766362 | erot = 2.08470317830682 | epot = -11.9692364772328 | etot = -8.13378367126234 +747000 ekin = 1.84985303113073 | erot = 2.0339872913426 | epot = -12.0176239951097 | etot = -8.13378367263638 +748000 ekin = 1.91944439125361 | erot = 1.97579729240617 | epot = -12.0290253577289 | etot = -8.13378367406914 +749000 ekin = 1.94080211587133 | erot = 1.90728805394724 | epot = -11.9818738449124 | etot = -8.1337836750938 +750000 ekin = 1.90175708673705 | erot = 1.82602227403895 | epot = -11.861563035914 | etot = -8.13378367513804 +751000 ekin = 1.80442251324645 | erot = 1.7321012366993 | epot = -11.670307424271 | etot = -8.13378367432528 +752000 ekin = 1.66438096321275 | erot = 1.62791173828973 | epot = -11.4260763737786 | etot = -8.13378367227611 +753000 ekin = 1.50959112385597 | erot = 1.51791168440983 | epot = -11.1612864778433 | etot = -8.13378366957754 +754000 ekin = 1.37530205546013 | erot = 1.40846180212372 | epot = -10.9175475248216 | etot = -8.13378366723778 +755000 ekin = 1.29223158165298 | erot = 1.30628357861316 | epot = -10.7322988261433 | etot = -8.13378366587714 +756000 ekin = 1.27251368855664 | erot = 1.21592403406034 | epot = -10.622221389072 | etot = -8.13378366645503 +757000 ekin = 1.3063477675277 | erot = 1.13861892044261 | epot = -10.5787503558979 | etot = -8.13378366792755 +758000 ekin = 1.37185376245963 | erot = 1.07351073773517 | epot = -10.5791481696797 | etot = -8.13378366948489 +759000 ekin = 1.44617278821708 | erot = 1.01897341845061 | epot = -10.5989298771412 | etot = -8.13378367047352 +760000 ekin = 1.51270256468479 | erot = 0.973207034238996 | epot = -10.6196932700383 | etot = -8.13378367111452 +761000 ekin = 1.56039612690742 | erot = 0.934439072347236 | epot = -10.6286188702826 | etot = -8.13378367102797 +762000 ekin = 1.58948756751959 | erot = 0.901622732001468 | epot = -10.6248939699753 | etot = -8.13378367045428 +763000 ekin = 1.60810008590181 | erot = 0.874391507913214 | epot = -10.6162752634854 | etot = -8.13378366967037 +764000 ekin = 1.62768531411594 | erot = 0.852689319830039 | epot = -10.6141583029053 | etot = -8.13378366895929 +765000 ekin = 1.65693698081253 | erot = 0.836745239181655 | epot = -10.6274658895677 | etot = -8.13378366957356 +766000 ekin = 1.70304081012829 | erot = 0.827639758152331 | epot = -10.6644642390248 | etot = -8.13378367074414 +767000 ekin = 1.76603010798667 | erot = 0.81974578700517 | epot = -10.7195595663148 | etot = -8.13378367132295 +768000 ekin = 1.83976621723509 | erot = 0.813915606837078 | epot = -10.7874654957709 | etot = -8.13378367169871 +769000 ekin = 1.91953928651817 | erot = 0.809315266677004 | epot = -10.8626382251893 | etot = -8.13378367199416 +770000 ekin = 2.00068337345698 | erot = 0.805269377276929 | epot = -10.9397364229584 | etot = -8.13378367222448 +771000 ekin = 2.07932607078706 | erot = 0.80147001562 | epot = -11.014579758772 | etot = -8.13378367236493 +772000 ekin = 2.15218258745307 | erot = 0.797728511921629 | epot = -11.083694771944 | etot = -8.13378367256931 +773000 ekin = 2.21516346354871 | erot = 0.793769932241683 | epot = -11.1427170687097 | etot = -8.1337836729193 +774000 ekin = 2.26234547281743 | erot = 0.789120208401059 | epot = -11.1852493546222 | etot = -8.13378367340368 +775000 ekin = 2.28747439980972 | erot = 0.782940858199211 | epot = -11.2041989315137 | etot = -8.13378367350475 +776000 ekin = 2.28487294038536 | erot = 0.774236455913865 | epot = -11.1928930693656 | etot = -8.13378367306634 +777000 ekin = 2.25459623244261 | erot = 0.763986238683991 | epot = -11.1523661446313 | etot = -8.13378367350472 +778000 ekin = 2.19483848041185 | erot = 0.752926118565648 | epot = -11.081548272629 | etot = -8.13378367365153 +779000 ekin = 2.10207554487761 | erot = 0.741428699427813 | epot = -10.9772879179982 | etot = -8.13378367369273 +780000 ekin = 1.97507844679113 | erot = 0.730439747748102 | epot = -10.8393018680354 | etot = -8.13378367349615 +781000 ekin = 1.81624238003515 | erot = 0.720681720809312 | epot = -10.6707077734064 | etot = -8.13378367256197 +782000 ekin = 1.63737680012838 | erot = 0.713965531438875 | epot = -10.4851260030337 | etot = -8.13378367146641 +783000 ekin = 1.45327094417962 | erot = 0.712334775603849 | epot = -10.2993893901241 | etot = -8.13378367034059 +784000 ekin = 1.27931304209992 | erot = 0.71779531661219 | epot = -10.1308920280318 | etot = -8.13378366931973 +785000 ekin = 1.12953341848653 | erot = 0.732133377099077 | epot = -9.99545046411213 | etot = -8.13378366852652 +786000 ekin = 1.01482431832703 | erot = 0.756760281246955 | epot = -9.90536826762429 | etot = -8.13378366805031 +787000 ekin = 0.941643964044434 | erot = 0.792599099828181 | epot = -9.86802673180068 | etot = -8.13378366792806 +788000 ekin = 0.91151079646793 | erot = 0.840020856578546 | epot = -9.88531532117945 | etot = -8.13378366813298 +789000 ekin = 0.921376349391728 | erot = 0.898827357320721 | epot = -9.95398737530709 | etot = -8.13378366859464 +790000 ekin = 0.9646544828658 | erot = 0.968273092100882 | epot = -10.0667112441871 | etot = -8.13378366922042 +791000 ekin = 1.03261133414691 | erot = 1.04710148110145 | epot = -10.2134964851676 | etot = -8.13378366991922 +792000 ekin = 1.11580285041638 | erot = 1.13356945356443 | epot = -10.3831559745819 | etot = -8.1337836706011 +793000 ekin = 1.20528065119976 | erot = 1.22546277764171 | epot = -10.564527100092 | etot = -8.13378367125054 +794000 ekin = 1.29310700781807 | erot = 1.32020213136593 | epot = -10.7470928110086 | etot = -8.13378367182458 +795000 ekin = 1.3723846739092 | erot = 1.41513363954107 | epot = -10.9213019889899 | etot = -8.13378367553964 +796000 ekin = 1.40835913128026 | erot = 1.52971390249054 | epot = -11.0718567044156 | etot = -8.13378367064481 +797000 ekin = 1.45167190327184 | erot = 1.62512604238246 | epot = -11.2105816180017 | etot = -8.13378367234739 +798000 ekin = 1.48145722834957 | erot = 1.70064689495111 | epot = -11.3158877957753 | etot = -8.13378367247457 +799000 ekin = 1.49559633330505 | erot = 1.76394329937706 | epot = -11.3933233051004 | etot = -8.13378367241832 +800000 ekin = 1.49744893759607 | erot = 1.81327291254695 | epot = -11.4445055223102 | etot = -8.1337836721672 +801000 ekin = 1.49251279283597 | erot = 1.84780559270302 | epot = -11.4741020572375 | etot = -8.13378367169853 +802000 ekin = 1.48820480026236 | erot = 1.86779013860696 | epot = -11.4897786099793 | etot = -8.13378367110997 +803000 ekin = 1.49253566034238 | erot = 1.87451451163578 | epot = -11.5008338425624 | etot = -8.13378367058421 +804000 ekin = 1.51166035417666 | erot = 1.86997050308506 | epot = -11.5154145275931 | etot = -8.13378367033143 +805000 ekin = 1.54725262755389 | erot = 1.85635941628183 | epot = -11.5373957143256 | etot = -8.13378367048987 +806000 ekin = 1.59533620613465 | erot = 1.83572111149178 | epot = -11.5648409882672 | etot = -8.13378367064076 +807000 ekin = 1.64925672138757 | erot = 1.81037056523643 | epot = -11.5934109580015 | etot = -8.13378367137749 +808000 ekin = 1.69787116881872 | erot = 1.78132459583089 | epot = -11.6129794367426 | etot = -8.13378367209299 +809000 ekin = 1.73004744199967 | erot = 1.74897468672994 | epot = -11.6128058013083 | etot = -8.1337836725787 +810000 ekin = 1.73831051770698 | erot = 1.71353607854315 | epot = -11.5856302700131 | etot = -8.13378367376295 +811000 ekin = 1.7162354887398 | erot = 1.67428462338951 | epot = -11.5243037856423 | etot = -8.133783673513 +812000 ekin = 1.66416936436974 | erot = 1.63115164433668 | epot = -11.4291046815542 | etot = -8.13378367284779 +813000 ekin = 1.59176171300662 | erot = 1.58513406243102 | epot = -11.3106794472763 | etot = -8.13378367183862 +814000 ekin = 1.51369575693279 | erot = 1.53752063411452 | epot = -11.1850000616746 | etot = -8.13378367062732 +815000 ekin = 1.44735421386905 | erot = 1.48989097524506 | epot = -11.071028858542 | etot = -8.13378366942792 +816000 ekin = 1.40949972408348 | erot = 1.44406671640762 | epot = -10.9873501089771 | etot = -8.13378366848597 +817000 ekin = 1.41268037634604 | erot = 1.40200084691418 | epot = -10.9484648912749 | etot = -8.13378366801463 +818000 ekin = 1.46212175596086 | erot = 1.36558649852231 | epot = -10.9614919226108 | etot = -8.1337836681276 +819000 ekin = 1.55434977604764 | erot = 1.33645466066158 | epot = -11.0245881054313 | etot = -8.13378366872208 +820000 ekin = 1.67879137058879 | erot = 1.31590146910598 | epot = -11.1284765092722 | etot = -8.1337836695774 +821000 ekin = 1.82107935909666 | erot = 1.30489182417681 | epot = -11.259754853713 | etot = -8.13378367043957 +822000 ekin = 1.9529446717066 | erot = 1.31620698806857 | epot = -11.4029353293376 | etot = -8.13378366956246 +823000 ekin = 2.07449183435307 | erot = 1.3446643767535 | epot = -11.5529398818435 | etot = -8.13378367073694 +824000 ekin = 2.19907919231085 | erot = 1.36469015519565 | epot = -11.6975530184859 | etot = -8.13378367097939 +825000 ekin = 2.30563380852721 | erot = 1.39476757249072 | epot = -11.8341850522209 | etot = -8.13378367120299 +826000 ekin = 2.39103701046294 | erot = 1.43354131731499 | epot = -11.9583619995925 | etot = -8.13378367181457 +827000 ekin = 2.44908730536611 | erot = 1.47824974984668 | epot = -12.061120727616 | etot = -8.13378367240325 +828000 ekin = 2.4740049529018 | erot = 1.52536858756854 | epot = -12.1331572135331 | etot = -8.13378367306277 +829000 ekin = 2.46026919624821 | erot = 1.57083289943084 | epot = -12.1648857692761 | etot = -8.13378367359711 +830000 ekin = 2.40417117647821 | erot = 1.61070673269887 | epot = -12.1486615829649 | etot = -8.13378367378778 +831000 ekin = 2.3062679748487 | erot = 1.64206892676616 | epot = -12.0821205750573 | etot = -8.13378367344244 +832000 ekin = 2.17314973564168 | erot = 1.66378895251181 | epot = -11.9707223607483 | etot = -8.13378367259479 +833000 ekin = 2.0166788310753 | erot = 1.67684011521384 | epot = -11.8273026176896 | etot = -8.13378367140051 +834000 ekin = 1.85232718548849 | erot = 1.68370832836246 | epot = -11.6698191839383 | etot = -8.13378367008734 +835000 ekin = 1.696162825951 | erot = 1.68768571717172 | epot = -11.5176322122076 | etot = -8.13378366908484 +836000 ekin = 1.56059049397783 | erot = 1.69176135975103 | epot = -11.3861355311657 | etot = -8.13378367743684 +837000 ekin = 1.46494691483958 | erot = 1.67922598600668 | epot = -11.2779565659497 | etot = -8.13378366510345 +838000 ekin = 1.41623376497621 | erot = 1.68359587922025 | epot = -11.2336133184481 | etot = -8.13378367425162 +839000 ekin = 1.38164226048355 | erot = 1.69827238732617 | epot = -11.2136983224206 | etot = -8.13378367461086 +840000 ekin = 1.37281419759143 | erot = 1.71791872251442 | epot = -11.2245165952046 | etot = -8.13378367509872 +841000 ekin = 1.38251849257029 | erot = 1.74222357851784 | epot = -11.2585257466759 | etot = -8.13378367558775 +842000 ekin = 1.40440816037656 | erot = 1.77053653211612 | epot = -11.3087283685373 | etot = -8.13378367604459 +843000 ekin = 1.43288890065947 | erot = 1.80208713667178 | epot = -11.3687597138102 | etot = -8.13378367647898 +844000 ekin = 1.46337506006249 | erot = 1.83581425282211 | epot = -11.4329729898064 | etot = -8.13378367692178 +845000 ekin = 1.49225139202149 | erot = 1.87011931212423 | epot = -11.4961543815405 | etot = -8.13378367739482 +846000 ekin = 1.51675477732079 | erot = 1.90271354992434 | epot = -11.5532520051143 | etot = -8.1337836778692 +847000 ekin = 1.53514567840233 | erot = 1.93076451235142 | epot = -11.5996938689732 | etot = -8.1337836782195 +848000 ekin = 1.54758817369235 | erot = 1.95149729814727 | epot = -11.6328691500911 | etot = -8.1337836782515 +849000 ekin = 1.55740275464435 | erot = 1.96313933262388 | epot = -11.6543257651229 | etot = -8.13378367785465 +850000 ekin = 1.57132389478935 | erot = 1.96572299040244 | epot = -11.6708305623722 | etot = -8.13378367718037 +851000 ekin = 1.59707563407619 | erot = 1.96110149806653 | epot = -11.6919608087796 | etot = -8.13378367663691 +852000 ekin = 1.63865350681412 | erot = 1.95197424490086 | epot = -11.7244114283858 | etot = -8.13378367667083 +853000 ekin = 1.69191652620986 | erot = 1.94037118659739 | epot = -11.7660713902747 | etot = -8.13378367746741 +854000 ekin = 1.74370783938037 | erot = 1.92645693729426 | epot = -11.8039484553812 | etot = -8.13378367870661 +855000 ekin = 1.77620146768418 | erot = 1.90847431922648 | epot = -11.8184594668595 | etot = -8.13378367994886 +856000 ekin = 1.77433273067642 | erot = 1.88315817895787 | epot = -11.7912745901343 | etot = -8.13378368050002 +857000 ekin = 1.73346273112572 | erot = 1.84735528625896 | epot = -11.7146016973811 | etot = -8.13378367999646 +858000 ekin = 1.66317903363266 | erot = 1.7994664359098 | epot = -11.5964291480754 | etot = -8.1337836785329 +859000 ekin = 1.58513293587896 | erot = 1.74007953778942 | epot = -11.4589961502843 | etot = -8.13378367661596 +860000 ekin = 1.52581941899221 | erot = 1.67168470683099 | epot = -11.3312878007233 | etot = -8.13378367490011 +861000 ekin = 1.50775028862609 | erot = 1.59782760852934 | epot = -11.2393615710195 | etot = -8.13378367386411 +862000 ekin = 1.54306866516068 | erot = 1.52225954350351 | epot = -11.1991118823091 | etot = -8.13378367364494 +863000 ekin = 1.63171594825787 | erot = 1.44845127666277 | epot = -11.213950899006 | etot = -8.13378367408539 +864000 ekin = 1.76367870922739 | erot = 1.37946093989893 | epot = -11.2769233240372 | etot = -8.13378367491086 +865000 ekin = 1.92306453203341 | erot = 1.31796433684458 | epot = -11.3748125447456 | etot = -8.13378367586766 +866000 ekin = 2.09215456621248 | erot = 1.26628925949238 | epot = -11.4922275022635 | etot = -8.13378367655859 +867000 ekin = 2.25558706900038 | erot = 1.22649711081648 | epot = -11.6158678571089 | etot = -8.13378367729208 +868000 ekin = 2.40057443855628 | erot = 1.20017706470873 | epot = -11.7345351810599 | etot = -8.13378367779485 +869000 ekin = 2.51819395481234 | erot = 1.18842551852403 | epot = -11.8404031514077 | etot = -8.1337836780713 +870000 ekin = 2.60380767867222 | erot = 1.19178595581356 | epot = -11.9293773127034 | etot = -8.13378367821764 +871000 ekin = 2.65597330736975 | erot = 1.21008900039281 | epot = -11.9998459860857 | etot = -8.13378367832316 +872000 ekin = 2.67413391935025 | erot = 1.24223617324268 | epot = -12.0501537713228 | etot = -8.13378367872988 +873000 ekin = 2.6552381342363 | erot = 1.28590823623526 | epot = -12.074930049832 | etot = -8.13378367936043 +874000 ekin = 2.59426343771486 | erot = 1.33769628052759 | epot = -12.0657433982658 | etot = -8.13378368002336 +875000 ekin = 2.48661884983932 | erot = 1.39359938638622 | epot = -12.0140019165834 | etot = -8.13378368035786 +876000 ekin = 2.33257163351496 | erot = 1.44985984400568 | epot = -11.9162151575154 | etot = -8.13378367999475 +877000 ekin = 2.14151731604679 | erot = 1.50380376702378 | epot = -11.7791047618951 | etot = -8.13378367882451 +878000 ekin = 1.932832003629 | erot = 1.55419737626239 | epot = -11.6208130570763 | etot = -8.13378367718492 +879000 ekin = 1.73117573621979 | erot = 1.60084517426536 | epot = -11.4658045862297 | etot = -8.13378367574457 +880000 ekin = 1.55787151334954 | erot = 1.64373016529537 | epot = -11.3353853536958 | etot = -8.13378367505087 +881000 ekin = 1.42384142186798 | erot = 1.68244604597635 | epot = -11.2400711429721 | etot = -8.1337836751278 +882000 ekin = 1.32893688552342 | erot = 1.71640874220465 | epot = -11.1791293032808 | etot = -8.13378367555272 +883000 ekin = 1.26714280188822 | erot = 1.74554142973579 | epot = -11.1464679073511 | etot = -8.13378367572706 +884000 ekin = 1.23268823939063 | erot = 1.77071758338062 | epot = -11.1371894987175 | etot = -8.13378367594624 +885000 ekin = 1.22008849592431 | erot = 1.793121667761 | epot = -11.1469938397908 | etot = -8.13378367610554 +886000 ekin = 1.22532479940098 | erot = 1.81382115988278 | epot = -11.1729296355223 | etot = -8.13378367623854 +887000 ekin = 1.24494548145927 | erot = 1.83336039585811 | epot = -11.21208955378 | etot = -8.13378367646266 +888000 ekin = 1.27500212940806 | erot = 1.85168867062894 | epot = -11.2604744767863 | etot = -8.13378367674929 +889000 ekin = 1.31152735306242 | erot = 1.86844690092859 | epot = -11.3137579310936 | etot = -8.13378367710254 +890000 ekin = 1.3498631765703 | erot = 1.88304641021545 | epot = -11.3666932643095 | etot = -8.13378367752371 +891000 ekin = 1.38390530587808 | erot = 1.89468392872775 | epot = -11.4123729126909 | etot = -8.13378367808506 +892000 ekin = 1.40569396149735 | erot = 1.9022674860451 | epot = -11.4417451265517 | etot = -8.13378367900926 +893000 ekin = 1.40448289128716 | erot = 1.90432470721805 | epot = -11.4425912782068 | etot = -8.13378367970162 +894000 ekin = 1.37144289541472 | erot = 1.89954368983534 | epot = -11.4047702652371 | etot = -8.13378367998709 +895000 ekin = 1.30348486055177 | erot = 1.88750422908343 | epot = -11.3247727658088 | etot = -8.13378367617357 +896000 ekin = 1.22187337143717 | erot = 1.87071061589499 | epot = -11.2263676628434 | etot = -8.13378367551128 +897000 ekin = 1.14754845934872 | erot = 1.85263803756603 | epot = -11.1339701714171 | etot = -8.13378367450233 +898000 ekin = 1.08944016800739 | erot = 1.83653761246719 | epot = -11.0597614543947 | etot = -8.13378367392007 +899000 ekin = 1.05403951309466 | erot = 1.82413022548821 | epot = -11.0119534121708 | etot = -8.13378367358794 +900000 ekin = 1.04500203485724 | erot = 1.81619426241825 | epot = -10.994979970873 | etot = -8.13378367359756 +901000 ekin = 1.06222207054372 | erot = 1.8123440301414 | epot = -11.0083497746079 | etot = -8.13378367392275 +902000 ekin = 1.10209714029207 | erot = 1.81111462834152 | epot = -11.0469954430829 | etot = -8.13378367444936 +903000 ekin = 1.15876030972024 | erot = 1.81037876509514 | epot = -11.1029227498417 | etot = -8.13378367502628 +904000 ekin = 1.22532881895693 | erot = 1.80797942269356 | epot = -11.1670919176146 | etot = -8.13378367596416 +905000 ekin = 1.29206809096424 | erot = 1.80250391168621 | epot = -11.2283556791119 | etot = -8.13378367646147 +906000 ekin = 1.35183435772567 | erot = 1.79300035909436 | epot = -11.2786183935736 | etot = -8.13378367675354 +907000 ekin = 1.39979991721213 | erot = 1.77946415986595 | epot = -11.3130477540359 | etot = -8.13378367695782 +908000 ekin = 1.43268044609659 | erot = 1.76253539590784 | epot = -11.3289995190119 | etot = -8.13378367700745 +909000 ekin = 1.44897967082509 | erot = 1.74341748083575 | epot = -11.3261808285436 | etot = -8.13378367688281 +910000 ekin = 1.44937912071043 | erot = 1.72390580468978 | epot = -11.307068601954 | etot = -8.13378367655379 +911000 ekin = 1.43727653438468 | erot = 1.70617572444023 | epot = -11.2772359348716 | etot = -8.13378367604669 +912000 ekin = 1.41843447946169 | erot = 1.69263823279422 | epot = -11.2448563876992 | etot = -8.13378367544329 +913000 ekin = 1.40006193727622 | erot = 1.68549441014308 | epot = -11.219340022283 | etot = -8.13378367486371 +914000 ekin = 1.38958825652739 | erot = 1.68634774669615 | epot = -11.2097196776933 | etot = -8.13378367446975 +915000 ekin = 1.39244840974392 | erot = 1.69595180429013 | epot = -11.2221838884456 | etot = -8.13378367441153 +916000 ekin = 1.41015013786076 | erot = 1.71401831934436 | epot = -11.2579521319716 | etot = -8.13378367476645 +917000 ekin = 1.4392962874655 | erot = 1.73916763957947 | epot = -11.3122476025345 | etot = -8.13378367548949 +918000 ekin = 1.47227942008796 | erot = 1.76903078778361 | epot = -11.3750938842682 | etot = -8.13378367639659 +919000 ekin = 1.49986621134982 | erot = 1.80052098765843 | epot = -11.4341708761906 | etot = -8.13378367718234 +920000 ekin = 1.51501276726728 | erot = 1.83027923157205 | epot = -11.479075676427 | etot = -8.13378367758768 +921000 ekin = 1.50567012576534 | erot = 1.85806252988137 | epot = -11.4975163324903 | etot = -8.13378367684357 +922000 ekin = 1.50530570323642 | erot = 1.88405749106785 | epot = -11.5231468709211 | etot = -8.13378367661687 +923000 ekin = 1.51005072433124 | erot = 1.89398296690106 | epot = -11.5378173670833 | etot = -8.13378367585097 +924000 ekin = 1.52928061407801 | erot = 1.89561779618601 | epot = -11.5586820856961 | etot = -8.13378367543205 +925000 ekin = 1.56873673478303 | erot = 1.88910082537247 | epot = -11.5916212358692 | etot = -8.13378367571368 +926000 ekin = 1.623719119736 | erot = 1.87429650615988 | epot = -11.6317993025749 | etot = -8.13378367667902 +927000 ekin = 1.67952368823402 | erot = 1.85068760729924 | epot = -11.6639949734866 | etot = -8.13378367795335 +928000 ekin = 1.71651232215492 | erot = 1.81783745617795 | epot = -11.6681334573616 | etot = -8.13378367902875 +929000 ekin = 1.71702543500849 | erot = 1.7761409547827 | epot = -11.6269500692948 | etot = -8.13378367950356 +930000 ekin = 1.67099558011226 | erot = 1.72742888865563 | epot = -11.5322081479668 | etot = -8.13378367919888 +931000 ekin = 1.57874462940356 | erot = 1.67513457878369 | epot = -11.3876628863509 | etot = -8.13378367816365 +932000 ekin = 1.45079208833672 | erot = 1.62392798294326 | epot = -11.208503747902 | etot = -8.13378367662198 +933000 ekin = 1.30531756655107 | erot = 1.57894108978416 | epot = -11.0180423312269 | etot = -8.1337836748917 +934000 ekin = 1.16422089209607 | erot = 1.54485802085233 | epot = -10.8428625862405 | etot = -8.1337836732921 +935000 ekin = 1.04864498106518 | erot = 1.52509208502931 | epot = -10.7075207382517 | etot = -8.13378367215725 +936000 ekin = 0.97470928197414 | erot = 1.52116327413384 | epot = -10.6296562277879 | etot = -8.13378367167996 +937000 ekin = 0.950462284702358 | erot = 1.53244919059087 | epot = -10.616695147248 | etot = -8.13378367195482 +938000 ekin = 0.974421294583295 | erot = 1.55616006625871 | epot = -10.6643650337801 | etot = -8.13378367293808 +939000 ekin = 1.03606886759094 | erot = 1.58755449221726 | epot = -10.7574070342586 | etot = -8.13378367445039 +940000 ekin = 1.11826840897929 | erot = 1.62042988761827 | epot = -10.8724819727897 | etot = -8.13378367619211 +941000 ekin = 1.20122028436166 | erot = 1.64794231894323 | epot = -10.9829462810871 | etot = -8.13378367778225 +942000 ekin = 1.26717763526718 | erot = 1.66371923758655 | epot = -11.0646805517328 | etot = -8.13378367887906 +943000 ekin = 1.30509212265462 | erot = 1.66314531188336 | epot = -11.1020211136571 | etot = -8.13378367911911 +944000 ekin = 1.3139237763007 | erot = 1.64449670932369 | epot = -11.0922041641376 | etot = -8.13378367851323 +945000 ekin = 1.30237464142681 | erot = 1.60929976332954 | epot = -11.0454580821011 | etot = -8.13378367734473 +946000 ekin = 1.28506402176001 | erot = 1.56181037072794 | epot = -10.9806580685974 | etot = -8.13378367610942 +947000 ekin = 1.27634122926031 | erot = 1.50774431809126 | epot = -10.9178692226282 | etot = -8.13378367527659 +948000 ekin = 1.28467886086298 | erot = 1.45281197104727 | epot = -10.8712745069726 | etot = -8.13378367506231 +949000 ekin = 1.31037739798746 | erot = 1.40157240487559 | epot = -10.8457334782341 | etot = -8.1337836753711 +950000 ekin = 1.34722619716906 | erot = 1.3568868979842 | epot = -10.8378967710771 | etot = -8.13378367592388 +951000 ekin = 1.38650860498497 | erot = 1.31991933557737 | epot = -10.8402116169905 | etot = -8.13378367642818 +952000 ekin = 1.421447087831 | erot = 1.29081153979046 | epot = -10.84604230425 | etot = -8.13378367662858 +953000 ekin = 1.44882630163939 | erot = 1.26905801707694 | epot = -10.8516679954638 | etot = -8.13378367674752 +954000 ekin = 1.46839021225272 | erot = 1.25288009756807 | epot = -10.8550539863921 | etot = -8.13378367657131 +955000 ekin = 1.48389177420735 | erot = 1.24071489729452 | epot = -10.8583903477773 | etot = -8.13378367627542 +956000 ekin = 1.50041047255739 | erot = 1.23152280194284 | epot = -10.865716950577 | etot = -8.13378367607677 +957000 ekin = 1.52124212096693 | erot = 1.22481048447594 | epot = -10.8798362815372 | etot = -8.13378367609429 +958000 ekin = 1.54632227618744 | erot = 1.22051886332113 | epot = -10.9006248157658 | etot = -8.13378367625721 +959000 ekin = 1.57324294423871 | erot = 1.21891910555264 | epot = -10.9259457261608 | etot = -8.1337836763695 +960000 ekin = 1.59969206086875 | erot = 1.22060656116838 | epot = -10.9540822984235 | etot = -8.1337836763864 +961000 ekin = 1.62253440888993 | erot = 1.22677323459116 | epot = -10.9830913197429 | etot = -8.13378367626177 +962000 ekin = 1.64127229281945 | erot = 1.23851881095622 | epot = -11.0135747798977 | etot = -8.133783676122 +963000 ekin = 1.65616190916698 | erot = 1.25678969037885 | epot = -11.0467352756897 | etot = -8.13378367614384 +964000 ekin = 1.66566514666451 | erot = 1.28218253876047 | epot = -11.0816313616704 | etot = -8.13378367624546 +965000 ekin = 1.66770285606757 | erot = 1.31455464601019 | epot = -11.1160411786495 | etot = -8.13378367657176 +966000 ekin = 1.6581069535733 | erot = 1.35314679870501 | epot = -11.145037429086 | etot = -8.13378367680773 +967000 ekin = 1.6340191426093 | erot = 1.39653020323183 | epot = -11.164333022772 | etot = -8.13378367693091 +968000 ekin = 1.59493851000743 | erot = 1.44254096624089 | epot = -11.171263153312 | etot = -8.13378367706365 +969000 ekin = 1.54116624535086 | erot = 1.4883056650783 | epot = -11.1632555877659 | etot = -8.13378367733677 +970000 ekin = 1.47195251630965 | erot = 1.53048570942868 | epot = -11.1362219034456 | etot = -8.13378367770727 +971000 ekin = 1.38571363570397 | erot = 1.56593199014109 | epot = -11.0854293034529 | etot = -8.13378367760786 +972000 ekin = 1.2844612509872 | erot = 1.59277024067381 | epot = -11.0110151691096 | etot = -8.13378367744862 +973000 ekin = 1.17320809752836 | erot = 1.61049478406713 | epot = -10.9174865582804 | etot = -8.13378367668489 +974000 ekin = 1.06313422542289 | erot = 1.62023440485558 | epot = -10.8171523056985 | etot = -8.13378367542 +975000 ekin = 0.97098763557619 | erot = 1.62445057720854 | epot = -10.7292218868794 | etot = -8.13378367409465 +976000 ekin = 0.91351783966156 | erot = 1.62592320586085 | epot = -10.6732247188146 | etot = -8.13378367329216 +977000 ekin = 0.900210301809895 | erot = 1.62660680269658 | epot = -10.6606007778788 | etot = -8.13378367337233 +978000 ekin = 0.928774961855102 | erot = 1.62702792387329 | epot = -10.6895865599753 | etot = -8.13378367424692 +979000 ekin = 0.986309691310116 | erot = 1.62661905645026 | epot = -10.7467124231103 | etot = -8.13378367534995 +980000 ekin = 1.0560418464208 | erot = 1.62477777160401 | epot = -10.8146032941482 | etot = -8.13378367612342 +981000 ekin = 1.12469745191456 | erot = 1.62193499389755 | epot = -10.8804161220952 | etot = -8.1337836762831 +982000 ekin = 1.18655422424979 | erot = 1.61989865006664 | epot = -10.9402365502154 | etot = -8.133783675899 +983000 ekin = 1.24323393226582 | erot = 1.6213893247498 | epot = -10.998406932262 | etot = -8.13378367524638 +984000 ekin = 1.3007289224841 | erot = 1.62917854395174 | epot = -11.0636911410593 | etot = -8.13378367462348 +985000 ekin = 1.3657579887055 | erot = 1.64530549445309 | epot = -11.1448471574172 | etot = -8.13378367425859 +986000 ekin = 1.44269014534723 | erot = 1.67060135266118 | epot = -11.2470751723069 | etot = -8.13378367429852 +987000 ekin = 1.53139017840676 | erot = 1.70450616378661 | epot = -11.3696800170058 | etot = -8.13378367481245 +988000 ekin = 1.62542517207335 | erot = 1.74490463007085 | epot = -11.504113477996 | etot = -8.13378367585183 +989000 ekin = 1.70973314631196 | erot = 1.78758054110428 | epot = -11.6310973645961 | etot = -8.13378367717991 +990000 ekin = 1.76834990883591 | erot = 1.82854801274317 | epot = -11.7306815999595 | etot = -8.13378367838041 +991000 ekin = 1.78717585350667 | erot = 1.86445265992369 | epot = -11.7854121925014 | etot = -8.133783679071 +992000 ekin = 1.75808069003026 | erot = 1.89344947584339 | epot = -11.7853138449038 | etot = -8.13378367903015 +993000 ekin = 1.68149922498393 | erot = 1.91587779315319 | epot = -11.7311606964116 | etot = -8.13378367827449 +994000 ekin = 1.56634005209159 | erot = 1.93428820863977 | epot = -11.6344119377119 | etot = -8.13378367698052 +995000 ekin = 1.4280735459805 | erot = 1.95281321443276 | epot = -11.5146704358241 | etot = -8.13378367541087 +996000 ekin = 1.28578073803757 | erot = 1.97614374563733 | epot = -11.395708157556 | etot = -8.13378367388114 +997000 ekin = 1.15849049936959 | erot = 2.00849321026896 | epot = -11.3007673823119 | etot = -8.13378367267339 +998000 ekin = 1.06172554149893 | erot = 2.05288173761918 | epot = -11.2483909510631 | etot = -8.133783671945 +999000 ekin = 1.00534863216522 | erot = 2.11083351117271 | epot = -11.2499658150715 | etot = -8.13378367173359 +1000000 ekin = 0.992888346872309 | erot = 2.18232106768115 | epot = -11.3089930865736 | etot = -8.1337836720201 + 1000000 0.073547285 -1.1520387 0.021139403 -1.0316105 -4.7686303e-05 64000 +Loop time of 13.756 on 4 procs for 1000000 steps with 10 atoms + +Performance: 62808.788 tau/day, 72695.357 timesteps/s +99.6% CPU use with 4 MPI tasks x no OpenMP threads + +MPI task timing breakdown: +Section | min time | avg time | max time |%varavg| %total +--------------------------------------------------------------- +Pair | 2.0908 | 4.5747 | 7.698 | 93.9 | 33.26 +Bond | 0.21019 | 0.2687 | 0.32615 | 9.6 | 1.95 +Neigh | 0.005636 | 0.0056895 | 0.005729 | 0.0 | 0.04 +Comm | 3.3072 | 6.7911 | 9.3078 | 83.5 | 49.37 +Output | 0.073535 | 0.076852 | 0.083027 | 1.3 | 0.56 +Modify | 0.57149 | 0.61083 | 0.65106 | 4.8 | 4.44 +Other | | 1.428 | | | 10.38 + +Nlocal: 2.50000 ave 3 max 2 min +Histogram: 2 0 0 0 0 0 0 0 0 2 +Nghost: 7.50000 ave 8 max 7 min +Histogram: 2 0 0 0 0 0 0 0 0 2 +Neighs: 9.25000 ave 16 max 1 min +Histogram: 1 0 0 1 0 0 0 0 1 1 + +Total # of neighbors = 37 +Ave neighs/atom = 3.7000000 +Ave special neighs/atom = 3.6000000 +Neighbor list builds = 1000 +Dangerous builds = 0 + +write_data last_config.${number}.* nocoeff +write_data last_config.3.* nocoeff +System init for write_data ... +#write_restart last_config.${number}.* +Total wall time: 0:00:13 diff --git a/examples/PACKAGES/cgdna/examples/oxDNA2/unique_bp/in.duplex4.4type b/examples/PACKAGES/cgdna/examples/oxDNA2/unique_bp/in.duplex4.4type index ebbd00c0e2..8be01b1b3e 100644 --- a/examples/PACKAGES/cgdna/examples/oxDNA2/unique_bp/in.duplex4.4type +++ b/examples/PACKAGES/cgdna/examples/oxDNA2/unique_bp/in.duplex4.4type @@ -11,7 +11,7 @@ units lj dimension 3 -newton off +newton on boundary p p p @@ -84,3 +84,4 @@ dump_modify out format line "%d %d %d %22.15le %22.15le %22.15le %d %d %d %22 run 1000000 write_data last_config.${number}.* nocoeff +#write_restart last_config.${number}.* diff --git a/examples/PACKAGES/cgdna/examples/oxDNA2/unique_bp/in.duplex4.8type b/examples/PACKAGES/cgdna/examples/oxDNA2/unique_bp/in.duplex4.8type index 9945dc5366..3223080aef 100644 --- a/examples/PACKAGES/cgdna/examples/oxDNA2/unique_bp/in.duplex4.8type +++ b/examples/PACKAGES/cgdna/examples/oxDNA2/unique_bp/in.duplex4.8type @@ -11,7 +11,7 @@ units lj dimension 3 -newton off +newton on boundary p p p @@ -84,3 +84,4 @@ dump_modify out format line "%d %d %d %22.15le %22.15le %22.15le %d %d %d %22 run 1000000 write_data last_config.${number}.* nocoeff +#write_restart last_config.${number}.* diff --git a/examples/PACKAGES/cgdna/examples/oxDNA2/unique_bp/log.27May21.duplex4.4type.g++1 b/examples/PACKAGES/cgdna/examples/oxDNA2/unique_bp/log.27May21.duplex4.4type.g++1 deleted file mode 100644 index 080db1e84f..0000000000 --- a/examples/PACKAGES/cgdna/examples/oxDNA2/unique_bp/log.27May21.duplex4.4type.g++1 +++ /dev/null @@ -1,1229 +0,0 @@ -LAMMPS (27 May 2021) -variable number equal 4 -variable ofreq equal 1000 -variable efreq equal 1000 - -variable ntype equal 4 - -variable T equal 0.1 -variable rhos equal 0.2 - -units lj - -dimension 3 - -newton off - -boundary p p p - -atom_style hybrid bond ellipsoid oxdna -WARNING: Atom style hybrid defines both, per-type and per-atom masses; both must be set, but only per-atom masses will be used (../atom_vec_hybrid.cpp:157) -atom_modify sort 0 1.0 - -# Pair interactions require lists of neighbours to be calculated -neighbor 2.0 bin -neigh_modify every 10 delay 0 check yes - -read_data data.duplex4.4type -Reading data file ... - orthogonal box = (-20.000000 -20.000000 -20.000000) to (20.000000 20.000000 20.000000) - 1 by 1 by 1 MPI processor grid - reading atoms ... - 26 atoms - reading velocities ... - 26 velocities - scanning bonds ... - 2 = max bonds/atom - 26 ellipsoids - reading bonds ... - 24 bonds -Finding 1-2 1-3 1-4 neighbors ... - special bond factors lj: 0 0 0 - special bond factors coul: 0 0 0 - 2 = max # of 1-2 neighbors - 2 = max # of 1-3 neighbors - 4 = max # of 1-4 neighbors - 6 = max # of special neighbors - special bonds CPU = 0.000 seconds - read_data CPU = 0.003 seconds - -mass * 3.1575 # sets per-type mass if not in data file -set atom * mass 3.1575 # sets per-atom mass -Setting atom values ... - 26 settings made for mass - -group all type 1 4 -26 atoms in group all - -# oxDNA2 bond interactions - FENE backbone -bond_style oxdna2/fene -bond_coeff * 2.0 0.25 0.7564 -special_bonds lj 0 1 1 -Finding 1-2 1-3 1-4 neighbors ... - special bond factors lj: 0 1 1 - special bond factors coul: 0 0 0 - 2 = max # of 1-2 neighbors - 2 = max # of 1-3 neighbors - 4 = max # of 1-4 neighbors - 6 = max # of special neighbors - special bonds CPU = 0.000 seconds - -# oxDNA pair interactions -pair_style hybrid/overlay oxdna2/excv oxdna2/stk oxdna2/hbond oxdna2/xstk oxdna2/coaxstk oxdna2/dh -pair_coeff * * oxdna2/excv 2.0 0.7 0.675 2.0 0.515 0.5 2.0 0.33 0.32 -pair_coeff * * oxdna2/stk seqdep ${T} 1.3523 2.6717 6.0 0.4 0.9 0.32 0.75 1.3 0 0.8 0.9 0 0.95 0.9 0 0.95 2.0 0.65 2.0 0.65 -pair_coeff * * oxdna2/stk seqdep 0.1 1.3523 2.6717 6.0 0.4 0.9 0.32 0.75 1.3 0 0.8 0.9 0 0.95 0.9 0 0.95 2.0 0.65 2.0 0.65 -pair_coeff * * oxdna2/hbond seqdep 0.0 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 - -label loop -variable base loop ${ntype} -variable base loop 4 - variable basemod equal ${base}%4 - variable basemod equal 1%4 - if "${basemod} == 1" then "variable comp equal ${base}+3" "pair_coeff ${base} ${comp} oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45" -variable comp equal ${base}+3 -variable comp equal 1+3 -pair_coeff ${base} ${comp} oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 -pair_coeff 1 ${comp} oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 -pair_coeff 1 4 oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 - if "${basemod} == 2" then "variable comp equal ${base}+1" "pair_coeff ${base} ${comp} oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45" -next base -jump in.duplex4.4type loop -variable base loop ${ntype} -variable base loop 4 - variable basemod equal ${base}%4 - variable basemod equal 2%4 - if "${basemod} == 1" then "variable comp equal ${base}+3" "pair_coeff ${base} ${comp} oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45" - if "${basemod} == 2" then "variable comp equal ${base}+1" "pair_coeff ${base} ${comp} oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45" -variable comp equal ${base}+1 -variable comp equal 2+1 -pair_coeff ${base} ${comp} oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 -pair_coeff 2 ${comp} oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 -pair_coeff 2 3 oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 -next base -jump in.duplex4.4type loop -variable base loop ${ntype} -variable base loop 4 - variable basemod equal ${base}%4 - variable basemod equal 3%4 - if "${basemod} == 1" then "variable comp equal ${base}+3" "pair_coeff ${base} ${comp} oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45" - if "${basemod} == 2" then "variable comp equal ${base}+1" "pair_coeff ${base} ${comp} oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45" -next base -jump in.duplex4.4type loop -variable base loop ${ntype} -variable base loop 4 - variable basemod equal ${base}%4 - variable basemod equal 4%4 - if "${basemod} == 1" then "variable comp equal ${base}+3" "pair_coeff ${base} ${comp} oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45" - if "${basemod} == 2" then "variable comp equal ${base}+1" "pair_coeff ${base} ${comp} oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45" -next base -jump in.duplex4.4type loop - -pair_coeff * * oxdna2/xstk 47.5 0.575 0.675 0.495 0.655 2.25 0.791592653589793 0.58 1.7 1.0 0.68 1.7 1.0 0.68 1.5 0 0.65 1.7 0.875 0.68 1.7 0.875 0.68 -pair_coeff * * oxdna2/coaxstk 58.5 0.4 0.6 0.22 0.58 2.0 2.891592653589793 0.65 1.3 0 0.8 0.9 0 0.95 0.9 0 0.95 40.0 3.116592653589793 -pair_coeff * * oxdna2/dh ${T} ${rhos} 0.815 -pair_coeff * * oxdna2/dh 0.1 ${rhos} 0.815 -pair_coeff * * oxdna2/dh 0.1 0.2 0.815 - -# Langevin dynamics -fix 1 all nve/asphere -fix 2 all langevin ${T} ${T} 2.5 457145 angmom 10 -fix 2 all langevin 0.1 ${T} 2.5 457145 angmom 10 -fix 2 all langevin 0.1 0.1 2.5 457145 angmom 10 - -timestep 1e-5 - -#comm_style tiled -fix 3 all balance 1000 1.03 shift xyz 10 1.03 -comm_modify cutoff 3.8 - -compute quat all property/atom quatw quati quatj quatk - -compute erot all erotate/asphere -compute ekin all ke -compute epot all pe -variable erot equal c_erot -variable ekin equal c_ekin -variable epot equal c_epot -variable etot equal c_erot+c_ekin+c_epot -fix 5 all print ${efreq} "$(step) ekin = ${ekin} | erot = ${erot} | epot = ${epot} | etot = ${etot}" screen yes -fix 5 all print 1000 "$(step) ekin = ${ekin} | erot = ${erot} | epot = ${epot} | etot = ${etot}" screen yes - -dump out all custom ${ofreq} out.${number}.lammpstrj id mol type x y z ix iy iz vx vy vz c_quat[1] c_quat[2] c_quat[3] c_quat[4] angmomx angmomy angmomz -dump out all custom 1000 out.${number}.lammpstrj id mol type x y z ix iy iz vx vy vz c_quat[1] c_quat[2] c_quat[3] c_quat[4] angmomx angmomy angmomz -dump out all custom 1000 out.4.lammpstrj id mol type x y z ix iy iz vx vy vz c_quat[1] c_quat[2] c_quat[3] c_quat[4] angmomx angmomy angmomz -dump_modify out sort id -dump_modify out format line "%d %d %d %22.15le %22.15le %22.15le %d %d %d %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le" - -run 1000000 -Neighbor list info ... - update every 10 steps, delay 0 steps, check yes - max neighbors/atom: 2000, page size: 100000 - master list distance cutoff = 5.6389877 - ghost atom cutoff = 5.6389877 - binsize = 2.8194939, bins = 15 15 15 - 5 neighbor lists, perpetual/occasional/extra = 5 0 0 - (1) pair oxdna2/excv, perpetual - attributes: half, newton off - pair build: half/bin/newtoff - stencil: full/bin/3d - bin: standard - (2) pair oxdna2/hbond, perpetual, copy from (1) - attributes: half, newton off - pair build: copy - stencil: none - bin: none - (3) pair oxdna2/xstk, perpetual, copy from (1) - attributes: half, newton off - pair build: copy - stencil: none - bin: none - (4) pair oxdna2/coaxstk, perpetual, copy from (1) - attributes: half, newton off - pair build: copy - stencil: none - bin: none - (5) pair oxdna2/dh, perpetual, copy from (1) - attributes: half, newton off - pair build: copy - stencil: none - bin: none -WARNING: Communication cutoff adjusted to 5.638987723814632 (../comm.cpp:739) -0 ekin = 3.74991604702378 | erot = 3.45272678980464 | epot = -37.374200901142 | etot = -30.1715580643136 -Per MPI rank memory allocation (min/avg/max) = 9.578 | 9.578 | 9.578 Mbytes -Step Temp E_pair E_mol TotEng Press Volume - 0 0.099997761 -1.4717559 0.03428661 -1.2932417 5.6146609e-05 64000 -1000 ekin = 3.83184879800819 | erot = 3.50203401022061 | epot = -37.4730508915114 | etot = -30.1391680832826 -2000 ekin = 3.82227374831519 | erot = 3.79878100905234 | epot = -37.616191007464 | etot = -29.9951362500965 -3000 ekin = 3.90938932030971 | erot = 4.1584025695072 | epot = -37.7430329723255 | etot = -29.6752410825086 -4000 ekin = 3.82373321902577 | erot = 4.12183047279799 | epot = -37.8313543569025 | etot = -29.8857906650788 -5000 ekin = 3.7245469506492 | erot = 4.29953523687407 | epot = -37.8617217220935 | etot = -29.8376395345702 -6000 ekin = 3.75585156536887 | erot = 4.31270713695362 | epot = -37.8280629310505 | etot = -29.759504228728 -7000 ekin = 3.79326740841051 | erot = 4.16508360466874 | epot = -37.7640947397914 | etot = -29.8057437267121 -8000 ekin = 3.74746489835263 | erot = 4.25243425677965 | epot = -37.6835135449588 | etot = -29.6836143898265 -9000 ekin = 3.70802697723782 | erot = 4.00193184819408 | epot = -37.589938820096 | etot = -29.8799799946641 -10000 ekin = 3.5813559764108 | erot = 3.86411518632768 | epot = -37.5041732418664 | etot = -30.0587020791279 -11000 ekin = 3.45122934445656 | erot = 4.17035352993105 | epot = -37.485988256137 | etot = -29.8644053817494 -12000 ekin = 3.42435863038455 | erot = 4.2148747253892 | epot = -37.5307136425246 | etot = -29.8914802867509 -13000 ekin = 3.40216979362994 | erot = 4.07292918248778 | epot = -37.6378499557145 | etot = -30.1627509795968 -14000 ekin = 3.29213315521691 | erot = 4.50441987673247 | epot = -37.7761364031321 | etot = -29.9795833711827 -15000 ekin = 3.36883179726037 | erot = 4.91359031415189 | epot = -37.9357367952089 | etot = -29.6533146837967 -16000 ekin = 3.30177911852249 | erot = 5.0959341599744 | epot = -38.143737189117 | etot = -29.7460239106201 -17000 ekin = 3.27867865291038 | erot = 5.45789581601547 | epot = -38.3785999463332 | etot = -29.6420254774074 -18000 ekin = 3.36770908750654 | erot = 5.63036493519876 | epot = -38.5970397067551 | etot = -29.5989656840498 -19000 ekin = 3.29802639540141 | erot = 5.45616396083943 | epot = -38.7810833463914 | etot = -30.0268929901506 -20000 ekin = 3.28760849058064 | erot = 5.26031945979087 | epot = -38.9429500949467 | etot = -30.3950221445752 -21000 ekin = 3.32772748450134 | erot = 5.34990394778083 | epot = -39.0618181252057 | etot = -30.3841866929235 -22000 ekin = 3.34298346296243 | erot = 5.12273250375892 | epot = -39.1360899153794 | etot = -30.670373948658 -23000 ekin = 3.38280280428754 | erot = 5.14933572496704 | epot = -39.1974651493047 | etot = -30.6653266200501 -24000 ekin = 3.43991273776908 | erot = 5.03737353653106 | epot = -39.2427818934623 | etot = -30.7654956191621 -25000 ekin = 3.44382800915661 | erot = 4.56194227438371 | epot = -39.2491545805195 | etot = -31.2433842969791 -26000 ekin = 3.47220361933917 | erot = 4.88028216050144 | epot = -39.2033487475128 | etot = -30.8508629676722 -27000 ekin = 3.47824341108208 | erot = 4.79713670041817 | epot = -39.1340731989048 | etot = -30.8586930874045 -28000 ekin = 3.54835351423495 | erot = 4.6549460773945 | epot = -39.0768463918722 | etot = -30.8735468002427 -29000 ekin = 3.57491058588771 | erot = 4.31737192689198 | epot = -39.0420895500443 | etot = -31.1498070372646 -30000 ekin = 3.51438036654854 | erot = 4.50861299911588 | epot = -39.0276136699747 | etot = -31.0046203043103 -31000 ekin = 3.57650331888537 | erot = 4.40811531091205 | epot = -39.0168289246977 | etot = -31.0322102949003 -32000 ekin = 3.70658082522062 | erot = 4.15949186201365 | epot = -39.017410963825 | etot = -31.1513382765907 -33000 ekin = 3.83721022661993 | erot = 4.05055961618764 | epot = -39.0303039022728 | etot = -31.1425340594653 -34000 ekin = 3.9488588066567 | erot = 3.81495459058985 | epot = -39.0180833389346 | etot = -31.2542699416881 -35000 ekin = 3.97994525138311 | erot = 4.49904715736237 | epot = -38.9543629321031 | etot = -30.4753705233576 -36000 ekin = 3.90049506438254 | erot = 3.99723351860171 | epot = -38.8736492127443 | etot = -30.97592062976 -37000 ekin = 4.00119032736875 | erot = 4.30070706410094 | epot = -38.7576942972652 | etot = -30.4557969057955 -38000 ekin = 4.00581796835635 | erot = 3.82064458204037 | epot = -38.6053485149963 | etot = -30.7788859645996 -39000 ekin = 3.92374370666481 | erot = 3.80679256085699 | epot = -38.4357174066365 | etot = -30.7051811391147 -40000 ekin = 3.81525591020234 | erot = 3.60218215391064 | epot = -38.2889289083717 | etot = -30.8714908442588 -41000 ekin = 3.89801377589288 | erot = 3.52447171643245 | epot = -38.2033074629499 | etot = -30.7808219706246 -42000 ekin = 3.92469802136758 | erot = 3.7220708309091 | epot = -38.1843497161944 | etot = -30.5375808639177 -43000 ekin = 3.9035581905627 | erot = 3.65375269274892 | epot = -38.2197716832792 | etot = -30.6624607999676 -44000 ekin = 3.94906849382527 | erot = 3.48405507068381 | epot = -38.2852323155718 | etot = -30.8521087510627 -45000 ekin = 4.04988136986444 | erot = 3.38338492043344 | epot = -38.3792178397491 | etot = -30.9459515494513 -46000 ekin = 4.12456204511551 | erot = 3.52614566674481 | epot = -38.4473213411913 | etot = -30.796613629331 -47000 ekin = 4.05260082430176 | erot = 3.30110271195189 | epot = -38.4808326895797 | etot = -31.127129153326 -48000 ekin = 3.94672633965036 | erot = 3.3079094466035 | epot = -38.4845357728863 | etot = -31.2298999866324 -49000 ekin = 3.88681575217737 | erot = 3.7826220382333 | epot = -38.441512853504 | etot = -30.7720750630934 -50000 ekin = 3.82899985395713 | erot = 3.78573156370331 | epot = -38.3450518110651 | etot = -30.7303203934047 -51000 ekin = 3.8440574703342 | erot = 3.5318167647978 | epot = -38.2059734024446 | etot = -30.8300991673126 -52000 ekin = 3.72257170524991 | erot = 3.44233441463351 | epot = -38.0493176755068 | etot = -30.8844115556234 -53000 ekin = 3.58458805955591 | erot = 3.40175184254422 | epot = -37.8770316144348 | etot = -30.8906917123346 -54000 ekin = 3.42774104644871 | erot = 3.019334453294 | epot = -37.7242775274777 | etot = -31.277202027735 -55000 ekin = 3.30773758120279 | erot = 3.11354928843073 | epot = -37.5844277892892 | etot = -31.1631409196556 -56000 ekin = 3.30267684217519 | erot = 3.36746893036052 | epot = -37.4528615341921 | etot = -30.7827157616564 -57000 ekin = 3.19775481140565 | erot = 3.06235541109216 | epot = -37.3795633131474 | etot = -31.1194530906496 -58000 ekin = 3.11776701522974 | erot = 3.21225050262699 | epot = -37.3545495658646 | etot = -31.0245320480079 -59000 ekin = 3.02660076850685 | erot = 3.05700513362467 | epot = -37.3753385948442 | etot = -31.2917326927127 -60000 ekin = 3.05479252149933 | erot = 3.09854486170695 | epot = -37.4441725320784 | etot = -31.2908351488721 -61000 ekin = 3.0170447679161 | erot = 3.76451997765653 | epot = -37.5384296958522 | etot = -30.7568649502795 -62000 ekin = 3.04313706615767 | erot = 3.65046217125996 | epot = -37.6255736746588 | etot = -30.9319744372411 -63000 ekin = 3.01457068009159 | erot = 3.63417424777149 | epot = -37.6954625017368 | etot = -31.0467175738737 -64000 ekin = 2.98716002899792 | erot = 3.6682341307717 | epot = -37.7940816265088 | etot = -31.1386874667392 -65000 ekin = 3.02462936411614 | erot = 3.70957377344581 | epot = -37.8868266007907 | etot = -31.1526234632287 -66000 ekin = 3.04943307417966 | erot = 3.64749592963954 | epot = -37.9385532609816 | etot = -31.2416242571625 -67000 ekin = 3.1066499876682 | erot = 3.92441992350054 | epot = -37.9686488739492 | etot = -30.9375789627804 -68000 ekin = 3.10508542338566 | erot = 3.51781674899961 | epot = -37.9831132441551 | etot = -31.3602110717698 -69000 ekin = 3.12460161346405 | erot = 3.45336993587922 | epot = -38.016048039057 | etot = -31.4380764897137 -70000 ekin = 3.2758656602578 | erot = 2.9433048812549 | epot = -38.0712687269606 | etot = -31.8520981854479 -71000 ekin = 3.39211310061244 | erot = 2.74512861011507 | epot = -38.1409313278077 | etot = -32.0036896170801 -72000 ekin = 3.40645093836715 | erot = 2.75927481548162 | epot = -38.2448895790434 | etot = -32.0791638251946 -73000 ekin = 3.52971008848809 | erot = 2.59006671029947 | epot = -38.3559671032089 | etot = -32.2361903044213 -74000 ekin = 3.64539698532463 | erot = 2.94116909218571 | epot = -38.4934235930849 | etot = -31.9068575155746 -75000 ekin = 3.801696795608 | erot = 3.11004664709642 | epot = -38.6561648833572 | etot = -31.7444214406528 -76000 ekin = 3.86343004207976 | erot = 3.33165114941781 | epot = -38.7892518002905 | etot = -31.5941706087929 -77000 ekin = 3.90472352035102 | erot = 3.31177401193371 | epot = -38.8678679983232 | etot = -31.6513704660385 -78000 ekin = 3.9269153046816 | erot = 3.25784074314334 | epot = -38.8969605625463 | etot = -31.7122045147213 -79000 ekin = 3.93607959529908 | erot = 3.16472395725651 | epot = -38.8636036578362 | etot = -31.7628001052806 -80000 ekin = 3.92375596570378 | erot = 3.03932991445862 | epot = -38.7678348516125 | etot = -31.8047489714501 -81000 ekin = 3.94307777153344 | erot = 2.88134017144298 | epot = -38.6473318824763 | etot = -31.8229139394999 -82000 ekin = 3.86696228915961 | erot = 2.89149309255461 | epot = -38.5199433915521 | etot = -31.7614880098378 -83000 ekin = 3.6081427560926 | erot = 2.81572010912292 | epot = -38.3996592376439 | etot = -31.9757963724284 -84000 ekin = 3.71373301448703 | erot = 2.72793818704548 | epot = -38.3011883980017 | etot = -31.8595171964692 -85000 ekin = 3.50951070251159 | erot = 2.79348490714941 | epot = -38.2117363909516 | etot = -31.9087407812906 -86000 ekin = 3.47308524750452 | erot = 3.12141964520655 | epot = -38.1244236248809 | etot = -31.5299187321698 -87000 ekin = 3.47440394227045 | erot = 3.04160702571501 | epot = -38.0440539828501 | etot = -31.5280430148646 -88000 ekin = 3.44172477689074 | erot = 2.9990722717108 | epot = -37.985933210493 | etot = -31.5451361618915 -89000 ekin = 3.46547245050653 | erot = 3.42367325086154 | epot = -37.9432140623316 | etot = -31.0540683609635 -90000 ekin = 3.47276106924418 | erot = 3.41105238494323 | epot = -37.9009776655539 | etot = -31.0171642113665 -91000 ekin = 3.31717291023281 | erot = 4.00503611404964 | epot = -37.8509086765272 | etot = -30.5286996522448 -92000 ekin = 3.30281925189457 | erot = 3.78657692130456 | epot = -37.8308149894368 | etot = -30.7414188162377 -93000 ekin = 3.23932364656724 | erot = 3.46021357148709 | epot = -37.8328101558439 | etot = -31.1332729377896 -94000 ekin = 3.19291152023926 | erot = 3.36401906457213 | epot = -37.8297890174383 | etot = -31.2728584326269 -95000 ekin = 3.11174095364039 | erot = 3.84559531996385 | epot = -37.8285495206063 | etot = -30.871213247002 -96000 ekin = 3.08253957616711 | erot = 4.19970849347949 | epot = -37.8307056468836 | etot = -30.548457577237 -97000 ekin = 3.01019162595086 | erot = 4.79435511235201 | epot = -37.8474383063021 | etot = -30.0428915679993 -98000 ekin = 2.95004498340949 | erot = 4.45721895779629 | epot = -37.8489202082855 | etot = -30.4416562670797 -99000 ekin = 2.91563074020307 | erot = 4.14781823161594 | epot = -37.8396252499933 | etot = -30.7761762781743 -100000 ekin = 2.90648603235873 | erot = 3.81215086067846 | epot = -37.7900595351461 | etot = -31.0714226421089 -101000 ekin = 2.85218071196321 | erot = 3.48991910340801 | epot = -37.7570245236791 | etot = -31.4149247083079 -102000 ekin = 2.86052427330306 | erot = 3.57587365782281 | epot = -37.7214005697291 | etot = -31.2850026386032 -103000 ekin = 2.8891327192239 | erot = 3.41748118405775 | epot = -37.6983180369494 | etot = -31.3917041336678 -104000 ekin = 2.81650081212178 | erot = 3.64361039549593 | epot = -37.6651320682074 | etot = -31.2050208605896 -105000 ekin = 2.79823699847459 | erot = 3.35865525277727 | epot = -37.6511913094719 | etot = -31.4942990582201 -106000 ekin = 2.78255015161699 | erot = 3.64122601097051 | epot = -37.6357012767033 | etot = -31.2119251141158 -107000 ekin = 2.88530590298807 | erot = 3.80038887689837 | epot = -37.6526611371133 | etot = -30.9669663572269 -108000 ekin = 2.83844762508153 | erot = 3.95272494897021 | epot = -37.7224292501162 | etot = -30.9312566760645 -109000 ekin = 2.91484982662488 | erot = 4.34544884566574 | epot = -37.8436434051328 | etot = -30.5833447328422 -110000 ekin = 2.93667443132402 | erot = 4.67698362049716 | epot = -37.9759529936705 | etot = -30.3622949418493 -111000 ekin = 3.11047864616464 | erot = 4.30694673133238 | epot = -38.1028692919236 | etot = -30.6854439144265 -112000 ekin = 3.32630420939175 | erot = 4.07222830175948 | epot = -38.2330557688864 | etot = -30.8345232577351 -113000 ekin = 3.38238157246172 | erot = 4.25399862575992 | epot = -38.4031841501304 | etot = -30.7668039519087 -114000 ekin = 3.40165200205494 | erot = 4.30744946748784 | epot = -38.6070332241658 | etot = -30.897931754623 -115000 ekin = 3.57685598139984 | erot = 4.55740206723824 | epot = -38.8200433287838 | etot = -30.6857852801457 -116000 ekin = 3.75973031177342 | erot = 4.36157654592901 | epot = -39.0323085624547 | etot = -30.9110017047523 -117000 ekin = 4.08170792820106 | erot = 4.22817627757005 | epot = -39.2374888319018 | etot = -30.9276046261307 -118000 ekin = 4.20730049786356 | erot = 4.45363628574763 | epot = -39.4247594107618 | etot = -30.7638226271506 -119000 ekin = 4.26502745539808 | erot = 4.38707691524364 | epot = -39.5609276649307 | etot = -30.908823294289 -120000 ekin = 4.18668022830479 | erot = 4.24219249569083 | epot = -39.6276325806845 | etot = -31.1987598566889 -121000 ekin = 4.37673633947888 | erot = 4.44899930150558 | epot = -39.5989335189463 | etot = -30.7731978779618 -122000 ekin = 4.38970640566175 | erot = 4.08524736298497 | epot = -39.5011631447288 | etot = -31.0262093760821 -123000 ekin = 4.42858502015388 | erot = 3.3866674865171 | epot = -39.3700347945818 | etot = -31.5547822879108 -124000 ekin = 4.41843242629726 | erot = 3.2990259988492 | epot = -39.2496495732995 | etot = -31.5321911481531 -125000 ekin = 4.26174945235079 | erot = 3.29673673713418 | epot = -39.1012418833315 | etot = -31.5427556938465 -126000 ekin = 4.24892047563245 | erot = 3.36728042977254 | epot = -38.9439369649169 | etot = -31.3277360595119 -127000 ekin = 4.20697642244211 | erot = 3.24776092764455 | epot = -38.7860930134988 | etot = -31.3313556634122 -128000 ekin = 4.05115550712502 | erot = 3.47679598409542 | epot = -38.6330582994879 | etot = -31.1051068082675 -129000 ekin = 4.05771564566357 | erot = 3.55109790126645 | epot = -38.5073350485465 | etot = -30.8985215016165 -130000 ekin = 3.96453894213024 | erot = 3.53313522266287 | epot = -38.391565950826 | etot = -30.8938917860329 -131000 ekin = 3.98900505769185 | erot = 3.64077310068002 | epot = -38.2786451293433 | etot = -30.6488669709715 -132000 ekin = 3.73079609117297 | erot = 3.73126171283416 | epot = -38.1409399456635 | etot = -30.6788821416564 -133000 ekin = 3.65247250435604 | erot = 3.53430985836842 | epot = -38.0235035134258 | etot = -30.8367211507014 -134000 ekin = 3.69649402588234 | erot = 3.97356364722734 | epot = -37.9278485959381 | etot = -30.2577909228284 -135000 ekin = 3.57147615494151 | erot = 4.00472599145957 | epot = -37.8397002442412 | etot = -30.2634980978401 -136000 ekin = 3.54164301577371 | erot = 3.88237062104613 | epot = -37.7460882463412 | etot = -30.3220746095214 -137000 ekin = 3.41247180964225 | erot = 3.32750587829706 | epot = -37.624611292303 | etot = -30.8846336043637 -138000 ekin = 3.46206567288778 | erot = 3.47277237990371 | epot = -37.562116148782 | etot = -30.6272780959905 -139000 ekin = 3.46179863350055 | erot = 3.29345554522848 | epot = -37.5218039357363 | etot = -30.7665497570072 -140000 ekin = 3.57268233853845 | erot = 3.52021546572331 | epot = -37.4799882832129 | etot = -30.3870904789511 -141000 ekin = 3.48030321137918 | erot = 3.69147952189479 | epot = -37.4842309048151 | etot = -30.3124481715412 -142000 ekin = 3.63349703801688 | erot = 3.72222694231689 | epot = -37.5326170636814 | etot = -30.1768930833476 -143000 ekin = 3.71391772492725 | erot = 3.32855653910442 | epot = -37.5715573506383 | etot = -30.5290830866066 -144000 ekin = 3.59876610372653 | erot = 3.57133292531719 | epot = -37.6083426167156 | etot = -30.4382435876719 -145000 ekin = 3.5512989873801 | erot = 3.38442665443486 | epot = -37.645703742064 | etot = -30.709978100249 -146000 ekin = 3.57274630492877 | erot = 3.74306660671644 | epot = -37.691839929883 | etot = -30.3760270182378 -147000 ekin = 3.5117518000457 | erot = 4.0750620350483 | epot = -37.7115891932223 | etot = -30.1247753581283 -148000 ekin = 3.52194530375138 | erot = 4.22438638639834 | epot = -37.7453589028592 | etot = -29.9990272127095 -149000 ekin = 3.43829227837994 | erot = 4.25032155928027 | epot = -37.7800675049656 | etot = -30.0914536673054 -150000 ekin = 3.39573759305128 | erot = 4.12519198982267 | epot = -37.7779101405858 | etot = -30.2569805577119 -151000 ekin = 3.38494817974853 | erot = 3.91154836764821 | epot = -37.7346130185548 | etot = -30.4381164711581 -152000 ekin = 3.3392823348606 | erot = 3.82420376901226 | epot = -37.692306373128 | etot = -30.5288202692551 -153000 ekin = 3.38955645731951 | erot = 3.72251905459204 | epot = -37.6703717263954 | etot = -30.5582962144839 -154000 ekin = 3.40170171151684 | erot = 3.95270448125714 | epot = -37.678389708439 | etot = -30.323983515665 -155000 ekin = 3.44581188687109 | erot = 3.52528589615975 | epot = -37.7593041359925 | etot = -30.7882063529616 -156000 ekin = 3.55410349285978 | erot = 3.68359553101928 | epot = -37.8946612865558 | etot = -30.6569622626767 -157000 ekin = 3.67740663285557 | erot = 3.73708949692863 | epot = -38.0406477694048 | etot = -30.6261516396206 -158000 ekin = 3.70912292320975 | erot = 3.62418205239296 | epot = -38.1900046609472 | etot = -30.8566996853445 -159000 ekin = 3.68532826191219 | erot = 3.87298071798096 | epot = -38.2928836797074 | etot = -30.7345746998143 -160000 ekin = 3.72002440516707 | erot = 4.11592492943231 | epot = -38.3652902740975 | etot = -30.5293409394981 -161000 ekin = 3.73388863499049 | erot = 4.42836121024192 | epot = -38.4373191354185 | etot = -30.2750692901861 -162000 ekin = 4.02523829931051 | erot = 4.86807694190568 | epot = -38.4975346699526 | etot = -29.6042194287364 -163000 ekin = 4.03311015138293 | erot = 4.78291233450127 | epot = -38.5597523007636 | etot = -29.7437298148794 -164000 ekin = 4.13350042233596 | erot = 5.01454292769814 | epot = -38.5888368946085 | etot = -29.4407935445744 -165000 ekin = 4.25718467214142 | erot = 4.92225725319178 | epot = -38.5829201612761 | etot = -29.4034782359429 -166000 ekin = 4.11013815046467 | erot = 4.53806000830091 | epot = -38.5467907483034 | etot = -29.8985925895378 -167000 ekin = 4.08710467384557 | erot = 4.20997030650441 | epot = -38.4814936158367 | etot = -30.1844186354868 -168000 ekin = 4.03924000036824 | erot = 3.95993274976389 | epot = -38.3759188508994 | etot = -30.3767461007673 -169000 ekin = 3.94917218886625 | erot = 3.65240127094113 | epot = -38.2594355677077 | etot = -30.6578621079003 -170000 ekin = 3.90935554205295 | erot = 3.78797512477882 | epot = -38.1835201359158 | etot = -30.486189469084 -171000 ekin = 3.87732504895437 | erot = 4.28652570004447 | epot = -38.1402484566641 | etot = -29.9763977076653 -172000 ekin = 3.75957929171811 | erot = 4.02272820820135 | epot = -38.1557340618709 | etot = -30.3734265619515 -173000 ekin = 3.55030915228991 | erot = 4.03115995993289 | epot = -38.2480280629193 | etot = -30.6665589506965 -174000 ekin = 3.61281225750305 | erot = 4.30402685904732 | epot = -38.3795080285351 | etot = -30.4626689119848 -175000 ekin = 3.56741376549368 | erot = 4.24945045724327 | epot = -38.512592945838 | etot = -30.695728723101 -176000 ekin = 3.69966296688439 | erot = 4.22673264606626 | epot = -38.613145916328 | etot = -30.6867503033774 -177000 ekin = 3.72329334774794 | erot = 4.3963702174486 | epot = -38.6555013846404 | etot = -30.5358378194439 -178000 ekin = 3.79919357666777 | erot = 4.00194735045323 | epot = -38.66205820756 | etot = -30.860917280439 -179000 ekin = 3.78008346787866 | erot = 4.05267692212517 | epot = -38.6224110467894 | etot = -30.7896506567856 -180000 ekin = 3.84388711467654 | erot = 3.7091612553256 | epot = -38.5399848480518 | etot = -30.9869364780497 -181000 ekin = 3.78854199589324 | erot = 3.43025530256464 | epot = -38.4472679874806 | etot = -31.2284706890227 -182000 ekin = 3.65298336461987 | erot = 3.41446703840053 | epot = -38.3421256904841 | etot = -31.2746752874636 -183000 ekin = 3.57592466495276 | erot = 3.54000226366919 | epot = -38.2342661287445 | etot = -31.1183392001226 -184000 ekin = 3.59097293869165 | erot = 3.49764131752706 | epot = -38.1237685559037 | etot = -31.035154299685 -185000 ekin = 3.59874593561893 | erot = 3.34180949424636 | epot = -38.034561395544 | etot = -31.0940059656787 -186000 ekin = 3.55637392703386 | erot = 3.60010534755649 | epot = -37.9685691221059 | etot = -30.8120898475155 -187000 ekin = 3.30341471869178 | erot = 3.63282669533315 | epot = -37.9082034969873 | etot = -30.9719620829624 -188000 ekin = 3.25151380843724 | erot = 3.41587081506784 | epot = -37.8374520507026 | etot = -31.1700674271975 -189000 ekin = 3.09888859581596 | erot = 3.51324139411321 | epot = -37.7831379378027 | etot = -31.1710079478736 -190000 ekin = 2.93096647890479 | erot = 3.73100049541747 | epot = -37.7090579094218 | etot = -31.0470909350995 -191000 ekin = 2.78845789536297 | erot = 3.59181404756272 | epot = -37.6234731970087 | etot = -31.243201254083 -192000 ekin = 2.6870850400641 | erot = 3.91911783313644 | epot = -37.5268833853882 | etot = -30.9206805121877 -193000 ekin = 2.65091164661283 | erot = 3.82754219131909 | epot = -37.4213833049328 | etot = -30.9429294670009 -194000 ekin = 2.55372434146197 | erot = 3.81228833556049 | epot = -37.3433541779818 | etot = -30.9773415009593 -195000 ekin = 2.54515296633903 | erot = 3.77157425987469 | epot = -37.2550689450338 | etot = -30.93834171882 -196000 ekin = 2.57228739351373 | erot = 3.48448370430651 | epot = -37.1707275909679 | etot = -31.1139564931476 -197000 ekin = 2.47659034250724 | erot = 3.3178807523235 | epot = -37.1125490303325 | etot = -31.3180779355017 -198000 ekin = 2.47817611131603 | erot = 3.41593598489791 | epot = -37.0628542395746 | etot = -31.1687421433607 -199000 ekin = 2.46398696321841 | erot = 3.79330738397075 | epot = -37.0410272717133 | etot = -30.7837329245241 -200000 ekin = 2.66032750534599 | erot = 3.50045834258025 | epot = -37.0560186461539 | etot = -30.8952327982277 -201000 ekin = 2.82925423269706 | erot = 3.87280363693021 | epot = -37.1094527749142 | etot = -30.4073949052869 -202000 ekin = 2.87690134773418 | erot = 3.73724666810618 | epot = -37.1548849140445 | etot = -30.5407368982041 -203000 ekin = 3.09789929071276 | erot = 3.5468763526948 | epot = -37.1913390618664 | etot = -30.5465634184588 -204000 ekin = 3.22497830820396 | erot = 3.52082166300899 | epot = -37.2064645595877 | etot = -30.4606645883747 -205000 ekin = 3.08968228459861 | erot = 3.62768693137644 | epot = -37.2539593887054 | etot = -30.5365901727303 -206000 ekin = 3.11014150174799 | erot = 3.7385678659097 | epot = -37.3166778706671 | etot = -30.4679685030094 -207000 ekin = 3.1829453735337 | erot = 4.25652712659364 | epot = -37.3463184168163 | etot = -29.9068459166889 -208000 ekin = 3.18396090757435 | erot = 4.43896014450647 | epot = -37.3566061410103 | etot = -29.7336850889295 -209000 ekin = 3.31348354672036 | erot = 3.97662877739666 | epot = -37.3764215045059 | etot = -30.0863091803889 -210000 ekin = 3.17486958285111 | erot = 3.68714944924479 | epot = -37.3622513109276 | etot = -30.5002322788317 -211000 ekin = 3.24777381738383 | erot = 3.39112189744184 | epot = -37.3847088569506 | etot = -30.7458131421249 -212000 ekin = 3.1218235472922 | erot = 3.15133571404841 | epot = -37.4262282165351 | etot = -31.1530689551944 -213000 ekin = 3.12323090197305 | erot = 3.03298058440252 | epot = -37.4993866522037 | etot = -31.3431751658281 -214000 ekin = 3.02782055391862 | erot = 3.51893074263816 | epot = -37.6187398888692 | etot = -31.0719885923124 -215000 ekin = 3.08902625374248 | erot = 3.6205495251311 | epot = -37.8003692924877 | etot = -31.0907935136142 -216000 ekin = 3.04029181666715 | erot = 4.36545701920723 | epot = -38.008684651192 | etot = -30.6029358153176 -217000 ekin = 3.11869416684302 | erot = 4.23835788568566 | epot = -38.175518074188 | etot = -30.8184660216593 -218000 ekin = 3.12136726795469 | erot = 3.996273681316 | epot = -38.3382201370156 | etot = -31.2205791877449 -219000 ekin = 3.24749965239936 | erot = 4.03289859762057 | epot = -38.4910930976407 | etot = -31.2106948476207 -220000 ekin = 3.19731650656636 | erot = 4.16726840142139 | epot = -38.6410163306452 | etot = -31.2764314226575 -221000 ekin = 3.14591003185417 | erot = 4.47643673281146 | epot = -38.7807221211561 | etot = -31.1583753564904 -222000 ekin = 3.06194834255762 | erot = 4.40957176775777 | epot = -38.8960295960945 | etot = -31.4245094857791 -223000 ekin = 3.09392792198329 | erot = 4.36929377800849 | epot = -38.9696160320109 | etot = -31.5063943320191 -224000 ekin = 3.18434099924859 | erot = 4.67414126058087 | epot = -39.0019773177328 | etot = -31.1434950579034 -225000 ekin = 3.26887097312568 | erot = 4.32849031089059 | epot = -39.0446790784002 | etot = -31.4473177943839 -226000 ekin = 3.21195731331507 | erot = 5.11387401999727 | epot = -39.0947841174991 | etot = -30.7689527841868 -227000 ekin = 3.12036258026493 | erot = 5.06347912205035 | epot = -39.0762383614625 | etot = -30.8923966591473 -228000 ekin = 3.09996729726211 | erot = 5.29564700287474 | epot = -39.020898871325 | etot = -30.6252845711882 -229000 ekin = 3.038979337959 | erot = 5.24780237112316 | epot = -38.9575212211327 | etot = -30.6707395120505 -230000 ekin = 3.00051887289145 | erot = 4.62162674048173 | epot = -38.9098464143819 | etot = -31.2877008010087 -231000 ekin = 2.91912781370869 | erot = 4.1632154756593 | epot = -38.8503568044397 | etot = -31.7680135150717 -232000 ekin = 2.80548407611273 | erot = 4.26963451717883 | epot = -38.7971045932123 | etot = -31.7219859999207 -233000 ekin = 2.921352071703 | erot = 4.30663886521624 | epot = -38.7943069633022 | etot = -31.5663160263829 -234000 ekin = 2.89875675710069 | erot = 4.15218445741156 | epot = -38.7953536145697 | etot = -31.7444124000574 -235000 ekin = 2.99243729544443 | erot = 3.66858116296991 | epot = -38.7881689836611 | etot = -32.1271505252468 -236000 ekin = 3.05722012426339 | erot = 3.77007572255966 | epot = -38.8307946718327 | etot = -32.0034988250097 -237000 ekin = 2.9379768603675 | erot = 4.00589644921924 | epot = -38.9299465153368 | etot = -31.9860732057501 -238000 ekin = 2.94144352009249 | erot = 3.88111097233611 | epot = -39.049865747263 | etot = -32.2273112548344 -239000 ekin = 3.10382951223872 | erot = 3.96380163382862 | epot = -39.1526703213399 | etot = -32.0850391752726 -240000 ekin = 3.05998182778603 | erot = 4.32395093282876 | epot = -39.2052189603878 | etot = -31.821286199773 -241000 ekin = 3.07091800265519 | erot = 4.10063821004071 | epot = -39.2356744872186 | etot = -32.0641182745227 -242000 ekin = 2.97211136503678 | erot = 4.19271702506008 | epot = -39.2591861941866 | etot = -32.0943578040897 -243000 ekin = 2.88784895332254 | erot = 4.01063377556437 | epot = -39.2721844581365 | etot = -32.3737017292496 -244000 ekin = 2.72034159299268 | erot = 3.94970789536676 | epot = -39.2969463203695 | etot = -32.62689683201 -245000 ekin = 2.73288139378785 | erot = 4.2955252560862 | epot = -39.3467303394195 | etot = -32.3183236895454 -246000 ekin = 2.68282749729222 | erot = 4.4395870918117 | epot = -39.40368508993 | etot = -32.2812705008261 -247000 ekin = 2.73156079717722 | erot = 4.29997633507679 | epot = -39.4831744493475 | etot = -32.4516373170935 -248000 ekin = 2.71615239962783 | erot = 4.48384110145858 | epot = -39.562569036112 | etot = -32.3625755350256 -249000 ekin = 2.72571373834887 | erot = 4.53350194835673 | epot = -39.6161562336933 | etot = -32.3569405469877 -250000 ekin = 2.67302825179687 | erot = 5.17929377781993 | epot = -39.6758534551746 | etot = -31.8235314255578 -251000 ekin = 2.65073658987032 | erot = 5.39364408144152 | epot = -39.7013652486053 | etot = -31.6569845772935 -252000 ekin = 2.81604561937354 | erot = 5.50799647083818 | epot = -39.6939189845584 | etot = -31.3698768943466 -253000 ekin = 2.83629985586584 | erot = 4.91166111825353 | epot = -39.6825773475312 | etot = -31.9346163734119 -254000 ekin = 2.79908189634042 | erot = 4.88281944777358 | epot = -39.6620010988141 | etot = -31.9800997547001 -255000 ekin = 2.84238496514407 | erot = 4.79166487708071 | epot = -39.6680683880921 | etot = -32.0340185458674 -256000 ekin = 2.82611571908345 | erot = 4.38756969310689 | epot = -39.7220228798982 | etot = -32.5083374677078 -257000 ekin = 2.78077325096868 | erot = 4.56426394538529 | epot = -39.765795760232 | etot = -32.420758563878 -258000 ekin = 2.84466353932839 | erot = 4.94939241805623 | epot = -39.7743058264471 | etot = -31.9802498690625 -259000 ekin = 2.82994372921752 | erot = 4.84156348043274 | epot = -39.784508432178 | etot = -32.1130012225277 -260000 ekin = 2.84769599243485 | erot = 4.63369709433915 | epot = -39.8060470464451 | etot = -32.3246539596711 -261000 ekin = 2.87237157835355 | erot = 4.51865061212274 | epot = -39.7979847736534 | etot = -32.4069625831772 -262000 ekin = 2.96750612225969 | erot = 4.57561390426951 | epot = -39.7782660470081 | etot = -32.2351460204789 -263000 ekin = 2.99289365842386 | erot = 4.20953311292942 | epot = -39.745321167764 | etot = -32.5428943964107 -264000 ekin = 3.02610258005876 | erot = 4.41804994162533 | epot = -39.7005266944524 | etot = -32.2563741727683 -265000 ekin = 3.02210011112748 | erot = 4.29011549844086 | epot = -39.6578667285882 | etot = -32.3456511190199 -266000 ekin = 2.95526029973602 | erot = 3.97220133607363 | epot = -39.5863143733948 | etot = -32.6588527375852 -267000 ekin = 2.96306286479385 | erot = 4.39982365552045 | epot = -39.5117362736934 | etot = -32.1488497533791 -268000 ekin = 2.98837918599786 | erot = 4.59043107838108 | epot = -39.4346030266012 | etot = -31.8557927622223 -269000 ekin = 2.92733730866711 | erot = 4.81492520489309 | epot = -39.3017884762548 | etot = -31.5595259626946 -270000 ekin = 2.90335610024265 | erot = 4.98515255872077 | epot = -39.1437745457484 | etot = -31.255265886785 -271000 ekin = 2.87611923369233 | erot = 5.02631285080424 | epot = -38.9919498909518 | etot = -31.0895178064552 -272000 ekin = 2.87770260774598 | erot = 4.83651556609765 | epot = -38.840809395014 | etot = -31.1265912211704 -273000 ekin = 2.77329089721178 | erot = 4.69693225863749 | epot = -38.6610493537943 | etot = -31.190826197945 -274000 ekin = 2.68625637002662 | erot = 4.51669986790576 | epot = -38.4509728982942 | etot = -31.2480166603618 -275000 ekin = 2.60330324454304 | erot = 4.20171703621295 | epot = -38.218249935628 | etot = -31.413229654872 -276000 ekin = 2.5718307631142 | erot = 3.79152446287654 | epot = -38.0174336495133 | etot = -31.6540784235226 -277000 ekin = 2.49975386368567 | erot = 3.59614150828635 | epot = -37.8474968832235 | etot = -31.7516015112514 -278000 ekin = 2.46398069339708 | erot = 3.65098267442642 | epot = -37.6582057642293 | etot = -31.5432423964058 -279000 ekin = 2.48339824565313 | erot = 3.67548575635034 | epot = -37.5048702413578 | etot = -31.3459862393544 -280000 ekin = 2.53376634761126 | erot = 3.55656380463981 | epot = -37.3937621487776 | etot = -31.3034319965265 -281000 ekin = 2.67002406168562 | erot = 3.81689537677424 | epot = -37.3207483356567 | etot = -30.8338288971968 -282000 ekin = 2.63534042744473 | erot = 3.62617225051185 | epot = -37.2561498174831 | etot = -30.9946371395265 -283000 ekin = 2.62204960593212 | erot = 3.60063437351288 | epot = -37.1865464899413 | etot = -30.9638625104963 -284000 ekin = 2.67681575008792 | erot = 3.61566503901022 | epot = -37.1459845078296 | etot = -30.8535037187314 -285000 ekin = 2.71360352201124 | erot = 3.48822466196448 | epot = -37.1436040722676 | etot = -30.9417758882919 -286000 ekin = 2.72409949367872 | erot = 3.69046973300093 | epot = -37.1515114688671 | etot = -30.7369422421875 -287000 ekin = 2.78141221541724 | erot = 3.56169254019551 | epot = -37.1836412585712 | etot = -30.8405365029585 -288000 ekin = 2.93111949257215 | erot = 3.85252275716863 | epot = -37.2722312757955 | etot = -30.4885890260547 -289000 ekin = 3.22039073654111 | erot = 3.65796134125561 | epot = -37.4105935842029 | etot = -30.5322415064062 -290000 ekin = 3.45543672952173 | erot = 3.63587074171862 | epot = -37.5601919395408 | etot = -30.4688844683004 -291000 ekin = 3.52760878967904 | erot = 4.20430698093704 | epot = -37.7322836777774 | etot = -30.0003679071614 -292000 ekin = 3.68972381818918 | erot = 4.12076553978675 | epot = -37.9100323199299 | etot = -30.099542961954 -293000 ekin = 3.83177225674866 | erot = 4.37726484522711 | epot = -38.0821109906698 | etot = -29.873073888694 -294000 ekin = 4.06640459910184 | erot = 3.74462680595312 | epot = -38.1926156973086 | etot = -30.3815842922536 -295000 ekin = 4.21784736111051 | erot = 3.82616484716773 | epot = -38.2890286287626 | etot = -30.2450164204843 -296000 ekin = 4.26440738773642 | erot = 3.95694734709946 | epot = -38.3824567525617 | etot = -30.1611020177258 -297000 ekin = 4.04618321058694 | erot = 4.11344152769738 | epot = -38.4823151027029 | etot = -30.3226903644186 -298000 ekin = 4.04534420229638 | erot = 4.08413503201913 | epot = -38.5648464298593 | etot = -30.4353671955438 -299000 ekin = 4.05890996735844 | erot = 4.75454163668528 | epot = -38.6394632376441 | etot = -29.8260116336004 -300000 ekin = 4.0635552245577 | erot = 4.46292256841634 | epot = -38.7062117520834 | etot = -30.1797339591093 -301000 ekin = 4.01853385887666 | erot = 4.67242188374991 | epot = -38.7555551980346 | etot = -30.064599455408 -302000 ekin = 3.97170308302892 | erot = 4.62245717998414 | epot = -38.7884989680144 | etot = -30.1943387050014 -303000 ekin = 4.00670279913505 | erot = 4.89772983741924 | epot = -38.7992363136571 | etot = -29.8948036771028 -304000 ekin = 3.81374525151675 | erot = 4.65389365987343 | epot = -38.8327396351168 | etot = -30.3651007237266 -305000 ekin = 3.70792918499057 | erot = 4.53646691129898 | epot = -38.8671341843094 | etot = -30.6227380880198 -306000 ekin = 3.5851913585686 | erot = 4.40317156262038 | epot = -38.8961174826079 | etot = -30.9077545614189 -307000 ekin = 3.52830601019323 | erot = 4.12955816022915 | epot = -38.9381266871204 | etot = -31.280262516698 -308000 ekin = 3.37444573697906 | erot = 3.65266283146944 | epot = -38.9820449321947 | etot = -31.9549363637462 -309000 ekin = 3.29877896595899 | erot = 4.06788139443835 | epot = -39.036569619858 | etot = -31.6699092594607 -310000 ekin = 3.27216182566105 | erot = 3.86752279813193 | epot = -39.0649343092174 | etot = -31.9252496854244 -311000 ekin = 3.26050147382305 | erot = 3.90928978323582 | epot = -39.0580520931937 | etot = -31.8882608361348 -312000 ekin = 3.18483009089521 | erot = 3.90959546619214 | epot = -39.0257212693581 | etot = -31.9312957122708 -313000 ekin = 3.09609326591795 | erot = 3.75025646421262 | epot = -38.9535227577839 | etot = -32.1071730276533 -314000 ekin = 2.95184537018542 | erot = 4.07381717812341 | epot = -38.8888909934783 | etot = -31.8632284451695 -315000 ekin = 2.92238623527567 | erot = 3.96815066682739 | epot = -38.8370494801768 | etot = -31.9465125780737 -316000 ekin = 2.71301507861596 | erot = 3.80807978932931 | epot = -38.799834574398 | etot = -32.2787397064527 -317000 ekin = 2.71357150367647 | erot = 4.15190966526565 | epot = -38.7626719044115 | etot = -31.8971907354694 -318000 ekin = 2.62158267835359 | erot = 4.27134701113436 | epot = -38.7271070788676 | etot = -31.8341773893796 -319000 ekin = 2.55366548062862 | erot = 4.41350408683203 | epot = -38.7297464727616 | etot = -31.7625769053009 -320000 ekin = 2.43397240538545 | erot = 4.29070167476848 | epot = -38.7203908826319 | etot = -31.995716802478 -321000 ekin = 2.4091696193894 | erot = 4.08120981437134 | epot = -38.7041016741435 | etot = -32.2137222403828 -322000 ekin = 2.40921951438691 | erot = 3.84656254092884 | epot = -38.6896664254558 | etot = -32.4338843701401 -323000 ekin = 2.47763175846149 | erot = 3.74024157191534 | epot = -38.6582034756258 | etot = -32.440330145249 -324000 ekin = 2.50557286685258 | erot = 3.62726015904489 | epot = -38.6277589097223 | etot = -32.4949258838248 -325000 ekin = 2.46128003790469 | erot = 3.30955838055057 | epot = -38.6182210526501 | etot = -32.8473826341949 -326000 ekin = 2.5036042222413 | erot = 3.11309077075945 | epot = -38.6155228491478 | etot = -32.998827856147 -327000 ekin = 2.58559564340014 | erot = 3.03172964208485 | epot = -38.6235874334492 | etot = -33.0062621479642 -328000 ekin = 2.7498426607985 | erot = 3.02808338407904 | epot = -38.6550386035095 | etot = -32.8771125586319 -329000 ekin = 2.91966436364517 | erot = 2.97144348177553 | epot = -38.6820454853232 | etot = -32.7909376399025 -330000 ekin = 3.01494295487831 | erot = 3.44138384990523 | epot = -38.7383158304586 | etot = -32.2819890256751 -331000 ekin = 3.02442201542035 | erot = 3.78657407910216 | epot = -38.7939596216321 | etot = -31.9829635271096 -332000 ekin = 3.04445691127442 | erot = 3.8278890195312 | epot = -38.8517978078766 | etot = -31.979451877071 -333000 ekin = 3.03465557138406 | erot = 3.68623317701473 | epot = -38.9019287356726 | etot = -32.1810399872738 -334000 ekin = 2.98091475863421 | erot = 3.87909097065042 | epot = -38.9429458678105 | etot = -32.0829401385258 -335000 ekin = 3.18730692360931 | erot = 3.9229815323581 | epot = -38.9915367606724 | etot = -31.881248304705 -336000 ekin = 3.28082580011883 | erot = 4.25501923477972 | epot = -39.0382949038811 | etot = -31.5024498689825 -337000 ekin = 3.33075954016498 | erot = 4.58632261209064 | epot = -39.0662594017922 | etot = -31.1491772495366 -338000 ekin = 3.31328438683345 | erot = 4.17966745642974 | epot = -39.0415239975115 | etot = -31.5485721542483 -339000 ekin = 3.33917527804133 | erot = 4.28130062815462 | epot = -38.9842917012714 | etot = -31.3638157950755 -340000 ekin = 3.33492148280262 | erot = 4.35651035139101 | epot = -38.8943885223068 | etot = -31.2029566881131 -341000 ekin = 3.34614172096363 | erot = 4.05115720989153 | epot = -38.7823758155587 | etot = -31.3850768847036 -342000 ekin = 3.34251507796678 | erot = 4.42814474655728 | epot = -38.6331517957714 | etot = -30.8624919712473 -343000 ekin = 3.20631341754612 | erot = 3.78967989344564 | epot = -38.4960486393224 | etot = -31.5000553283306 -344000 ekin = 3.07148244251153 | erot = 3.87583965670226 | epot = -38.3948328820768 | etot = -31.447510782863 -345000 ekin = 3.09789874291703 | erot = 3.99460565240904 | epot = -38.3201974875894 | etot = -31.2276930922633 -346000 ekin = 3.02500081268322 | erot = 3.91508207831951 | epot = -38.27506306136 | etot = -31.3349801703573 -347000 ekin = 2.94406849477762 | erot = 3.8622967016244 | epot = -38.2289722622904 | etot = -31.4226070658884 -348000 ekin = 2.95641250006426 | erot = 3.72625853383772 | epot = -38.1919210104045 | etot = -31.5092499765026 -349000 ekin = 3.03918076184473 | erot = 3.94202050743586 | epot = -38.1810668298085 | etot = -31.1998655605279 -350000 ekin = 3.09062612520389 | erot = 3.91215331884812 | epot = -38.2023245264386 | etot = -31.1995450823866 -351000 ekin = 3.13831719496464 | erot = 3.99916602553218 | epot = -38.2111529945909 | etot = -31.0736697740941 -352000 ekin = 3.10196313130342 | erot = 3.92254342354138 | epot = -38.2543166357448 | etot = -31.2298100809 -353000 ekin = 3.17266611312433 | erot = 3.89473509639757 | epot = -38.3205511283306 | etot = -31.2531499188087 -354000 ekin = 3.20288707130886 | erot = 4.38957454856396 | epot = -38.3888699269268 | etot = -30.796408307054 -355000 ekin = 3.1596595759597 | erot = 4.27393537405652 | epot = -38.4369161779509 | etot = -31.0033212279347 -356000 ekin = 3.0196784402613 | erot = 4.46559381130417 | epot = -38.4622452099032 | etot = -30.9769729583378 -357000 ekin = 2.97836465744993 | erot = 4.24123654485003 | epot = -38.4340474220209 | etot = -31.214446219721 -358000 ekin = 2.90298621775703 | erot = 4.00214290087722 | epot = -38.3669225243923 | etot = -31.4617934057581 -359000 ekin = 2.89703951576627 | erot = 3.75540528896982 | epot = -38.2596281019022 | etot = -31.6071832971661 -360000 ekin = 2.89517468979402 | erot = 3.69844688179083 | epot = -38.1408983158931 | etot = -31.5472767443082 -361000 ekin = 2.80138616808295 | erot = 3.38323529451502 | epot = -38.0246589917391 | etot = -31.8400375291411 -362000 ekin = 2.77162168417612 | erot = 2.91331523066537 | epot = -37.9398868290149 | etot = -32.2549499141734 -363000 ekin = 2.78539815378433 | erot = 2.68460040337589 | epot = -37.8665635409938 | etot = -32.3965649838336 -364000 ekin = 2.6806781219229 | erot = 2.78677391239236 | epot = -37.7617899033784 | etot = -32.2943378690631 -365000 ekin = 2.54070043685876 | erot = 2.83653994835753 | epot = -37.6554311404474 | etot = -32.2781907552311 -366000 ekin = 2.41606481092138 | erot = 2.86609766611192 | epot = -37.5516282283376 | etot = -32.2694657513043 -367000 ekin = 2.46811866465482 | erot = 3.34221140329 | epot = -37.4475028758826 | etot = -31.6371728079378 -368000 ekin = 2.42926223365494 | erot = 3.33046663396725 | epot = -37.3674460967945 | etot = -31.6077172291723 -369000 ekin = 2.43816169312792 | erot = 3.26459431026916 | epot = -37.3019788371043 | etot = -31.5992228337072 -370000 ekin = 2.46038177337525 | erot = 3.10066469966251 | epot = -37.2626057339964 | etot = -31.7015592609586 -371000 ekin = 2.44062438526228 | erot = 2.87778487491551 | epot = -37.2539180634397 | etot = -31.9355088032619 -372000 ekin = 2.4119643832672 | erot = 3.07515188922145 | epot = -37.3089635753533 | etot = -31.8218473028647 -373000 ekin = 2.48050565170775 | erot = 3.18196875652298 | epot = -37.4397878357735 | etot = -31.7773134275428 -374000 ekin = 2.63530688061921 | erot = 3.59156982435214 | epot = -37.5884648424034 | etot = -31.3615881374321 -375000 ekin = 2.68283894448257 | erot = 3.3245108406823 | epot = -37.7715422578285 | etot = -31.7641924726636 -376000 ekin = 2.79488034579907 | erot = 3.22988532668875 | epot = -38.0009039102152 | etot = -31.9761382377273 -377000 ekin = 2.97793932778636 | erot = 3.1487944738539 | epot = -38.2360750185572 | etot = -32.1093412169169 -378000 ekin = 3.04959845592823 | erot = 3.49481966296083 | epot = -38.5013695235687 | etot = -31.9569514046797 -379000 ekin = 3.19106410727104 | erot = 3.36561045250103 | epot = -38.7688607813371 | etot = -32.2121862215651 -380000 ekin = 3.25183572215722 | erot = 3.58875776192795 | epot = -39.0288452181148 | etot = -32.1882517340297 -381000 ekin = 3.33794215221589 | erot = 3.69339177566719 | epot = -39.3017064605086 | etot = -32.2703725326255 -382000 ekin = 3.49270190624137 | erot = 3.86829998834039 | epot = -39.5268729273469 | etot = -32.1658710327651 -383000 ekin = 3.55662169084774 | erot = 3.53333329088007 | epot = -39.726779107516 | etot = -32.6368241257882 -384000 ekin = 3.69351012028544 | erot = 3.28268730044336 | epot = -39.8789874723582 | etot = -32.9027900516294 -385000 ekin = 3.68733706037504 | erot = 3.68055641648011 | epot = -39.999883925349 | etot = -32.6319904484938 -386000 ekin = 3.71694831249284 | erot = 3.79434784508062 | epot = -40.0869801892988 | etot = -32.5756840317253 -387000 ekin = 3.76861509268673 | erot = 3.88558369375086 | epot = -40.1715737743675 | etot = -32.5173749879299 -388000 ekin = 3.8301760688337 | erot = 4.20859412334347 | epot = -40.2007323597247 | etot = -32.1619621675475 -389000 ekin = 3.86768485031758 | erot = 3.99003783907099 | epot = -40.1899129305042 | etot = -32.3321902411156 -390000 ekin = 3.97485559059841 | erot = 3.73907035926306 | epot = -40.1534652302146 | etot = -32.4395392803531 -391000 ekin = 3.99255423920738 | erot = 3.459854141016 | epot = -40.0955220791989 | etot = -32.6431136989755 -392000 ekin = 4.01983776245668 | erot = 3.684257426475 | epot = -39.9999647918604 | etot = -32.2958696029287 -393000 ekin = 4.02356764424247 | erot = 3.83787437414721 | epot = -39.8549016020689 | etot = -31.9934595836793 -394000 ekin = 3.93980876114322 | erot = 3.99211744164119 | epot = -39.7011477670266 | etot = -31.7692215642422 -395000 ekin = 4.11174368478723 | erot = 3.75033473410246 | epot = -39.5451859148434 | etot = -31.6831074959538 -396000 ekin = 4.20376876107167 | erot = 3.67040632781357 | epot = -39.394880998087 | etot = -31.5207059092017 -397000 ekin = 4.13633572842997 | erot = 3.65151581957605 | epot = -39.2564297317577 | etot = -31.4685781837517 -398000 ekin = 4.13905245601627 | erot = 3.71620600673367 | epot = -39.093596770216 | etot = -31.2383383074661 -399000 ekin = 4.10332411545528 | erot = 3.71374971681591 | epot = -38.9205234935042 | etot = -31.103449661233 -400000 ekin = 4.06766016908479 | erot = 3.42139504654381 | epot = -38.7497473150009 | etot = -31.2606920993723 -401000 ekin = 3.97284164111999 | erot = 3.81120481171761 | epot = -38.6001977504163 | etot = -30.8161512975787 -402000 ekin = 3.90587383547465 | erot = 3.53418826218585 | epot = -38.4681757167877 | etot = -31.0281136191272 -403000 ekin = 3.91259869514561 | erot = 3.63738639184103 | epot = -38.3230308363684 | etot = -30.7730457493818 -404000 ekin = 3.79936006877832 | erot = 3.32641249272552 | epot = -38.2009092385689 | etot = -31.0751366770651 -405000 ekin = 3.8251759680116 | erot = 3.13064904024261 | epot = -38.1553776059004 | etot = -31.1995525976462 -406000 ekin = 3.73725599382609 | erot = 3.08306268157751 | epot = -38.1316917306566 | etot = -31.311373055253 -407000 ekin = 3.726517750459 | erot = 3.09861818078622 | epot = -38.1634910279953 | etot = -31.3383550967501 -408000 ekin = 3.79931976439459 | erot = 3.25718386016374 | epot = -38.2217683212397 | etot = -31.1652646966814 -409000 ekin = 3.95093187918724 | erot = 3.4395040977601 | epot = -38.2689453197333 | etot = -30.8785093427859 -410000 ekin = 4.07121708138889 | erot = 3.83760071106058 | epot = -38.3189798432044 | etot = -30.4101620507549 -411000 ekin = 4.23307978558165 | erot = 3.98162063698057 | epot = -38.3721329673504 | etot = -30.1574325447882 -412000 ekin = 4.241170808143 | erot = 3.99737193476948 | epot = -38.4124767699443 | etot = -30.1739340270318 -413000 ekin = 4.23580670923547 | erot = 3.8106439850279 | epot = -38.4212920990952 | etot = -30.3748414048318 -414000 ekin = 4.27445938143083 | erot = 3.9812454132049 | epot = -38.4106571527341 | etot = -30.1549523580983 -415000 ekin = 4.38899479005091 | erot = 3.80279226112388 | epot = -38.3596783722964 | etot = -30.1678913211216 -416000 ekin = 4.45628965411063 | erot = 3.63102956113277 | epot = -38.3042311126166 | etot = -30.2169118973732 -417000 ekin = 4.49028461121067 | erot = 3.62754419665983 | epot = -38.25831980893 | etot = -30.1404910010595 -418000 ekin = 4.45936601962003 | erot = 3.71144506663837 | epot = -38.1813464675297 | etot = -30.0105353812713 -419000 ekin = 4.38379837521008 | erot = 3.33513327030905 | epot = -38.0724868069419 | etot = -30.3535551614228 -420000 ekin = 4.283111933024 | erot = 3.09826419668605 | epot = -37.9370678690097 | etot = -30.5556917392996 -421000 ekin = 4.152480975106 | erot = 3.56237827808224 | epot = -37.7709210423883 | etot = -30.0560617892 -422000 ekin = 3.95490687211588 | erot = 3.47480957997332 | epot = -37.5854884820709 | etot = -30.1557720299817 -423000 ekin = 3.91714305790356 | erot = 3.4847628632339 | epot = -37.3949936437694 | etot = -29.9930877226319 -424000 ekin = 3.84213202460288 | erot = 3.52777059768033 | epot = -37.2158434462617 | etot = -29.8459408239785 -425000 ekin = 3.71924289661388 | erot = 3.33663609660611 | epot = -37.072252600123 | etot = -30.016373606903 -426000 ekin = 3.64441997260647 | erot = 3.36227935441014 | epot = -36.9667678357551 | etot = -29.9600685087385 -427000 ekin = 3.75655721345781 | erot = 3.37897054079373 | epot = -36.8611280898055 | etot = -29.7256003355539 -428000 ekin = 3.74409443646521 | erot = 3.1773287235424 | epot = -36.742715037602 | etot = -29.8212918775944 -429000 ekin = 3.6632902831786 | erot = 2.78764787478687 | epot = -36.6486255145436 | etot = -30.1976873565782 -430000 ekin = 3.62135290496445 | erot = 2.6733797516058 | epot = -36.560604151542 | etot = -30.2658714949717 -431000 ekin = 3.61616361793053 | erot = 2.69754710014203 | epot = -36.506732939117 | etot = -30.1930222210445 -432000 ekin = 3.49552617760825 | erot = 3.08491352170465 | epot = -36.485170074763 | etot = -29.9047303754501 -433000 ekin = 3.58020816083944 | erot = 2.88002256286314 | epot = -36.5217696117553 | etot = -30.0615388880528 -434000 ekin = 3.59867849318971 | erot = 3.0840797331355 | epot = -36.6202495320039 | etot = -29.9374913056787 -435000 ekin = 3.67331527289036 | erot = 3.42657552434419 | epot = -36.7488916307825 | etot = -29.6490008335479 -436000 ekin = 3.82088042289272 | erot = 3.65447442369897 | epot = -36.9085622220517 | etot = -29.43320737546 -437000 ekin = 3.86869421673766 | erot = 3.95470287079859 | epot = -37.0720316005957 | etot = -29.2486345130595 -438000 ekin = 4.11090595842083 | erot = 3.77540801446838 | epot = -37.2088542252226 | etot = -29.3225402523333 -439000 ekin = 4.12926159073602 | erot = 4.06917140325885 | epot = -37.351759051221 | etot = -29.1533260572261 -440000 ekin = 4.09029177261524 | erot = 4.14981299565281 | epot = -37.4912988817269 | etot = -29.2511941134588 -441000 ekin = 4.14485979348682 | erot = 4.37283240826395 | epot = -37.6181493098546 | etot = -29.1004571081038 -442000 ekin = 4.12304009572841 | erot = 4.39045893698217 | epot = -37.7155315750664 | etot = -29.2020325423558 -443000 ekin = 4.23471751438731 | erot = 4.14989601608928 | epot = -37.768614271265 | etot = -29.3840007407884 -444000 ekin = 4.35772646838224 | erot = 4.52232474512897 | epot = -37.7816885908053 | etot = -28.9016373772941 -445000 ekin = 4.39118784053262 | erot = 4.66570824296109 | epot = -37.7439950146598 | etot = -28.6870989311661 -446000 ekin = 4.39675921765031 | erot = 4.46936063153376 | epot = -37.6960851354907 | etot = -28.8299652863066 -447000 ekin = 4.35336664890442 | erot = 4.44173113672769 | epot = -37.6140263912413 | etot = -28.8189286056092 -448000 ekin = 4.28498441172979 | erot = 4.19781838322426 | epot = -37.5090341348627 | etot = -29.0262313399087 -449000 ekin = 4.31763982219652 | erot = 4.52832551746764 | epot = -37.4084017454329 | etot = -28.5624364057687 -450000 ekin = 4.34138928411261 | erot = 4.44258564037432 | epot = -37.3062489259438 | etot = -28.5222740014569 -451000 ekin = 4.30985185878605 | erot = 4.23825662962946 | epot = -37.1459619150061 | etot = -28.5978534265906 -452000 ekin = 4.32592045036098 | erot = 3.8660276663028 | epot = -36.9847035634508 | etot = -28.792755446787 -453000 ekin = 4.32845268851063 | erot = 3.54171363095618 | epot = -36.8340779762824 | etot = -28.9639116568156 -454000 ekin = 4.31011457813703 | erot = 3.79537837348597 | epot = -36.7199830616559 | etot = -28.6144901100328 -455000 ekin = 4.29550433639214 | erot = 3.85241036204668 | epot = -36.6489739160371 | etot = -28.5010592175982 -456000 ekin = 4.37032742709196 | erot = 4.00721124204773 | epot = -36.6190063800956 | etot = -28.2414677109559 -457000 ekin = 4.36426470286789 | erot = 3.85637152044941 | epot = -36.5969553476853 | etot = -28.376319124368 -458000 ekin = 4.32567014378617 | erot = 3.50123530464575 | epot = -36.5630453883135 | etot = -28.7361399398816 -459000 ekin = 4.3893381573867 | erot = 3.57401843708546 | epot = -36.5693343587042 | etot = -28.605977764232 -460000 ekin = 4.31317855607494 | erot = 4.09613513000612 | epot = -36.6229031356536 | etot = -28.2135894495725 -461000 ekin = 4.31811012640179 | erot = 4.38273826542215 | epot = -36.70247802377 | etot = -28.0016296319461 -462000 ekin = 4.3366863877001 | erot = 4.51374491218817 | epot = -36.8227361919449 | etot = -27.9723048920566 -463000 ekin = 4.27564269849664 | erot = 4.86202296781303 | epot = -36.9415310835084 | etot = -27.8038654171987 -464000 ekin = 4.25704856573543 | erot = 4.74085846897256 | epot = -37.0390079052471 | etot = -28.0411008705391 -465000 ekin = 4.27536374407092 | erot = 4.49932366093905 | epot = -37.1090432428533 | etot = -28.3343558378433 -466000 ekin = 4.30607368146068 | erot = 4.23786653917903 | epot = -37.1491605127936 | etot = -28.6052202921539 -467000 ekin = 4.2491978620046 | erot = 4.12771930877699 | epot = -37.1714598423964 | etot = -28.7945426716148 -468000 ekin = 4.39683218085591 | erot = 3.85228521386559 | epot = -37.2088712844973 | etot = -28.9597538897758 -469000 ekin = 4.64124419278982 | erot = 3.80754439193721 | epot = -37.276730222032 | etot = -28.8279416373049 -470000 ekin = 4.66178408905675 | erot = 3.92065938428513 | epot = -37.3876740781875 | etot = -28.8052306048457 -471000 ekin = 4.75392904131986 | erot = 4.24739494727095 | epot = -37.5007122646075 | etot = -28.4993882760167 -472000 ekin = 4.78287126449292 | erot = 4.29738258008793 | epot = -37.5977046601011 | etot = -28.5174508155202 -473000 ekin = 4.83746609770183 | erot = 4.38666527032485 | epot = -37.6671790710826 | etot = -28.4430477030559 -474000 ekin = 4.79054197671376 | erot = 4.34169424272138 | epot = -37.6856820094293 | etot = -28.5534457899942 -475000 ekin = 4.83235787688145 | erot = 4.21788406575012 | epot = -37.6508263787861 | etot = -28.6005844361546 -476000 ekin = 4.77650421806813 | erot = 4.23519664592598 | epot = -37.5559363402036 | etot = -28.5442354762095 -477000 ekin = 4.70149228687153 | erot = 3.94955206004049 | epot = -37.4316333722383 | etot = -28.7805890253263 -478000 ekin = 4.65828612344613 | erot = 3.52306589214554 | epot = -37.3056353897912 | etot = -29.1242833741995 -479000 ekin = 4.49034904671755 | erot = 3.69691237093679 | epot = -37.1645007343033 | etot = -28.977239316649 -480000 ekin = 4.42035953830873 | erot = 3.62614880736063 | epot = -36.9855336534948 | etot = -28.9390253078254 -481000 ekin = 4.29236052675552 | erot = 3.46283113670755 | epot = -36.778837676618 | etot = -29.0236460131549 -482000 ekin = 4.24695006747703 | erot = 3.64617122659715 | epot = -36.5783264764331 | etot = -28.685205182359 -483000 ekin = 4.27724439911399 | erot = 3.65906944039054 | epot = -36.4031794376627 | etot = -28.4668655981582 -484000 ekin = 4.2785974211617 | erot = 3.80998418987604 | epot = -36.2601336102694 | etot = -28.1715519992317 -485000 ekin = 4.21291837199932 | erot = 3.8427823044223 | epot = -36.141503315863 | etot = -28.0858026394413 -486000 ekin = 3.9839252640706 | erot = 3.69687119417294 | epot = -36.0420007851875 | etot = -28.3612043269439 -487000 ekin = 3.87685523954227 | erot = 3.52087214489094 | epot = -35.9790179936878 | etot = -28.5812906092545 -488000 ekin = 3.74675884240029 | erot = 3.80072807052997 | epot = -35.9652058586033 | etot = -28.417718945673 -489000 ekin = 3.61099051841834 | erot = 4.09702697313287 | epot = -35.9887686799326 | etot = -28.2807511883814 -490000 ekin = 3.72073699277815 | erot = 3.89157882585025 | epot = -36.0103724524783 | etot = -28.3980566338499 -491000 ekin = 3.72740917275115 | erot = 4.01795497893002 | epot = -36.0292354570353 | etot = -28.2838713053542 -492000 ekin = 3.67547789628858 | erot = 3.85969822517316 | epot = -36.0430681478948 | etot = -28.507892026433 -493000 ekin = 3.65198421841226 | erot = 3.75518718738361 | epot = -36.0824152706771 | etot = -28.6752438648813 -494000 ekin = 3.4852821998486 | erot = 3.8153550877854 | epot = -36.1423710455837 | etot = -28.8417337579497 -495000 ekin = 3.31359070882208 | erot = 4.11558724766118 | epot = -36.2268684383707 | etot = -28.7976904818874 -496000 ekin = 3.27798311005969 | erot = 3.88806115727323 | epot = -36.3363270902379 | etot = -29.170282822905 -497000 ekin = 3.23000081873816 | erot = 4.5315385178341 | epot = -36.481720183114 | etot = -28.7201808465418 -498000 ekin = 3.35490986062535 | erot = 4.76314991175258 | epot = -36.6514686581236 | etot = -28.5334088857457 -499000 ekin = 3.39102564180502 | erot = 4.99058516868934 | epot = -36.8025368986548 | etot = -28.4209260881604 -500000 ekin = 3.44319922277998 | erot = 4.29432196305736 | epot = -36.9177193599231 | etot = -29.1801981740858 -501000 ekin = 3.47746008955509 | erot = 4.289941738028 | epot = -37.0187053512324 | etot = -29.2513035236494 -502000 ekin = 3.58696948456752 | erot = 4.55410136617418 | epot = -37.1018103829437 | etot = -28.960739532202 -503000 ekin = 3.68317380855592 | erot = 4.60652443433648 | epot = -37.1620776601797 | etot = -28.8723794172873 -504000 ekin = 3.68852053014443 | erot = 4.67783023002264 | epot = -37.2052759454199 | etot = -28.8389251852528 -505000 ekin = 3.88723268453866 | erot = 4.53079850437663 | epot = -37.2950608294683 | etot = -28.877029640553 -506000 ekin = 3.80925396925163 | erot = 4.47086505886218 | epot = -37.3479933337838 | etot = -29.06787430567 -507000 ekin = 3.73248519551991 | erot = 4.21393839264144 | epot = -37.4256513139284 | etot = -29.4792277257671 -508000 ekin = 3.80672760184063 | erot = 3.93708079377005 | epot = -37.4951091449467 | etot = -29.751300749336 -509000 ekin = 3.80086991164608 | erot = 3.74333566662504 | epot = -37.5406480313395 | etot = -29.9964424530683 -510000 ekin = 3.89850649197978 | erot = 3.97775581109505 | epot = -37.5934385426631 | etot = -29.7171762395883 -511000 ekin = 3.81393185765464 | erot = 4.00469160928647 | epot = -37.6349932199755 | etot = -29.8163697530344 -512000 ekin = 3.7684396284637 | erot = 4.34524756747826 | epot = -37.6787808921542 | etot = -29.5650936962122 -513000 ekin = 3.70769437024747 | erot = 4.19222442242684 | epot = -37.7114576947707 | etot = -29.8115389020964 -514000 ekin = 3.65606306228176 | erot = 4.64296237641028 | epot = -37.7095823242883 | etot = -29.4105568855962 -515000 ekin = 3.5052281855745 | erot = 4.47916848114099 | epot = -37.6783049637298 | etot = -29.6939082970143 -516000 ekin = 3.59266443877101 | erot = 5.02978018029494 | epot = -37.6477009850688 | etot = -29.0252563660028 -517000 ekin = 3.53729866959058 | erot = 4.95641997732805 | epot = -37.644541266991 | etot = -29.1508226200724 -518000 ekin = 3.55341695305132 | erot = 4.57512459674255 | epot = -37.6532745224308 | etot = -29.5247329726369 -519000 ekin = 3.61605940841961 | erot = 4.59842321288953 | epot = -37.7181887221249 | etot = -29.5037061008158 -520000 ekin = 3.66003580736891 | erot = 4.52802897844102 | epot = -37.8184531846622 | etot = -29.6303883988522 -521000 ekin = 3.57990395101936 | erot = 4.58686564429493 | epot = -37.9529160430901 | etot = -29.7861464477758 -522000 ekin = 3.58721017350486 | erot = 4.78958389957763 | epot = -38.1056938634054 | etot = -29.7288997903229 -523000 ekin = 3.7455374895203 | erot = 4.82242710318161 | epot = -38.249659851946 | etot = -29.6816952592441 -524000 ekin = 3.8367296557297 | erot = 5.1780625575552 | epot = -38.3420385705452 | etot = -29.3272463572603 -525000 ekin = 3.97426514986068 | erot = 5.13820563111667 | epot = -38.4306455211977 | etot = -29.3181747402204 -526000 ekin = 4.03278131821146 | erot = 4.61480893928539 | epot = -38.4813375347266 | etot = -29.8337472772297 -527000 ekin = 4.15303805139338 | erot = 4.03339974605316 | epot = -38.4813261438674 | etot = -30.2948883464208 -528000 ekin = 4.34085606106391 | erot = 3.63416049936053 | epot = -38.4621670653444 | etot = -30.4871505049199 -529000 ekin = 4.53593485604709 | erot = 3.72087643644205 | epot = -38.417501648356 | etot = -30.1606903558668 -530000 ekin = 4.65836945322522 | erot = 3.5823370050418 | epot = -38.3861765288022 | etot = -30.1454700705352 -531000 ekin = 4.66519878740321 | erot = 3.41094947734083 | epot = -38.3363103504893 | etot = -30.2601620857452 -532000 ekin = 4.80041164317288 | erot = 3.07760528500134 | epot = -38.3151265786575 | etot = -30.4371096504833 -533000 ekin = 4.73180745168947 | erot = 3.06230961560373 | epot = -38.3468719461379 | etot = -30.5527548788447 -534000 ekin = 4.77276572097011 | erot = 3.01963113043202 | epot = -38.4024212860539 | etot = -30.6100244346518 -535000 ekin = 4.8569392849477 | erot = 2.8251632104728 | epot = -38.5360450508862 | etot = -30.8539425554657 -536000 ekin = 4.79265980947574 | erot = 2.9077544610961 | epot = -38.7196748122557 | etot = -31.0192605416839 -537000 ekin = 4.8694795576244 | erot = 3.00989555981224 | epot = -38.9076102830991 | etot = -31.0282351656625 -538000 ekin = 5.00269155741106 | erot = 2.68875189029915 | epot = -39.0473675460742 | etot = -31.355924098364 -539000 ekin = 4.98226102919721 | erot = 2.9218882996937 | epot = -39.1655668480607 | etot = -31.2614175191698 -540000 ekin = 4.99147016878216 | erot = 3.35574385805742 | epot = -39.2596960810253 | etot = -30.9124820541857 -541000 ekin = 4.92725844601428 | erot = 3.28345034188319 | epot = -39.3089899760125 | etot = -31.098281188115 -542000 ekin = 4.77242859226853 | erot = 3.31966912230266 | epot = -39.290238437105 | etot = -31.1981407225338 -543000 ekin = 4.65726157165086 | erot = 3.56099171692955 | epot = -39.1715392323124 | etot = -30.953285943732 -544000 ekin = 4.75158561074879 | erot = 2.98586301386342 | epot = -39.0000211966266 | etot = -31.2625725720144 -545000 ekin = 4.71389651780192 | erot = 3.29722166624284 | epot = -38.8124009343347 | etot = -30.8012827502899 -546000 ekin = 4.59452933616211 | erot = 3.65785900566388 | epot = -38.6597531372896 | etot = -30.4073647954636 -547000 ekin = 4.49485576841329 | erot = 3.52227156689634 | epot = -38.5261493757316 | etot = -30.509022040422 -548000 ekin = 4.49472654055115 | erot = 3.49603087938245 | epot = -38.3944216290951 | etot = -30.4036642091615 -549000 ekin = 4.39213180937533 | erot = 3.53228763855232 | epot = -38.2774675964384 | etot = -30.3530481485108 -550000 ekin = 4.36283999146784 | erot = 3.78776441036084 | epot = -38.2051317998107 | etot = -30.054527397982 -551000 ekin = 4.3226010693823 | erot = 4.01133252124201 | epot = -38.1611801425645 | etot = -29.8272465519402 -552000 ekin = 4.33183515664561 | erot = 3.98124414472576 | epot = -38.153772138803 | etot = -29.8406928374316 -553000 ekin = 4.30534974680474 | erot = 3.81209066755014 | epot = -38.1803693007097 | etot = -30.0629288863549 -554000 ekin = 4.29335219580314 | erot = 3.80213545963908 | epot = -38.2389597407399 | etot = -30.1434720852977 -555000 ekin = 4.45825549052385 | erot = 4.03672150414325 | epot = -38.3296083261046 | etot = -29.8346313314375 -556000 ekin = 4.63230188756517 | erot = 3.70797489704037 | epot = -38.4795834327921 | etot = -30.1393066481866 -557000 ekin = 4.7062229398582 | erot = 4.51036732636183 | epot = -38.6738842895281 | etot = -29.4572940233081 -558000 ekin = 4.70612532334176 | erot = 4.30314260207011 | epot = -38.9099036274272 | etot = -29.9006357020154 -559000 ekin = 4.85842132468142 | erot = 4.45569884582871 | epot = -39.1571701897087 | etot = -29.8430500191985 -560000 ekin = 4.84667483493842 | erot = 4.2909749826346 | epot = -39.3692871188964 | etot = -30.2316373013234 -561000 ekin = 4.93080663772512 | erot = 4.40964672372479 | epot = -39.5560309503474 | etot = -30.2155775888975 -562000 ekin = 5.02786763240469 | erot = 4.09895267825196 | epot = -39.6620959555469 | etot = -30.5352756448903 -563000 ekin = 4.99483060861824 | erot = 4.56393029644404 | epot = -39.7001867829015 | etot = -30.1414258778392 -564000 ekin = 5.01292656089529 | erot = 4.4655943412775 | epot = -39.6969046345991 | etot = -30.2183837324263 -565000 ekin = 4.97924499589803 | erot = 4.56764102867122 | epot = -39.6391307119519 | etot = -30.0922446873826 -566000 ekin = 4.80472039327358 | erot = 4.49618530358116 | epot = -39.532014253858 | etot = -30.2311085570032 -567000 ekin = 4.59721417192401 | erot = 4.44898156673777 | epot = -39.3835091139999 | etot = -30.3373133753381 -568000 ekin = 4.59948947791994 | erot = 4.21619266891999 | epot = -39.1697350851653 | etot = -30.3540529383253 -569000 ekin = 4.46814520025952 | erot = 4.13625120915546 | epot = -38.9496016480665 | etot = -30.3452052386516 -570000 ekin = 4.63380574109383 | erot = 3.97471689520422 | epot = -38.718728428018 | etot = -30.11020579172 -571000 ekin = 4.51646555902281 | erot = 3.77943581302556 | epot = -38.5103017941538 | etot = -30.2144004221055 -572000 ekin = 4.44329973394602 | erot = 3.7381898397106 | epot = -38.3513010282128 | etot = -30.1698114545561 -573000 ekin = 4.48138796166295 | erot = 3.67030746094246 | epot = -38.2531080005807 | etot = -30.1014125779753 -574000 ekin = 4.57372019352159 | erot = 3.64740839838101 | epot = -38.156347689767 | etot = -29.9352190978644 -575000 ekin = 4.81962720354415 | erot = 3.58128135189807 | epot = -38.0780197446127 | etot = -29.6771111891705 -576000 ekin = 4.78739960955874 | erot = 3.16941649568994 | epot = -38.0548669136925 | etot = -30.0980508084438 -577000 ekin = 4.89624137933428 | erot = 3.37301453509229 | epot = -38.0581159208699 | etot = -29.7888600064433 -578000 ekin = 4.89993171052244 | erot = 3.39468878464203 | epot = -38.0636938795354 | etot = -29.7690733843709 -579000 ekin = 4.83297661461352 | erot = 3.08572772864731 | epot = -38.0577731810634 | etot = -30.1390688378025 -580000 ekin = 4.77298411404082 | erot = 3.09603380464132 | epot = -38.0675771405193 | etot = -30.1985592218372 -581000 ekin = 4.96965435170517 | erot = 3.06610493080443 | epot = -38.0894896837321 | etot = -30.0537304012225 -582000 ekin = 4.84477580774046 | erot = 2.99273203470777 | epot = -38.1047755328766 | etot = -30.2672676904284 -583000 ekin = 4.80184612340906 | erot = 2.99121545039794 | epot = -38.0992283827671 | etot = -30.3061668089601 -584000 ekin = 4.73999729115027 | erot = 2.9582025614058 | epot = -38.1193022601923 | etot = -30.4211024076362 -585000 ekin = 4.62963491646133 | erot = 2.99096158598542 | epot = -38.1514766562945 | etot = -30.5308801538478 -586000 ekin = 4.66196804986657 | erot = 3.11428540249501 | epot = -38.1645218154685 | etot = -30.3882683631069 -587000 ekin = 4.58446438916316 | erot = 3.26198289890957 | epot = -38.1451310277746 | etot = -30.2986837397019 -588000 ekin = 4.59050554157097 | erot = 3.37267542289071 | epot = -38.0928945920966 | etot = -30.1297136276349 -589000 ekin = 4.52148456601106 | erot = 3.20426810396368 | epot = -38.0431145518049 | etot = -30.3173618818302 -590000 ekin = 4.54292012494665 | erot = 3.1746661588888 | epot = -37.9867331121618 | etot = -30.2691468283263 -591000 ekin = 4.4671534284139 | erot = 3.30654504351679 | epot = -37.9702893954325 | etot = -30.1965909235018 -592000 ekin = 4.47491098921977 | erot = 3.6999642514397 | epot = -37.96964005272 | etot = -29.7947648120605 -593000 ekin = 4.43506697623668 | erot = 3.70250326611378 | epot = -37.982672172325 | etot = -29.8451019299745 -594000 ekin = 4.36908136306916 | erot = 3.59308231950687 | epot = -38.0038521048194 | etot = -30.0416884222434 -595000 ekin = 4.30615021787055 | erot = 3.60547435881484 | epot = -38.0517692624258 | etot = -30.1401446857404 -596000 ekin = 4.27538703974133 | erot = 3.70718417029039 | epot = -38.1072020006231 | etot = -30.1246307905914 -597000 ekin = 4.09427835861054 | erot = 3.56040857145023 | epot = -38.1368054718234 | etot = -30.4821185417626 -598000 ekin = 4.06772969179115 | erot = 3.98852753231075 | epot = -38.1357675039156 | etot = -30.0795102798136 -599000 ekin = 4.05823661502991 | erot = 3.99204411848296 | epot = -38.094416622612 | etot = -30.0441358890991 -600000 ekin = 4.14000207696602 | erot = 3.69886036268676 | epot = -38.0126500071596 | etot = -30.1737875675068 -601000 ekin = 4.14331251606218 | erot = 4.02012885446818 | epot = -37.8931408419344 | etot = -29.729699471404 -602000 ekin = 4.19175322865721 | erot = 3.63789752518648 | epot = -37.7768382304761 | etot = -29.9471874766324 -603000 ekin = 4.17700109074315 | erot = 3.33190102346874 | epot = -37.6571796612342 | etot = -30.1482775470223 -604000 ekin = 4.32110078335241 | erot = 3.37359972635297 | epot = -37.5481087406157 | etot = -29.8534082309104 -605000 ekin = 4.40829637956699 | erot = 3.12232098209626 | epot = -37.4615593717344 | etot = -29.9309420100712 -606000 ekin = 4.50978571460473 | erot = 2.82903034171764 | epot = -37.4107566252709 | etot = -30.0719405689485 -607000 ekin = 4.64775510562435 | erot = 2.72855004395394 | epot = -37.3886864614939 | etot = -30.0123813119156 -608000 ekin = 4.62515883775204 | erot = 2.6927668656574 | epot = -37.3472679127842 | etot = -30.0293422093748 -609000 ekin = 4.58072072733859 | erot = 2.72618151323749 | epot = -37.3211555189931 | etot = -30.014253278417 -610000 ekin = 4.37064710749547 | erot = 2.94205446769451 | epot = -37.3313655411416 | etot = -30.0186639659516 -611000 ekin = 4.30243700562367 | erot = 2.94482669781559 | epot = -37.3282578261779 | etot = -30.0809941227387 -612000 ekin = 4.37982748485341 | erot = 2.81236690797527 | epot = -37.3366791579242 | etot = -30.1444847650955 -613000 ekin = 4.49298433908211 | erot = 2.94229499226113 | epot = -37.3617837170398 | etot = -29.9265043856965 -614000 ekin = 4.63192250195887 | erot = 2.81948937077722 | epot = -37.3623397651557 | etot = -29.9109278924196 -615000 ekin = 4.56431794922691 | erot = 3.0411203817408 | epot = -37.3360474756729 | etot = -29.7306091447052 -616000 ekin = 4.48538645093135 | erot = 2.98636794618235 | epot = -37.2843360454654 | etot = -29.8125816483517 -617000 ekin = 4.35777724185508 | erot = 3.27046740448594 | epot = -37.2149609045278 | etot = -29.5867162581867 -618000 ekin = 4.13929013645531 | erot = 3.31436963968888 | epot = -37.1380165806133 | etot = -29.6843568044691 -619000 ekin = 3.99812604761941 | erot = 3.8069721617963 | epot = -37.0480074184854 | etot = -29.2429092090697 -620000 ekin = 3.75775297824748 | erot = 3.88935078371488 | epot = -37.0016709350121 | etot = -29.3545671730497 -621000 ekin = 3.59837254942665 | erot = 3.36974253347194 | epot = -36.9571399968608 | etot = -29.9890249139622 -622000 ekin = 3.52853751549672 | erot = 3.57220920853455 | epot = -36.9826672270776 | etot = -29.8819205030464 -623000 ekin = 3.44776927445729 | erot = 3.68524482792421 | epot = -37.0520182183616 | etot = -29.9190041159801 -624000 ekin = 3.42459051153803 | erot = 4.10039189185604 | epot = -37.1561365046956 | etot = -29.6311541013015 -625000 ekin = 3.47427533928245 | erot = 4.19316198399255 | epot = -37.3128709391508 | etot = -29.6454336158758 -626000 ekin = 3.59243588690058 | erot = 4.25331544595912 | epot = -37.4538356021372 | etot = -29.6080842692775 -627000 ekin = 3.65834270574552 | erot = 3.84587709669878 | epot = -37.5560189371567 | etot = -30.0517991347124 -628000 ekin = 3.70047562334578 | erot = 3.68821102783487 | epot = -37.6346624168371 | etot = -30.2459757656565 -629000 ekin = 3.73516234913433 | erot = 3.92476956261683 | epot = -37.7008434862915 | etot = -30.0409115745404 -630000 ekin = 3.81181204861757 | erot = 3.95913149926755 | epot = -37.7335643601767 | etot = -29.9626208122916 -631000 ekin = 3.81645534702376 | erot = 3.13210702566919 | epot = -37.7706097068457 | etot = -30.8220473341528 -632000 ekin = 3.83367227377587 | erot = 3.16390787891897 | epot = -37.8179976528052 | etot = -30.8204175001103 -633000 ekin = 3.78875173101134 | erot = 3.28627876080406 | epot = -37.8551980571895 | etot = -30.7801675653741 -634000 ekin = 3.6443572434567 | erot = 3.54689069849334 | epot = -37.8771184407041 | etot = -30.685870498754 -635000 ekin = 3.74927918910692 | erot = 3.50067245026003 | epot = -37.9120332365851 | etot = -30.6620815972182 -636000 ekin = 3.89890106913058 | erot = 3.51590480850449 | epot = -37.9883703460315 | etot = -30.5735644683965 -637000 ekin = 3.98051852239103 | erot = 3.51683885701818 | epot = -38.1188954220066 | etot = -30.6215380425974 -638000 ekin = 4.18679252196735 | erot = 3.48363716100453 | epot = -38.3003898519918 | etot = -30.6299601690199 -639000 ekin = 4.29259370089823 | erot = 3.44532403016775 | epot = -38.5009165327291 | etot = -30.7629988016631 -640000 ekin = 4.33862023546748 | erot = 3.6140024868752 | epot = -38.6627935284696 | etot = -30.710170806127 -641000 ekin = 4.47895119284614 | erot = 3.60758277909088 | epot = -38.7986251266555 | etot = -30.7120911547185 -642000 ekin = 4.48471207018753 | erot = 3.75535910837188 | epot = -38.8636204148756 | etot = -30.6235492363162 -643000 ekin = 4.56445558617346 | erot = 3.81552004634158 | epot = -38.8645537025221 | etot = -30.4845780700071 -644000 ekin = 4.7332947847572 | erot = 3.55885168491642 | epot = -38.8054956282287 | etot = -30.5133491585551 -645000 ekin = 4.69129439625574 | erot = 3.28200064721723 | epot = -38.7015474297407 | etot = -30.7282523862678 -646000 ekin = 4.5858300200132 | erot = 3.40859569463286 | epot = -38.5478616511676 | etot = -30.5534359365215 -647000 ekin = 4.60741071742922 | erot = 3.38831322436686 | epot = -38.3932861693423 | etot = -30.3975622275462 -648000 ekin = 4.51463144345975 | erot = 3.24274100333129 | epot = -38.2758434893351 | etot = -30.518471042544 -649000 ekin = 4.55491099792928 | erot = 3.31738105307143 | epot = -38.2201110845426 | etot = -30.3478190335419 -650000 ekin = 4.67226589728797 | erot = 3.60950811156238 | epot = -38.2202225605506 | etot = -29.9384485517003 -651000 ekin = 4.60851815831642 | erot = 3.77278937705218 | epot = -38.253633099544 | etot = -29.8723255641754 -652000 ekin = 4.67845920019102 | erot = 3.39376240096224 | epot = -38.2868824175934 | etot = -30.2146608164401 -653000 ekin = 4.66844839257092 | erot = 3.83803199311147 | epot = -38.3235322989533 | etot = -29.8170519132709 -654000 ekin = 4.71048953319322 | erot = 3.48299287365118 | epot = -38.3580887397251 | etot = -30.1646063328807 -655000 ekin = 4.59645355598624 | erot = 3.74782025282036 | epot = -38.4145657066931 | etot = -30.0702918978865 -656000 ekin = 4.75902771581103 | erot = 3.81874385847387 | epot = -38.4693742928372 | etot = -29.8916027185523 -657000 ekin = 4.6466802059304 | erot = 3.66656001060126 | epot = -38.4843211797294 | etot = -30.1710809631977 -658000 ekin = 4.55836001875084 | erot = 3.93329833863017 | epot = -38.4803826070965 | etot = -29.9887242497155 -659000 ekin = 4.55537392119735 | erot = 3.62854716021115 | epot = -38.4363459414659 | etot = -30.2524248600574 -660000 ekin = 4.415513333681 | erot = 3.65395590072885 | epot = -38.3663969488347 | etot = -30.2969277144248 -661000 ekin = 4.32449081576482 | erot = 3.7409091571769 | epot = -38.2884247485437 | etot = -30.223024775602 -662000 ekin = 4.23823124010357 | erot = 3.58833666048794 | epot = -38.1946280661735 | etot = -30.368060165582 -663000 ekin = 4.32618520330365 | erot = 3.71369597709404 | epot = -38.0940311251123 | etot = -30.0541499447146 -664000 ekin = 4.30987713127752 | erot = 3.55193027406448 | epot = -38.0118003167728 | etot = -30.1499929114308 -665000 ekin = 4.32971268964141 | erot = 3.40416985470625 | epot = -37.9630121098135 | etot = -30.2291295654658 -666000 ekin = 4.30397058329246 | erot = 3.24563244836278 | epot = -37.9564459426243 | etot = -30.4068429109691 -667000 ekin = 4.23802718761169 | erot = 3.57923047722669 | epot = -37.9111709997968 | etot = -30.0939133349584 -668000 ekin = 4.17750835985179 | erot = 3.42921371885248 | epot = -37.8409684237743 | etot = -30.23424634507 -669000 ekin = 4.10123021238957 | erot = 3.38759831293404 | epot = -37.7732457913401 | etot = -30.2844172660165 -670000 ekin = 3.96563796265774 | erot = 3.59480187806746 | epot = -37.6965941156385 | etot = -30.1361542749133 -671000 ekin = 3.96406262528475 | erot = 3.64073126780244 | epot = -37.5753442355429 | etot = -29.9705503424557 -672000 ekin = 4.04265318678515 | erot = 3.67979591145804 | epot = -37.4296504342376 | etot = -29.7072013359944 -673000 ekin = 3.99224066234878 | erot = 3.52190422085284 | epot = -37.3047157518842 | etot = -29.7905708686826 -674000 ekin = 3.97681715793541 | erot = 3.75368024393795 | epot = -37.1885781675146 | etot = -29.4580807656412 -675000 ekin = 3.85833621087039 | erot = 3.97050815664598 | epot = -37.1417466549722 | etot = -29.3129022874559 -676000 ekin = 3.77676206895617 | erot = 3.79811590545672 | epot = -37.1253534099229 | etot = -29.55047543551 -677000 ekin = 3.78226586281959 | erot = 3.88942769355395 | epot = -37.138562963627 | etot = -29.4668694072535 -678000 ekin = 3.61579087416923 | erot = 3.83629032138265 | epot = -37.1880190743622 | etot = -29.7359378788103 -679000 ekin = 3.59940694058676 | erot = 3.92320694106409 | epot = -37.2411006365046 | etot = -29.7184867548538 -680000 ekin = 3.59936088858668 | erot = 3.59198808770724 | epot = -37.3103059663064 | etot = -30.1189569900125 -681000 ekin = 3.55068173353926 | erot = 3.62032338399716 | epot = -37.3978871586221 | etot = -30.2268820410857 -682000 ekin = 3.64312616149461 | erot = 3.63220095729225 | epot = -37.4824268307594 | etot = -30.2070997119725 -683000 ekin = 3.59147144886471 | erot = 4.00540882269656 | epot = -37.5784304648839 | etot = -29.9815501933227 -684000 ekin = 3.72558767154378 | erot = 4.43134049971583 | epot = -37.6663536443174 | etot = -29.5094254730578 -685000 ekin = 3.75700113340411 | erot = 4.4205179107468 | epot = -37.7011506850387 | etot = -29.5236316408878 -686000 ekin = 3.68716829673498 | erot = 4.29446170846275 | epot = -37.7134415714992 | etot = -29.7318115663015 -687000 ekin = 3.64818503755745 | erot = 4.53150873331275 | epot = -37.711537143075 | etot = -29.5318433722048 -688000 ekin = 3.65898677055768 | erot = 4.19517143645003 | epot = -37.717932414298 | etot = -29.8637742072903 -689000 ekin = 3.62053492938482 | erot = 4.90634872884688 | epot = -37.7254294906479 | etot = -29.1985458324162 -690000 ekin = 3.66313798116701 | erot = 4.56796147260999 | epot = -37.7316773182822 | etot = -29.5005778645052 -691000 ekin = 3.71240687811142 | erot = 4.32729443264309 | epot = -37.6986701891449 | etot = -29.6589688783904 -692000 ekin = 3.77937222983663 | erot = 4.25209713638369 | epot = -37.6463069321163 | etot = -29.614837565896 -693000 ekin = 3.82528389687004 | erot = 4.44391854020412 | epot = -37.5813521083395 | etot = -29.3121496712654 -694000 ekin = 3.77132757417721 | erot = 4.30342910423483 | epot = -37.529253149734 | etot = -29.4544964713219 -695000 ekin = 3.87816824099576 | erot = 3.61664690986643 | epot = -37.4977174174722 | etot = -30.00290226661 -696000 ekin = 4.03561630547949 | erot = 3.14881777436795 | epot = -37.5165237009965 | etot = -30.3320896211491 -697000 ekin = 4.10221303088943 | erot = 2.74688055821585 | epot = -37.6237315563432 | etot = -30.7746379672379 -698000 ekin = 4.33198843808374 | erot = 2.54448976763407 | epot = -37.8109238872742 | etot = -30.9344456815564 -699000 ekin = 4.45835519306672 | erot = 2.83727562812266 | epot = -38.0765099491825 | etot = -30.7808791279931 -700000 ekin = 4.62566765847138 | erot = 3.20413023616691 | epot = -38.366668680577 | etot = -30.5368707859387 -701000 ekin = 4.7119895804198 | erot = 3.20500762759523 | epot = -38.6531148244762 | etot = -30.7361176164611 -702000 ekin = 4.70320353975511 | erot = 3.49669921722524 | epot = -38.9020142648732 | etot = -30.7021115078929 -703000 ekin = 4.71666592176221 | erot = 3.4360587579244 | epot = -39.0983570180766 | etot = -30.94563233839 -704000 ekin = 4.81119997223628 | erot = 3.68842954975269 | epot = -39.2326154199854 | etot = -30.7329858979964 -705000 ekin = 4.76635995985857 | erot = 4.27225880905617 | epot = -39.3045830193539 | etot = -30.2659642504391 -706000 ekin = 4.61239689007865 | erot = 4.45743851438183 | epot = -39.3303553159894 | etot = -30.2605199115289 -707000 ekin = 4.4339240392442 | erot = 5.00090751066084 | epot = -39.3012148785927 | etot = -29.8663833286877 -708000 ekin = 4.49363980378809 | erot = 4.44827137132344 | epot = -39.185594508632 | etot = -30.2436833335204 -709000 ekin = 4.38087413515997 | erot = 4.33993340714001 | epot = -39.0225667156706 | etot = -30.3017591733706 -710000 ekin = 4.30084034805687 | erot = 4.18416076229502 | epot = -38.8018325665079 | etot = -30.3168314561561 -711000 ekin = 4.16061239283927 | erot = 3.75964607710248 | epot = -38.6119256895404 | etot = -30.6916672195987 -712000 ekin = 4.02785073941563 | erot = 3.9187380855626 | epot = -38.5032151267496 | etot = -30.5566263017714 -713000 ekin = 3.91042694307514 | erot = 4.02474708082432 | epot = -38.4555203424355 | etot = -30.5203463185361 -714000 ekin = 3.91972154955273 | erot = 3.86911398530045 | epot = -38.439191113934 | etot = -30.6503555790808 -715000 ekin = 3.7943288518239 | erot = 3.97493955426896 | epot = -38.464893488298 | etot = -30.6956250822051 -716000 ekin = 3.81379173421822 | erot = 4.12773796628725 | epot = -38.5344978321894 | etot = -30.592968131684 -717000 ekin = 3.81338083287865 | erot = 3.91040514076924 | epot = -38.6119475932714 | etot = -30.8881616196235 -718000 ekin = 3.98031853847212 | erot = 3.63481705596705 | epot = -38.678649410417 | etot = -31.0635138159778 -719000 ekin = 3.8566755406953 | erot = 3.54568346865612 | epot = -38.7335222105701 | etot = -31.3311632012187 -720000 ekin = 3.82130999837905 | erot = 3.12899985812948 | epot = -38.8000481793519 | etot = -31.8497383228434 -721000 ekin = 3.84625676410587 | erot = 3.33090070721984 | epot = -38.8362758074818 | etot = -31.6591183361561 -722000 ekin = 3.79224716661399 | erot = 3.20659617994805 | epot = -38.8301147634646 | etot = -31.8312714169026 -723000 ekin = 3.89270036914645 | erot = 3.09341373486911 | epot = -38.7612142662691 | etot = -31.7751001622535 -724000 ekin = 3.88950015267432 | erot = 3.37593260372107 | epot = -38.6472208331853 | etot = -31.3817880767899 -725000 ekin = 3.89253643906726 | erot = 3.36325650610821 | epot = -38.527809683643 | etot = -31.2720167384676 -726000 ekin = 3.77207579735124 | erot = 2.95762270097696 | epot = -38.4162496849588 | etot = -31.6865511866306 -727000 ekin = 3.85895083084016 | erot = 2.69741467226748 | epot = -38.3204112624909 | etot = -31.7640457593832 -728000 ekin = 3.95735248448051 | erot = 2.9120886214562 | epot = -38.2269317498774 | etot = -31.3574906439407 -729000 ekin = 3.90116579496187 | erot = 2.68023881807523 | epot = -38.1837112825913 | etot = -31.6023066695542 -730000 ekin = 3.96318220229617 | erot = 2.52640600275291 | epot = -38.1795006550048 | etot = -31.6899124499557 -731000 ekin = 4.07163559325283 | erot = 2.47524828245717 | epot = -38.2208467965997 | etot = -31.6739629208897 -732000 ekin = 4.1233129439478 | erot = 2.59059397612226 | epot = -38.2785246774241 | etot = -31.5646177573541 -733000 ekin = 4.18393032106832 | erot = 2.72580269413636 | epot = -38.392037043721 | etot = -31.4823040285164 -734000 ekin = 4.22490204001114 | erot = 2.94025387724302 | epot = -38.5577268408556 | etot = -31.3925709236014 -735000 ekin = 4.4163790638128 | erot = 3.39000978300276 | epot = -38.7520895879279 | etot = -30.9457007411124 -736000 ekin = 4.52682105512921 | erot = 3.59384799521515 | epot = -39.0007836443239 | etot = -30.8801145939796 -737000 ekin = 4.54518518822971 | erot = 3.67606395235669 | epot = -39.2431861398733 | etot = -31.0219369992869 -738000 ekin = 4.5411183131362 | erot = 3.87514152367616 | epot = -39.4689573474102 | etot = -31.0526975105979 -739000 ekin = 4.64515651334117 | erot = 3.86830954896682 | epot = -39.6580785017876 | etot = -31.1446124394797 -740000 ekin = 4.59721923359587 | erot = 3.83234514918728 | epot = -39.7800787241316 | etot = -31.3505143413485 -741000 ekin = 4.54920694202201 | erot = 4.22873772666809 | epot = -39.8001498706487 | etot = -31.0222052019586 -742000 ekin = 4.37775553859947 | erot = 4.07719515191239 | epot = -39.77291919362 | etot = -31.3179685031081 -743000 ekin = 4.3556617165814 | erot = 4.19296317409631 | epot = -39.6826493457459 | etot = -31.1340244550682 -744000 ekin = 4.35520781857197 | erot = 4.03027041959899 | epot = -39.5404877687078 | etot = -31.1550095305368 -745000 ekin = 4.22626887984311 | erot = 3.36034348052822 | epot = -39.3612863690873 | etot = -31.774674008716 -746000 ekin = 4.11995949308898 | erot = 3.27667360498754 | epot = -39.1619120183871 | etot = -31.7652789203105 -747000 ekin = 4.14400839200212 | erot = 3.30199438470027 | epot = -38.9827326721257 | etot = -31.5367298954233 -748000 ekin = 4.00468940718665 | erot = 3.14625781984354 | epot = -38.8044398216776 | etot = -31.6534925946474 -749000 ekin = 3.84115389861437 | erot = 2.95470003366606 | epot = -38.6687005011651 | etot = -31.8728465688847 -750000 ekin = 3.65410258827795 | erot = 3.15459365563751 | epot = -38.5278602215806 | etot = -31.7191639776652 -751000 ekin = 3.60281847230518 | erot = 3.24631581000329 | epot = -38.4153933025752 | etot = -31.5662590202667 -752000 ekin = 3.67731217795101 | erot = 3.63832283099237 | epot = -38.3028409880035 | etot = -30.9872059790601 -753000 ekin = 3.57605485188786 | erot = 3.26752665173283 | epot = -38.216520404161 | etot = -31.3729389005403 -754000 ekin = 3.69078656100566 | erot = 3.07077330953207 | epot = -38.2008529421059 | etot = -31.4392930715682 -755000 ekin = 3.70168225637966 | erot = 2.97263399944781 | epot = -38.2287093031121 | etot = -31.5543930472847 -756000 ekin = 3.82302121275981 | erot = 3.17826892909081 | epot = -38.3101319992817 | etot = -31.3088418574311 -757000 ekin = 3.92969183976116 | erot = 3.24398381681727 | epot = -38.4229976799529 | etot = -31.2493220233745 -758000 ekin = 4.01825553851179 | erot = 2.96087889455689 | epot = -38.5603809302419 | etot = -31.5812464971732 -759000 ekin = 4.1594567829226 | erot = 3.31368855914157 | epot = -38.7240687265499 | etot = -31.2509233844857 -760000 ekin = 4.08337495041284 | erot = 3.28527114059582 | epot = -38.8845645171708 | etot = -31.5159184261621 -761000 ekin = 4.14862342701 | erot = 3.30586771709934 | epot = -38.9896780479041 | etot = -31.5351869037948 -762000 ekin = 4.15291891523588 | erot = 3.21578962032623 | epot = -39.035237071941 | etot = -31.6665285363789 -763000 ekin = 4.13154828483799 | erot = 3.3900507889809 | epot = -39.064056495297 | etot = -31.5424574214781 -764000 ekin = 4.11445022984107 | erot = 3.78778087021378 | epot = -39.0692483990251 | etot = -31.1670172989703 -765000 ekin = 3.94937442988368 | erot = 3.99811330721235 | epot = -39.0421921917086 | etot = -31.0947044546125 -766000 ekin = 3.90772961551848 | erot = 4.01819621928476 | epot = -38.9772379154489 | etot = -31.0513120806457 -767000 ekin = 3.91865092379335 | erot = 3.66675942927309 | epot = -38.8570109636997 | etot = -31.2716006106333 -768000 ekin = 3.90455829915367 | erot = 3.57997769181359 | epot = -38.7106990781798 | etot = -31.2261630872126 -769000 ekin = 3.79614462627832 | erot = 3.72589479531036 | epot = -38.5987325117514 | etot = -31.0766930901627 -770000 ekin = 3.84943042371494 | erot = 3.41445940258821 | epot = -38.5242031402412 | etot = -31.260313313938 -771000 ekin = 3.93726861106208 | erot = 3.22573743650862 | epot = -38.4470290210347 | etot = -31.284022973464 -772000 ekin = 3.96999789478603 | erot = 3.15006319998271 | epot = -38.4433830504299 | etot = -31.3233219556611 -773000 ekin = 3.90264203603896 | erot = 3.08286085672449 | epot = -38.4596433115511 | etot = -31.4741404187877 -774000 ekin = 4.05136357587228 | erot = 3.17001936426352 | epot = -38.5137422973686 | etot = -31.2923593572328 -775000 ekin = 4.11418642080986 | erot = 3.81754399179959 | epot = -38.5927804349064 | etot = -30.661050022297 -776000 ekin = 4.11481050991311 | erot = 3.55328099460662 | epot = -38.6754580889835 | etot = -31.0073665844638 -777000 ekin = 4.23423405077874 | erot = 3.581082705526 | epot = -38.7616944176802 | etot = -30.9463776613754 -778000 ekin = 4.22244262963935 | erot = 3.64411855451435 | epot = -38.8420321429421 | etot = -30.9754709587884 -779000 ekin = 4.20492205038599 | erot = 3.89270804286641 | epot = -38.9009656289589 | etot = -30.8033355357065 -780000 ekin = 4.19457435208215 | erot = 3.98994130977104 | epot = -38.9050369874365 | etot = -30.7205213255833 -781000 ekin = 4.33837315790481 | erot = 3.45852422770952 | epot = -38.858660577552 | etot = -31.0617631919377 -782000 ekin = 4.36357496915256 | erot = 3.10010011432264 | epot = -38.7868584055569 | etot = -31.3231833220817 -783000 ekin = 4.42162598039043 | erot = 3.42028138737015 | epot = -38.7233668668894 | etot = -30.8814594991289 -784000 ekin = 4.52915280589042 | erot = 3.46746509226011 | epot = -38.6388342149203 | etot = -30.6422163167698 -785000 ekin = 4.55159402138248 | erot = 3.36141401661284 | epot = -38.5160993571772 | etot = -30.6030913191819 -786000 ekin = 4.4107707826177 | erot = 3.55728141641266 | epot = -38.3921286555455 | etot = -30.4240764565152 -787000 ekin = 4.54739828665105 | erot = 3.81681111076945 | epot = -38.2843232861691 | etot = -29.9201138887486 -788000 ekin = 4.51350891647147 | erot = 3.90594890385671 | epot = -38.2029645190102 | etot = -29.783506698682 -789000 ekin = 4.41183434492797 | erot = 4.01545730842708 | epot = -38.1545360413067 | etot = -29.7272443879517 -790000 ekin = 4.3621929679848 | erot = 4.38022337925409 | epot = -38.1642768248249 | etot = -29.4218604775861 -791000 ekin = 4.36856935453188 | erot = 4.10044084346352 | epot = -38.22190556061 | etot = -29.7528953626146 -792000 ekin = 4.15750522427246 | erot = 4.31220830506834 | epot = -38.3006248567473 | etot = -29.8309113274065 -793000 ekin = 4.04895474142999 | erot = 4.47406069249712 | epot = -38.4166817679431 | etot = -29.893666334016 -794000 ekin = 4.06782077729039 | erot = 4.5423761591342 | epot = -38.549740398153 | etot = -29.9395434617284 -795000 ekin = 4.13325369560992 | erot = 4.67664308533435 | epot = -38.7140310649861 | etot = -29.9041342840418 -796000 ekin = 4.24810673699366 | erot = 4.55090018691374 | epot = -38.8628377912584 | etot = -30.0638308673509 -797000 ekin = 4.47820483480062 | erot = 4.3710582070195 | epot = -39.0073103741375 | etot = -30.1580473323174 -798000 ekin = 4.41687882033674 | erot = 4.03192844801015 | epot = -39.1717655165837 | etot = -30.7229582482368 -799000 ekin = 4.51272621151671 | erot = 3.80275615695399 | epot = -39.326421036722 | etot = -31.0109386682513 -800000 ekin = 4.55406747540001 | erot = 3.86603589563195 | epot = -39.4550921156883 | etot = -31.0349887446563 -801000 ekin = 4.71425753043944 | erot = 4.19401636489447 | epot = -39.54550685129 | etot = -30.6372329559561 -802000 ekin = 4.73096724901053 | erot = 4.66018334519234 | epot = -39.5972922700863 | etot = -30.2061416758834 -803000 ekin = 4.62379738113316 | erot = 4.84687313016553 | epot = -39.6033097238912 | etot = -30.1326392125925 -804000 ekin = 4.73211781117971 | erot = 4.65405100631757 | epot = -39.5980929919843 | etot = -30.2119241744871 -805000 ekin = 4.74990370273775 | erot = 5.03061291222782 | epot = -39.5694988655322 | etot = -29.7889822505666 -806000 ekin = 4.71376969100982 | erot = 4.52737209746849 | epot = -39.5309941756429 | etot = -30.2898523871646 -807000 ekin = 4.86079475139436 | erot = 4.60056901312775 | epot = -39.4997078348835 | etot = -30.0383440703614 -808000 ekin = 4.80209833525355 | erot = 4.45818548395654 | epot = -39.4704788837952 | etot = -30.2101950645852 -809000 ekin = 4.63770011287829 | erot = 4.50410245159981 | epot = -39.4133092695816 | etot = -30.2715067051035 -810000 ekin = 4.5884562354768 | erot = 4.59839740206875 | epot = -39.3630399165046 | etot = -30.1761862789591 -811000 ekin = 4.49885529137743 | erot = 3.9887801293149 | epot = -39.2630135095319 | etot = -30.7753780888396 -812000 ekin = 4.26896362698773 | erot = 3.78568800845431 | epot = -39.1138584925267 | etot = -31.0592068570847 -813000 ekin = 4.13473287838125 | erot = 3.67097615600868 | epot = -38.9684769118809 | etot = -31.1627678774909 -814000 ekin = 3.94776533151707 | erot = 3.94579982777182 | epot = -38.8393181931019 | etot = -30.945753033813 -815000 ekin = 3.90824876714858 | erot = 4.04132924638676 | epot = -38.7551601823022 | etot = -30.8055821687669 -816000 ekin = 3.78701127768462 | erot = 3.90301930977965 | epot = -38.6978803550943 | etot = -31.00784976763 -817000 ekin = 3.66292511898638 | erot = 3.94682412287947 | epot = -38.6270985077426 | etot = -31.0173492658768 -818000 ekin = 3.57247131276286 | erot = 4.1784329766224 | epot = -38.5581000447573 | etot = -30.807195755372 -819000 ekin = 3.53877880324505 | erot = 4.11647252852256 | epot = -38.470998731369 | etot = -30.8157473996014 -820000 ekin = 3.50671598439872 | erot = 4.2563179936087 | epot = -38.3521077332955 | etot = -30.5890737552881 -821000 ekin = 3.53103431342872 | erot = 3.63219688182932 | epot = -38.2011634572155 | etot = -31.0379322619575 -822000 ekin = 3.51951391759943 | erot = 3.61259288561799 | epot = -38.0560993175181 | etot = -30.9239925143007 -823000 ekin = 3.57671320020567 | erot = 3.17979253207746 | epot = -37.8872361758758 | etot = -31.1307304435927 -824000 ekin = 3.52000952110933 | erot = 3.12347116703119 | epot = -37.7532307820924 | etot = -31.1097500939519 -825000 ekin = 3.58955759313317 | erot = 3.15061432333255 | epot = -37.6359982536735 | etot = -30.8958263372078 -826000 ekin = 3.67361585241127 | erot = 3.02327306669 | epot = -37.5692124634558 | etot = -30.8723235443545 -827000 ekin = 3.81109350736614 | erot = 2.85212407416514 | epot = -37.5611625241688 | etot = -30.8979449426375 -828000 ekin = 3.90531542763314 | erot = 2.81227386436725 | epot = -37.5694328663447 | etot = -30.8518435743443 -829000 ekin = 3.84587100054134 | erot = 2.81493449341339 | epot = -37.6070676030483 | etot = -30.9462621090935 -830000 ekin = 3.92673136944215 | erot = 3.15236191191148 | epot = -37.6537469157601 | etot = -30.5746536344065 -831000 ekin = 3.93921284330496 | erot = 3.06450076609936 | epot = -37.7261731649981 | etot = -30.7224595555938 -832000 ekin = 3.97197612374622 | erot = 3.05649894744995 | epot = -37.8221989970108 | etot = -30.7937239258147 -833000 ekin = 3.93725030890251 | erot = 3.02665836452882 | epot = -37.937171835506 | etot = -30.9732631620747 -834000 ekin = 3.98146697711155 | erot = 3.02136079279364 | epot = -38.0629385880238 | etot = -31.0601108181186 -835000 ekin = 4.05052897985959 | erot = 3.17273406713199 | epot = -38.1835463837721 | etot = -30.9602833367805 -836000 ekin = 4.19040397553803 | erot = 3.26946027032966 | epot = -38.300933644763 | etot = -30.8410693988953 -837000 ekin = 4.23633886579814 | erot = 3.17722972050009 | epot = -38.3895940577245 | etot = -30.9760254714262 -838000 ekin = 4.2979004072249 | erot = 3.15450479842831 | epot = -38.4727069904852 | etot = -31.020301784832 -839000 ekin = 4.1827320503791 | erot = 3.33215565016996 | epot = -38.5543306618494 | etot = -31.0394429613003 -840000 ekin = 4.10684077367706 | erot = 3.38230089969601 | epot = -38.6241675017604 | etot = -31.1350258283873 -841000 ekin = 4.23749853699732 | erot = 4.07451157411686 | epot = -38.6954306161323 | etot = -30.3834205050181 -842000 ekin = 4.21536707994271 | erot = 4.23835126074064 | epot = -38.7619078222529 | etot = -30.3081894815695 -843000 ekin = 4.22215504966707 | erot = 4.35771502414032 | epot = -38.8129398935363 | etot = -30.2330698197289 -844000 ekin = 4.30121627933579 | erot = 4.37450016715715 | epot = -38.8385476120778 | etot = -30.1628311655849 -845000 ekin = 4.21550077214613 | erot = 4.14378307005664 | epot = -38.8237568245828 | etot = -30.4644729823801 -846000 ekin = 4.02238016824688 | erot = 4.51654867802969 | epot = -38.7905889780242 | etot = -30.2516601317477 -847000 ekin = 4.01810256512938 | erot = 4.26125017170757 | epot = -38.7339575587521 | etot = -30.4546048219152 -848000 ekin = 3.96232133970733 | erot = 4.11983424179415 | epot = -38.6313622633388 | etot = -30.5492066818373 -849000 ekin = 3.80836560854392 | erot = 4.28564223418282 | epot = -38.48959631527 | etot = -30.3955884725433 -850000 ekin = 3.69578896780274 | erot = 4.39587758868534 | epot = -38.3525607889923 | etot = -30.2608942325043 -851000 ekin = 3.41959969074419 | erot = 4.26064520104068 | epot = -38.1456854690895 | etot = -30.4654405773046 -852000 ekin = 3.30829887930773 | erot = 3.71835542085462 | epot = -37.9409715149429 | etot = -30.9143172147806 -853000 ekin = 3.35508979255709 | erot = 3.37030184945615 | epot = -37.7900455534541 | etot = -31.0646539114409 -854000 ekin = 3.27022944339444 | erot = 3.34212111159848 | epot = -37.7131840806896 | etot = -31.1008335256967 -855000 ekin = 3.1986122719394 | erot = 3.88856216577092 | epot = -37.6928018165187 | etot = -30.6056273788084 -856000 ekin = 3.06768638261931 | erot = 3.9829801102148 | epot = -37.727010473156 | etot = -30.6763439803219 -857000 ekin = 3.0284945827112 | erot = 3.90128373509548 | epot = -37.7894644617561 | etot = -30.8596861439494 -858000 ekin = 3.01766394874129 | erot = 3.81481515545785 | epot = -37.864155422239 | etot = -31.0316763180398 -859000 ekin = 3.04279727315571 | erot = 3.58850792531729 | epot = -37.9147104139937 | etot = -31.2834052155206 -860000 ekin = 3.12250083122178 | erot = 3.47152341944192 | epot = -37.9805991878281 | etot = -31.3865749371644 -861000 ekin = 3.08661234486258 | erot = 3.19104504877415 | epot = -38.0455048743499 | etot = -31.7678474807132 -862000 ekin = 3.21284829409282 | erot = 3.29871938445951 | epot = -38.0992348440439 | etot = -31.5876671654916 -863000 ekin = 3.30782920492319 | erot = 3.18791577959006 | epot = -38.1747149198293 | etot = -31.6789699353161 -864000 ekin = 3.42420257195633 | erot = 2.92388402618492 | epot = -38.2365375033582 | etot = -31.8884509052169 -865000 ekin = 3.34466551527703 | erot = 3.0972998859353 | epot = -38.301208351407 | etot = -31.8592429501947 -866000 ekin = 3.36174635490682 | erot = 3.3198551234471 | epot = -38.3565233653476 | etot = -31.6749218869937 -867000 ekin = 3.421839196855 | erot = 2.79592217571863 | epot = -38.3877893327294 | etot = -32.1700279601558 -868000 ekin = 3.36274087144654 | erot = 2.53957841641307 | epot = -38.4029375195829 | etot = -32.5006182317233 -869000 ekin = 3.40964507660633 | erot = 2.56691032353925 | epot = -38.36070725069 | etot = -32.3841518505444 -870000 ekin = 3.53716918539255 | erot = 2.78671187381857 | epot = -38.3296120297664 | etot = -32.0057309705553 -871000 ekin = 3.59594316640844 | erot = 2.64188707611858 | epot = -38.2798157408161 | etot = -32.0419854982891 -872000 ekin = 3.50734679867103 | erot = 2.53533702817681 | epot = -38.2086073023315 | etot = -32.1659234754836 -873000 ekin = 3.4916725837923 | erot = 2.78144827221659 | epot = -38.1271407877643 | etot = -31.8540199317554 -874000 ekin = 3.51303146719815 | erot = 2.71312702979827 | epot = -38.0371921369836 | etot = -31.8110336399872 -875000 ekin = 3.48945347772522 | erot = 2.94850163157192 | epot = -37.9788388329101 | etot = -31.540883723613 -876000 ekin = 3.56075870692742 | erot = 3.00511197452216 | epot = -37.9138095080296 | etot = -31.34793882658 -877000 ekin = 3.47758786865161 | erot = 3.1639084633419 | epot = -37.8677942057125 | etot = -31.226297873719 -878000 ekin = 3.30311825505464 | erot = 3.03452838302456 | epot = -37.8643582436494 | etot = -31.5267116055702 -879000 ekin = 3.24374156245722 | erot = 3.40785973601244 | epot = -37.8934655456587 | etot = -31.241864247189 -880000 ekin = 3.37573093292728 | erot = 3.29280897525387 | epot = -37.94427513544 | etot = -31.2757352272588 -881000 ekin = 3.39840544569008 | erot = 3.5585281271734 | epot = -38.000888118187 | etot = -31.0439545453235 -882000 ekin = 3.58967670735277 | erot = 3.3599507497553 | epot = -38.026551897189 | etot = -31.0769244400809 -883000 ekin = 3.50982611331089 | erot = 2.96694324238043 | epot = -38.0094926569536 | etot = -31.5327233012623 -884000 ekin = 3.40446481075003 | erot = 3.29501620823909 | epot = -37.9974315131722 | etot = -31.2979504941831 -885000 ekin = 3.35965929451984 | erot = 3.11716654513079 | epot = -38.0104898466533 | etot = -31.5336640070026 -886000 ekin = 3.4398820879568 | erot = 3.03035945423277 | epot = -38.0693633346149 | etot = -31.5991217924253 -887000 ekin = 3.45628684947257 | erot = 3.13318789403751 | epot = -38.1677034351609 | etot = -31.5782286916509 -888000 ekin = 3.56219309594464 | erot = 3.51843891461384 | epot = -38.2809194479114 | etot = -31.2002874373529 -889000 ekin = 3.66415644518222 | erot = 4.27546474777851 | epot = -38.4171028829354 | etot = -30.4774816899746 -890000 ekin = 3.59199164776021 | erot = 4.54716655442229 | epot = -38.5531146541751 | etot = -30.4139564519926 -891000 ekin = 3.48698350789935 | erot = 4.75701182525661 | epot = -38.6580895919219 | etot = -30.414094258766 -892000 ekin = 3.5156285575795 | erot = 4.92508483334396 | epot = -38.7362622656564 | etot = -30.295548874733 -893000 ekin = 3.47661113338826 | erot = 5.21569244219348 | epot = -38.7939526432619 | etot = -30.1016490676802 -894000 ekin = 3.33377890272878 | erot = 5.32415823975917 | epot = -38.7809839614902 | etot = -30.1230468190022 -895000 ekin = 3.43478318369595 | erot = 5.41005154361594 | epot = -38.7354883491901 | etot = -29.8906536218782 -896000 ekin = 3.35681124753247 | erot = 5.27612600451783 | epot = -38.6441447733837 | etot = -30.0112075213334 -897000 ekin = 3.28668538949691 | erot = 5.17803324766006 | epot = -38.5248966927269 | etot = -30.0601780555699 -898000 ekin = 3.28286469703046 | erot = 5.1387437476849 | epot = -38.3749221439183 | etot = -29.9533136992029 -899000 ekin = 3.28106900834727 | erot = 5.02377463132161 | epot = -38.2159550339516 | etot = -29.9111113942827 -900000 ekin = 3.2375487758962 | erot = 4.74128859066627 | epot = -38.0678968923378 | etot = -30.0890595257754 -901000 ekin = 3.13978298302567 | erot = 4.32431292426646 | epot = -37.9137652588161 | etot = -30.449669351524 -902000 ekin = 3.14110495369396 | erot = 3.63711917032585 | epot = -37.7967183247471 | etot = -31.0184942007273 -903000 ekin = 3.11835106948985 | erot = 3.58358384011855 | epot = -37.7069569192994 | etot = -31.005022009691 -904000 ekin = 3.07376219479306 | erot = 3.52931006844845 | epot = -37.659746760624 | etot = -31.0566744973825 -905000 ekin = 3.06812362454382 | erot = 3.78913234205786 | epot = -37.6633180135035 | etot = -30.8060620469019 -906000 ekin = 3.16118254583051 | erot = 3.68210315785587 | epot = -37.7114125889236 | etot = -30.8681268852372 -907000 ekin = 3.05937736690029 | erot = 3.63166351278053 | epot = -37.8094278488434 | etot = -31.1183869691625 -908000 ekin = 3.20197665753497 | erot = 3.64411333350696 | epot = -37.8953945586469 | etot = -31.049304567605 -909000 ekin = 3.13419888287821 | erot = 3.44894287146556 | epot = -37.9553359165691 | etot = -31.3721941622254 -910000 ekin = 3.20114546563037 | erot = 3.42446813676887 | epot = -38.0249179476088 | etot = -31.3993043452096 -911000 ekin = 3.18332024249094 | erot = 3.30496399638702 | epot = -38.1090485606 | etot = -31.620764321722 -912000 ekin = 3.26276595850353 | erot = 3.24471741353574 | epot = -38.2096715613879 | etot = -31.7021881893487 -913000 ekin = 3.26815619138256 | erot = 3.26266624315757 | epot = -38.3821519588595 | etot = -31.8513295243194 -914000 ekin = 3.35412635067739 | erot = 3.33562334375849 | epot = -38.6092123987843 | etot = -31.9194627043485 -915000 ekin = 3.50776663391044 | erot = 3.60910336634357 | epot = -38.8009254120373 | etot = -31.6840554117832 -916000 ekin = 3.52773139010892 | erot = 3.4674530941274 | epot = -38.9707688836107 | etot = -31.9755843993744 -917000 ekin = 3.59076210165245 | erot = 3.4117857351299 | epot = -39.0925719913729 | etot = -32.0900241545906 -918000 ekin = 3.7045685353762 | erot = 3.18226166796498 | epot = -39.1781408185662 | etot = -32.291310615225 -919000 ekin = 3.7803778042616 | erot = 3.08638967761954 | epot = -39.2569196438482 | etot = -32.3901521619671 -920000 ekin = 3.91060781137672 | erot = 3.28711158692169 | epot = -39.3298863351684 | etot = -32.13216693687 -921000 ekin = 3.94747979949415 | erot = 3.453377720589 | epot = -39.3932618134519 | etot = -31.9924042933687 -922000 ekin = 3.94814734356937 | erot = 3.67117615571543 | epot = -39.442934644951 | etot = -31.8236111456662 -923000 ekin = 3.96148195878582 | erot = 4.16418425189008 | epot = -39.4697891977422 | etot = -31.3441229870663 -924000 ekin = 3.93156231463918 | erot = 4.23364521862781 | epot = -39.4747062603531 | etot = -31.3094987270862 -925000 ekin = 3.98364691406514 | erot = 4.37102519058194 | epot = -39.455954311955 | etot = -31.1012822073079 -926000 ekin = 3.9016583484788 | erot = 4.53983917650241 | epot = -39.3838686479858 | etot = -30.9423711230046 -927000 ekin = 3.86159556963871 | erot = 4.93409467569021 | epot = -39.300982283531 | etot = -30.505292038202 -928000 ekin = 3.88113409255633 | erot = 4.54344659797527 | epot = -39.2237313850885 | etot = -30.7991506945569 -929000 ekin = 3.73601262143401 | erot = 4.54159517313976 | epot = -39.0907845737874 | etot = -30.8131767792137 -930000 ekin = 3.62890283946134 | erot = 4.23223960576951 | epot = -38.9310668930158 | etot = -31.0699244477849 -931000 ekin = 3.51130978751943 | erot = 3.75580234575066 | epot = -38.7496742883208 | etot = -31.4825621550507 -932000 ekin = 3.4360478582471 | erot = 3.85916877458121 | epot = -38.6047820584061 | etot = -31.3095654255778 -933000 ekin = 3.34945134482961 | erot = 4.10711762351075 | epot = -38.510851150919 | etot = -31.0542821825786 -934000 ekin = 3.25407370525944 | erot = 4.02198516513935 | epot = -38.4343657155247 | etot = -31.1583068451259 -935000 ekin = 3.15706754617314 | erot = 3.94213624960975 | epot = -38.3842418910869 | etot = -31.285038095304 -936000 ekin = 3.00555649828169 | erot = 4.41385590541793 | epot = -38.3669049397814 | etot = -30.9474925360818 -937000 ekin = 2.92065396617303 | erot = 4.74523400801327 | epot = -38.3453538388337 | etot = -30.6794658646474 -938000 ekin = 2.97141948473083 | erot = 4.76974809222715 | epot = -38.3344331957964 | etot = -30.5932656188384 -939000 ekin = 2.94512706992735 | erot = 4.54496818954263 | epot = -38.3244620131105 | etot = -30.8343667536406 -940000 ekin = 2.88288211336416 | erot = 4.33037795313973 | epot = -38.3226244406597 | etot = -31.1093643741558 -941000 ekin = 3.07298949733874 | erot = 4.38312166999019 | epot = -38.3472582821343 | etot = -30.8911471148054 -942000 ekin = 3.09399973822823 | erot = 4.23262521183808 | epot = -38.3627707290365 | etot = -31.0361457789702 -943000 ekin = 3.06928348074207 | erot = 4.29810120769338 | epot = -38.3654861580835 | etot = -30.998101469648 -944000 ekin = 3.05361136554805 | erot = 4.57752136432057 | epot = -38.3891229370224 | etot = -30.7579902071538 -945000 ekin = 3.10532952733951 | erot = 4.63116672909514 | epot = -38.4481824906829 | etot = -30.7116862342482 -946000 ekin = 3.22536073155712 | erot = 4.97756078019748 | epot = -38.5304457687249 | etot = -30.3275242569703 -947000 ekin = 3.22481791886517 | erot = 4.85505897631128 | epot = -38.6306947506546 | etot = -30.5508178554781 -948000 ekin = 3.31258286730503 | erot = 4.40885070504342 | epot = -38.7111926164559 | etot = -30.9897590441074 -949000 ekin = 3.26341750645552 | erot = 4.50805562556237 | epot = -38.7582101439125 | etot = -30.9867370118946 -950000 ekin = 3.38312193033102 | erot = 4.30600402576272 | epot = -38.7909813747401 | etot = -31.1018554186463 -951000 ekin = 3.45878288324884 | erot = 3.92069079490449 | epot = -38.8089483233273 | etot = -31.429474645174 -952000 ekin = 3.42224118561199 | erot = 3.67807790241712 | epot = -38.8172186174577 | etot = -31.7168995294286 -953000 ekin = 3.53558981303889 | erot = 3.54582501818219 | epot = -38.8376037887753 | etot = -31.7561889575542 -954000 ekin = 3.74081536790968 | erot = 3.65672942044178 | epot = -38.8501623721149 | etot = -31.4526175837635 -955000 ekin = 3.7110092436565 | erot = 3.89616377536048 | epot = -38.8864415175109 | etot = -31.279268498494 -956000 ekin = 3.60593207480456 | erot = 3.60411690044688 | epot = -38.9258365620746 | etot = -31.7157875868231 -957000 ekin = 3.49530434439501 | erot = 3.8241034771156 | epot = -38.9468561104726 | etot = -31.627448288962 -958000 ekin = 3.33025913134867 | erot = 4.09361696296971 | epot = -38.956606995368 | etot = -31.5327309010496 -959000 ekin = 3.2325863398297 | erot = 4.27749630513801 | epot = -38.9400855462526 | etot = -31.4300029012849 -960000 ekin = 3.31834124707632 | erot = 4.19167538415384 | epot = -38.9006120641382 | etot = -31.3905954329081 -961000 ekin = 3.23354004257456 | erot = 4.33974592386025 | epot = -38.8709462828606 | etot = -31.2976603164258 -962000 ekin = 3.27687420354399 | erot = 4.18251799625541 | epot = -38.8399997192037 | etot = -31.3806075194043 -963000 ekin = 3.18724078299274 | erot = 4.29559449615356 | epot = -38.8215635568142 | etot = -31.3387282776679 -964000 ekin = 3.16628639784324 | erot = 4.17929146419551 | epot = -38.8033314242486 | etot = -31.4577535622098 -965000 ekin = 3.23601563824504 | erot = 4.51599223822389 | epot = -38.7801591620084 | etot = -31.0281512855395 -966000 ekin = 3.35348380272829 | erot = 3.96490873951942 | epot = -38.7593006562386 | etot = -31.4409081139909 -967000 ekin = 3.47301428118912 | erot = 3.78771221675284 | epot = -38.7263415939782 | etot = -31.4656150960363 -968000 ekin = 3.51493406845154 | erot = 3.36657292776078 | epot = -38.7364041234232 | etot = -31.8548971272109 -969000 ekin = 3.55243037222546 | erot = 3.66068265314136 | epot = -38.7529284526025 | etot = -31.5398154272357 -970000 ekin = 3.63553363347268 | erot = 3.13050605621035 | epot = -38.8016144947089 | etot = -32.0355748050258 -971000 ekin = 3.62760421034414 | erot = 3.43775684259619 | epot = -38.870763787289 | etot = -31.8054027343487 -972000 ekin = 3.66143241862989 | erot = 4.04556663388647 | epot = -38.9794799026743 | etot = -31.2724808501579 -973000 ekin = 3.7246589822928 | erot = 3.97416581320673 | epot = -39.0667487302084 | etot = -31.3679239347088 -974000 ekin = 3.99953950913791 | erot = 4.13912764019193 | epot = -39.1431741069697 | etot = -31.0045069576398 -975000 ekin = 4.00465817345131 | erot = 3.99525896460893 | epot = -39.1948973492942 | etot = -31.194980211234 -976000 ekin = 4.16803719317624 | erot = 4.27607609453618 | epot = -39.2042146461381 | etot = -30.7601013584257 -977000 ekin = 4.27763535208348 | erot = 4.3578537464676 | epot = -39.1647674598218 | etot = -30.5292783612708 -978000 ekin = 4.21509832146809 | erot = 3.96978575035229 | epot = -39.0661575270878 | etot = -30.8812734552674 -979000 ekin = 4.1121993977163 | erot = 3.86340161937279 | epot = -38.9126163242263 | etot = -30.9370153071372 -980000 ekin = 4.08548639230676 | erot = 3.71918260809163 | epot = -38.7460650378699 | etot = -30.9413960374715 -981000 ekin = 4.02033461236246 | erot = 3.54042819636898 | epot = -38.597187758635 | etot = -31.0364249499036 -982000 ekin = 4.05981657544079 | erot = 3.65178477672055 | epot = -38.4729888125583 | etot = -30.761387460397 -983000 ekin = 4.15649242216497 | erot = 3.62195027480226 | epot = -38.3342599610661 | etot = -30.5558172640988 -984000 ekin = 4.15445943144041 | erot = 3.41256983843898 | epot = -38.1946691276127 | etot = -30.6276398577333 -985000 ekin = 3.8765990108719 | erot = 3.43767805044635 | epot = -38.0505436384558 | etot = -30.7362665771376 -986000 ekin = 3.85786856381243 | erot = 3.30334700587336 | epot = -37.8996934133204 | etot = -30.7384778436346 -987000 ekin = 3.87294863787324 | erot = 3.15398232754985 | epot = -37.7929706719646 | etot = -30.7660397065415 -988000 ekin = 3.93790531951922 | erot = 3.08701498108577 | epot = -37.6532967522442 | etot = -30.6283764516392 -989000 ekin = 3.83115351568816 | erot = 3.07802242316593 | epot = -37.5101193189106 | etot = -30.6009433800565 -990000 ekin = 3.81048959043177 | erot = 3.11196082795564 | epot = -37.3832609771668 | etot = -30.4608105587794 -991000 ekin = 3.71517412131507 | erot = 3.09240412040415 | epot = -37.2833659467137 | etot = -30.4757877049945 -992000 ekin = 3.63849701384077 | erot = 2.99887074192575 | epot = -37.1786754428024 | etot = -30.5413076870359 -993000 ekin = 3.63209056043319 | erot = 3.27649085900159 | epot = -37.0906927302528 | etot = -30.182111310818 -994000 ekin = 3.59828390693157 | erot = 3.83169777268287 | epot = -37.0255816353103 | etot = -29.5955999556959 -995000 ekin = 3.75927077522085 | erot = 3.45385861701398 | epot = -36.9690811728773 | etot = -29.7559517806424 -996000 ekin = 3.7162823443018 | erot = 3.37243499359149 | epot = -36.9421300931431 | etot = -29.8534127552498 -997000 ekin = 3.60416089411945 | erot = 3.31461433836006 | epot = -36.952810875641 | etot = -30.0340356431615 -998000 ekin = 3.71457183702559 | erot = 3.42780251384754 | epot = -37.0325234658195 | etot = -29.8901491149464 -999000 ekin = 3.78703773886275 | erot = 3.63993408891199 | epot = -37.154809159371 | etot = -29.7278373315963 -1000000 ekin = 3.83883486112593 | erot = 3.47192929391939 | epot = -37.2430911050886 | etot = -29.9323269500432 - 1000000 0.10236893 -1.4701186 0.037692055 -1.2847791 5.0290761e-05 64000 -Loop time of 78.4082 on 1 procs for 1000000 steps with 26 atoms - -Performance: 11019.253 tau/day, 12753.765 timesteps/s -99.4% CPU use with 1 MPI tasks x no OpenMP threads - -MPI task timing breakdown: -Section | min time | avg time | max time |%varavg| %total ---------------------------------------------------------------- -Pair | 69.545 | 69.545 | 69.545 | 0.0 | 88.70 -Bond | 1.6652 | 1.6652 | 1.6652 | 0.0 | 2.12 -Neigh | 0.021387 | 0.021387 | 0.021387 | 0.0 | 0.03 -Comm | 0.20462 | 0.20462 | 0.20462 | 0.0 | 0.26 -Output | 0.23702 | 0.23702 | 0.23702 | 0.0 | 0.30 -Modify | 6.5296 | 6.5296 | 6.5296 | 0.0 | 8.33 -Other | | 0.2057 | | | 0.26 - -Nlocal: 26.0000 ave 26 max 26 min -Histogram: 1 0 0 0 0 0 0 0 0 0 -Nghost: 0.00000 ave 0 max 0 min -Histogram: 1 0 0 0 0 0 0 0 0 0 -Neighs: 301.000 ave 301 max 301 min -Histogram: 1 0 0 0 0 0 0 0 0 0 - -Total # of neighbors = 301 -Ave neighs/atom = 11.576923 -Ave special neighs/atom = 5.0769231 -Neighbor list builds = 1000 -Dangerous builds = 0 - -write_data last_config.${number}.* nocoeff -write_data last_config.4.* nocoeff -System init for write_data ... -Total wall time: 0:01:18 diff --git a/examples/PACKAGES/cgdna/examples/oxDNA2/unique_bp/log.27May21.duplex4.4type.g++4 b/examples/PACKAGES/cgdna/examples/oxDNA2/unique_bp/log.27May21.duplex4.4type.g++4 deleted file mode 100644 index e04e7ab623..0000000000 --- a/examples/PACKAGES/cgdna/examples/oxDNA2/unique_bp/log.27May21.duplex4.4type.g++4 +++ /dev/null @@ -1,1229 +0,0 @@ -LAMMPS (27 May 2021) -variable number equal 4 -variable ofreq equal 1000 -variable efreq equal 1000 - -variable ntype equal 4 - -variable T equal 0.1 -variable rhos equal 0.2 - -units lj - -dimension 3 - -newton off - -boundary p p p - -atom_style hybrid bond ellipsoid oxdna -WARNING: Atom style hybrid defines both, per-type and per-atom masses; both must be set, but only per-atom masses will be used (../atom_vec_hybrid.cpp:157) -atom_modify sort 0 1.0 - -# Pair interactions require lists of neighbours to be calculated -neighbor 2.0 bin -neigh_modify every 10 delay 0 check yes - -read_data data.duplex4.4type -Reading data file ... - orthogonal box = (-20.000000 -20.000000 -20.000000) to (20.000000 20.000000 20.000000) - 1 by 2 by 2 MPI processor grid - reading atoms ... - 26 atoms - reading velocities ... - 26 velocities - scanning bonds ... - 2 = max bonds/atom - 26 ellipsoids - reading bonds ... - 24 bonds -Finding 1-2 1-3 1-4 neighbors ... - special bond factors lj: 0 0 0 - special bond factors coul: 0 0 0 - 2 = max # of 1-2 neighbors - 2 = max # of 1-3 neighbors - 4 = max # of 1-4 neighbors - 6 = max # of special neighbors - special bonds CPU = 0.001 seconds - read_data CPU = 0.005 seconds - -mass * 3.1575 # sets per-type mass if not in data file -set atom * mass 3.1575 # sets per-atom mass -Setting atom values ... - 26 settings made for mass - -group all type 1 4 -26 atoms in group all - -# oxDNA2 bond interactions - FENE backbone -bond_style oxdna2/fene -bond_coeff * 2.0 0.25 0.7564 -special_bonds lj 0 1 1 -Finding 1-2 1-3 1-4 neighbors ... - special bond factors lj: 0 1 1 - special bond factors coul: 0 0 0 - 2 = max # of 1-2 neighbors - 2 = max # of 1-3 neighbors - 4 = max # of 1-4 neighbors - 6 = max # of special neighbors - special bonds CPU = 0.000 seconds - -# oxDNA pair interactions -pair_style hybrid/overlay oxdna2/excv oxdna2/stk oxdna2/hbond oxdna2/xstk oxdna2/coaxstk oxdna2/dh -pair_coeff * * oxdna2/excv 2.0 0.7 0.675 2.0 0.515 0.5 2.0 0.33 0.32 -pair_coeff * * oxdna2/stk seqdep ${T} 1.3523 2.6717 6.0 0.4 0.9 0.32 0.75 1.3 0 0.8 0.9 0 0.95 0.9 0 0.95 2.0 0.65 2.0 0.65 -pair_coeff * * oxdna2/stk seqdep 0.1 1.3523 2.6717 6.0 0.4 0.9 0.32 0.75 1.3 0 0.8 0.9 0 0.95 0.9 0 0.95 2.0 0.65 2.0 0.65 -pair_coeff * * oxdna2/hbond seqdep 0.0 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 - -label loop -variable base loop ${ntype} -variable base loop 4 - variable basemod equal ${base}%4 - variable basemod equal 1%4 - if "${basemod} == 1" then "variable comp equal ${base}+3" "pair_coeff ${base} ${comp} oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45" -variable comp equal ${base}+3 -variable comp equal 1+3 -pair_coeff ${base} ${comp} oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 -pair_coeff 1 ${comp} oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 -pair_coeff 1 4 oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 - if "${basemod} == 2" then "variable comp equal ${base}+1" "pair_coeff ${base} ${comp} oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45" -next base -jump in.duplex4.4type loop -variable base loop ${ntype} -variable base loop 4 - variable basemod equal ${base}%4 - variable basemod equal 2%4 - if "${basemod} == 1" then "variable comp equal ${base}+3" "pair_coeff ${base} ${comp} oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45" - if "${basemod} == 2" then "variable comp equal ${base}+1" "pair_coeff ${base} ${comp} oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45" -variable comp equal ${base}+1 -variable comp equal 2+1 -pair_coeff ${base} ${comp} oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 -pair_coeff 2 ${comp} oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 -pair_coeff 2 3 oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 -next base -jump in.duplex4.4type loop -variable base loop ${ntype} -variable base loop 4 - variable basemod equal ${base}%4 - variable basemod equal 3%4 - if "${basemod} == 1" then "variable comp equal ${base}+3" "pair_coeff ${base} ${comp} oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45" - if "${basemod} == 2" then "variable comp equal ${base}+1" "pair_coeff ${base} ${comp} oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45" -next base -jump in.duplex4.4type loop -variable base loop ${ntype} -variable base loop 4 - variable basemod equal ${base}%4 - variable basemod equal 4%4 - if "${basemod} == 1" then "variable comp equal ${base}+3" "pair_coeff ${base} ${comp} oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45" - if "${basemod} == 2" then "variable comp equal ${base}+1" "pair_coeff ${base} ${comp} oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45" -next base -jump in.duplex4.4type loop - -pair_coeff * * oxdna2/xstk 47.5 0.575 0.675 0.495 0.655 2.25 0.791592653589793 0.58 1.7 1.0 0.68 1.7 1.0 0.68 1.5 0 0.65 1.7 0.875 0.68 1.7 0.875 0.68 -pair_coeff * * oxdna2/coaxstk 58.5 0.4 0.6 0.22 0.58 2.0 2.891592653589793 0.65 1.3 0 0.8 0.9 0 0.95 0.9 0 0.95 40.0 3.116592653589793 -pair_coeff * * oxdna2/dh ${T} ${rhos} 0.815 -pair_coeff * * oxdna2/dh 0.1 ${rhos} 0.815 -pair_coeff * * oxdna2/dh 0.1 0.2 0.815 - -# Langevin dynamics -fix 1 all nve/asphere -fix 2 all langevin ${T} ${T} 2.5 457145 angmom 10 -fix 2 all langevin 0.1 ${T} 2.5 457145 angmom 10 -fix 2 all langevin 0.1 0.1 2.5 457145 angmom 10 - -timestep 1e-5 - -#comm_style tiled -fix 3 all balance 1000 1.03 shift xyz 10 1.03 -comm_modify cutoff 3.8 - -compute quat all property/atom quatw quati quatj quatk - -compute erot all erotate/asphere -compute ekin all ke -compute epot all pe -variable erot equal c_erot -variable ekin equal c_ekin -variable epot equal c_epot -variable etot equal c_erot+c_ekin+c_epot -fix 5 all print ${efreq} "$(step) ekin = ${ekin} | erot = ${erot} | epot = ${epot} | etot = ${etot}" screen yes -fix 5 all print 1000 "$(step) ekin = ${ekin} | erot = ${erot} | epot = ${epot} | etot = ${etot}" screen yes - -dump out all custom ${ofreq} out.${number}.lammpstrj id mol type x y z ix iy iz vx vy vz c_quat[1] c_quat[2] c_quat[3] c_quat[4] angmomx angmomy angmomz -dump out all custom 1000 out.${number}.lammpstrj id mol type x y z ix iy iz vx vy vz c_quat[1] c_quat[2] c_quat[3] c_quat[4] angmomx angmomy angmomz -dump out all custom 1000 out.4.lammpstrj id mol type x y z ix iy iz vx vy vz c_quat[1] c_quat[2] c_quat[3] c_quat[4] angmomx angmomy angmomz -dump_modify out sort id -dump_modify out format line "%d %d %d %22.15le %22.15le %22.15le %d %d %d %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le" - -run 1000000 -Neighbor list info ... - update every 10 steps, delay 0 steps, check yes - max neighbors/atom: 2000, page size: 100000 - master list distance cutoff = 5.6389877 - ghost atom cutoff = 5.6389877 - binsize = 2.8194939, bins = 15 15 15 - 5 neighbor lists, perpetual/occasional/extra = 5 0 0 - (1) pair oxdna2/excv, perpetual - attributes: half, newton off - pair build: half/bin/newtoff - stencil: full/bin/3d - bin: standard - (2) pair oxdna2/hbond, perpetual, copy from (1) - attributes: half, newton off - pair build: copy - stencil: none - bin: none - (3) pair oxdna2/xstk, perpetual, copy from (1) - attributes: half, newton off - pair build: copy - stencil: none - bin: none - (4) pair oxdna2/coaxstk, perpetual, copy from (1) - attributes: half, newton off - pair build: copy - stencil: none - bin: none - (5) pair oxdna2/dh, perpetual, copy from (1) - attributes: half, newton off - pair build: copy - stencil: none - bin: none -WARNING: Communication cutoff adjusted to 5.638987723814632 (../comm.cpp:739) -0 ekin = 3.74991604702378 | erot = 3.45272678980464 | epot = -37.3742009011421 | etot = -30.1715580643137 -Per MPI rank memory allocation (min/avg/max) = 9.571 | 9.572 | 9.573 Mbytes -Step Temp E_pair E_mol TotEng Press Volume - 0 0.099997761 -1.4717559 0.03428661 -1.2932417 5.6146609e-05 64000 -1000 ekin = 3.92430268570824 | erot = 3.29540971313705 | epot = -37.4816670091169 | etot = -30.2619546102716 -2000 ekin = 3.88644825046428 | erot = 3.58410925014822 | epot = -37.5871874286304 | etot = -30.1166299280179 -3000 ekin = 3.90603224055461 | erot = 3.78206057452861 | epot = -37.7021302921285 | etot = -30.0140374770453 -4000 ekin = 4.02636555552402 | erot = 3.91677901140303 | epot = -37.8027608694504 | etot = -29.8596163025233 -5000 ekin = 4.05442725401043 | erot = 4.07817807460239 | epot = -37.8494362833427 | etot = -29.7168309547299 -6000 ekin = 4.13499768127483 | erot = 4.03873475277247 | epot = -37.8257365098367 | etot = -29.6520040757894 -7000 ekin = 4.08584129662811 | erot = 3.98502892930338 | epot = -37.744776171106 | etot = -29.6739059451746 -8000 ekin = 4.04473728341539 | erot = 3.70461133282256 | epot = -37.6185211079512 | etot = -29.8691724917132 -9000 ekin = 3.97040375513034 | erot = 3.89171847539017 | epot = -37.4779912856655 | etot = -29.615869055145 -10000 ekin = 4.08064552796877 | erot = 4.10399273710613 | epot = -37.3378150214196 | etot = -29.1531767563447 -11000 ekin = 3.94505548567029 | erot = 4.14758664614567 | epot = -37.2085796341436 | etot = -29.1159375023277 -12000 ekin = 3.88687763742867 | erot = 4.11256727293728 | epot = -37.1168918341093 | etot = -29.1174469237433 -13000 ekin = 3.78376547312035 | erot = 3.94997258779545 | epot = -37.0636475805867 | etot = -29.3299095196709 -14000 ekin = 3.72114827358809 | erot = 3.83862755313067 | epot = -37.0539326083543 | etot = -29.4941567816355 -15000 ekin = 3.63885725366144 | erot = 3.37568559083325 | epot = -37.0775134892158 | etot = -30.0629706447211 -16000 ekin = 3.75926862366823 | erot = 3.47832285528771 | epot = -37.1763229835919 | etot = -29.938731504636 -17000 ekin = 3.80458992549718 | erot = 3.37818714949378 | epot = -37.3270848276044 | etot = -30.1443077526134 -18000 ekin = 3.81685915102048 | erot = 3.82235577807969 | epot = -37.4876996492705 | etot = -29.8484847201703 -19000 ekin = 3.80633274630077 | erot = 3.8039328333736 | epot = -37.6386270441084 | etot = -30.028361464434 -20000 ekin = 3.77027693322165 | erot = 3.97848447130841 | epot = -37.7861726918926 | etot = -30.0374112873625 -21000 ekin = 3.75594248876352 | erot = 3.90400523936658 | epot = -37.9165000666024 | etot = -30.2565523384723 -22000 ekin = 3.81729390633802 | erot = 3.70298358069274 | epot = -38.0211478246462 | etot = -30.5008703376154 -23000 ekin = 3.86462773298721 | erot = 3.52903064555341 | epot = -38.0539868057477 | etot = -30.6603284272071 -24000 ekin = 3.84611190496181 | erot = 3.47876891204866 | epot = -38.0524942369904 | etot = -30.7276134199799 -25000 ekin = 3.88431543220182 | erot = 3.80956733596667 | epot = -38.0090041212112 | etot = -30.3151213530427 -26000 ekin = 3.88520717073552 | erot = 4.04667753560866 | epot = -37.9336134642013 | etot = -30.0017287578571 -27000 ekin = 3.83553778749005 | erot = 4.18222306888362 | epot = -37.8633670830474 | etot = -29.8456062266737 -28000 ekin = 3.83638307293673 | erot = 4.13838046178307 | epot = -37.8079901228044 | etot = -29.8332265880846 -29000 ekin = 3.81360349447094 | erot = 4.16358811310864 | epot = -37.7885827024555 | etot = -29.8113910948759 -30000 ekin = 3.89572360919441 | erot = 4.04566996469674 | epot = -37.7874054211311 | etot = -29.84601184724 -31000 ekin = 3.89393888302718 | erot = 3.55790326104627 | epot = -37.8038131932178 | etot = -30.3519710491444 -32000 ekin = 3.80317271692918 | erot = 3.54273524643272 | epot = -37.8451815180301 | etot = -30.4992735546682 -33000 ekin = 3.78703980355191 | erot = 3.99364624500488 | epot = -37.9406281896734 | etot = -30.1599421411166 -34000 ekin = 3.77142087668807 | erot = 3.88594611308813 | epot = -38.097584352555 | etot = -30.4402173627788 -35000 ekin = 3.71264930628466 | erot = 3.65225843687418 | epot = -38.2835289304067 | etot = -30.9186211872479 -36000 ekin = 3.74220790707641 | erot = 3.95952222810293 | epot = -38.4596915935922 | etot = -30.7579614584129 -37000 ekin = 3.82423101226177 | erot = 4.44859396622365 | epot = -38.6538277887212 | etot = -30.3810028102358 -38000 ekin = 3.69455547696862 | erot = 4.82722829899228 | epot = -38.8348230288023 | etot = -30.3130392528414 -39000 ekin = 3.5954890965849 | erot = 5.03318978839678 | epot = -38.9632877762132 | etot = -30.3346088912316 -40000 ekin = 3.7239082672625 | erot = 4.77008246177599 | epot = -39.0432740898072 | etot = -30.5492833607687 -41000 ekin = 3.71845130286974 | erot = 4.66721188475359 | epot = -39.0678678855713 | etot = -30.6822046979479 -42000 ekin = 3.5469605515821 | erot = 4.50731751167304 | epot = -39.0616854007739 | etot = -31.0074073375187 -43000 ekin = 3.57495163768248 | erot = 4.94852093613523 | epot = -39.0169365666547 | etot = -30.493463992837 -44000 ekin = 3.52915394890506 | erot = 5.14481752350032 | epot = -38.9320102816114 | etot = -30.258038809206 -45000 ekin = 3.36103362047063 | erot = 5.30737062665206 | epot = -38.8074049309155 | etot = -30.1390006837928 -46000 ekin = 3.33204426677158 | erot = 4.63880623753679 | epot = -38.6602813061652 | etot = -30.6894308018569 -47000 ekin = 3.34546960167669 | erot = 4.072379763769 | epot = -38.5241501078281 | etot = -31.1063007423824 -48000 ekin = 3.40049787952112 | erot = 4.05251615432405 | epot = -38.3938498073687 | etot = -30.9408357735235 -49000 ekin = 3.31008896923648 | erot = 4.20737258711336 | epot = -38.2514760468933 | etot = -30.7340144905435 -50000 ekin = 3.27384446847297 | erot = 3.84861240213718 | epot = -38.0781706006623 | etot = -30.9557137300522 -51000 ekin = 3.28837845708164 | erot = 4.03176750511309 | epot = -37.9124524403703 | etot = -30.5923064781756 -52000 ekin = 3.3261261077424 | erot = 3.69449114481263 | epot = -37.7461543084426 | etot = -30.7255370558875 -53000 ekin = 3.24704253260756 | erot = 3.82351300738067 | epot = -37.5996085904181 | etot = -30.5290530504299 -54000 ekin = 3.28722266262306 | erot = 3.86366065026156 | epot = -37.4297798097104 | etot = -30.2788964968257 -55000 ekin = 3.24079189906262 | erot = 3.69908024112639 | epot = -37.2469422361789 | etot = -30.3070700959899 -56000 ekin = 3.183124569803 | erot = 3.47133297155146 | epot = -37.0860684089791 | etot = -30.4316108676246 -57000 ekin = 3.22541795737962 | erot = 3.05594699251087 | epot = -36.9568071104528 | etot = -30.6754421605623 -58000 ekin = 3.32107899021702 | erot = 2.99608132055983 | epot = -36.8451019319952 | etot = -30.5279416212183 -59000 ekin = 3.3775603338752 | erot = 3.02468556348897 | epot = -36.7527120143507 | etot = -30.3504661169865 -60000 ekin = 3.3783851820659 | erot = 2.80486585978131 | epot = -36.6500489307871 | etot = -30.4667978889399 -61000 ekin = 3.4259305825981 | erot = 2.57336693961335 | epot = -36.5598996921942 | etot = -30.5606021699827 -62000 ekin = 3.38330194206295 | erot = 2.48716523240079 | epot = -36.4917506706078 | etot = -30.6212834961441 -63000 ekin = 3.23944564751902 | erot = 2.68514269262901 | epot = -36.4581690118127 | etot = -30.5335806716646 -64000 ekin = 3.12857340842367 | erot = 2.81379000215884 | epot = -36.4694531808169 | etot = -30.5270897702344 -65000 ekin = 3.0972900172278 | erot = 2.97796742393482 | epot = -36.4999099304858 | etot = -30.4246524893232 -66000 ekin = 3.02532625214509 | erot = 2.98352661182224 | epot = -36.5477137384001 | etot = -30.5388608744328 -67000 ekin = 3.14798260660729 | erot = 3.20065089850768 | epot = -36.6320762786642 | etot = -30.2834427735492 -68000 ekin = 3.28121216444371 | erot = 3.27703862715896 | epot = -36.7797333797323 | etot = -30.2214825881296 -69000 ekin = 3.39109863872899 | erot = 3.49453676740748 | epot = -36.9477169900692 | etot = -30.0620815839328 -70000 ekin = 3.52145416968701 | erot = 3.19663795891378 | epot = -37.1459833247571 | etot = -30.4278911961563 -71000 ekin = 3.72588366820837 | erot = 3.11523594110614 | epot = -37.3394708863316 | etot = -30.4983512770171 -72000 ekin = 3.87053189634972 | erot = 3.51504753627359 | epot = -37.5837173340768 | etot = -30.1981379014535 -73000 ekin = 4.043534645073 | erot = 3.57819581965021 | epot = -37.8491002809696 | etot = -30.2273698162464 -74000 ekin = 4.21655599164747 | erot = 3.67972843708688 | epot = -38.0370200626724 | etot = -30.1407356339381 -75000 ekin = 4.2751803734558 | erot = 3.50148075250732 | epot = -38.1503543696657 | etot = -30.3736932437026 -76000 ekin = 4.39260378383777 | erot = 3.17711135808546 | epot = -38.2269779234848 | etot = -30.6572627815615 -77000 ekin = 4.46694156592454 | erot = 3.28356630286401 | epot = -38.2567512319265 | etot = -30.506243363138 -78000 ekin = 4.58031785764229 | erot = 3.27581240698066 | epot = -38.2501645622451 | etot = -30.3940342976221 -79000 ekin = 4.74132912230535 | erot = 3.40062659497661 | epot = -38.2259226034585 | etot = -30.0839668861766 -80000 ekin = 4.84478519554072 | erot = 3.56980153308286 | epot = -38.14766861013 | etot = -29.7330818815064 -81000 ekin = 4.71163727717015 | erot = 3.65201658810459 | epot = -38.0489180007765 | etot = -29.6852641355017 -82000 ekin = 4.62310894573492 | erot = 3.61128178949357 | epot = -37.9515873690417 | etot = -29.7171966338132 -83000 ekin = 4.53890753637813 | erot = 3.79707688079936 | epot = -37.8589639327863 | etot = -29.5229795156088 -84000 ekin = 4.51952558800272 | erot = 3.75897913437636 | epot = -37.8043394039473 | etot = -29.5258346815682 -85000 ekin = 4.44986224636044 | erot = 4.10169839029415 | epot = -37.7952059629819 | etot = -29.2436453263273 -86000 ekin = 4.40335859262171 | erot = 4.18303158637893 | epot = -37.840594671262 | etot = -29.2542044922614 -87000 ekin = 4.34352629789854 | erot = 4.00093225674539 | epot = -37.8981775676818 | etot = -29.5537190130379 -88000 ekin = 4.39692532206221 | erot = 3.88765396717304 | epot = -37.9120170018269 | etot = -29.6274377125917 -89000 ekin = 4.3589540780767 | erot = 4.0687705270632 | epot = -37.8812041939536 | etot = -29.4534795888137 -90000 ekin = 4.20715511673659 | erot = 3.96880041117212 | epot = -37.8268382933969 | etot = -29.6508827654882 -91000 ekin = 4.2202199323169 | erot = 4.12841045745315 | epot = -37.7475084891388 | etot = -29.3988780993687 -92000 ekin = 4.1326498688273 | erot = 3.86635436032376 | epot = -37.6428932571545 | etot = -29.6438890280035 -93000 ekin = 4.05697056146658 | erot = 3.48249980793546 | epot = -37.5034004108467 | etot = -29.9639300414447 -94000 ekin = 3.85560920909744 | erot = 3.51617278195642 | epot = -37.371684822218 | etot = -29.9999028311642 -95000 ekin = 3.7069616782419 | erot = 3.7453999268692 | epot = -37.2425364302767 | etot = -29.7901748251656 -96000 ekin = 3.64541489153227 | erot = 3.55177042583784 | epot = -37.1071295289257 | etot = -29.9099442115556 -97000 ekin = 3.59427366044239 | erot = 3.58237376190961 | epot = -36.9903312497973 | etot = -29.8136838274453 -98000 ekin = 3.36609732779817 | erot = 3.78920076230078 | epot = -36.8893462899042 | etot = -29.7340481998052 -99000 ekin = 3.24308716626432 | erot = 3.98439513504784 | epot = -36.7958275145326 | etot = -29.5683452132204 -100000 ekin = 3.10105716620438 | erot = 3.88380514198999 | epot = -36.7237148853879 | etot = -29.7388525771935 -101000 ekin = 3.05392814208233 | erot = 3.92712981026601 | epot = -36.701962452506 | etot = -29.7209045001576 -102000 ekin = 3.21793305977178 | erot = 4.11601242104532 | epot = -36.7682713932638 | etot = -29.4343259124467 -103000 ekin = 3.29518049820435 | erot = 4.13622147772539 | epot = -36.8839850328129 | etot = -29.4525830568832 -104000 ekin = 3.38349143563889 | erot = 4.1183455666037 | epot = -37.0170458924454 | etot = -29.5152088902028 -105000 ekin = 3.43063719220638 | erot = 4.19281995644327 | epot = -37.150125503217 | etot = -29.5266683545673 -106000 ekin = 3.3930587869785 | erot = 4.59139499879992 | epot = -37.2962927182996 | etot = -29.3118389325211 -107000 ekin = 3.49611625167344 | erot = 4.42190170056941 | epot = -37.4298253792172 | etot = -29.5118074269743 -108000 ekin = 3.59165643487494 | erot = 4.73333858652918 | epot = -37.482137044902 | etot = -29.1571420234978 -109000 ekin = 3.59878557010229 | erot = 5.08720641062802 | epot = -37.4454225962908 | etot = -28.7594306155605 -110000 ekin = 3.52607850054465 | erot = 4.92743402067557 | epot = -37.33464551381 | etot = -28.8811329925897 -111000 ekin = 3.52196404281882 | erot = 4.48970120472559 | epot = -37.2166378630308 | etot = -29.2049726154863 -112000 ekin = 3.64094551226758 | erot = 4.18578082474331 | epot = -37.1356107687899 | etot = -29.3088844317791 -113000 ekin = 3.59908785035488 | erot = 3.81929848767613 | epot = -37.1563156196511 | etot = -29.7379292816201 -114000 ekin = 3.73247165614552 | erot = 3.7191219132616 | epot = -37.1841072802386 | etot = -29.7325137108315 -115000 ekin = 3.81386546938849 | erot = 3.49889872890822 | epot = -37.2616543115737 | etot = -29.948890113277 -116000 ekin = 4.05829999340919 | erot = 3.58390665501405 | epot = -37.4003005682591 | etot = -29.7580939198359 -117000 ekin = 4.27550110925089 | erot = 3.79076820440125 | epot = -37.5923004712666 | etot = -29.5260311576145 -118000 ekin = 4.45490103530269 | erot = 3.77915185795812 | epot = -37.7846946186124 | etot = -29.5506417253515 -119000 ekin = 4.58790399115696 | erot = 3.86870152715706 | epot = -37.9811558924431 | etot = -29.5245503741291 -120000 ekin = 4.92259141545412 | erot = 3.84940365834982 | epot = -38.1382043293411 | etot = -29.3662092555371 -121000 ekin = 5.13183269148667 | erot = 4.03705087488496 | epot = -38.2560800244005 | etot = -29.0871964580288 -122000 ekin = 5.17140868558226 | erot = 3.61810962674133 | epot = -38.3381390234359 | etot = -29.5486207111123 -123000 ekin = 5.28384467069957 | erot = 4.14897954513993 | epot = -38.3803925391061 | etot = -28.9475683232666 -124000 ekin = 5.45144965935832 | erot = 3.74948516195925 | epot = -38.4152715166921 | etot = -29.2143366953745 -125000 ekin = 5.49907232704504 | erot = 3.62957174075197 | epot = -38.4698081948487 | etot = -29.3411641270517 -126000 ekin = 5.81275552922944 | erot = 3.50370762045612 | epot = -38.5369283444346 | etot = -29.2204651947491 -127000 ekin = 5.71810535961462 | erot = 3.50153411217264 | epot = -38.6097648991183 | etot = -29.390125427331 -128000 ekin = 5.59769610955185 | erot = 2.99726680348478 | epot = -38.6545287261786 | etot = -30.059565813142 -129000 ekin = 5.51657182067137 | erot = 3.37515224045319 | epot = -38.6909141535699 | etot = -29.7991900924454 -130000 ekin = 5.46626997343554 | erot = 3.77525421867741 | epot = -38.7059148210791 | etot = -29.4643906289662 -131000 ekin = 5.369877414402 | erot = 3.92459463488634 | epot = -38.6781199948582 | etot = -29.3836479455698 -132000 ekin = 5.13704854270014 | erot = 3.89365302265538 | epot = -38.6113331110915 | etot = -29.580631545736 -133000 ekin = 5.04851208372184 | erot = 4.17613618410306 | epot = -38.4969113589734 | etot = -29.2722630911485 -134000 ekin = 4.96335667475941 | erot = 4.28428652813741 | epot = -38.308416110038 | etot = -29.0607729071412 -135000 ekin = 4.67485522816795 | erot = 3.71485446937039 | epot = -38.0437601659662 | etot = -29.6540504684278 -136000 ekin = 4.4890629916043 | erot = 4.19015103736215 | epot = -37.7533241067258 | etot = -29.0741100777593 -137000 ekin = 4.31371561077616 | erot = 3.47925724303299 | epot = -37.4739407743081 | etot = -29.6809679204989 -138000 ekin = 3.96696543473023 | erot = 3.71675428283175 | epot = -37.2042587721437 | etot = -29.5205390545817 -139000 ekin = 3.59101315513219 | erot = 3.64278698721068 | epot = -36.9457852108051 | etot = -29.7119850684622 -140000 ekin = 3.44095423425017 | erot = 3.49830537198652 | epot = -36.7203613080872 | etot = -29.7811017018505 -141000 ekin = 3.36296546737369 | erot = 3.56983741924066 | epot = -36.4964767451357 | etot = -29.5636738585213 -142000 ekin = 3.18252441669259 | erot = 3.32935464682758 | epot = -36.3244758925308 | etot = -29.8125968290106 -143000 ekin = 3.18465930443846 | erot = 3.56170045589814 | epot = -36.2215210957505 | etot = -29.4751613354139 -144000 ekin = 3.08106725409747 | erot = 3.50261030291633 | epot = -36.1512447258049 | etot = -29.5675671687911 -145000 ekin = 3.08093776365794 | erot = 3.51948185643724 | epot = -36.0863085456317 | etot = -29.4858889255365 -146000 ekin = 3.02030159479387 | erot = 3.3739730546246 | epot = -36.0845314152703 | etot = -29.6902567658518 -147000 ekin = 3.0413907298566 | erot = 3.36603954258596 | epot = -36.1557232229402 | etot = -29.7482929504977 -148000 ekin = 3.14853067203595 | erot = 3.14562859809704 | epot = -36.2494960139439 | etot = -29.9553367438109 -149000 ekin = 3.18195150813314 | erot = 3.58071760906443 | epot = -36.3477640598882 | etot = -29.5850949426907 -150000 ekin = 3.21133048800031 | erot = 3.85389957660328 | epot = -36.4132627454733 | etot = -29.3480326808697 -151000 ekin = 3.3414410423208 | erot = 3.49391537632178 | epot = -36.47829445309 | etot = -29.6429380344474 -152000 ekin = 3.38469121090166 | erot = 3.35926284582918 | epot = -36.5578474424856 | etot = -29.8138933857547 -153000 ekin = 3.52527639525701 | erot = 3.56811727016358 | epot = -36.6674257186129 | etot = -29.5740320531923 -154000 ekin = 3.77924799771095 | erot = 3.5214579525681 | epot = -36.7622601921048 | etot = -29.4615542418258 -155000 ekin = 3.83418008764662 | erot = 3.28305394597573 | epot = -36.8282659682374 | etot = -29.7110319346151 -156000 ekin = 3.87517167307552 | erot = 2.7562101543893 | epot = -36.8507311290664 | etot = -30.2193493016016 -157000 ekin = 3.89846784481937 | erot = 3.03513966490494 | epot = -36.8490467787069 | etot = -29.9154392689826 -158000 ekin = 3.86372390524165 | erot = 3.0673314083842 | epot = -36.8143502444316 | etot = -29.8832949308058 -159000 ekin = 3.87560822586875 | erot = 2.72238394226955 | epot = -36.7720066653759 | etot = -30.1740144972376 -160000 ekin = 3.81659540649487 | erot = 2.79162883042019 | epot = -36.745609213871 | etot = -30.137384976956 -161000 ekin = 3.90364665450438 | erot = 2.85891130626961 | epot = -36.6767188031099 | etot = -29.9141608423359 -162000 ekin = 3.93432840871727 | erot = 3.23277686088047 | epot = -36.60685028113 | etot = -29.4397450115322 -163000 ekin = 3.97425577903338 | erot = 2.70754263327096 | epot = -36.5720643915924 | etot = -29.890265979288 -164000 ekin = 3.91949827572788 | erot = 3.05668804181471 | epot = -36.5812838593575 | etot = -29.6050975418149 -165000 ekin = 3.99425179561608 | erot = 3.29785069907607 | epot = -36.6379374004751 | etot = -29.345834905783 -166000 ekin = 4.02904533815474 | erot = 3.36634066781855 | epot = -36.7340868254029 | etot = -29.3387008194296 -167000 ekin = 4.03733260336922 | erot = 3.51733984448521 | epot = -36.8476519248263 | etot = -29.2929794769719 -168000 ekin = 4.01641387278262 | erot = 3.37538682559192 | epot = -36.9710980220148 | etot = -29.5792973236403 -169000 ekin = 3.94799788749928 | erot = 3.38842418926867 | epot = -37.1207420196424 | etot = -29.7843199428744 -170000 ekin = 3.98944239104452 | erot = 3.56779767670648 | epot = -37.2922600249326 | etot = -29.7350199571816 -171000 ekin = 4.04980262307219 | erot = 3.87308310464248 | epot = -37.4956434312003 | etot = -29.5727577034856 -172000 ekin = 4.10498686244998 | erot = 4.24595756362569 | epot = -37.6879527015205 | etot = -29.3370082754448 -173000 ekin = 4.12919710204796 | erot = 4.28575123018842 | epot = -37.8940672883479 | etot = -29.4791189561115 -174000 ekin = 4.04607401980617 | erot = 4.41784593637473 | epot = -38.1063274639924 | etot = -29.6424075078115 -175000 ekin = 4.13007220306847 | erot = 4.39679134693123 | epot = -38.3139522350302 | etot = -29.7870886850305 -176000 ekin = 4.14146369640392 | erot = 4.2556500250018 | epot = -38.5085743578719 | etot = -30.1114606364662 -177000 ekin = 4.33605278083781 | erot = 4.58687123058824 | epot = -38.6633454116433 | etot = -29.7404214002173 -178000 ekin = 4.32688916484258 | erot = 4.50454813785642 | epot = -38.7700089206445 | etot = -29.9385716179455 -179000 ekin = 4.39331384776139 | erot = 4.88121292734146 | epot = -38.8147888868654 | etot = -29.5402621117625 -180000 ekin = 4.36409495919737 | erot = 4.62653667682629 | epot = -38.7920356589672 | etot = -29.8014040229435 -181000 ekin = 4.40002739116585 | erot = 4.26572305349584 | epot = -38.7320900980018 | etot = -30.0663396533401 -182000 ekin = 4.38584471768771 | erot = 4.03958660380969 | epot = -38.6652721860916 | etot = -30.2398408645942 -183000 ekin = 4.38872118980224 | erot = 4.03920994265183 | epot = -38.5494953603397 | etot = -30.1215642278857 -184000 ekin = 4.58261674670921 | erot = 4.09854761999454 | epot = -38.3858248419668 | etot = -29.7046604752631 -185000 ekin = 4.61324410405521 | erot = 4.15998485211173 | epot = -38.1895073749226 | etot = -29.4162784187557 -186000 ekin = 4.58712030480558 | erot = 3.80292929559519 | epot = -37.9691363595879 | etot = -29.5790867591871 -187000 ekin = 4.49704057160045 | erot = 3.79953063209059 | epot = -37.7563677349904 | etot = -29.4597965312994 -188000 ekin = 4.67801335458777 | erot = 3.94614018085653 | epot = -37.5596730791519 | etot = -28.9355195437076 -189000 ekin = 4.7263502885126 | erot = 3.9798634268042 | epot = -37.3737961852728 | etot = -28.667582469956 -190000 ekin = 4.70422886783179 | erot = 3.76567525080944 | epot = -37.1968328742627 | etot = -28.7269287556214 -191000 ekin = 4.76615905270464 | erot = 4.11771710042017 | epot = -37.0524866708235 | etot = -28.1686105176987 -192000 ekin = 4.66334615993974 | erot = 4.32180108624847 | epot = -36.9281089002544 | etot = -27.9429616540662 -193000 ekin = 4.5422727261274 | erot = 4.37403333624765 | epot = -36.8106507982273 | etot = -27.8943447358523 -194000 ekin = 4.46258388626876 | erot = 4.57094153868298 | epot = -36.7126835627949 | etot = -27.6791581378432 -195000 ekin = 4.26009039309735 | erot = 5.10893274622639 | epot = -36.6717506302945 | etot = -27.3027274909708 -196000 ekin = 4.24016895096483 | erot = 4.95101320260763 | epot = -36.6607739952161 | etot = -27.4695918416436 -197000 ekin = 4.0755550793312 | erot = 5.33731157611758 | epot = -36.6886082622524 | etot = -27.2757416068037 -198000 ekin = 3.9809171395143 | erot = 5.37374733968369 | epot = -36.7238260637154 | etot = -27.3691615845174 -199000 ekin = 4.00067330792124 | erot = 5.3603518042305 | epot = -36.764372481588 | etot = -27.4033473694362 -200000 ekin = 3.91652525768025 | erot = 4.88675678602841 | epot = -36.7730308398536 | etot = -27.969748796145 -201000 ekin = 3.81609915882248 | erot = 4.31400854830177 | epot = -36.7481890160659 | etot = -28.6180813089416 -202000 ekin = 3.71932569397631 | erot = 4.38569878861448 | epot = -36.6956778034213 | etot = -28.5906533208305 -203000 ekin = 3.64290623072102 | erot = 4.37503789459276 | epot = -36.6304609598591 | etot = -28.6125168345453 -204000 ekin = 3.52854777039998 | erot = 4.29732321046279 | epot = -36.5744389849194 | etot = -28.7485680040566 -205000 ekin = 3.4768831982614 | erot = 4.0520539676819 | epot = -36.5314565547125 | etot = -29.0025193887692 -206000 ekin = 3.57867350058535 | erot = 4.28681914674893 | epot = -36.5152410045854 | etot = -28.6497483572511 -207000 ekin = 3.67789472949151 | erot = 4.07649115773262 | epot = -36.4807964879222 | etot = -28.7264106006981 -208000 ekin = 3.75162300302661 | erot = 3.99412890438543 | epot = -36.4719013777701 | etot = -28.7261494703581 -209000 ekin = 3.82882555477005 | erot = 4.07806686544371 | epot = -36.5274965379161 | etot = -28.6206041177023 -210000 ekin = 3.94589957381378 | erot = 4.05524037388615 | epot = -36.6356567037895 | etot = -28.6345167560895 -211000 ekin = 4.07654365300279 | erot = 3.99406586158679 | epot = -36.7715123193752 | etot = -28.7009028047856 -212000 ekin = 4.2840931333187 | erot = 4.41351434873049 | epot = -36.9240266223073 | etot = -28.2264191402581 -213000 ekin = 4.49200123946036 | erot = 4.57752549048046 | epot = -37.0744914076603 | etot = -28.0049646777194 -214000 ekin = 4.68170470060604 | erot = 4.83486386570169 | epot = -37.2372407583261 | etot = -27.7206721920184 -215000 ekin = 4.98081379617958 | erot = 4.46606343482534 | epot = -37.4068324828889 | etot = -27.959955251884 -216000 ekin = 5.16729766417706 | erot = 4.60318830168444 | epot = -37.5464555705166 | etot = -27.7759696046551 -217000 ekin = 5.38386929678608 | erot = 4.7775249437354 | epot = -37.6405601527452 | etot = -27.4791659122238 -218000 ekin = 5.7058164504659 | erot = 4.70370884810713 | epot = -37.6984019699825 | etot = -27.2888766714095 -219000 ekin = 5.88600523163654 | erot = 4.58694924042796 | epot = -37.7125786046508 | etot = -27.2396241325863 -220000 ekin = 6.15427965489048 | erot = 4.4293131697244 | epot = -37.684602076139 | etot = -27.1010092515241 -221000 ekin = 6.20955938016028 | erot = 4.5400172518757 | epot = -37.6213945439902 | etot = -26.8718179119542 -222000 ekin = 6.245684726226 | erot = 4.97311797105747 | epot = -37.5132484834202 | etot = -26.2944457861367 -223000 ekin = 6.23087495739563 | erot = 4.87026240860726 | epot = -37.4093126450279 | etot = -26.308175279025 -224000 ekin = 6.34215727178204 | erot = 4.95416073100327 | epot = -37.3138628835634 | etot = -26.0175448807781 -225000 ekin = 6.34418551658382 | erot = 4.97197547495996 | epot = -37.2296241301022 | etot = -25.9134631385584 -226000 ekin = 6.27234146176852 | erot = 4.71232076169797 | epot = -37.1649091144301 | etot = -26.1802468909636 -227000 ekin = 6.2978205054749 | erot = 4.6427999636898 | epot = -37.1521034204924 | etot = -26.2114829513277 -228000 ekin = 6.45215375342435 | erot = 4.66543105642573 | epot = -37.1176036705896 | etot = -26.0000188607395 -229000 ekin = 6.57609932445515 | erot = 4.31104294387344 | epot = -37.0319087568372 | etot = -26.1447664885086 -230000 ekin = 6.39415967649336 | erot = 4.16613500609569 | epot = -36.9020701489008 | etot = -26.3417754663118 -231000 ekin = 6.06981997767599 | erot = 4.16164382029996 | epot = -36.7672531588273 | etot = -26.5357893608513 -232000 ekin = 6.07851417086657 | erot = 3.9261416963498 | epot = -36.6287349588698 | etot = -26.6240790916534 -233000 ekin = 5.86578448983439 | erot = 3.89415959164456 | epot = -36.4650343354141 | etot = -26.7050902539352 -234000 ekin = 5.66525736866315 | erot = 3.89419060194094 | epot = -36.3317105619271 | etot = -26.772262591323 -235000 ekin = 5.45947253618461 | erot = 3.51915643493529 | epot = -36.187740376365 | etot = -27.2091114052451 -236000 ekin = 5.23839596197821 | erot = 3.35080370425694 | epot = -36.0601413821494 | etot = -27.4709417159143 -237000 ekin = 5.1101503869311 | erot = 3.41418634041018 | epot = -35.9797234474537 | etot = -27.4553867201124 -238000 ekin = 5.07705507560338 | erot = 3.55422258848856 | epot = -35.9558941013151 | etot = -27.3246164372232 -239000 ekin = 5.11036683512679 | erot = 3.60903830571299 | epot = -35.9686036709473 | etot = -27.2491985301075 -240000 ekin = 5.05273101840571 | erot = 3.85355249273444 | epot = -36.0380166955235 | etot = -27.1317331843833 -241000 ekin = 5.09369536459432 | erot = 3.64338000437258 | epot = -36.1343234897528 | etot = -27.3972481207859 -242000 ekin = 5.26488817621371 | erot = 4.01055195692819 | epot = -36.2412063129132 | etot = -26.9657661797713 -243000 ekin = 5.23195261673081 | erot = 4.46546566729792 | epot = -36.3456054296423 | etot = -26.6481871456136 -244000 ekin = 5.2263873943456 | erot = 4.31088904489877 | epot = -36.4415840114132 | etot = -26.9043075721688 -245000 ekin = 5.4485313703965 | erot = 4.1760797727831 | epot = -36.5182986507186 | etot = -26.893687507539 -246000 ekin = 5.514569703999 | erot = 3.74595442038546 | epot = -36.5760003166759 | etot = -27.3154761922915 -247000 ekin = 5.60809096900033 | erot = 4.1530771765417 | epot = -36.6102851986095 | etot = -26.8491170530675 -248000 ekin = 5.44607700345191 | erot = 4.00137483235474 | epot = -36.6173189081378 | etot = -27.1698670723311 -249000 ekin = 5.39824066997525 | erot = 4.00527284085329 | epot = -36.6178595818605 | etot = -27.214346071032 -250000 ekin = 5.40591864200742 | erot = 3.83152692098416 | epot = -36.5913298844141 | etot = -27.3538843214225 -251000 ekin = 5.42515843147862 | erot = 3.74120297831913 | epot = -36.5372880481642 | etot = -27.3709266383664 -252000 ekin = 5.47125756589202 | erot = 3.93923600749381 | epot = -36.471810314552 | etot = -27.0613167411661 -253000 ekin = 5.45280164405867 | erot = 4.07788577485892 | epot = -36.3971958399348 | etot = -26.8665084210172 -254000 ekin = 5.3513601049315 | erot = 4.05065697891602 | epot = -36.3208515747322 | etot = -26.9188344908847 -255000 ekin = 5.26929844479146 | erot = 3.99546469631083 | epot = -36.2503502909161 | etot = -26.9855871498138 -256000 ekin = 5.28023678974977 | erot = 4.22040986008186 | epot = -36.1946445254543 | etot = -26.6939978756227 -257000 ekin = 5.06048081748216 | erot = 4.23177072888008 | epot = -36.1310700373968 | etot = -26.8388184910345 -258000 ekin = 5.04266904507247 | erot = 4.32321520328045 | epot = -36.0647093578741 | etot = -26.6988251095212 -259000 ekin = 4.83091830266297 | erot = 4.34656742782648 | epot = -36.0089991272053 | etot = -26.8315133967159 -260000 ekin = 4.8366999116753 | erot = 4.25709648660373 | epot = -35.9697036974581 | etot = -26.8759072991791 -261000 ekin = 4.77396719262911 | erot = 4.09292214976309 | epot = -35.9054139064698 | etot = -27.0385245640776 -262000 ekin = 4.66601270858316 | erot = 3.73102576614686 | epot = -35.8157479345083 | etot = -27.4187094597782 -263000 ekin = 4.5802706196014 | erot = 3.74679758350907 | epot = -35.763125473781 | etot = -27.4360572706705 -264000 ekin = 4.65921569864806 | erot = 3.90501973344001 | epot = -35.7356757776833 | etot = -27.1714403455952 -265000 ekin = 4.67586149937246 | erot = 3.94654925905539 | epot = -35.7049387943745 | etot = -27.0825280359466 -266000 ekin = 4.69584694538507 | erot = 3.98055672084537 | epot = -35.6673176149256 | etot = -26.9909139486952 -267000 ekin = 4.78499421532903 | erot = 4.03648169158355 | epot = -35.6392507408887 | etot = -26.8177748339762 -268000 ekin = 4.84316914009027 | erot = 3.99860778002458 | epot = -35.6448334716846 | etot = -26.8030565515698 -269000 ekin = 4.90837806472302 | erot = 4.04652570535924 | epot = -35.649642070165 | etot = -26.6947383000828 -270000 ekin = 4.78579400655265 | erot = 4.34179455226949 | epot = -35.6115561484003 | etot = -26.4839675895782 -271000 ekin = 4.85153732395756 | erot = 3.76641259729531 | epot = -35.6137753066569 | etot = -26.9958253854041 -272000 ekin = 4.97803664593748 | erot = 4.19853764559909 | epot = -35.6642256780782 | etot = -26.4876513865416 -273000 ekin = 4.99431287425834 | erot = 4.16775756950281 | epot = -35.7125500141222 | etot = -26.550479570361 -274000 ekin = 5.02755533075287 | erot = 4.06015777810463 | epot = -35.7335253506929 | etot = -26.6458122418354 -275000 ekin = 4.96372481963251 | erot = 4.27522667590908 | epot = -35.7375976828855 | etot = -26.4986461873439 -276000 ekin = 5.07934127118672 | erot = 4.03884457577096 | epot = -35.7684807851678 | etot = -26.6502949382101 -277000 ekin = 5.11065676525152 | erot = 3.89593355388432 | epot = -35.8299825238661 | etot = -26.8233922047303 -278000 ekin = 5.1443449346496 | erot = 4.10431801630134 | epot = -35.9156424264972 | etot = -26.6669794755462 -279000 ekin = 5.13854043459778 | erot = 3.33687958464079 | epot = -35.956728093981 | etot = -27.4813080747424 -280000 ekin = 5.13698711985589 | erot = 3.1321095347808 | epot = -35.9663254349012 | etot = -27.6972287802645 -281000 ekin = 5.12014323326413 | erot = 3.01072130069925 | epot = -35.9687821467587 | etot = -27.8379176127953 -282000 ekin = 5.07487298196239 | erot = 2.78222371236679 | epot = -35.9666224009215 | etot = -28.1095257065923 -283000 ekin = 4.93728532174466 | erot = 2.51682526487924 | epot = -36.0092096947436 | etot = -28.5550991081197 -284000 ekin = 5.10799487537405 | erot = 2.3440616424374 | epot = -36.0766867016227 | etot = -28.6246301838113 -285000 ekin = 5.21438921803052 | erot = 2.42355410917329 | epot = -36.1686025783616 | etot = -28.5306592511578 -286000 ekin = 5.22674428893651 | erot = 2.43127546535983 | epot = -36.2811716154221 | etot = -28.6231518611258 -287000 ekin = 5.42842235635998 | erot = 2.80110266939557 | epot = -36.3926299688273 | etot = -28.1631049430717 -288000 ekin = 5.53841609379908 | erot = 3.04198571498586 | epot = -36.5118610231699 | etot = -27.9314592143849 -289000 ekin = 5.34670403011154 | erot = 3.09938875481729 | epot = -36.6304827875401 | etot = -28.1843900026112 -290000 ekin = 5.34231674745526 | erot = 3.31160144161424 | epot = -36.7456392368764 | etot = -28.0917210478069 -291000 ekin = 5.36188526202275 | erot = 3.45917476353447 | epot = -36.830253723617 | etot = -28.0091936980598 -292000 ekin = 5.47780509141236 | erot = 3.77906726321862 | epot = -36.8842491471661 | etot = -27.6273767925352 -293000 ekin = 5.28302000096918 | erot = 3.57818629599089 | epot = -36.8949841799428 | etot = -28.0337778829827 -294000 ekin = 5.30853543438887 | erot = 3.56263204697633 | epot = -36.882573669786 | etot = -28.0114061884208 -295000 ekin = 5.20536069491219 | erot = 3.77206495855704 | epot = -36.8703913967999 | etot = -27.8929657433306 -296000 ekin = 5.16948391824644 | erot = 3.64242202500146 | epot = -36.8524591521913 | etot = -28.0405532089434 -297000 ekin = 5.1494869829345 | erot = 3.56300071318446 | epot = -36.8077681088429 | etot = -28.0952804127239 -298000 ekin = 5.07831718808035 | erot = 3.56647326916626 | epot = -36.744195155603 | etot = -28.0994046983564 -299000 ekin = 5.07638833142117 | erot = 3.33911289208767 | epot = -36.7050879472256 | etot = -28.2895867237168 -300000 ekin = 5.03413727775456 | erot = 3.74853034027389 | epot = -36.6636621891816 | etot = -27.8809945711531 -301000 ekin = 4.97235848835814 | erot = 3.32835758650091 | epot = -36.6711630757892 | etot = -28.3704470009301 -302000 ekin = 5.00968958710056 | erot = 3.04854259478488 | epot = -36.7093256921451 | etot = -28.6510935102597 -303000 ekin = 5.1292911047111 | erot = 3.0802372254873 | epot = -36.795184172806 | etot = -28.5856558426076 -304000 ekin = 5.16690416140478 | erot = 3.34049274709003 | epot = -36.9126194047394 | etot = -28.4052224962446 -305000 ekin = 5.23349789631498 | erot = 3.46551744359711 | epot = -37.0448370009157 | etot = -28.3458216610036 -306000 ekin = 5.28860974527375 | erot = 3.56105103024499 | epot = -37.1811985422458 | etot = -28.331537766727 -307000 ekin = 5.40125295123197 | erot = 3.87520415097952 | epot = -37.305532344159 | etot = -28.0290752419475 -308000 ekin = 5.46740727789042 | erot = 3.91865002312578 | epot = -37.3892778155261 | etot = -28.0032205145099 -309000 ekin = 5.43990046762827 | erot = 4.00265425349897 | epot = -37.4336308324244 | etot = -27.9910761112972 -310000 ekin = 5.38744019614258 | erot = 3.91760045067575 | epot = -37.4766997166651 | etot = -28.1716590698468 -311000 ekin = 5.54869794564892 | erot = 3.97913763348738 | epot = -37.5380640420292 | etot = -28.0102284628929 -312000 ekin = 5.71519006739901 | erot = 4.09263126769853 | epot = -37.5745318459447 | etot = -27.7667105108472 -313000 ekin = 5.6033160766113 | erot = 3.83543196463871 | epot = -37.6101139619699 | etot = -28.1713659207199 -314000 ekin = 5.51800417081449 | erot = 3.7494474523441 | epot = -37.6279066647947 | etot = -28.3604550416361 -315000 ekin = 5.47833005901023 | erot = 4.08581993263846 | epot = -37.640612435341 | etot = -28.0764624436923 -316000 ekin = 5.33860837296314 | erot = 4.51116644302074 | epot = -37.6217312448188 | etot = -27.7719564288349 -317000 ekin = 5.23941916557637 | erot = 4.78689518832666 | epot = -37.5731600528526 | etot = -27.5468456989496 -318000 ekin = 5.11187775633096 | erot = 4.82958812680045 | epot = -37.5155006216097 | etot = -27.5740347384783 -319000 ekin = 5.22954347525673 | erot = 4.49457407004902 | epot = -37.4371163833057 | etot = -27.7129988379999 -320000 ekin = 5.30878948863381 | erot = 4.92186054084637 | epot = -37.3586788029377 | etot = -27.1280287734575 -321000 ekin = 5.25051542685381 | erot = 4.81963950413314 | epot = -37.312294527991 | etot = -27.242139597004 -322000 ekin = 5.07574443571145 | erot = 4.74007360204254 | epot = -37.2420599117425 | etot = -27.4262418739885 -323000 ekin = 5.02653253509398 | erot = 4.66604787555051 | epot = -37.1620424354781 | etot = -27.4694620248336 -324000 ekin = 5.12999279273078 | erot = 4.55456244400836 | epot = -37.1081993843437 | etot = -27.4236441476046 -325000 ekin = 5.01484863365284 | erot = 5.03270116093522 | epot = -37.0549970668846 | etot = -27.0074472722965 -326000 ekin = 5.15105125743379 | erot = 4.77726330645663 | epot = -37.0062804471441 | etot = -27.0779658832536 -327000 ekin = 5.17373663939365 | erot = 4.75720955177068 | epot = -36.9735735310227 | etot = -27.0426273398583 -328000 ekin = 5.3265809986393 | erot = 4.45847251670642 | epot = -36.9463177254327 | etot = -27.161264210087 -329000 ekin = 5.28491385975242 | erot = 4.2365002087062 | epot = -36.9151642788529 | etot = -27.3937502103943 -330000 ekin = 5.12552135481241 | erot = 4.79027984581669 | epot = -36.8863179466156 | etot = -26.9705167459865 -331000 ekin = 5.12103290586646 | erot = 5.03778117543897 | epot = -36.8413630474537 | etot = -26.6825489661482 -332000 ekin = 5.06929714597599 | erot = 4.90820597157558 | epot = -36.7488012231943 | etot = -26.7712981056427 -333000 ekin = 4.96505468499544 | erot = 5.01335794632771 | epot = -36.6271163009906 | etot = -26.6487036696675 -334000 ekin = 4.99343125906637 | erot = 5.01439694959174 | epot = -36.5036049758879 | etot = -26.4957767672298 -335000 ekin = 4.90069371729849 | erot = 4.54385275511644 | epot = -36.377759964637 | etot = -26.9332134922221 -336000 ekin = 5.07863725672843 | erot = 4.69305135725114 | epot = -36.2629152842743 | etot = -26.4912266702948 -337000 ekin = 4.94799955754099 | erot = 4.52583833193054 | epot = -36.1612360033446 | etot = -26.6873981138731 -338000 ekin = 4.85224868200247 | erot = 4.50041298245536 | epot = -36.0752991866368 | etot = -26.7226375221789 -339000 ekin = 4.72144640536392 | erot = 4.54752039051201 | epot = -35.9970632546959 | etot = -26.7280964588199 -340000 ekin = 4.80943098922142 | erot = 4.34708343509477 | epot = -35.9687361528339 | etot = -26.8122217285177 -341000 ekin = 4.70361214653912 | erot = 4.47793300498467 | epot = -35.9999322617892 | etot = -26.8183871102654 -342000 ekin = 4.760647614817 | erot = 4.66605256976235 | epot = -36.043378412271 | etot = -26.6166782276917 -343000 ekin = 4.67728032528815 | erot = 4.66100839176406 | epot = -35.9211632159817 | etot = -26.5828744989295 -344000 ekin = 4.96339724601292 | erot = 4.93823124551203 | epot = -36.221225061482 | etot = -26.3195965699571 -345000 ekin = 4.92216540601213 | erot = 5.1046016577438 | epot = -36.3841924486031 | etot = -26.3574253848472 -346000 ekin = 4.99792813974919 | erot = 4.77882820289924 | epot = -36.4406602112532 | etot = -26.6639038686048 -347000 ekin = 4.97738387739169 | erot = 4.57238123569558 | epot = -36.4353446283207 | etot = -26.8855795152334 -348000 ekin = 4.92451917191373 | erot = 4.32330547944782 | epot = -36.3741726686484 | etot = -27.1263480172868 -349000 ekin = 4.79018344488603 | erot = 4.64955099606439 | epot = -36.223205179622 | etot = -26.7834707386715 -350000 ekin = 4.74997485376182 | erot = 4.41441619332993 | epot = -36.0086530481282 | etot = -26.8442620010365 -351000 ekin = 4.65861306362181 | erot = 4.54712008187925 | epot = -35.7312651155864 | etot = -26.5255319700854 -352000 ekin = 4.64876538273227 | erot = 4.76138349321479 | epot = -35.450636936112 | etot = -26.0404880601649 -353000 ekin = 4.59253342081085 | erot = 4.29456686626191 | epot = -35.1553683981329 | etot = -26.2682681110601 -354000 ekin = 4.5381016314927 | erot = 4.43945254667789 | epot = -34.9111484982536 | etot = -25.933594320083 -355000 ekin = 4.47391617267677 | erot = 4.20275229581173 | epot = -34.7382448152821 | etot = -26.0615763467936 -356000 ekin = 4.33084740359937 | erot = 4.16589789857719 | epot = -34.645946257664 | etot = -26.1492009554875 -357000 ekin = 4.27639689643637 | erot = 4.49834201135572 | epot = -34.623409347858 | etot = -25.848670440066 -358000 ekin = 4.37058163127658 | erot = 4.62827517810171 | epot = -34.660122927085 | etot = -25.6612661177067 -359000 ekin = 4.33282658147941 | erot = 4.3585277169614 | epot = -34.7355034140379 | etot = -26.0441491155971 -360000 ekin = 4.2302574599471 | erot = 3.73692187296606 | epot = -34.8272714416459 | etot = -26.8600921087327 -361000 ekin = 4.32772510308598 | erot = 3.40799158120822 | epot = -34.9260321184263 | etot = -27.1903154341322 -362000 ekin = 4.43772207587162 | erot = 3.9282425665155 | epot = -35.0362517129443 | etot = -26.6702870705572 -363000 ekin = 4.60059512711759 | erot = 3.7852782080073 | epot = -35.1492303885082 | etot = -26.7633570533833 -364000 ekin = 4.67620778921833 | erot = 3.65656363115961 | epot = -35.2108467629343 | etot = -26.8780753425564 -365000 ekin = 4.68744796027403 | erot = 3.48647035761076 | epot = -35.2579291425392 | etot = -27.0840108246544 -366000 ekin = 4.63171694657446 | erot = 3.80732263161716 | epot = -35.3317328424945 | etot = -26.8926932643029 -367000 ekin = 4.58794520776148 | erot = 4.31664541166342 | epot = -35.411407687399 | etot = -26.5068170679741 -368000 ekin = 4.53697760644357 | erot = 4.37812449310863 | epot = -35.4654560531489 | etot = -26.5503539535967 -369000 ekin = 4.50593348762471 | erot = 4.09682529638636 | epot = -35.502904475486 | etot = -26.9001456914749 -370000 ekin = 4.51011536275126 | erot = 4.41695795738184 | epot = -35.5220659543718 | etot = -26.5949926342387 -371000 ekin = 4.53049860135433 | erot = 4.68112317413008 | epot = -35.5213297387008 | etot = -26.3097079632164 -372000 ekin = 4.42660066351885 | erot = 4.78148611859358 | epot = -35.5227844835439 | etot = -26.3146977014315 -373000 ekin = 4.28146792836402 | erot = 4.87997662616423 | epot = -35.4825501780567 | etot = -26.3211056235285 -374000 ekin = 4.13287464156697 | erot = 4.84001159820239 | epot = -35.4523011025149 | etot = -26.4794148627455 -375000 ekin = 4.1254545194713 | erot = 4.8180743382467 | epot = -35.4637375699461 | etot = -26.5202087122281 -376000 ekin = 3.87506271806603 | erot = 5.35141111797724 | epot = -35.4720072259952 | etot = -26.2455333899519 -377000 ekin = 3.7977056590801 | erot = 5.28013401771242 | epot = -35.5177354201969 | etot = -26.4398957434044 -378000 ekin = 3.64048261255653 | erot = 5.42072423796152 | epot = -35.5808236384767 | etot = -26.5196167879587 -379000 ekin = 3.52386111576647 | erot = 5.97567004606738 | epot = -35.6532146067625 | etot = -26.1536834449286 -380000 ekin = 3.32387900413189 | erot = 6.59135162244889 | epot = -35.7551331169142 | etot = -25.8399024903334 -381000 ekin = 3.31695717077463 | erot = 6.10983514346576 | epot = -35.8815158952862 | etot = -26.4547235810458 -382000 ekin = 3.19546651526133 | erot = 6.36489840256999 | epot = -35.9926058393689 | etot = -26.4322409215376 -383000 ekin = 3.24368169764623 | erot = 6.33114976953635 | epot = -36.0664601033037 | etot = -26.4916286361211 -384000 ekin = 3.20726412806439 | erot = 6.19392941274155 | epot = -36.13258109202 | etot = -26.7313875512141 -385000 ekin = 3.23885859839814 | erot = 6.31552666314694 | epot = -36.1503271354803 | etot = -26.5959418739352 -386000 ekin = 3.16874411708083 | erot = 5.94413881699879 | epot = -36.1310192334958 | etot = -27.0181362994162 -387000 ekin = 3.1549970524927 | erot = 5.48308596050834 | epot = -36.0714221491829 | etot = -27.4333391361819 -388000 ekin = 3.24907989403076 | erot = 5.58200944567837 | epot = -35.9925882356966 | etot = -27.1614988959874 -389000 ekin = 3.39871525437769 | erot = 5.14342534967113 | epot = -35.9262739307719 | etot = -27.384133326723 -390000 ekin = 3.53157771561222 | erot = 5.0660110699086 | epot = -35.908983793516 | etot = -27.3113950079952 -391000 ekin = 3.64602168736988 | erot = 4.88661504875141 | epot = -35.885482230409 | etot = -27.3528454942877 -392000 ekin = 3.79325143536366 | erot = 5.07292816992986 | epot = -35.8524207546015 | etot = -26.986241149308 -393000 ekin = 3.89148460233114 | erot = 5.02930522203665 | epot = -35.795122258631 | etot = -26.8743324342632 -394000 ekin = 3.96458882833181 | erot = 4.47630346760488 | epot = -35.7247928997471 | etot = -27.2839006038104 -395000 ekin = 4.03856036181308 | erot = 4.53784941780792 | epot = -35.6586367417738 | etot = -27.0822269621528 -396000 ekin = 3.99683646706711 | erot = 4.49727898211262 | epot = -35.5718421340357 | etot = -27.077726684856 -397000 ekin = 4.03872005304138 | erot = 4.03153022392527 | epot = -35.5101946272741 | etot = -27.4399443503075 -398000 ekin = 4.01516330520003 | erot = 4.23226303701241 | epot = -35.4578715559685 | etot = -27.2104452137561 -399000 ekin = 4.01922616565289 | erot = 3.71642260619024 | epot = -35.3548490578807 | etot = -27.6192002860376 -400000 ekin = 4.17225085372102 | erot = 4.04093039429602 | epot = -35.2265510847563 | etot = -27.0133698367392 -401000 ekin = 4.1531499643259 | erot = 3.64804961209453 | epot = -35.0943512868027 | etot = -27.2931517103823 -402000 ekin = 4.20245298417996 | erot = 3.70137380667448 | epot = -34.9745627237163 | etot = -27.0707359328619 -403000 ekin = 4.34132456228991 | erot = 3.62891618665791 | epot = -34.8718657472304 | etot = -26.9016249982826 -404000 ekin = 4.42465890243367 | erot = 3.38938035287143 | epot = -34.7967250831428 | etot = -26.9826858278377 -405000 ekin = 4.60663041953486 | erot = 3.44054758174463 | epot = -34.7925257887161 | etot = -26.7453477874366 -406000 ekin = 4.73346375173126 | erot = 3.27915256113194 | epot = -34.8343083282573 | etot = -26.8216920153941 -407000 ekin = 4.82559135473415 | erot = 3.35253133282322 | epot = -34.9059066553788 | etot = -26.7277839678214 -408000 ekin = 4.89298564336964 | erot = 3.47339817729183 | epot = -34.9848536782083 | etot = -26.6184698575468 -409000 ekin = 4.94069048180851 | erot = 3.76649967413607 | epot = -35.0728065521172 | etot = -26.3656163961726 -410000 ekin = 5.0837627829781 | erot = 3.48855890171053 | epot = -35.187607935011 | etot = -26.6152862503224 -411000 ekin = 5.10492342399056 | erot = 3.39152717909369 | epot = -35.2939784996981 | etot = -26.7975278966138 -412000 ekin = 5.2111592148929 | erot = 3.62435455589215 | epot = -35.3853247581651 | etot = -26.54981098738 -413000 ekin = 5.25687541732572 | erot = 3.76308251202569 | epot = -35.4593584594661 | etot = -26.4394005301146 -414000 ekin = 5.1324847249699 | erot = 3.31025282824723 | epot = -35.5393093363061 | etot = -27.0965717830889 -415000 ekin = 5.09217261574528 | erot = 3.59401320391361 | epot = -35.6051617924017 | etot = -26.9189759727428 -416000 ekin = 5.04807348985225 | erot = 3.48392073248423 | epot = -35.6748296719198 | etot = -27.1428354495833 -417000 ekin = 4.99138526936748 | erot = 3.46255923404135 | epot = -35.7531502554471 | etot = -27.2992057520383 -418000 ekin = 5.08999508315138 | erot = 3.44390708246943 | epot = -35.8333696081094 | etot = -27.2994674424886 -419000 ekin = 5.21842750435985 | erot = 3.38325168590963 | epot = -35.8593643490784 | etot = -27.2576851588089 -420000 ekin = 5.28947719533168 | erot = 3.50797044377656 | epot = -35.8848039905133 | etot = -27.0873563514051 -421000 ekin = 5.35268927232197 | erot = 3.36603650801233 | epot = -35.8749221051677 | etot = -27.1561963248334 -422000 ekin = 5.23695191026875 | erot = 3.5384192070691 | epot = -35.889640869454 | etot = -27.1142697521161 -423000 ekin = 5.09577504756812 | erot = 3.67923583037239 | epot = -35.9137595336543 | etot = -27.1387486557138 -424000 ekin = 5.01335188113047 | erot = 3.70110718137013 | epot = -35.9185617531989 | etot = -27.2041026906983 -425000 ekin = 5.05206155589306 | erot = 3.57652002072429 | epot = -35.9081181462489 | etot = -27.2795365696316 -426000 ekin = 4.96532396129214 | erot = 3.38938274590534 | epot = -35.8769982527922 | etot = -27.5222915455948 -427000 ekin = 4.77195218714309 | erot = 3.50252627514185 | epot = -35.7935414010628 | etot = -27.5190629387779 -428000 ekin = 4.81068646615448 | erot = 3.51825958765431 | epot = -35.6664317412178 | etot = -27.337485687409 -429000 ekin = 4.73870321335492 | erot = 3.84986931063852 | epot = -35.48737645591 | etot = -26.8988039319166 -430000 ekin = 4.60213714825158 | erot = 3.45284870606443 | epot = -35.3073410925574 | etot = -27.2523552382414 -431000 ekin = 4.57358006593925 | erot = 3.25422348182535 | epot = -35.1367594918962 | etot = -27.3089559441316 -432000 ekin = 4.5072400368044 | erot = 3.29998192315337 | epot = -35.0290425710883 | etot = -27.2218206111306 -433000 ekin = 4.30860495703181 | erot = 3.42741416873389 | epot = -34.9513402987262 | etot = -27.2153211729605 -434000 ekin = 4.18610269286835 | erot = 3.55059973000668 | epot = -34.9144648758603 | etot = -27.1777624529852 -435000 ekin = 4.12003359590273 | erot = 3.78033374370969 | epot = -34.8780591099565 | etot = -26.9776917703441 -436000 ekin = 3.97313974106111 | erot = 4.05117020636312 | epot = -34.8427841720093 | etot = -26.8184742245851 -437000 ekin = 3.88596008320741 | erot = 4.32902730056047 | epot = -34.8121331683379 | etot = -26.59714578457 -438000 ekin = 4.0300322104638 | erot = 4.35508047283467 | epot = -34.7917492531093 | etot = -26.4066365698108 -439000 ekin = 4.04655148511089 | erot = 4.17322604141044 | epot = -34.7786348227552 | etot = -26.5588572962338 -440000 ekin = 4.02801522674428 | erot = 4.13470601724877 | epot = -34.783993085415 | etot = -26.621271841422 -441000 ekin = 3.9407814794189 | erot = 4.22144190117305 | epot = -34.8185771480924 | etot = -26.6563537675004 -442000 ekin = 3.97730990695624 | erot = 4.24233406975314 | epot = -34.8718962191131 | etot = -26.6522522424037 -443000 ekin = 3.98508138243203 | erot = 4.16122580291752 | epot = -34.9266782585657 | etot = -26.7803710732162 -444000 ekin = 4.00042709081881 | erot = 4.50741850480051 | epot = -34.9630696153483 | etot = -26.455224019729 -445000 ekin = 4.02620459576009 | erot = 4.64580325300967 | epot = -34.9893039643633 | etot = -26.3172961155935 -446000 ekin = 4.01454608720561 | erot = 4.89747165518573 | epot = -34.9969089036747 | etot = -26.0848911612834 -447000 ekin = 3.9634269487331 | erot = 4.85867800390581 | epot = -34.9830933662453 | etot = -26.1609884136064 -448000 ekin = 3.74592315828131 | erot = 5.17578433357899 | epot = -34.9638816619607 | etot = -26.0421741701004 -449000 ekin = 3.73316291077397 | erot = 5.18498661281911 | epot = -34.928043894125 | etot = -26.0098943705319 -450000 ekin = 3.85313039093471 | erot = 4.86926583888851 | epot = -34.871696979835 | etot = -26.1493007500118 -451000 ekin = 4.0635928053116 | erot = 4.99817049859077 | epot = -34.8377147695102 | etot = -25.7759514656078 -452000 ekin = 4.12215980217323 | erot = 4.58488292412152 | epot = -34.8398353293668 | etot = -26.132792603072 -453000 ekin = 4.16332842884585 | erot = 4.32671008371169 | epot = -34.8570499988891 | etot = -26.3670114863315 -454000 ekin = 4.11754892618458 | erot = 4.47415692336241 | epot = -34.8913194738516 | etot = -26.2996136243046 -455000 ekin = 4.22185774995392 | erot = 4.65517828169302 | epot = -34.9334347985056 | etot = -26.0563987668587 -456000 ekin = 4.30177202276186 | erot = 4.77747798616555 | epot = -35.0188770940117 | etot = -25.9396270850843 -457000 ekin = 4.26451460758692 | erot = 4.69009499467403 | epot = -35.1021143238335 | etot = -26.1475047215725 -458000 ekin = 4.31289289804826 | erot = 4.48148846421096 | epot = -35.1135359976452 | etot = -26.319154635386 -459000 ekin = 4.40924309472913 | erot = 4.70052929057904 | epot = -35.3709113999322 | etot = -26.261139014624 -460000 ekin = 4.47691183250362 | erot = 4.50574141189091 | epot = -35.566195356935 | etot = -26.5835421125405 -461000 ekin = 4.43873436995047 | erot = 4.99077626254052 | epot = -35.6310455171601 | etot = -26.2015348846691 -462000 ekin = 4.38932525316334 | erot = 4.94989100042744 | epot = -35.7174404682251 | etot = -26.3782242146343 -463000 ekin = 4.36115268480756 | erot = 5.66229263914062 | epot = -35.7828736923833 | etot = -25.7594283684351 -464000 ekin = 4.32411863133059 | erot = 5.21874712373015 | epot = -35.831817418358 | etot = -26.2889516632972 -465000 ekin = 4.25283049437785 | erot = 4.89311928407883 | epot = -35.8307748329822 | etot = -26.6848250545255 -466000 ekin = 3.97961054012127 | erot = 4.30523919521546 | epot = -35.8019205162795 | etot = -27.5170707809428 -467000 ekin = 3.96957942645049 | erot = 4.02414635207156 | epot = -35.7935881476328 | etot = -27.7998623691107 -468000 ekin = 3.81067149059023 | erot = 3.91311573890038 | epot = -35.8192046044613 | etot = -28.0954173749707 -469000 ekin = 3.82956653035844 | erot = 3.76358708523021 | epot = -35.8554657317423 | etot = -28.2623121161536 -470000 ekin = 3.84315155222981 | erot = 3.46319185355953 | epot = -35.9283028420635 | etot = -28.6219594362741 -471000 ekin = 3.84189885920186 | erot = 3.51787257644774 | epot = -36.0370536568174 | etot = -28.6772822211678 -472000 ekin = 3.86861114122289 | erot = 3.36458500068021 | epot = -36.136832298983 | etot = -28.9036361570799 -473000 ekin = 3.73700168734163 | erot = 3.58329228877658 | epot = -36.2233655143198 | etot = -28.9030715382016 -474000 ekin = 3.82928273613466 | erot = 3.70070391401449 | epot = -36.2919855352817 | etot = -28.7619988851326 -475000 ekin = 3.89544030959981 | erot = 3.76401640046676 | epot = -36.368430738898 | etot = -28.7089740288314 -476000 ekin = 4.08932767113311 | erot = 3.7090790175484 | epot = -36.4684310716285 | etot = -28.670024382947 -477000 ekin = 4.15334136664067 | erot = 3.70899967496142 | epot = -36.5311600367317 | etot = -28.6688189951296 -478000 ekin = 4.07512882728801 | erot = 3.80913887771278 | epot = -36.5715417700018 | etot = -28.687274065001 -479000 ekin = 3.96184225144662 | erot = 3.67584263229307 | epot = -36.6049454628497 | etot = -28.96726057911 -480000 ekin = 3.86072911979592 | erot = 3.85211085064263 | epot = -36.6106292252495 | etot = -28.897789254811 -481000 ekin = 3.78563823255482 | erot = 4.02431409923187 | epot = -36.604468258428 | etot = -28.7945159266413 -482000 ekin = 3.81986353724767 | erot = 3.94457553240232 | epot = -36.555624249585 | etot = -28.791185179935 -483000 ekin = 3.91937069686989 | erot = 3.97985471481289 | epot = -36.4953515335722 | etot = -28.5961261218894 -484000 ekin = 3.90565472316258 | erot = 3.68508276016124 | epot = -36.4265142327187 | etot = -28.8357767493949 -485000 ekin = 3.97067640669119 | erot = 3.52818833629898 | epot = -36.3385351029671 | etot = -28.8396703599769 -486000 ekin = 4.08924338068637 | erot = 3.45150371793016 | epot = -36.2407040808275 | etot = -28.699956982211 -487000 ekin = 4.0776172953027 | erot = 3.69577064303949 | epot = -36.1174543397059 | etot = -28.3440664013637 -488000 ekin = 3.98120330041654 | erot = 4.01179749212316 | epot = -35.9662140009108 | etot = -27.9732132083711 -489000 ekin = 3.94304108511277 | erot = 4.09948585344473 | epot = -35.8365811443669 | etot = -27.7940542058094 -490000 ekin = 3.98200750178095 | erot = 4.1933065556559 | epot = -35.7436522395692 | etot = -27.5683381821323 -491000 ekin = 4.04453601319225 | erot = 4.06864604679556 | epot = -35.6813038605047 | etot = -27.5681218005169 -492000 ekin = 4.10478194610714 | erot = 4.27931273272371 | epot = -35.6201850620968 | etot = -27.2360903832659 -493000 ekin = 4.14218811078641 | erot = 4.30328516242947 | epot = -35.552932172172 | etot = -27.1074588989561 -494000 ekin = 4.15483197917405 | erot = 4.22087230768693 | epot = -35.5007035923698 | etot = -27.1249993055088 -495000 ekin = 4.26671892357318 | erot = 4.21745137304138 | epot = -35.4450128389798 | etot = -26.9608425423653 -496000 ekin = 4.42373869014847 | erot = 3.65535322096903 | epot = -35.3933064942827 | etot = -27.3142145831652 -497000 ekin = 4.57363309591063 | erot = 3.63766344362447 | epot = -35.3630685420949 | etot = -27.1517720025598 -498000 ekin = 4.7241733979428 | erot = 3.40665904233516 | epot = -35.3570714026385 | etot = -27.2262389623605 -499000 ekin = 4.76806375994875 | erot = 3.58204839805272 | epot = -35.3646341268585 | etot = -27.014521968857 -500000 ekin = 4.86803273232483 | erot = 3.40069391727023 | epot = -35.4199817543268 | etot = -27.1512551047318 -501000 ekin = 4.96743307602627 | erot = 3.46724128896305 | epot = -35.4970649677118 | etot = -27.0623906027225 -502000 ekin = 4.91929166862615 | erot = 3.57165212036678 | epot = -35.5889625489512 | etot = -27.0980187599583 -503000 ekin = 4.90703913138678 | erot = 3.86458875313933 | epot = -35.6771862828227 | etot = -26.9055583982966 -504000 ekin = 5.1370533506199 | erot = 3.5369546296831 | epot = -35.7347477259461 | etot = -27.0607397456431 -505000 ekin = 5.23249143944225 | erot = 3.46343104093314 | epot = -35.7820571844966 | etot = -27.0861347041212 -506000 ekin = 5.11675278315717 | erot = 3.7206718650993 | epot = -35.8198968197658 | etot = -26.9824721715093 -507000 ekin = 5.1899390138749 | erot = 4.15215085847695 | epot = -35.8269271672396 | etot = -26.4848372948877 -508000 ekin = 4.9859787822663 | erot = 4.11598571893968 | epot = -35.7826195676286 | etot = -26.6806550664226 -509000 ekin = 4.8941242567771 | erot = 4.30807642739895 | epot = -35.6890852058564 | etot = -26.4868845216804 -510000 ekin = 4.89504815269032 | erot = 4.46013837584195 | epot = -35.5893215666418 | etot = -26.2341350381096 -511000 ekin = 4.85835750083421 | erot = 4.41721118692693 | epot = -35.4748886415727 | etot = -26.1993199538116 -512000 ekin = 4.85632567302005 | erot = 4.58501467870099 | epot = -35.3170557845382 | etot = -25.8757154328171 -513000 ekin = 4.79088228903437 | erot = 4.4189824922301 | epot = -35.1398620511889 | etot = -25.9299972699244 -514000 ekin = 4.84082723167344 | erot = 4.10048582144436 | epot = -34.952894027941 | etot = -26.0115809748232 -515000 ekin = 4.66396867258937 | erot = 3.7079532547263 | epot = -34.8081323279133 | etot = -26.4362104005976 -516000 ekin = 4.4520372226043 | erot = 3.7424161749218 | epot = -34.7399422586774 | etot = -26.5454888611513 -517000 ekin = 4.39320763550332 | erot = 3.61293763489243 | epot = -34.7115969229745 | etot = -26.7054516525788 -518000 ekin = 4.3351626742312 | erot = 3.46685163663689 | epot = -34.7205591716219 | etot = -26.9185448607538 -519000 ekin = 4.32678001120832 | erot = 3.8333130859946 | epot = -34.7543932584755 | etot = -26.5943001612725 -520000 ekin = 4.16017569753314 | erot = 3.99442103376417 | epot = -34.7797387277815 | etot = -26.6251419964842 -521000 ekin = 4.01091284601602 | erot = 4.71227661622732 | epot = -34.8119764016188 | etot = -26.0887869393754 -522000 ekin = 3.9255586814989 | erot = 4.67306017627962 | epot = -34.8638412525408 | etot = -26.2652223947623 -523000 ekin = 4.10629342994203 | erot = 4.236908212199 | epot = -34.9392637364661 | etot = -26.5960620943251 -524000 ekin = 4.16964406138591 | erot = 4.51539305326744 | epot = -35.0302476439308 | etot = -26.3452105292774 -525000 ekin = 4.14574067413465 | erot = 4.59255192964589 | epot = -35.1665459803983 | etot = -26.4282533766178 -526000 ekin = 4.296358047754 | erot = 5.381812036993 | epot = -35.3702076593238 | etot = -25.6920375745768 -527000 ekin = 4.43341423246361 | erot = 5.4208701656542 | epot = -35.5881352754177 | etot = -25.7338508772999 -528000 ekin = 4.65221997264072 | erot = 5.64432261927517 | epot = -35.7907306535609 | etot = -25.494188061645 -529000 ekin = 4.75833001518924 | erot = 6.22279494556947 | epot = -35.9649272181716 | etot = -24.9838022574129 -530000 ekin = 4.85254900576415 | erot = 6.26630645813046 | epot = -36.1175112827238 | etot = -24.9986558188292 -531000 ekin = 4.88314038497982 | erot = 6.22256761998238 | epot = -36.2218727030894 | etot = -25.1161646981272 -532000 ekin = 4.89429192132463 | erot = 6.19376619305432 | epot = -36.2791850407375 | etot = -25.1911269263585 -533000 ekin = 4.98074956905521 | erot = 6.71246035574362 | epot = -36.2873072492241 | etot = -24.5940973244253 -534000 ekin = 5.05914514163862 | erot = 6.72049132345808 | epot = -36.2541186702089 | etot = -24.4744822051122 -535000 ekin = 4.98307281629264 | erot = 6.60876507020625 | epot = -36.1722591997817 | etot = -24.5804213132828 -536000 ekin = 4.92092214615494 | erot = 6.71824597922688 | epot = -36.0492643890656 | etot = -24.4100962636838 -537000 ekin = 4.73594122849286 | erot = 6.46069540815352 | epot = -35.9116294607651 | etot = -24.7149928241187 -538000 ekin = 4.79280389212849 | erot = 6.10794151385203 | epot = -35.7423046160126 | etot = -24.8415592100321 -539000 ekin = 4.77579753855575 | erot = 5.97217188520334 | epot = -35.5336009816514 | etot = -24.7856315578923 -540000 ekin = 4.5934335322059 | erot = 6.0288231594335 | epot = -35.2969540919917 | etot = -24.6746974003523 -541000 ekin = 4.56261508857232 | erot = 5.60884609986387 | epot = -35.074241498478 | etot = -24.9027803100418 -542000 ekin = 4.4230407907828 | erot = 5.24180126466482 | epot = -34.8728664426871 | etot = -25.2080243872395 -543000 ekin = 4.31458565966237 | erot = 5.3064811880571 | epot = -34.6809264080031 | etot = -25.0598595602836 -544000 ekin = 4.16990383767255 | erot = 5.09480741715239 | epot = -34.5077033118771 | etot = -25.2429920570521 -545000 ekin = 4.03506404145806 | erot = 4.95913193735205 | epot = -34.3738505570893 | etot = -25.3796545782792 -546000 ekin = 4.05283758597002 | erot = 4.62357416672456 | epot = -34.2732549004477 | etot = -25.5968431477531 -547000 ekin = 3.91892476341072 | erot = 4.42471065792704 | epot = -34.1888485564159 | etot = -25.8452131350781 -548000 ekin = 3.85923648383023 | erot = 4.18493881932583 | epot = -34.1251823218203 | etot = -26.0810070186642 -549000 ekin = 3.89277095561291 | erot = 4.20183962759824 | epot = -34.0968256559695 | etot = -26.0022150727584 -550000 ekin = 3.88489313663741 | erot = 4.0698735084027 | epot = -34.083498992554 | etot = -26.1287323475139 -551000 ekin = 3.87639970039824 | erot = 4.25043058335786 | epot = -34.0931086790785 | etot = -25.9662783953224 -552000 ekin = 3.88627319211738 | erot = 4.0010203354773 | epot = -34.163860291438 | etot = -26.2765667638433 -553000 ekin = 4.05569156373835 | erot = 3.56403629580258 | epot = -34.2474834864243 | etot = -26.6277556268834 -554000 ekin = 4.25626838001505 | erot = 3.70804766862573 | epot = -34.2954308218042 | etot = -26.3311147731634 -555000 ekin = 4.26487407035246 | erot = 3.78496110408411 | epot = -34.3412268896546 | etot = -26.291391715218 -556000 ekin = 4.24622902964942 | erot = 4.03454820388574 | epot = -34.3344093396383 | etot = -26.0536321061031 -557000 ekin = 4.0731966983783 | erot = 3.86372668854402 | epot = -34.2640157691765 | etot = -26.3270923822542 -558000 ekin = 3.9948930644697 | erot = 3.82027814531928 | epot = -34.1455461859523 | etot = -26.3303749761633 -559000 ekin = 4.00179663426005 | erot = 3.82651776959161 | epot = -33.9924674804782 | etot = -26.1641530766265 -560000 ekin = 3.90938418270034 | erot = 3.49539199637402 | epot = -33.8018928207131 | etot = -26.3971166416387 -561000 ekin = 3.70375196060258 | erot = 3.38165869548275 | epot = -33.615733164291 | etot = -26.5303225082057 -562000 ekin = 3.64392595608231 | erot = 3.67997084627181 | epot = -33.4612560313007 | etot = -26.1373592289466 -563000 ekin = 3.59769761679705 | erot = 3.74125845764523 | epot = -33.3480734777517 | etot = -26.0091174033094 -564000 ekin = 3.58725325354742 | erot = 3.35524020938125 | epot = -33.267517196837 | etot = -26.3250237339083 -565000 ekin = 3.63835964444106 | erot = 3.77402574563878 | epot = -33.240901552366 | etot = -25.8285161622862 -566000 ekin = 3.64384501808566 | erot = 3.77515123487333 | epot = -33.2503593116368 | etot = -25.8313630586779 -567000 ekin = 3.63214417671457 | erot = 3.86854489788161 | epot = -33.2603190278794 | etot = -25.7596299532833 -568000 ekin = 3.76759211619052 | erot = 3.9732101485638 | epot = -33.2947231384409 | etot = -25.5539208736866 -569000 ekin = 3.75607920629751 | erot = 3.91893504114413 | epot = -33.3766443391901 | etot = -25.7016300917484 -570000 ekin = 3.88570178164854 | erot = 3.8701337006161 | epot = -33.4676246266793 | etot = -25.7117891444146 -571000 ekin = 3.91109063039706 | erot = 4.38873366379694 | epot = -33.5301619269313 | etot = -25.2303376327373 -572000 ekin = 3.9135736753704 | erot = 4.54669425634133 | epot = -33.5613071721044 | etot = -25.1010392403927 -573000 ekin = 4.00256460246037 | erot = 4.69928602914644 | epot = -33.547965409059 | etot = -24.8461147774522 -574000 ekin = 4.04557469411573 | erot = 4.85104808888591 | epot = -33.4823141367226 | etot = -24.5856913537209 -575000 ekin = 4.01990448331334 | erot = 4.48360936846642 | epot = -33.4090682352895 | etot = -24.9055543835097 -576000 ekin = 3.8077042063495 | erot = 4.4090298473991 | epot = -33.3559765416156 | etot = -25.139242487867 -577000 ekin = 3.65176770723656 | erot = 4.69770290650885 | epot = -33.3414847753624 | etot = -24.992014161617 -578000 ekin = 3.65416507269697 | erot = 5.09984939028917 | epot = -33.3628873386868 | etot = -24.6088728757007 -579000 ekin = 3.65457514215401 | erot = 4.83085466504536 | epot = -33.4229058723706 | etot = -24.9374760651712 -580000 ekin = 3.61022362260401 | erot = 5.21507039569716 | epot = -33.5257015423967 | etot = -24.7004075240955 -581000 ekin = 3.494914275922 | erot = 5.80898315058267 | epot = -33.6374701054948 | etot = -24.3335726789901 -582000 ekin = 3.45150652331189 | erot = 5.20797294729429 | epot = -33.7413132898266 | etot = -25.0818338192204 -583000 ekin = 3.43883253778127 | erot = 4.99240818298312 | epot = -33.7992206024418 | etot = -25.3679798816774 -584000 ekin = 3.41950743993982 | erot = 5.30429667829813 | epot = -33.8273198616872 | etot = -25.1035157434492 -585000 ekin = 3.52988736379251 | erot = 5.26888625710182 | epot = -33.8562169326841 | etot = -25.0574433117897 -586000 ekin = 3.54522421505632 | erot = 5.15182886320336 | epot = -33.8748034063857 | etot = -25.177750328126 -587000 ekin = 3.64975640444305 | erot = 4.43116878398965 | epot = -33.8790223191809 | etot = -25.7980971307482 -588000 ekin = 3.85787406303013 | erot = 4.33848995606292 | epot = -33.9012642894901 | etot = -25.704900270397 -589000 ekin = 3.94871508842027 | erot = 4.36958758855398 | epot = -33.9512157067312 | etot = -25.632913029757 -590000 ekin = 4.04576150007614 | erot = 4.34777620153041 | epot = -33.9849374243125 | etot = -25.5913997227059 -591000 ekin = 4.13483818439864 | erot = 4.2847530812366 | epot = -33.997537224377 | etot = -25.5779459587418 -592000 ekin = 4.25566804148588 | erot = 4.00241438742632 | epot = -33.9905173022463 | etot = -25.7324348733341 -593000 ekin = 4.26695504286498 | erot = 3.75133860519142 | epot = -33.9824243028368 | etot = -25.9641306547804 -594000 ekin = 4.24513038558001 | erot = 3.88826331815687 | epot = -33.9597952629285 | etot = -25.8264015591916 -595000 ekin = 4.33307108334578 | erot = 3.92609577318101 | epot = -33.9197199407769 | etot = -25.6605530842501 -596000 ekin = 4.23611726585083 | erot = 3.89070717461436 | epot = -33.8740124837555 | etot = -25.7471880432903 -597000 ekin = 4.40233879096545 | erot = 3.99738130824423 | epot = -33.8902431987863 | etot = -25.4905230995766 -598000 ekin = 4.23795477390283 | erot = 4.04526003587962 | epot = -33.9155939268415 | etot = -25.632379117059 -599000 ekin = 4.13745802988963 | erot = 3.88641709707891 | epot = -33.9296772436184 | etot = -25.9058021166499 -600000 ekin = 4.21239990479373 | erot = 3.82373814742806 | epot = -33.9651236246002 | etot = -25.9289855723784 -601000 ekin = 4.31969973340156 | erot = 3.98399943561206 | epot = -34.0172721411617 | etot = -25.7135729721481 -602000 ekin = 4.27803621196591 | erot = 4.02063732656592 | epot = -34.1006984229854 | etot = -25.8020248844535 -603000 ekin = 4.31016670434105 | erot = 4.06109056998793 | epot = -34.2290225355025 | etot = -25.8577652611735 -604000 ekin = 4.35436231281015 | erot = 4.27081433433638 | epot = -34.3693989473761 | etot = -25.7442223002295 -605000 ekin = 4.29263786573535 | erot = 4.35816455016065 | epot = -34.5293522620236 | etot = -25.8785498461276 -606000 ekin = 4.23493766333219 | erot = 4.45889694601915 | epot = -34.6959569640143 | etot = -26.002122354663 -607000 ekin = 4.21589668454704 | erot = 4.35851580050846 | epot = -34.8643734064671 | etot = -26.2899609214116 -608000 ekin = 4.31617609118148 | erot = 4.37118434041818 | epot = -35.0106665625387 | etot = -26.323306130939 -609000 ekin = 4.40054829762706 | erot = 4.09556922746415 | epot = -35.1090427558584 | etot = -26.6129252307672 -610000 ekin = 4.38360179734749 | erot = 4.43080811091103 | epot = -35.1590130940805 | etot = -26.344603185822 -611000 ekin = 4.30911071720803 | erot = 4.66858603342419 | epot = -35.199774136202 | etot = -26.2220773855698 -612000 ekin = 4.38115044343898 | erot = 4.62952065066672 | epot = -35.2189008927589 | etot = -26.2082297986532 -613000 ekin = 4.49640333428286 | erot = 4.73033949191667 | epot = -35.2311946320123 | etot = -26.0044518058127 -614000 ekin = 4.42698019674728 | erot = 4.54387450238911 | epot = -35.2270245654641 | etot = -26.2561698663278 -615000 ekin = 4.3629388204899 | erot = 4.65167437175519 | epot = -35.2500098144353 | etot = -26.2353966221903 -616000 ekin = 4.25552094369014 | erot = 3.96773357990598 | epot = -35.2626465654004 | etot = -27.0393920418043 -617000 ekin = 4.02844203107081 | erot = 3.93306028038353 | epot = -35.3085438772357 | etot = -27.3470415657814 -618000 ekin = 3.91410624199523 | erot = 3.99915504239056 | epot = -35.3773572154983 | etot = -27.4640959311125 -619000 ekin = 3.9294433404095 | erot = 3.65858234543169 | epot = -35.4549579850513 | etot = -27.8669322992101 -620000 ekin = 3.94632769198393 | erot = 4.05357915876527 | epot = -35.5452298743849 | etot = -27.5453230236357 -621000 ekin = 4.00876452457071 | erot = 4.18557952361359 | epot = -35.6568787558286 | etot = -27.4625347076443 -622000 ekin = 3.97770547832547 | erot = 4.20428409244749 | epot = -35.7853832130651 | etot = -27.6033936422921 -623000 ekin = 3.87623409179537 | erot = 4.44200976918119 | epot = -35.9345595163542 | etot = -27.6163156553776 -624000 ekin = 3.81461749379546 | erot = 4.73413928443235 | epot = -36.0610458736418 | etot = -27.512289095414 -625000 ekin = 3.89702417514946 | erot = 4.5196799549034 | epot = -36.1593702506668 | etot = -27.7426661206139 -626000 ekin = 4.0528518195111 | erot = 5.12209714551147 | epot = -36.237370947802 | etot = -27.0624219827794 -627000 ekin = 4.06919694856893 | erot = 5.16853241383708 | epot = -36.2459696084307 | etot = -27.0082402460247 -628000 ekin = 3.97574634490031 | erot = 5.15377915037523 | epot = -36.1860007276678 | etot = -27.0564752323922 -629000 ekin = 3.97847076093763 | erot = 4.98743417354921 | epot = -36.084160296335 | etot = -27.1182553618481 -630000 ekin = 3.82117049554653 | erot = 4.72915936447952 | epot = -35.9627884752431 | etot = -27.4124586152171 -631000 ekin = 3.8646114143111 | erot = 4.86154549635015 | epot = -35.8061457051951 | etot = -27.0799887945339 -632000 ekin = 3.74664734149751 | erot = 4.54810894057716 | epot = -35.6214135997292 | etot = -27.3266573176545 -633000 ekin = 3.70561564688156 | erot = 3.84492477779505 | epot = -35.4366028892496 | etot = -27.886062464573 -634000 ekin = 3.59215409071566 | erot = 3.93871515972519 | epot = -35.2896538627894 | etot = -27.7587846123485 -635000 ekin = 3.50545587494281 | erot = 4.06717110382225 | epot = -35.1730596180138 | etot = -27.6004326392487 -636000 ekin = 3.33094541502758 | erot = 4.07821458070319 | epot = -35.1077038533339 | etot = -27.6985438576031 -637000 ekin = 3.1450521799885 | erot = 4.05756077132578 | epot = -35.1055524080602 | etot = -27.9029394567459 -638000 ekin = 3.09050584392124 | erot = 4.40258652090801 | epot = -35.1570633539873 | etot = -27.6639709891581 -639000 ekin = 3.07687333216972 | erot = 4.16491810908533 | epot = -35.2467836386701 | etot = -28.0049921974151 -640000 ekin = 3.00973730804964 | erot = 4.26924181333289 | epot = -35.3354522376063 | etot = -28.0564731162238 -641000 ekin = 2.94445196408731 | erot = 4.64391413205011 | epot = -35.4644644387943 | etot = -27.8760983426569 -642000 ekin = 2.98442414954527 | erot = 4.99747556124224 | epot = -35.629005703419 | etot = -27.6471059926314 -643000 ekin = 3.20556469531983 | erot = 4.80255317913171 | epot = -35.7795885297912 | etot = -27.7714706553396 -644000 ekin = 3.27488214023669 | erot = 4.64957731616528 | epot = -35.9161733239232 | etot = -27.9917138675212 -645000 ekin = 3.41323831994906 | erot = 4.71321420527498 | epot = -36.0213663956136 | etot = -27.8949138703896 -646000 ekin = 3.56963422518063 | erot = 4.46391006184168 | epot = -36.0597764611991 | etot = -28.0262321741768 -647000 ekin = 3.65146108953654 | erot = 4.34882885781815 | epot = -36.0539738525772 | etot = -28.0536839052225 -648000 ekin = 3.80589253043734 | erot = 4.22505125234539 | epot = -35.9957895068619 | etot = -27.9648457240791 -649000 ekin = 4.01844415748726 | erot = 4.19109412255692 | epot = -35.918006133173 | etot = -27.7084678531288 -650000 ekin = 4.03810277748455 | erot = 3.86362623058827 | epot = -35.8260490160414 | etot = -27.9243200079685 -651000 ekin = 4.1420394457061 | erot = 3.56888807374624 | epot = -35.7087423281368 | etot = -27.9978148086844 -652000 ekin = 4.23250261214613 | erot = 3.18710224409333 | epot = -35.6367851174003 | etot = -28.2171802611608 -653000 ekin = 4.36352642925903 | erot = 3.20148998565931 | epot = -35.6464209942524 | etot = -28.0814045793341 -654000 ekin = 4.52792032439863 | erot = 3.02237039454649 | epot = -35.6995719521279 | etot = -28.1492812331828 -655000 ekin = 4.60546960877418 | erot = 2.96007185178607 | epot = -35.8223013228776 | etot = -28.2567598623174 -656000 ekin = 4.78956137675958 | erot = 3.38896158834532 | epot = -35.9826527468522 | etot = -27.8041297817474 -657000 ekin = 4.78481247088143 | erot = 3.67040934516362 | epot = -36.1522101931014 | etot = -27.6969883770563 -658000 ekin = 4.68735602442142 | erot = 4.10635530609203 | epot = -36.3122539915035 | etot = -27.5185426609901 -659000 ekin = 4.79643464434846 | erot = 4.31091667955153 | epot = -36.4198222001284 | etot = -27.3124708762284 -660000 ekin = 4.65613606555458 | erot = 4.00182169137101 | epot = -36.5017357753368 | etot = -27.8437780184112 -661000 ekin = 4.53939481189358 | erot = 4.39327864100421 | epot = -36.552237956014 | etot = -27.6195645031162 -662000 ekin = 4.62075189021939 | erot = 4.64171304234462 | epot = -36.545875274844 | etot = -27.28341034228 -663000 ekin = 4.60627251324175 | erot = 4.44191382325611 | epot = -36.5358428119652 | etot = -27.4876564754673 -664000 ekin = 4.5322487745738 | erot = 4.69535654969877 | epot = -36.5440045788996 | etot = -27.3163992546271 -665000 ekin = 4.33791904760918 | erot = 4.79511074251709 | epot = -36.5712979957051 | etot = -27.4382682055788 -666000 ekin = 4.01034004769755 | erot = 5.144756302773 | epot = -36.6275167021822 | etot = -27.4724203517116 -667000 ekin = 3.92791037721526 | erot = 5.1180589475915 | epot = -36.7022697315157 | etot = -27.656300406709 -668000 ekin = 3.69207242860475 | erot = 4.95115852091633 | epot = -36.77482844315 | etot = -28.1315974936289 -669000 ekin = 3.52850414694741 | erot = 5.30513713121027 | epot = -36.8468924103787 | etot = -28.013251132221 -670000 ekin = 3.43685158392318 | erot = 5.67353767341462 | epot = -36.8571678878536 | etot = -27.7467786305158 -671000 ekin = 3.37237891900108 | erot = 4.81383151363229 | epot = -36.789877261468 | etot = -28.6036668288346 -672000 ekin = 3.42142864489494 | erot = 4.47410705082113 | epot = -36.6509805759882 | etot = -28.7554448802721 -673000 ekin = 3.47620696197669 | erot = 4.5346881275349 | epot = -36.4695914666357 | etot = -28.4586963771241 -674000 ekin = 3.34015467342445 | erot = 4.56003540036683 | epot = -36.2728042739957 | etot = -28.3726142002044 -675000 ekin = 3.26558121431912 | erot = 4.75716318196968 | epot = -36.081244882487 | etot = -28.0585004861982 -676000 ekin = 3.30557173090105 | erot = 4.66626180335483 | epot = -35.8858133485329 | etot = -27.9139798142771 -677000 ekin = 3.38252137148696 | erot = 4.68979222844271 | epot = -35.7238379181649 | etot = -27.6515243182352 -678000 ekin = 3.33430766992679 | erot = 4.45636421682296 | epot = -35.5898515746292 | etot = -27.7991796878794 -679000 ekin = 3.26716522041086 | erot = 4.1364314169021 | epot = -35.5282160560392 | etot = -28.1246194187263 -680000 ekin = 3.22330491222295 | erot = 4.11355311991395 | epot = -35.5522418172891 | etot = -28.2153837851522 -681000 ekin = 3.27654998707864 | erot = 4.40088508884101 | epot = -35.6343431031162 | etot = -27.9569080271965 -682000 ekin = 3.38403402083093 | erot = 4.64957783602951 | epot = -35.7255960652544 | etot = -27.6919842083939 -683000 ekin = 3.58392532059595 | erot = 4.15499488835509 | epot = -35.8541956283799 | etot = -28.1152754194289 -684000 ekin = 3.63284008875844 | erot = 4.14497212696412 | epot = -36.0448350473468 | etot = -28.2670228316243 -685000 ekin = 3.75538152185827 | erot = 3.95609692494467 | epot = -36.2462524041805 | etot = -28.5347739573775 -686000 ekin = 3.91883145536903 | erot = 3.95298902028762 | epot = -36.4771155861876 | etot = -28.605295110531 -687000 ekin = 4.05299881159346 | erot = 4.06027810523509 | epot = -36.7169526369106 | etot = -28.6036757200821 -688000 ekin = 4.13599667613487 | erot = 4.10331489254492 | epot = -36.9524101670374 | etot = -28.7130985983576 -689000 ekin = 4.25987754434331 | erot = 4.14481492316617 | epot = -37.1900775910787 | etot = -28.7853851235692 -690000 ekin = 4.43074027682691 | erot = 4.04380513304471 | epot = -37.3931354089472 | etot = -28.9185899990756 -691000 ekin = 4.53821721573907 | erot = 3.8050334589901 | epot = -37.5576014163145 | etot = -29.2143507415853 -692000 ekin = 4.64150042779563 | erot = 3.59872997928139 | epot = -37.6895260553266 | etot = -29.4492956482496 -693000 ekin = 4.69075885893268 | erot = 3.47578918601684 | epot = -37.8114874122412 | etot = -29.6449393672917 -694000 ekin = 4.7382251866288 | erot = 3.84263750148522 | epot = -37.9027003996521 | etot = -29.3218377115381 -695000 ekin = 4.75494194628237 | erot = 3.78113333862439 | epot = -37.9681336831645 | etot = -29.4320583982578 -696000 ekin = 4.697866081995 | erot = 3.78526821175916 | epot = -38.0084908312995 | etot = -29.5253565375453 -697000 ekin = 4.69854328160722 | erot = 3.62432955932709 | epot = -38.0258612384494 | etot = -29.7029883975151 -698000 ekin = 4.71023285873083 | erot = 3.64111389234168 | epot = -38.0301547340748 | etot = -29.6788079830023 -699000 ekin = 4.56773244344101 | erot = 3.71983710702471 | epot = -38.0529467082179 | etot = -29.7653771577522 -700000 ekin = 4.43155866208815 | erot = 3.5335546196022 | epot = -38.068583492112 | etot = -30.1034702104217 -701000 ekin = 4.47548631411863 | erot = 3.38963138436185 | epot = -38.0500116139802 | etot = -30.1848939154997 -702000 ekin = 4.46550513017092 | erot = 3.66852889097233 | epot = -38.0164512923389 | etot = -29.8824172711957 -703000 ekin = 4.38742906998922 | erot = 3.97599599383663 | epot = -37.9817705180933 | etot = -29.6183454542675 -704000 ekin = 4.41020682713785 | erot = 3.83147838533244 | epot = -37.9674346241353 | etot = -29.725749411665 -705000 ekin = 4.39308990786526 | erot = 3.75664217186731 | epot = -37.9282520396859 | etot = -29.7785199599533 -706000 ekin = 4.43040906703226 | erot = 4.12756254176834 | epot = -37.8939279543814 | etot = -29.3359563455808 -707000 ekin = 4.51700671633719 | erot = 3.77573523129425 | epot = -37.8444471024425 | etot = -29.5517051548111 -708000 ekin = 4.49065124304644 | erot = 3.88552877103945 | epot = -37.7744800646496 | etot = -29.3983000505637 -709000 ekin = 4.41855498291582 | erot = 3.53582586052254 | epot = -37.6656825257606 | etot = -29.7113016823223 -710000 ekin = 4.40535258977441 | erot = 3.39649502688896 | epot = -37.546693994465 | etot = -29.7448463778016 -711000 ekin = 4.32709544005412 | erot = 3.54995473847997 | epot = -37.3866324258477 | etot = -29.5095822473136 -712000 ekin = 4.40620309391045 | erot = 3.7155744253842 | epot = -37.1793914331046 | etot = -29.05761391381 -713000 ekin = 4.39226105260381 | erot = 3.64956114520254 | epot = -36.9592491146155 | etot = -28.9174269168092 -714000 ekin = 4.3945904765123 | erot = 3.58799428596503 | epot = -36.7844109062829 | etot = -28.8018261438055 -715000 ekin = 4.41458674942753 | erot = 4.01850565037344 | epot = -36.5924446920391 | etot = -28.1593522922382 -716000 ekin = 4.33665938530876 | erot = 3.50452219695681 | epot = -36.4143425377369 | etot = -28.5731609554713 -717000 ekin = 4.18088462864216 | erot = 3.21190204009032 | epot = -36.2481677379304 | etot = -28.8553810691979 -718000 ekin = 4.03231025467992 | erot = 2.91104295996765 | epot = -36.1402693367145 | etot = -29.196916122067 -719000 ekin = 3.97260579411936 | erot = 3.29783620298701 | epot = -36.0849771003507 | etot = -28.8145351032443 -720000 ekin = 3.82567789821418 | erot = 3.46218504309359 | epot = -36.1068353452668 | etot = -28.818972403959 -721000 ekin = 3.83433718059127 | erot = 4.03084036947922 | epot = -36.1868958046435 | etot = -28.321718254573 -722000 ekin = 3.7130087276568 | erot = 3.84736896155859 | epot = -36.2838656104841 | etot = -28.7234879212687 -723000 ekin = 3.74703466957696 | erot = 3.71040850656983 | epot = -36.3812410760553 | etot = -28.9237978999085 -724000 ekin = 3.75607081603443 | erot = 4.02813532874788 | epot = -36.4992818358981 | etot = -28.7150756911158 -725000 ekin = 3.77808990085885 | erot = 4.20966764087265 | epot = -36.6263500488386 | etot = -28.6385925071071 -726000 ekin = 3.99703012102755 | erot = 3.67945861038478 | epot = -36.7651398392487 | etot = -29.0886511078363 -727000 ekin = 4.01741049095273 | erot = 3.72684228835856 | epot = -36.8887239674894 | etot = -29.1444711881781 -728000 ekin = 4.05655244457389 | erot = 3.64411335656528 | epot = -36.9831032192825 | etot = -29.2824374181433 -729000 ekin = 4.15914112670555 | erot = 3.22368867517415 | epot = -37.0758214193937 | etot = -29.692991617514 -730000 ekin = 4.27496625989352 | erot = 3.03434396509935 | epot = -37.1060663359384 | etot = -29.7967561109456 -731000 ekin = 4.35621946146742 | erot = 3.31453862248463 | epot = -37.0811379025023 | etot = -29.4103798185503 -732000 ekin = 4.31460322853858 | erot = 3.19560214587386 | epot = -37.0358028654693 | etot = -29.5255974910568 -733000 ekin = 4.2295226795695 | erot = 3.20037871937962 | epot = -36.9673423522061 | etot = -29.537440953257 -734000 ekin = 4.24709820971147 | erot = 3.10598269123683 | epot = -36.8800091287772 | etot = -29.5269282278289 -735000 ekin = 4.14981162925897 | erot = 3.12549638567468 | epot = -36.7838119752116 | etot = -29.508503960278 -736000 ekin = 4.20814181481824 | erot = 2.91522500178861 | epot = -36.7063833852233 | etot = -29.5830165686164 -737000 ekin = 4.01828120268193 | erot = 2.40495812578651 | epot = -36.6589611248533 | etot = -30.2357217963848 -738000 ekin = 4.01094036028549 | erot = 2.68632566149055 | epot = -36.6548343802808 | etot = -29.9575683585048 -739000 ekin = 4.14661584174142 | erot = 2.59506078530577 | epot = -36.6780631105738 | etot = -29.9363864835266 -740000 ekin = 4.08413039710925 | erot = 2.57365823993747 | epot = -36.7021237291546 | etot = -30.0443350921079 -741000 ekin = 4.10845660619181 | erot = 2.78416335535206 | epot = -36.7754492326706 | etot = -29.8828292711267 -742000 ekin = 4.09068760907163 | erot = 3.09866824560576 | epot = -36.8187451874485 | etot = -29.6293893327711 -743000 ekin = 3.96610963094402 | erot = 3.04878673776408 | epot = -36.8535622197241 | etot = -29.838665851016 -744000 ekin = 3.97087885402719 | erot = 3.04950786237685 | epot = -36.8512621314634 | etot = -29.8308754150594 -745000 ekin = 3.78295099566376 | erot = 3.09154774657146 | epot = -36.8410165021252 | etot = -29.96651775989 -746000 ekin = 3.88442560568396 | erot = 3.15773579416763 | epot = -36.8645704531019 | etot = -29.8224090532503 -747000 ekin = 3.94794600572092 | erot = 3.04363515896551 | epot = -36.9228275975776 | etot = -29.9312464328912 -748000 ekin = 3.94186404778235 | erot = 3.24130800398347 | epot = -37.0438118681966 | etot = -29.8606398164308 -749000 ekin = 3.93262026571516 | erot = 3.71710044171151 | epot = -37.210963278996 | etot = -29.5612425715694 -750000 ekin = 3.82713052636346 | erot = 4.02486049381691 | epot = -37.385471620714 | etot = -29.5334806005336 -751000 ekin = 4.02336237199802 | erot = 4.23099342037285 | epot = -37.5518597142007 | etot = -29.2975039218298 -752000 ekin = 4.06152925020837 | erot = 3.76231639564619 | epot = -37.6809132611595 | etot = -29.8570676153049 -753000 ekin = 4.07859449790949 | erot = 3.97018598947847 | epot = -37.7593004103674 | etot = -29.7105199229794 -754000 ekin = 4.26771269586214 | erot = 4.64006960442373 | epot = -37.8141557249888 | etot = -28.9063734247029 -755000 ekin = 4.26666906965093 | erot = 4.77784474773889 | epot = -37.8576299963078 | etot = -28.8131161789179 -756000 ekin = 4.2913114700946 | erot = 5.38525988164132 | epot = -37.8917845570772 | etot = -28.2152132053412 -757000 ekin = 4.35562563894453 | erot = 5.14819699923274 | epot = -37.8935376948375 | etot = -28.3897150566602 -758000 ekin = 4.22616249374932 | erot = 5.19713356473755 | epot = -37.890171313439 | etot = -28.4668752549521 -759000 ekin = 4.24184449956944 | erot = 5.16496183591484 | epot = -37.8881235068873 | etot = -28.481317171403 -760000 ekin = 4.23424644958301 | erot = 5.47628298706072 | epot = -37.9000330984149 | etot = -28.1895036617712 -761000 ekin = 4.26448749341469 | erot = 5.45907771030503 | epot = -37.9055730645743 | etot = -28.1820078608546 -762000 ekin = 4.22061932798692 | erot = 5.04369074313446 | epot = -37.9108772679031 | etot = -28.6465671967817 -763000 ekin = 4.09989014592102 | erot = 5.10778066514902 | epot = -37.9045250455542 | etot = -28.6968542344841 -764000 ekin = 4.18374834614763 | erot = 5.46818179899514 | epot = -37.8676566747109 | etot = -28.2157265295681 -765000 ekin = 4.08761418374972 | erot = 5.8085838804908 | epot = -37.8033181876409 | etot = -27.9071201234004 -766000 ekin = 4.0399954168056 | erot = 5.48136006660783 | epot = -37.7411893537017 | etot = -28.2198338702883 -767000 ekin = 4.01701285460552 | erot = 5.31665044278829 | epot = -37.6438611160235 | etot = -28.3101978186297 -768000 ekin = 3.97951625206149 | erot = 5.25792422549898 | epot = -37.5214426737382 | etot = -28.2840021961778 -769000 ekin = 3.9904400552595 | erot = 5.21175341266091 | epot = -37.3810973556055 | etot = -28.1789038876851 -770000 ekin = 3.99199742512277 | erot = 5.21810902470249 | epot = -37.1986211065242 | etot = -27.9885146566989 -771000 ekin = 3.82567851870305 | erot = 4.95130845103932 | epot = -36.9906650314374 | etot = -28.213678061695 -772000 ekin = 3.72123202682396 | erot = 4.74084322348116 | epot = -36.7445513213713 | etot = -28.2824760710662 -773000 ekin = 3.61186619870637 | erot = 4.48764169415196 | epot = -36.4404296879 | etot = -28.3409217950417 -774000 ekin = 3.5323856332149 | erot = 4.0851560641829 | epot = -36.1430482929722 | etot = -28.5255065955744 -775000 ekin = 3.61960121968643 | erot = 4.03007080844262 | epot = -35.8636424209038 | etot = -28.2139703927748 -776000 ekin = 3.50131397859944 | erot = 3.82783005287474 | epot = -35.5938202085534 | etot = -28.2646761770792 -777000 ekin = 3.4086720204846 | erot = 3.85221546935551 | epot = -35.4006619567329 | etot = -28.1397744668928 -778000 ekin = 3.45838031028943 | erot = 3.51853820068418 | epot = -35.2979750992092 | etot = -28.3210565882356 -779000 ekin = 3.42307480042057 | erot = 3.59321040457246 | epot = -35.2809430031764 | etot = -28.2646577981833 -780000 ekin = 3.42440692402825 | erot = 3.60521054559613 | epot = -35.3411249792481 | etot = -28.3115075096237 -781000 ekin = 3.46934151467246 | erot = 3.84731508491177 | epot = -35.4518670976751 | etot = -28.1352104980909 -782000 ekin = 3.5271040668097 | erot = 4.28376670942143 | epot = -35.595026056589 | etot = -27.7841552803579 -783000 ekin = 3.61729821661169 | erot = 4.75537078140916 | epot = -35.7562125383807 | etot = -27.3835435403599 -784000 ekin = 3.5836655359854 | erot = 4.1138012313496 | epot = -35.8708728516423 | etot = -28.1734060843073 -785000 ekin = 3.63226984987313 | erot = 4.14613629449608 | epot = -35.9549809353083 | etot = -28.1765747909391 -786000 ekin = 3.55353155352361 | erot = 3.96170523540214 | epot = -36.0104316125812 | etot = -28.4951948236555 -787000 ekin = 3.65679390509628 | erot = 4.13482060006033 | epot = -36.0644977241106 | etot = -28.272883218954 -788000 ekin = 3.86757699285448 | erot = 4.10779053552829 | epot = -36.0997261456416 | etot = -28.1243586172588 -789000 ekin = 3.93645468275084 | erot = 4.27766163431728 | epot = -36.1406694170053 | etot = -27.9265530999371 -790000 ekin = 3.99051031327637 | erot = 3.95340487784933 | epot = -36.2018617372706 | etot = -28.257946546145 -791000 ekin = 4.10452718423621 | erot = 3.99235351847229 | epot = -36.2624115283487 | etot = -28.1655308256402 -792000 ekin = 4.33302884516885 | erot = 3.8304429162738 | epot = -36.335701261074 | etot = -28.1722294996313 -793000 ekin = 4.59966330091451 | erot = 3.74212535974463 | epot = -36.4314410279318 | etot = -28.0896523672727 -794000 ekin = 4.70509453522008 | erot = 3.7325457155236 | epot = -36.5039677226926 | etot = -28.0663274719489 -795000 ekin = 4.8237350135353 | erot = 3.69936645898633 | epot = -36.5467302591204 | etot = -28.0236287865987 -796000 ekin = 5.02825099690258 | erot = 3.65845895224835 | epot = -36.5441938749373 | etot = -27.8574839257863 -797000 ekin = 4.98369350470464 | erot = 3.33483563015714 | epot = -36.5302539300605 | etot = -28.2117247951988 -798000 ekin = 5.04627515833455 | erot = 3.251844315584 | epot = -36.5269098314607 | etot = -28.2287903575422 -799000 ekin = 4.96165968599494 | erot = 3.39539196017299 | epot = -36.5580084896278 | etot = -28.2009568434598 -800000 ekin = 4.96087289523802 | erot = 3.54932033291718 | epot = -36.6052154994154 | etot = -28.0950222712602 -801000 ekin = 4.96148873220024 | erot = 3.39995120227887 | epot = -36.6619752973816 | etot = -28.3005353629025 -802000 ekin = 4.86744715226323 | erot = 3.35338258088299 | epot = -36.6942224647938 | etot = -28.4733927316476 -803000 ekin = 4.75056128639553 | erot = 3.25410486957708 | epot = -36.7045390401517 | etot = -28.6998728841791 -804000 ekin = 4.78109129200108 | erot = 3.0776597288298 | epot = -36.698526519421 | etot = -28.8397754985901 -805000 ekin = 4.82892493818665 | erot = 3.27499533781798 | epot = -36.6737874267413 | etot = -28.5698671507367 -806000 ekin = 4.74542372520114 | erot = 3.18323237798552 | epot = -36.6406513076392 | etot = -28.7119952044525 -807000 ekin = 4.64766139287985 | erot = 3.38424960796022 | epot = -36.6476730883982 | etot = -28.6157620875581 -808000 ekin = 4.45707835864346 | erot = 3.35175675914227 | epot = -36.7022500935515 | etot = -28.8934149757658 -809000 ekin = 4.32670887591497 | erot = 3.3204635551547 | epot = -36.7741824114222 | etot = -29.1270099803525 -810000 ekin = 4.19642960492062 | erot = 3.20396083815671 | epot = -36.8832195227742 | etot = -29.4828290796969 -811000 ekin = 4.18603442116872 | erot = 3.54097838794675 | epot = -37.0402774324897 | etot = -29.3132646233742 -812000 ekin = 4.3319099162396 | erot = 3.67977508148913 | epot = -37.2334955671967 | etot = -29.221810569468 -813000 ekin = 4.46701990899706 | erot = 3.84749046887719 | epot = -37.4770063129616 | etot = -29.1624959350873 -814000 ekin = 4.70593563863212 | erot = 4.02074050200669 | epot = -37.7739765579907 | etot = -29.0473004173519 -815000 ekin = 4.61635561952459 | erot = 4.30893882425418 | epot = -38.0622407069025 | etot = -29.1369462631237 -816000 ekin = 4.66419241223221 | erot = 4.43348416466983 | epot = -38.3533945439932 | etot = -29.2557179670912 -817000 ekin = 4.61492034782011 | erot = 4.8589683614048 | epot = -38.6054729848476 | etot = -29.1315842756226 -818000 ekin = 4.69361355558547 | erot = 4.57560992803662 | epot = -38.8141140205618 | etot = -29.5448905369397 -819000 ekin = 4.99561997491401 | erot = 4.59057590873866 | epot = -38.986131465386 | etot = -29.3999355817333 -820000 ekin = 5.14251771001076 | erot = 4.38257454602465 | epot = -39.1119793527868 | etot = -29.5868870967514 -821000 ekin = 5.21211790510897 | erot = 3.7649363964534 | epot = -39.1791873910089 | etot = -30.2021330894465 -822000 ekin = 5.2276374734314 | erot = 3.8199393472184 | epot = -39.2257832500633 | etot = -30.1782064294135 -823000 ekin = 5.20824824630017 | erot = 3.61818509207455 | epot = -39.2577442235125 | etot = -30.4313108851377 -824000 ekin = 5.29481176258827 | erot = 3.61607107182776 | epot = -39.2930045776047 | etot = -30.3821217431886 -825000 ekin = 5.34590564278664 | erot = 3.4760580167516 | epot = -39.3020776711423 | etot = -30.4801140116041 -826000 ekin = 5.38005087585455 | erot = 3.56002985231027 | epot = -39.2878928900547 | etot = -30.3478121618899 -827000 ekin = 5.38251681844102 | erot = 3.31581026558379 | epot = -39.283897328375 | etot = -30.5855702443502 -828000 ekin = 5.30162295798549 | erot = 2.79999506814083 | epot = -39.2990437954937 | etot = -31.1974257693674 -829000 ekin = 5.34935471298301 | erot = 2.6338075385136 | epot = -39.3079384502704 | etot = -31.3247761987738 -830000 ekin = 5.15642397228145 | erot = 2.78944963382923 | epot = -39.3294203636002 | etot = -31.3835467574896 -831000 ekin = 5.04271329110473 | erot = 3.07984504895606 | epot = -39.3562191308944 | etot = -31.2336607908336 -832000 ekin = 5.04415123872855 | erot = 3.36917057661115 | epot = -39.3458026730645 | etot = -30.9324808577248 -833000 ekin = 4.97652700754261 | erot = 3.11016826810616 | epot = -39.3003589046717 | etot = -31.2136636290229 -834000 ekin = 4.66785324148471 | erot = 2.98799062968103 | epot = -39.2007615011679 | etot = -31.5449176300022 -835000 ekin = 4.4196794841071 | erot = 3.24754240638097 | epot = -39.0370935965117 | etot = -31.3698717060237 -836000 ekin = 4.1939950117267 | erot = 3.40709899396284 | epot = -38.8824429433984 | etot = -31.2813489377089 -837000 ekin = 4.05102708476636 | erot = 3.50403284169154 | epot = -38.7291298465769 | etot = -31.174069920119 -838000 ekin = 3.94991363719784 | erot = 3.82377156946596 | epot = -38.5557937558062 | etot = -30.7821085491424 -839000 ekin = 3.74326665318806 | erot = 3.97324655976055 | epot = -38.364381604374 | etot = -30.6478683914254 -840000 ekin = 3.7035157452831 | erot = 3.5124488621716 | epot = -38.1559200259235 | etot = -30.9399554184688 -841000 ekin = 3.60547887438446 | erot = 3.69151206404978 | epot = -37.9552189953856 | etot = -30.6582280569514 -842000 ekin = 3.38591284746056 | erot = 3.48115901302566 | epot = -37.7647482919521 | etot = -30.8976764314659 -843000 ekin = 3.11807787995921 | erot = 3.24962582172021 | epot = -37.5931200484574 | etot = -31.225416346778 -844000 ekin = 3.03125896851729 | erot = 3.10915311466668 | epot = -37.4053554848136 | etot = -31.2649434016296 -845000 ekin = 2.84759324027404 | erot = 3.53115382226703 | epot = -37.2260086331777 | etot = -30.8472615706367 -846000 ekin = 2.83613069836942 | erot = 3.41497522988127 | epot = -37.085320604792 | etot = -30.8342146765413 -847000 ekin = 2.82518542790909 | erot = 3.92646137605455 | epot = -36.9740965925522 | etot = -30.2224497885886 -848000 ekin = 2.8035610196741 | erot = 3.75897131812056 | epot = -36.8749675315763 | etot = -30.3124351937817 -849000 ekin = 2.84159199816875 | erot = 3.65493979263097 | epot = -36.7798908055852 | etot = -30.2833590147855 -850000 ekin = 2.91517374365839 | erot = 3.25543936029153 | epot = -36.7388454898332 | etot = -30.5682323858832 -851000 ekin = 3.08764953673805 | erot = 3.74455145978084 | epot = -36.722364218189 | etot = -29.8901632216702 -852000 ekin = 3.20356705871957 | erot = 3.86422941824788 | epot = -36.7413165099185 | etot = -29.6735200329511 -853000 ekin = 3.25796036952423 | erot = 4.25509323905633 | epot = -36.7658517979734 | etot = -29.2527981893928 -854000 ekin = 3.57244822927295 | erot = 4.1896974412388 | epot = -36.8021340521276 | etot = -29.0399883816159 -855000 ekin = 3.61706783412956 | erot = 4.16292249791868 | epot = -36.8626923862697 | etot = -29.0827020542215 -856000 ekin = 3.78538239756072 | erot = 4.11253551603666 | epot = -36.9244661414333 | etot = -29.0265482278359 -857000 ekin = 3.7817884765619 | erot = 4.13628071929874 | epot = -37.0292483027729 | etot = -29.1111791069122 -858000 ekin = 3.79767899411331 | erot = 4.25390024597203 | epot = -37.1883443366328 | etot = -29.1367650965475 -859000 ekin = 3.79646558910377 | erot = 4.39490149089977 | epot = -37.3423128301967 | etot = -29.1509457501932 -860000 ekin = 3.86711139340926 | erot = 4.91957560544857 | epot = -37.4915022932785 | etot = -28.7048152944207 -861000 ekin = 3.99177075241504 | erot = 4.92589410247942 | epot = -37.5868681074784 | etot = -28.6692032525839 -862000 ekin = 4.0977748877086 | erot = 4.85487231115065 | epot = -37.6175250863704 | etot = -28.6648778875111 -863000 ekin = 4.13925231113692 | erot = 4.50896117392355 | epot = -37.5986086016775 | etot = -28.950395116617 -864000 ekin = 4.14764866587724 | erot = 4.42487018235684 | epot = -37.5204132439163 | etot = -28.9478943956823 -865000 ekin = 4.14664914911426 | erot = 4.25648196395736 | epot = -37.3939280409738 | etot = -28.9907969279022 -866000 ekin = 4.14214320133934 | erot = 4.18089045470177 | epot = -37.217946082973 | etot = -28.8949124269318 -867000 ekin = 4.2533355578306 | erot = 3.91180056252889 | epot = -37.0368358637666 | etot = -28.8716997434071 -868000 ekin = 4.25544635673827 | erot = 4.03934502097174 | epot = -36.892523740773 | etot = -28.597732363063 -869000 ekin = 4.24112681076909 | erot = 4.01454747654454 | epot = -36.8084367274645 | etot = -28.5527624401508 -870000 ekin = 4.33478513328131 | erot = 3.78349131069572 | epot = -36.7681636745504 | etot = -28.6498872305733 -871000 ekin = 4.17502061004023 | erot = 3.95421063049773 | epot = -36.7899780247081 | etot = -28.6607467841701 -872000 ekin = 4.17603847735526 | erot = 3.83768938083062 | epot = -36.8688005631066 | etot = -28.8550727049207 -873000 ekin = 4.41693719639203 | erot = 4.07505566261082 | epot = -36.9767379853334 | etot = -28.4847451263305 -874000 ekin = 4.41295334009184 | erot = 4.18394759912804 | epot = -37.1369142438381 | etot = -28.5400133046182 -875000 ekin = 4.52955334955961 | erot = 4.19580464694757 | epot = -37.3370998777392 | etot = -28.611741881232 -876000 ekin = 4.61247068682171 | erot = 4.50897081856651 | epot = -37.5248349335733 | etot = -28.4033934281851 -877000 ekin = 4.76533246609024 | erot = 4.08201826718837 | epot = -37.6873606048119 | etot = -28.8400098715333 -878000 ekin = 4.8610970109619 | erot = 4.033155729642 | epot = -37.8092910984767 | etot = -28.9150383578728 -879000 ekin = 4.93322526419523 | erot = 3.94479688455364 | epot = -37.8433128250758 | etot = -28.965290676327 -880000 ekin = 4.91177719282767 | erot = 3.90966953329197 | epot = -37.7988935874806 | etot = -28.9774468613609 -881000 ekin = 4.87595051611486 | erot = 3.76638474532604 | epot = -37.6791282073033 | etot = -29.0367929458624 -882000 ekin = 4.80398792776863 | erot = 3.52725045146498 | epot = -37.4958553191656 | etot = -29.164616939932 -883000 ekin = 4.56372183806134 | erot = 3.17268134770781 | epot = -37.3026048485108 | etot = -29.5662016627417 -884000 ekin = 4.38408070690848 | erot = 2.95287988074379 | epot = -37.1164899885588 | etot = -29.7795294009065 -885000 ekin = 4.2140126763182 | erot = 3.28627816383894 | epot = -36.942394624606 | etot = -29.4421037844489 -886000 ekin = 3.94208450896381 | erot = 3.61827008671528 | epot = -36.8244889717495 | etot = -29.2641343760704 -887000 ekin = 3.76025689669878 | erot = 3.89282193563174 | epot = -36.7542446517018 | etot = -29.1011658193713 -888000 ekin = 3.58518173626509 | erot = 4.10918051627072 | epot = -36.7235080282654 | etot = -29.0291457757296 -889000 ekin = 3.52227905599303 | erot = 4.53948895643315 | epot = -36.7423345916829 | etot = -28.6805665792567 -890000 ekin = 3.48725850687851 | erot = 4.9165184567076 | epot = -36.8110749451072 | etot = -28.4072979815211 -891000 ekin = 3.51807183016932 | erot = 5.36785996032727 | epot = -36.9187079043847 | etot = -28.0327761138882 -892000 ekin = 3.486514414829 | erot = 5.25687644163098 | epot = -37.0005216584193 | etot = -28.2571308019593 -893000 ekin = 3.51467838155448 | erot = 5.65149044087548 | epot = -37.0594453420589 | etot = -27.8932765196289 -894000 ekin = 3.45974654612958 | erot = 5.22169711042558 | epot = -37.102064267985 | etot = -28.4206206114299 -895000 ekin = 3.57216437063937 | erot = 5.40895067977451 | epot = -37.1028729086238 | etot = -28.1217578582099 -896000 ekin = 3.56655921068659 | erot = 5.69090228219611 | epot = -37.0708217415226 | etot = -27.8133602486399 -897000 ekin = 3.57757547803441 | erot = 5.90228049359103 | epot = -36.985951453297 | etot = -27.5060954816716 -898000 ekin = 3.52295514054554 | erot = 5.8453836024045 | epot = -36.8484715408739 | etot = -27.4801327979239 -899000 ekin = 3.42191869064122 | erot = 5.47174915922149 | epot = -36.6856616378138 | etot = -27.7919937879511 -900000 ekin = 3.45720121517251 | erot = 5.5997377251197 | epot = -36.5148133918243 | etot = -27.4578744515321 -901000 ekin = 3.51607619901873 | erot = 5.88763510779633 | epot = -36.2859464010554 | etot = -26.8822350942404 -902000 ekin = 3.56087621117599 | erot = 5.17399063106631 | epot = -36.0621785767821 | etot = -27.3273117345398 -903000 ekin = 3.56470936099584 | erot = 5.07361698005476 | epot = -35.8794588183591 | etot = -27.2411324773085 -904000 ekin = 3.64294879518974 | erot = 5.28022715353087 | epot = -35.7543216612797 | etot = -26.8311457125591 -905000 ekin = 3.72447152602649 | erot = 5.02657007424407 | epot = -35.658280490972 | etot = -26.9072388907014 -906000 ekin = 3.7591413367746 | erot = 4.63070748715657 | epot = -35.6129995043961 | etot = -27.2231506804649 -907000 ekin = 4.00046169414905 | erot = 4.63743176602948 | epot = -35.6087015116484 | etot = -26.9708080514698 -908000 ekin = 3.98050966425778 | erot = 4.23795607914778 | epot = -35.6020003534093 | etot = -27.3835346100038 -909000 ekin = 4.14488755713113 | erot = 3.77771446920632 | epot = -35.5819012555779 | etot = -27.6592992292404 -910000 ekin = 4.18878899263847 | erot = 3.85878998652442 | epot = -35.5853308204837 | etot = -27.5377518413208 -911000 ekin = 4.15448454865027 | erot = 3.93063753948133 | epot = -35.6075046071671 | etot = -27.5223825190355 -912000 ekin = 4.30922033403085 | erot = 4.53644215925813 | epot = -35.6368602869792 | etot = -26.7911977936902 -913000 ekin = 4.42050627097881 | erot = 4.36559538893036 | epot = -35.6635505470016 | etot = -26.8774488870924 -914000 ekin = 4.640384167071 | erot = 4.57708989772434 | epot = -35.6621612967503 | etot = -26.4446872319549 -915000 ekin = 4.71121950508134 | erot = 4.34018648406978 | epot = -35.6015140360078 | etot = -26.5501080468567 -916000 ekin = 4.67735943326423 | erot = 4.0723772918907 | epot = -35.4903050476411 | etot = -26.7405683224862 -917000 ekin = 4.78142703706188 | erot = 4.20198791892984 | epot = -35.3917685265255 | etot = -26.4083535705337 -918000 ekin = 4.77421198697552 | erot = 4.42971373988936 | epot = -35.2582637676415 | etot = -26.0543380407766 -919000 ekin = 4.73422216253545 | erot = 4.77044814340035 | epot = -35.0931913565727 | etot = -25.5885210506369 -920000 ekin = 4.64583700130455 | erot = 4.69774436792038 | epot = -34.9395895324828 | etot = -25.5960081632579 -921000 ekin = 4.61516328270518 | erot = 4.43350879426847 | epot = -34.8128426462836 | etot = -25.7641705693099 -922000 ekin = 4.55621337364702 | erot = 4.21768777753359 | epot = -34.7312720351653 | etot = -25.9573708839847 -923000 ekin = 4.59034826680647 | erot = 4.50920703076125 | epot = -34.7044992141191 | etot = -25.6049439165514 -924000 ekin = 4.58356240196665 | erot = 4.62074320796166 | epot = -34.7126986327387 | etot = -25.5083930228104 -925000 ekin = 4.53220072801023 | erot = 4.79254817721209 | epot = -34.7588998026814 | etot = -25.4341508974591 -926000 ekin = 4.55832715206815 | erot = 5.00471911281168 | epot = -34.8080246038137 | etot = -25.2449783389339 -927000 ekin = 4.62575171089295 | erot = 4.71181044830442 | epot = -34.8667293476304 | etot = -25.529167188433 -928000 ekin = 4.68657375207003 | erot = 4.76234601746771 | epot = -34.915949836791 | etot = -25.4670300672533 -929000 ekin = 4.7061028915664 | erot = 5.07097104655604 | epot = -34.9791697926744 | etot = -25.202095854552 -930000 ekin = 4.79474071813729 | erot = 5.21915381885274 | epot = -35.0589708185177 | etot = -25.0450762815277 -931000 ekin = 4.69039359230418 | erot = 5.48593447848777 | epot = -35.1099047138343 | etot = -24.9335766430423 -932000 ekin = 4.71110094603637 | erot = 5.47204685356053 | epot = -35.1612846037812 | etot = -24.9781368041843 -933000 ekin = 4.7636965267817 | erot = 5.41370570081805 | epot = -35.2317575147297 | etot = -25.05435528713 -934000 ekin = 4.8364389439216 | erot = 5.2350863141415 | epot = -35.3109086743972 | etot = -25.2393834163341 -935000 ekin = 4.76586014730834 | erot = 5.228655408338 | epot = -35.3670038676022 | etot = -25.3724883119559 -936000 ekin = 4.7459923218976 | erot = 5.40903849081579 | epot = -35.4141584031058 | etot = -25.2591275903924 -937000 ekin = 4.7066536683933 | erot = 5.90535300927756 | epot = -35.4573569432673 | etot = -24.8453502655964 -938000 ekin = 4.73520980049429 | erot = 5.48994015212968 | epot = -35.4717259493542 | etot = -25.2465759967302 -939000 ekin = 4.66471904112943 | erot = 5.58667162801301 | epot = -35.4363389851247 | etot = -25.1849483159823 -940000 ekin = 4.73670308439586 | erot = 5.59502045341196 | epot = -35.3410735898338 | etot = -25.0093500520259 -941000 ekin = 4.56546752366747 | erot = 5.16939612930364 | epot = -35.2196425314888 | etot = -25.4847788785177 -942000 ekin = 4.36600564083038 | erot = 4.55609433699296 | epot = -35.0782455188793 | etot = -26.156145541056 -943000 ekin = 4.27680501591152 | erot = 4.77186490926151 | epot = -34.9346146494734 | etot = -25.8859447243004 -944000 ekin = 4.17576408255027 | erot = 4.64476704064174 | epot = -34.7936442239037 | etot = -25.9731131007117 -945000 ekin = 4.08165692512656 | erot = 4.64307958397957 | epot = -34.7241648822034 | etot = -25.9994283730973 -946000 ekin = 3.9823833768563 | erot = 4.33903183997624 | epot = -34.720898188062 | etot = -26.3994829712295 -947000 ekin = 4.11312487406737 | erot = 4.25698162025429 | epot = -34.8023164533845 | etot = -26.4322099590628 -948000 ekin = 4.03905965505087 | erot = 4.28038925265714 | epot = -34.928198667426 | etot = -26.608749759718 -949000 ekin = 4.12081251669323 | erot = 4.40083354096753 | epot = -35.1348098866843 | etot = -26.6131638290236 -950000 ekin = 4.19947300195308 | erot = 4.46892156641812 | epot = -35.3299547862415 | etot = -26.6615602178703 -951000 ekin = 4.28802819219167 | erot = 4.3680742443603 | epot = -35.5595339264167 | etot = -26.9034314898647 -952000 ekin = 4.44618066979822 | erot = 4.88998578447886 | epot = -35.776264591199 | etot = -26.4400981369219 -953000 ekin = 4.53022835549443 | erot = 4.90684636989333 | epot = -35.9402525430781 | etot = -26.5031778176903 -954000 ekin = 4.65793433636178 | erot = 4.95789701943152 | epot = -36.1007223995856 | etot = -26.4848910437923 -955000 ekin = 4.68472849923193 | erot = 4.84778271057121 | epot = -36.2250094081872 | etot = -26.692498198384 -956000 ekin = 4.83489144923702 | erot = 4.61252423076074 | epot = -36.2912267944626 | etot = -26.8438111144649 -957000 ekin = 4.83158754758543 | erot = 4.06427874835662 | epot = -36.3314048744461 | etot = -27.4355385785041 -958000 ekin = 4.95872508890491 | erot = 3.86764289322934 | epot = -36.3554965538449 | etot = -27.5291285717106 -959000 ekin = 4.88220034385557 | erot = 3.76501141985199 | epot = -36.3703754351835 | etot = -27.7231636714759 -960000 ekin = 4.96739750076083 | erot = 3.70143986321351 | epot = -36.3537104260526 | etot = -27.6848730620782 -961000 ekin = 5.05073619223015 | erot = 3.58723306284219 | epot = -36.3292284086185 | etot = -27.6912591535462 -962000 ekin = 5.10220917296402 | erot = 3.43365806618123 | epot = -36.292660732266 | etot = -27.7567934931207 -963000 ekin = 5.25727455724231 | erot = 3.39047088285751 | epot = -36.2233249912108 | etot = -27.5755795511109 -964000 ekin = 5.33892942752122 | erot = 3.38850636488222 | epot = -36.1631800361608 | etot = -27.4357442437574 -965000 ekin = 5.29707309584692 | erot = 3.40709075904033 | epot = -36.114647791191 | etot = -27.4104839363038 -966000 ekin = 5.27380254283779 | erot = 3.34984185029608 | epot = -36.0934598827398 | etot = -27.4698154896059 -967000 ekin = 5.19975037009087 | erot = 3.54967607074493 | epot = -36.1222651146705 | etot = -27.3728386738347 -968000 ekin = 5.22098509097161 | erot = 3.38920040678115 | epot = -36.1570868906189 | etot = -27.5469013928661 -969000 ekin = 5.01248198517091 | erot = 3.26201512253216 | epot = -36.2130447987696 | etot = -27.9385476910665 -970000 ekin = 4.97914863237121 | erot = 3.76343819077309 | epot = -36.2895058744048 | etot = -27.5469190512605 -971000 ekin = 5.04224300192755 | erot = 3.59024832311355 | epot = -36.3590409977773 | etot = -27.7265496727362 -972000 ekin = 5.05787332232144 | erot = 3.83558558676212 | epot = -36.3997125264357 | etot = -27.5062536173522 -973000 ekin = 5.01777031588903 | erot = 3.27986497682672 | epot = -36.416683733591 | etot = -28.1190484408752 -974000 ekin = 4.96186842907965 | erot = 3.23479851019082 | epot = -36.4352005399287 | etot = -28.2385336006583 -975000 ekin = 4.97224363278484 | erot = 3.35077904927885 | epot = -36.455709806026 | etot = -28.1326871239623 -976000 ekin = 5.01625531380467 | erot = 3.41837200675027 | epot = -36.4643526378165 | etot = -28.0297253172615 -977000 ekin = 5.04359880486621 | erot = 3.40669885598948 | epot = -36.4673967616861 | etot = -28.0170991008304 -978000 ekin = 4.96814116021997 | erot = 3.3988542289389 | epot = -36.4671439769023 | etot = -28.1001485877434 -979000 ekin = 4.68494120169423 | erot = 3.87226166481182 | epot = -36.4696261904956 | etot = -27.9124233239896 -980000 ekin = 4.80514576213004 | erot = 3.73614562894118 | epot = -36.4753768381447 | etot = -27.9340854470735 -981000 ekin = 4.85375109376568 | erot = 4.35522911700057 | epot = -36.4902775794649 | etot = -27.2812973686986 -982000 ekin = 4.79648806853534 | erot = 4.15595945903824 | epot = -36.5084812040043 | etot = -27.5560336764307 -983000 ekin = 4.75907969484559 | erot = 4.43556787871588 | epot = -36.5083539693089 | etot = -27.3137063957474 -984000 ekin = 4.81598118844461 | erot = 4.52957555705406 | epot = -36.5383410952792 | etot = -27.1927843497806 -985000 ekin = 4.87924474651563 | erot = 4.3163097901408 | epot = -36.5777006480737 | etot = -27.3821461114172 -986000 ekin = 4.77128314225264 | erot = 4.12408981491538 | epot = -36.5819281400493 | etot = -27.6865551828813 -987000 ekin = 4.70900566206954 | erot = 4.08922713836853 | epot = -36.5892891612702 | etot = -27.7910563608322 -988000 ekin = 4.69685644927805 | erot = 4.03217145235649 | epot = -36.6289948782911 | etot = -27.8999669766566 -989000 ekin = 4.56955203825868 | erot = 4.16364650343098 | epot = -36.6885496975511 | etot = -27.9553511558614 -990000 ekin = 4.56207337975407 | erot = 3.92865148644803 | epot = -36.7375440238769 | etot = -28.2468191576748 -991000 ekin = 4.45863269474038 | erot = 3.99370804360135 | epot = -36.8046932644695 | etot = -28.3523525261278 -992000 ekin = 4.52516169638379 | erot = 4.19036473784521 | epot = -36.90459516699 | etot = -28.189068732761 -993000 ekin = 4.26593637771868 | erot = 4.55899726308546 | epot = -37.028392229238 | etot = -28.2034585884339 -994000 ekin = 4.14968593988764 | erot = 4.67871188882305 | epot = -37.1561829580787 | etot = -28.327785129368 -995000 ekin = 4.20875361665793 | erot = 4.51127733270572 | epot = -37.2858931380942 | etot = -28.5658621887305 -996000 ekin = 4.10968366764503 | erot = 4.2587192792391 | epot = -37.3745810703572 | etot = -29.006178123473 -997000 ekin = 4.00616178452013 | erot = 4.48911641516102 | epot = -37.4314666701193 | etot = -28.9361884704382 -998000 ekin = 4.02180091280217 | erot = 4.35841167717868 | epot = -37.4443636100146 | etot = -29.0641510200337 -999000 ekin = 4.07504562976173 | erot = 4.26230873450589 | epot = -37.4098012996895 | etot = -29.0724469354219 -1000000 ekin = 3.90433765201102 | erot = 4.668818882285 | epot = -37.3063332342176 | etot = -28.7331766999216 - 1000000 0.10411567 -1.4674304 0.032571422 -1.2846921 -6.6175275e-05 64000 -Loop time of 49.5478 on 4 procs for 1000000 steps with 26 atoms - -Performance: 17437.690 tau/day, 20182.512 timesteps/s -99.7% CPU use with 4 MPI tasks x no OpenMP threads - -MPI task timing breakdown: -Section | min time | avg time | max time |%varavg| %total ---------------------------------------------------------------- -Pair | 23.242 | 32.434 | 41.795 | 160.6 | 65.46 -Bond | 0.49597 | 0.66041 | 0.81294 | 18.0 | 1.33 -Neigh | 0.014073 | 0.014118 | 0.014157 | 0.0 | 0.03 -Comm | 3.3957 | 12.586 | 21.586 | 253.2 | 25.40 -Output | 0.12903 | 0.14424 | 0.15087 | 2.3 | 0.29 -Modify | 1.6058 | 2.2732 | 2.9387 | 44.1 | 4.59 -Other | | 1.436 | | | 2.90 - -Nlocal: 6.50000 ave 10 max 3 min -Histogram: 2 0 0 0 0 0 0 0 0 2 -Nghost: 19.5000 ave 23 max 16 min -Histogram: 2 0 0 0 0 0 0 0 0 2 -Neighs: 131.000 ave 195 max 67 min -Histogram: 2 0 0 0 0 0 0 0 0 2 - -Total # of neighbors = 524 -Ave neighs/atom = 20.153846 -Ave special neighs/atom = 5.0769231 -Neighbor list builds = 1000 -Dangerous builds = 0 - -write_data last_config.${number}.* nocoeff -write_data last_config.4.* nocoeff -System init for write_data ... -Total wall time: 0:00:49 diff --git a/examples/PACKAGES/cgdna/examples/oxDNA2/unique_bp/log.27May21.duplex4.8type.g++1 b/examples/PACKAGES/cgdna/examples/oxDNA2/unique_bp/log.27May21.duplex4.8type.g++1 deleted file mode 100644 index 64807e1037..0000000000 --- a/examples/PACKAGES/cgdna/examples/oxDNA2/unique_bp/log.27May21.duplex4.8type.g++1 +++ /dev/null @@ -1,1271 +0,0 @@ -LAMMPS (27 May 2021) -variable number equal 8 -variable ofreq equal 1000 -variable efreq equal 1000 - -variable ntype equal 8 - -variable T equal 0.1 -variable rhos equal 0.2 - -units lj - -dimension 3 - -newton off - -boundary p p p - -atom_style hybrid bond ellipsoid oxdna -WARNING: Atom style hybrid defines both, per-type and per-atom masses; both must be set, but only per-atom masses will be used (../atom_vec_hybrid.cpp:157) -atom_modify sort 0 1.0 - -# Pair interactions require lists of neighbours to be calculated -neighbor 2.0 bin -neigh_modify every 10 delay 0 check yes - -read_data data.duplex4.8type -Reading data file ... - orthogonal box = (-20.000000 -20.000000 -20.000000) to (20.000000 20.000000 20.000000) - 1 by 1 by 1 MPI processor grid - reading atoms ... - 26 atoms - reading velocities ... - 26 velocities - scanning bonds ... - 2 = max bonds/atom - 26 ellipsoids - reading bonds ... - 24 bonds -Finding 1-2 1-3 1-4 neighbors ... - special bond factors lj: 0 0 0 - special bond factors coul: 0 0 0 - 2 = max # of 1-2 neighbors - 2 = max # of 1-3 neighbors - 4 = max # of 1-4 neighbors - 6 = max # of special neighbors - special bonds CPU = 0.000 seconds - read_data CPU = 0.003 seconds - -mass * 3.1575 # sets per-type mass if not in data file -set atom * mass 3.1575 # sets per-atom mass -Setting atom values ... - 26 settings made for mass - -group all type 1 8 -26 atoms in group all - -# oxDNA2 bond interactions - FENE backbone -bond_style oxdna2/fene -bond_coeff * 2.0 0.25 0.7564 -special_bonds lj 0 1 1 -Finding 1-2 1-3 1-4 neighbors ... - special bond factors lj: 0 1 1 - special bond factors coul: 0 0 0 - 2 = max # of 1-2 neighbors - 2 = max # of 1-3 neighbors - 4 = max # of 1-4 neighbors - 6 = max # of special neighbors - special bonds CPU = 0.000 seconds - -# oxDNA pair interactions -pair_style hybrid/overlay oxdna2/excv oxdna2/stk oxdna2/hbond oxdna2/xstk oxdna2/coaxstk oxdna2/dh -pair_coeff * * oxdna2/excv 2.0 0.7 0.675 2.0 0.515 0.5 2.0 0.33 0.32 -pair_coeff * * oxdna2/stk seqdep ${T} 1.3523 2.6717 6.0 0.4 0.9 0.32 0.75 1.3 0 0.8 0.9 0 0.95 0.9 0 0.95 2.0 0.65 2.0 0.65 -pair_coeff * * oxdna2/stk seqdep 0.1 1.3523 2.6717 6.0 0.4 0.9 0.32 0.75 1.3 0 0.8 0.9 0 0.95 0.9 0 0.95 2.0 0.65 2.0 0.65 -pair_coeff * * oxdna2/hbond seqdep 0.0 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 - -label loop -variable base loop ${ntype} -variable base loop 8 - variable basemod equal ${base}%4 - variable basemod equal 1%4 - if "${basemod} == 1" then "variable comp equal ${base}+3" "pair_coeff ${base} ${comp} oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45" -variable comp equal ${base}+3 -variable comp equal 1+3 -pair_coeff ${base} ${comp} oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 -pair_coeff 1 ${comp} oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 -pair_coeff 1 4 oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 - if "${basemod} == 2" then "variable comp equal ${base}+1" "pair_coeff ${base} ${comp} oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45" -next base -jump in.duplex4.8type loop -variable base loop ${ntype} -variable base loop 8 - variable basemod equal ${base}%4 - variable basemod equal 2%4 - if "${basemod} == 1" then "variable comp equal ${base}+3" "pair_coeff ${base} ${comp} oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45" - if "${basemod} == 2" then "variable comp equal ${base}+1" "pair_coeff ${base} ${comp} oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45" -variable comp equal ${base}+1 -variable comp equal 2+1 -pair_coeff ${base} ${comp} oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 -pair_coeff 2 ${comp} oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 -pair_coeff 2 3 oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 -next base -jump in.duplex4.8type loop -variable base loop ${ntype} -variable base loop 8 - variable basemod equal ${base}%4 - variable basemod equal 3%4 - if "${basemod} == 1" then "variable comp equal ${base}+3" "pair_coeff ${base} ${comp} oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45" - if "${basemod} == 2" then "variable comp equal ${base}+1" "pair_coeff ${base} ${comp} oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45" -next base -jump in.duplex4.8type loop -variable base loop ${ntype} -variable base loop 8 - variable basemod equal ${base}%4 - variable basemod equal 4%4 - if "${basemod} == 1" then "variable comp equal ${base}+3" "pair_coeff ${base} ${comp} oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45" - if "${basemod} == 2" then "variable comp equal ${base}+1" "pair_coeff ${base} ${comp} oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45" -next base -jump in.duplex4.8type loop -variable base loop ${ntype} -variable base loop 8 - variable basemod equal ${base}%4 - variable basemod equal 5%4 - if "${basemod} == 1" then "variable comp equal ${base}+3" "pair_coeff ${base} ${comp} oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45" -variable comp equal ${base}+3 -variable comp equal 5+3 -pair_coeff ${base} ${comp} oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 -pair_coeff 5 ${comp} oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 -pair_coeff 5 8 oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 - if "${basemod} == 2" then "variable comp equal ${base}+1" "pair_coeff ${base} ${comp} oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45" -next base -jump in.duplex4.8type loop -variable base loop ${ntype} -variable base loop 8 - variable basemod equal ${base}%4 - variable basemod equal 6%4 - if "${basemod} == 1" then "variable comp equal ${base}+3" "pair_coeff ${base} ${comp} oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45" - if "${basemod} == 2" then "variable comp equal ${base}+1" "pair_coeff ${base} ${comp} oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45" -variable comp equal ${base}+1 -variable comp equal 6+1 -pair_coeff ${base} ${comp} oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 -pair_coeff 6 ${comp} oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 -pair_coeff 6 7 oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 -next base -jump in.duplex4.8type loop -variable base loop ${ntype} -variable base loop 8 - variable basemod equal ${base}%4 - variable basemod equal 7%4 - if "${basemod} == 1" then "variable comp equal ${base}+3" "pair_coeff ${base} ${comp} oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45" - if "${basemod} == 2" then "variable comp equal ${base}+1" "pair_coeff ${base} ${comp} oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45" -next base -jump in.duplex4.8type loop -variable base loop ${ntype} -variable base loop 8 - variable basemod equal ${base}%4 - variable basemod equal 8%4 - if "${basemod} == 1" then "variable comp equal ${base}+3" "pair_coeff ${base} ${comp} oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45" - if "${basemod} == 2" then "variable comp equal ${base}+1" "pair_coeff ${base} ${comp} oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45" -next base -jump in.duplex4.8type loop - -pair_coeff * * oxdna2/xstk 47.5 0.575 0.675 0.495 0.655 2.25 0.791592653589793 0.58 1.7 1.0 0.68 1.7 1.0 0.68 1.5 0 0.65 1.7 0.875 0.68 1.7 0.875 0.68 -pair_coeff * * oxdna2/coaxstk 58.5 0.4 0.6 0.22 0.58 2.0 2.891592653589793 0.65 1.3 0 0.8 0.9 0 0.95 0.9 0 0.95 40.0 3.116592653589793 -pair_coeff * * oxdna2/dh ${T} ${rhos} 0.815 -pair_coeff * * oxdna2/dh 0.1 ${rhos} 0.815 -pair_coeff * * oxdna2/dh 0.1 0.2 0.815 - -# Langevin dynamics -fix 1 all nve/asphere -fix 2 all langevin ${T} ${T} 2.5 457145 angmom 10 -fix 2 all langevin 0.1 ${T} 2.5 457145 angmom 10 -fix 2 all langevin 0.1 0.1 2.5 457145 angmom 10 - -timestep 1e-5 - -#comm_style tiled -fix 3 all balance 1000 1.03 shift xyz 10 1.03 -comm_modify cutoff 3.8 - -compute quat all property/atom quatw quati quatj quatk - -compute erot all erotate/asphere -compute ekin all ke -compute epot all pe -variable erot equal c_erot -variable ekin equal c_ekin -variable epot equal c_epot -variable etot equal c_erot+c_ekin+c_epot -fix 5 all print ${efreq} "$(step) ekin = ${ekin} | erot = ${erot} | epot = ${epot} | etot = ${etot}" screen yes -fix 5 all print 1000 "$(step) ekin = ${ekin} | erot = ${erot} | epot = ${epot} | etot = ${etot}" screen yes - -dump out all custom ${ofreq} out.${number}.lammpstrj id mol type x y z ix iy iz vx vy vz c_quat[1] c_quat[2] c_quat[3] c_quat[4] angmomx angmomy angmomz -dump out all custom 1000 out.${number}.lammpstrj id mol type x y z ix iy iz vx vy vz c_quat[1] c_quat[2] c_quat[3] c_quat[4] angmomx angmomy angmomz -dump out all custom 1000 out.8.lammpstrj id mol type x y z ix iy iz vx vy vz c_quat[1] c_quat[2] c_quat[3] c_quat[4] angmomx angmomy angmomz -dump_modify out sort id -dump_modify out format line "%d %d %d %22.15le %22.15le %22.15le %d %d %d %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le" - -run 1000000 -Neighbor list info ... - update every 10 steps, delay 0 steps, check yes - max neighbors/atom: 2000, page size: 100000 - master list distance cutoff = 5.6389877 - ghost atom cutoff = 5.6389877 - binsize = 2.8194939, bins = 15 15 15 - 5 neighbor lists, perpetual/occasional/extra = 5 0 0 - (1) pair oxdna2/excv, perpetual - attributes: half, newton off - pair build: half/bin/newtoff - stencil: full/bin/3d - bin: standard - (2) pair oxdna2/hbond, perpetual, copy from (1) - attributes: half, newton off - pair build: copy - stencil: none - bin: none - (3) pair oxdna2/xstk, perpetual, copy from (1) - attributes: half, newton off - pair build: copy - stencil: none - bin: none - (4) pair oxdna2/coaxstk, perpetual, copy from (1) - attributes: half, newton off - pair build: copy - stencil: none - bin: none - (5) pair oxdna2/dh, perpetual, copy from (1) - attributes: half, newton off - pair build: copy - stencil: none - bin: none -WARNING: Communication cutoff adjusted to 5.638987723814632 (../comm.cpp:739) -0 ekin = 3.74991604702378 | erot = 3.45272678980464 | epot = -37.374200901142 | etot = -30.1715580643136 -Per MPI rank memory allocation (min/avg/max) = 9.578 | 9.578 | 9.578 Mbytes -Step Temp E_pair E_mol TotEng Press Volume - 0 0.099997761 -1.4717559 0.03428661 -1.2932417 5.6146609e-05 64000 -1000 ekin = 3.83184879800819 | erot = 3.50203401022061 | epot = -37.4730508915114 | etot = -30.1391680832826 -2000 ekin = 3.82227374831519 | erot = 3.79878100905234 | epot = -37.616191007464 | etot = -29.9951362500965 -3000 ekin = 3.90938932030971 | erot = 4.1584025695072 | epot = -37.7430329723255 | etot = -29.6752410825086 -4000 ekin = 3.82373321902577 | erot = 4.12183047279799 | epot = -37.8313543569025 | etot = -29.8857906650788 -5000 ekin = 3.7245469506492 | erot = 4.29953523687407 | epot = -37.8617217220935 | etot = -29.8376395345702 -6000 ekin = 3.75585156536887 | erot = 4.31270713695362 | epot = -37.8280629310505 | etot = -29.759504228728 -7000 ekin = 3.79326740841051 | erot = 4.16508360466874 | epot = -37.7640947397914 | etot = -29.8057437267121 -8000 ekin = 3.74746489835263 | erot = 4.25243425677965 | epot = -37.6835135449588 | etot = -29.6836143898265 -9000 ekin = 3.70802697723782 | erot = 4.00193184819408 | epot = -37.589938820096 | etot = -29.8799799946641 -10000 ekin = 3.5813559764108 | erot = 3.86411518632768 | epot = -37.5041732418664 | etot = -30.0587020791279 -11000 ekin = 3.45122934445656 | erot = 4.17035352993105 | epot = -37.485988256137 | etot = -29.8644053817494 -12000 ekin = 3.42435863038455 | erot = 4.2148747253892 | epot = -37.5307136425246 | etot = -29.8914802867509 -13000 ekin = 3.40216979362994 | erot = 4.07292918248778 | epot = -37.6378499557145 | etot = -30.1627509795968 -14000 ekin = 3.29213315521691 | erot = 4.50441987673247 | epot = -37.7761364031321 | etot = -29.9795833711827 -15000 ekin = 3.36883179726037 | erot = 4.91359031415189 | epot = -37.9357367952089 | etot = -29.6533146837967 -16000 ekin = 3.30177911852249 | erot = 5.0959341599744 | epot = -38.143737189117 | etot = -29.7460239106201 -17000 ekin = 3.27867865291038 | erot = 5.45789581601547 | epot = -38.3785999463332 | etot = -29.6420254774074 -18000 ekin = 3.36770908750654 | erot = 5.63036493519876 | epot = -38.5970397067551 | etot = -29.5989656840498 -19000 ekin = 3.29802639540141 | erot = 5.45616396083943 | epot = -38.7810833463914 | etot = -30.0268929901506 -20000 ekin = 3.28760849058064 | erot = 5.26031945979087 | epot = -38.9429500949467 | etot = -30.3950221445752 -21000 ekin = 3.32772748450134 | erot = 5.34990394778083 | epot = -39.0618181252057 | etot = -30.3841866929235 -22000 ekin = 3.34298346296243 | erot = 5.12273250375892 | epot = -39.1360899153794 | etot = -30.670373948658 -23000 ekin = 3.38280280428754 | erot = 5.14933572496704 | epot = -39.1974651493047 | etot = -30.6653266200501 -24000 ekin = 3.43991273776908 | erot = 5.03737353653106 | epot = -39.2427818934623 | etot = -30.7654956191621 -25000 ekin = 3.44382800915661 | erot = 4.56194227438371 | epot = -39.2491545805195 | etot = -31.2433842969791 -26000 ekin = 3.47220361933917 | erot = 4.88028216050144 | epot = -39.2033487475128 | etot = -30.8508629676722 -27000 ekin = 3.47824341108208 | erot = 4.79713670041817 | epot = -39.1340731989048 | etot = -30.8586930874045 -28000 ekin = 3.54835351423495 | erot = 4.6549460773945 | epot = -39.0768463918722 | etot = -30.8735468002427 -29000 ekin = 3.57491058588771 | erot = 4.31737192689198 | epot = -39.0420895500443 | etot = -31.1498070372646 -30000 ekin = 3.51438036654854 | erot = 4.50861299911588 | epot = -39.0276136699747 | etot = -31.0046203043103 -31000 ekin = 3.57650331888537 | erot = 4.40811531091205 | epot = -39.0168289246977 | etot = -31.0322102949003 -32000 ekin = 3.70658082522062 | erot = 4.15949186201365 | epot = -39.017410963825 | etot = -31.1513382765907 -33000 ekin = 3.83721022661993 | erot = 4.05055961618764 | epot = -39.0303039022728 | etot = -31.1425340594653 -34000 ekin = 3.9488588066567 | erot = 3.81495459058985 | epot = -39.0180833389346 | etot = -31.2542699416881 -35000 ekin = 3.97994525138311 | erot = 4.49904715736237 | epot = -38.9543629321031 | etot = -30.4753705233576 -36000 ekin = 3.90049506438254 | erot = 3.99723351860171 | epot = -38.8736492127443 | etot = -30.97592062976 -37000 ekin = 4.00119032736875 | erot = 4.30070706410094 | epot = -38.7576942972652 | etot = -30.4557969057955 -38000 ekin = 4.00581796835635 | erot = 3.82064458204037 | epot = -38.6053485149963 | etot = -30.7788859645996 -39000 ekin = 3.92374370666481 | erot = 3.80679256085699 | epot = -38.4357174066365 | etot = -30.7051811391147 -40000 ekin = 3.81525591020234 | erot = 3.60218215391064 | epot = -38.2889289083717 | etot = -30.8714908442588 -41000 ekin = 3.89801377589288 | erot = 3.52447171643245 | epot = -38.2033074629499 | etot = -30.7808219706246 -42000 ekin = 3.92469802136758 | erot = 3.7220708309091 | epot = -38.1843497161944 | etot = -30.5375808639177 -43000 ekin = 3.9035581905627 | erot = 3.65375269274892 | epot = -38.2197716832792 | etot = -30.6624607999676 -44000 ekin = 3.94906849382527 | erot = 3.48405507068381 | epot = -38.2852323155718 | etot = -30.8521087510627 -45000 ekin = 4.04988136986444 | erot = 3.38338492043344 | epot = -38.3792178397491 | etot = -30.9459515494513 -46000 ekin = 4.12456204511551 | erot = 3.52614566674481 | epot = -38.4473213411913 | etot = -30.796613629331 -47000 ekin = 4.05260082430176 | erot = 3.30110271195189 | epot = -38.4808326895797 | etot = -31.127129153326 -48000 ekin = 3.94672633965036 | erot = 3.3079094466035 | epot = -38.4845357728863 | etot = -31.2298999866324 -49000 ekin = 3.88681575217737 | erot = 3.7826220382333 | epot = -38.441512853504 | etot = -30.7720750630934 -50000 ekin = 3.82899985395713 | erot = 3.78573156370331 | epot = -38.3450518110651 | etot = -30.7303203934047 -51000 ekin = 3.8440574703342 | erot = 3.5318167647978 | epot = -38.2059734024446 | etot = -30.8300991673126 -52000 ekin = 3.72257170524991 | erot = 3.44233441463351 | epot = -38.0493176755068 | etot = -30.8844115556234 -53000 ekin = 3.58458805955591 | erot = 3.40175184254422 | epot = -37.8770316144348 | etot = -30.8906917123346 -54000 ekin = 3.42774104644871 | erot = 3.019334453294 | epot = -37.7242775274777 | etot = -31.277202027735 -55000 ekin = 3.30773758120279 | erot = 3.11354928843073 | epot = -37.5844277892892 | etot = -31.1631409196556 -56000 ekin = 3.30267684217519 | erot = 3.36746893036052 | epot = -37.4528615341921 | etot = -30.7827157616564 -57000 ekin = 3.19775481140565 | erot = 3.06235541109216 | epot = -37.3795633131474 | etot = -31.1194530906496 -58000 ekin = 3.11776701522974 | erot = 3.21225050262699 | epot = -37.3545495658646 | etot = -31.0245320480079 -59000 ekin = 3.02660076850685 | erot = 3.05700513362467 | epot = -37.3753385948442 | etot = -31.2917326927127 -60000 ekin = 3.05479252149933 | erot = 3.09854486170695 | epot = -37.4441725320784 | etot = -31.2908351488721 -61000 ekin = 3.0170447679161 | erot = 3.76451997765653 | epot = -37.5384296958522 | etot = -30.7568649502795 -62000 ekin = 3.04313706615767 | erot = 3.65046217125996 | epot = -37.6255736746588 | etot = -30.9319744372411 -63000 ekin = 3.01457068009159 | erot = 3.63417424777149 | epot = -37.6954625017368 | etot = -31.0467175738737 -64000 ekin = 2.98716002899792 | erot = 3.6682341307717 | epot = -37.7940816265088 | etot = -31.1386874667392 -65000 ekin = 3.02462936411614 | erot = 3.70957377344581 | epot = -37.8868266007907 | etot = -31.1526234632287 -66000 ekin = 3.04943307417966 | erot = 3.64749592963954 | epot = -37.9385532609816 | etot = -31.2416242571625 -67000 ekin = 3.1066499876682 | erot = 3.92441992350054 | epot = -37.9686488739492 | etot = -30.9375789627804 -68000 ekin = 3.10508542338566 | erot = 3.51781674899961 | epot = -37.9831132441551 | etot = -31.3602110717698 -69000 ekin = 3.12460161346405 | erot = 3.45336993587922 | epot = -38.016048039057 | etot = -31.4380764897137 -70000 ekin = 3.2758656602578 | erot = 2.9433048812549 | epot = -38.0712687269606 | etot = -31.8520981854479 -71000 ekin = 3.39211310061244 | erot = 2.74512861011507 | epot = -38.1409313278077 | etot = -32.0036896170801 -72000 ekin = 3.40645093836715 | erot = 2.75927481548162 | epot = -38.2448895790434 | etot = -32.0791638251946 -73000 ekin = 3.52971008848809 | erot = 2.59006671029947 | epot = -38.3559671032089 | etot = -32.2361903044213 -74000 ekin = 3.64539698532463 | erot = 2.94116909218571 | epot = -38.4934235930849 | etot = -31.9068575155746 -75000 ekin = 3.801696795608 | erot = 3.11004664709642 | epot = -38.6561648833572 | etot = -31.7444214406528 -76000 ekin = 3.86343004207976 | erot = 3.33165114941781 | epot = -38.7892518002905 | etot = -31.5941706087929 -77000 ekin = 3.90472352035102 | erot = 3.31177401193371 | epot = -38.8678679983232 | etot = -31.6513704660385 -78000 ekin = 3.9269153046816 | erot = 3.25784074314334 | epot = -38.8969605625463 | etot = -31.7122045147213 -79000 ekin = 3.93607959529908 | erot = 3.16472395725651 | epot = -38.8636036578362 | etot = -31.7628001052806 -80000 ekin = 3.92375596570378 | erot = 3.03932991445862 | epot = -38.7678348516125 | etot = -31.8047489714501 -81000 ekin = 3.94307777153344 | erot = 2.88134017144298 | epot = -38.6473318824763 | etot = -31.8229139394999 -82000 ekin = 3.86696228915961 | erot = 2.89149309255461 | epot = -38.5199433915521 | etot = -31.7614880098378 -83000 ekin = 3.6081427560926 | erot = 2.81572010912292 | epot = -38.3996592376439 | etot = -31.9757963724284 -84000 ekin = 3.71373301448703 | erot = 2.72793818704548 | epot = -38.3011883980017 | etot = -31.8595171964692 -85000 ekin = 3.50951070251159 | erot = 2.79348490714941 | epot = -38.2117363909516 | etot = -31.9087407812906 -86000 ekin = 3.47308524750452 | erot = 3.12141964520655 | epot = -38.1244236248809 | etot = -31.5299187321698 -87000 ekin = 3.47440394227045 | erot = 3.04160702571501 | epot = -38.0440539828501 | etot = -31.5280430148646 -88000 ekin = 3.44172477689074 | erot = 2.9990722717108 | epot = -37.985933210493 | etot = -31.5451361618915 -89000 ekin = 3.46547245050653 | erot = 3.42367325086154 | epot = -37.9432140623316 | etot = -31.0540683609635 -90000 ekin = 3.47276106924418 | erot = 3.41105238494323 | epot = -37.9009776655539 | etot = -31.0171642113665 -91000 ekin = 3.31717291023281 | erot = 4.00503611404964 | epot = -37.8509086765272 | etot = -30.5286996522448 -92000 ekin = 3.30281925189457 | erot = 3.78657692130456 | epot = -37.8308149894368 | etot = -30.7414188162377 -93000 ekin = 3.23932364656724 | erot = 3.46021357148709 | epot = -37.8328101558439 | etot = -31.1332729377896 -94000 ekin = 3.19291152023926 | erot = 3.36401906457213 | epot = -37.8297890174383 | etot = -31.2728584326269 -95000 ekin = 3.11174095364039 | erot = 3.84559531996385 | epot = -37.8285495206063 | etot = -30.871213247002 -96000 ekin = 3.08253957616711 | erot = 4.19970849347949 | epot = -37.8307056468836 | etot = -30.548457577237 -97000 ekin = 3.01019162595086 | erot = 4.79435511235201 | epot = -37.8474383063021 | etot = -30.0428915679993 -98000 ekin = 2.95004498340949 | erot = 4.45721895779629 | epot = -37.8489202082855 | etot = -30.4416562670797 -99000 ekin = 2.91563074020307 | erot = 4.14781823161594 | epot = -37.8396252499933 | etot = -30.7761762781743 -100000 ekin = 2.90648603235873 | erot = 3.81215086067846 | epot = -37.7900595351461 | etot = -31.0714226421089 -101000 ekin = 2.85218071196321 | erot = 3.48991910340801 | epot = -37.7570245236791 | etot = -31.4149247083079 -102000 ekin = 2.86052427330306 | erot = 3.57587365782281 | epot = -37.7214005697291 | etot = -31.2850026386032 -103000 ekin = 2.8891327192239 | erot = 3.41748118405775 | epot = -37.6983180369494 | etot = -31.3917041336678 -104000 ekin = 2.81650081212178 | erot = 3.64361039549593 | epot = -37.6651320682074 | etot = -31.2050208605896 -105000 ekin = 2.79823699847459 | erot = 3.35865525277727 | epot = -37.6511913094719 | etot = -31.4942990582201 -106000 ekin = 2.78255015161699 | erot = 3.64122601097051 | epot = -37.6357012767033 | etot = -31.2119251141158 -107000 ekin = 2.88530590298807 | erot = 3.80038887689837 | epot = -37.6526611371133 | etot = -30.9669663572269 -108000 ekin = 2.83844762508153 | erot = 3.95272494897021 | epot = -37.7224292501162 | etot = -30.9312566760645 -109000 ekin = 2.91484982662488 | erot = 4.34544884566574 | epot = -37.8436434051328 | etot = -30.5833447328422 -110000 ekin = 2.93667443132402 | erot = 4.67698362049716 | epot = -37.9759529936705 | etot = -30.3622949418493 -111000 ekin = 3.11047864616464 | erot = 4.30694673133238 | epot = -38.1028692919236 | etot = -30.6854439144265 -112000 ekin = 3.32630420939175 | erot = 4.07222830175948 | epot = -38.2330557688864 | etot = -30.8345232577351 -113000 ekin = 3.38238157246172 | erot = 4.25399862575992 | epot = -38.4031841501304 | etot = -30.7668039519087 -114000 ekin = 3.40165200205494 | erot = 4.30744946748784 | epot = -38.6070332241658 | etot = -30.897931754623 -115000 ekin = 3.57685598139984 | erot = 4.55740206723824 | epot = -38.8200433287838 | etot = -30.6857852801457 -116000 ekin = 3.75973031177342 | erot = 4.36157654592901 | epot = -39.0323085624547 | etot = -30.9110017047523 -117000 ekin = 4.08170792820106 | erot = 4.22817627757005 | epot = -39.2374888319018 | etot = -30.9276046261307 -118000 ekin = 4.20730049786356 | erot = 4.45363628574763 | epot = -39.4247594107618 | etot = -30.7638226271506 -119000 ekin = 4.26502745539808 | erot = 4.38707691524364 | epot = -39.5609276649307 | etot = -30.908823294289 -120000 ekin = 4.18668022830479 | erot = 4.24219249569083 | epot = -39.6276325806845 | etot = -31.1987598566889 -121000 ekin = 4.37673633947888 | erot = 4.44899930150558 | epot = -39.5989335189463 | etot = -30.7731978779618 -122000 ekin = 4.38970640566175 | erot = 4.08524736298497 | epot = -39.5011631447288 | etot = -31.0262093760821 -123000 ekin = 4.42858502015388 | erot = 3.3866674865171 | epot = -39.3700347945818 | etot = -31.5547822879108 -124000 ekin = 4.41843242629726 | erot = 3.2990259988492 | epot = -39.2496495732995 | etot = -31.5321911481531 -125000 ekin = 4.26174945235079 | erot = 3.29673673713418 | epot = -39.1012418833315 | etot = -31.5427556938465 -126000 ekin = 4.24892047563245 | erot = 3.36728042977254 | epot = -38.9439369649169 | etot = -31.3277360595119 -127000 ekin = 4.20697642244211 | erot = 3.24776092764455 | epot = -38.7860930134988 | etot = -31.3313556634122 -128000 ekin = 4.05115550712502 | erot = 3.47679598409542 | epot = -38.6330582994879 | etot = -31.1051068082675 -129000 ekin = 4.05771564566357 | erot = 3.55109790126645 | epot = -38.5073350485465 | etot = -30.8985215016165 -130000 ekin = 3.96453894213024 | erot = 3.53313522266287 | epot = -38.391565950826 | etot = -30.8938917860329 -131000 ekin = 3.98900505769185 | erot = 3.64077310068002 | epot = -38.2786451293433 | etot = -30.6488669709715 -132000 ekin = 3.73079609117297 | erot = 3.73126171283416 | epot = -38.1409399456635 | etot = -30.6788821416564 -133000 ekin = 3.65247250435604 | erot = 3.53430985836842 | epot = -38.0235035134258 | etot = -30.8367211507014 -134000 ekin = 3.69649402588234 | erot = 3.97356364722734 | epot = -37.9278485959381 | etot = -30.2577909228284 -135000 ekin = 3.57147615494151 | erot = 4.00472599145957 | epot = -37.8397002442412 | etot = -30.2634980978401 -136000 ekin = 3.54164301577371 | erot = 3.88237062104613 | epot = -37.7460882463412 | etot = -30.3220746095214 -137000 ekin = 3.41247180964225 | erot = 3.32750587829706 | epot = -37.624611292303 | etot = -30.8846336043637 -138000 ekin = 3.46206567288778 | erot = 3.47277237990371 | epot = -37.562116148782 | etot = -30.6272780959905 -139000 ekin = 3.46179863350055 | erot = 3.29345554522848 | epot = -37.5218039357363 | etot = -30.7665497570072 -140000 ekin = 3.57268233853845 | erot = 3.52021546572331 | epot = -37.4799882832129 | etot = -30.3870904789511 -141000 ekin = 3.48030321137918 | erot = 3.69147952189479 | epot = -37.4842309048151 | etot = -30.3124481715412 -142000 ekin = 3.63349703801688 | erot = 3.72222694231689 | epot = -37.5326170636814 | etot = -30.1768930833476 -143000 ekin = 3.71391772492725 | erot = 3.32855653910442 | epot = -37.5715573506383 | etot = -30.5290830866066 -144000 ekin = 3.59876610372653 | erot = 3.57133292531719 | epot = -37.6083426167156 | etot = -30.4382435876719 -145000 ekin = 3.5512989873801 | erot = 3.38442665443486 | epot = -37.645703742064 | etot = -30.709978100249 -146000 ekin = 3.57274630492877 | erot = 3.74306660671644 | epot = -37.691839929883 | etot = -30.3760270182378 -147000 ekin = 3.5117518000457 | erot = 4.0750620350483 | epot = -37.7115891932223 | etot = -30.1247753581283 -148000 ekin = 3.52194530375138 | erot = 4.22438638639834 | epot = -37.7453589028592 | etot = -29.9990272127095 -149000 ekin = 3.43829227837994 | erot = 4.25032155928027 | epot = -37.7800675049656 | etot = -30.0914536673054 -150000 ekin = 3.39573759305128 | erot = 4.12519198982267 | epot = -37.7779101405858 | etot = -30.2569805577119 -151000 ekin = 3.38494817974853 | erot = 3.91154836764821 | epot = -37.7346130185548 | etot = -30.4381164711581 -152000 ekin = 3.3392823348606 | erot = 3.82420376901226 | epot = -37.692306373128 | etot = -30.5288202692551 -153000 ekin = 3.38955645731951 | erot = 3.72251905459204 | epot = -37.6703717263954 | etot = -30.5582962144839 -154000 ekin = 3.40170171151684 | erot = 3.95270448125714 | epot = -37.678389708439 | etot = -30.323983515665 -155000 ekin = 3.44581188687109 | erot = 3.52528589615975 | epot = -37.7593041359925 | etot = -30.7882063529616 -156000 ekin = 3.55410349285978 | erot = 3.68359553101928 | epot = -37.8946612865558 | etot = -30.6569622626767 -157000 ekin = 3.67740663285557 | erot = 3.73708949692863 | epot = -38.0406477694048 | etot = -30.6261516396206 -158000 ekin = 3.70912292320975 | erot = 3.62418205239296 | epot = -38.1900046609472 | etot = -30.8566996853445 -159000 ekin = 3.68532826191219 | erot = 3.87298071798096 | epot = -38.2928836797074 | etot = -30.7345746998143 -160000 ekin = 3.72002440516707 | erot = 4.11592492943231 | epot = -38.3652902740975 | etot = -30.5293409394981 -161000 ekin = 3.73388863499049 | erot = 4.42836121024192 | epot = -38.4373191354185 | etot = -30.2750692901861 -162000 ekin = 4.02523829931051 | erot = 4.86807694190568 | epot = -38.4975346699526 | etot = -29.6042194287364 -163000 ekin = 4.03311015138293 | erot = 4.78291233450127 | epot = -38.5597523007636 | etot = -29.7437298148794 -164000 ekin = 4.13350042233596 | erot = 5.01454292769814 | epot = -38.5888368946085 | etot = -29.4407935445744 -165000 ekin = 4.25718467214142 | erot = 4.92225725319178 | epot = -38.5829201612761 | etot = -29.4034782359429 -166000 ekin = 4.11013815046467 | erot = 4.53806000830091 | epot = -38.5467907483034 | etot = -29.8985925895378 -167000 ekin = 4.08710467384557 | erot = 4.20997030650441 | epot = -38.4814936158367 | etot = -30.1844186354868 -168000 ekin = 4.03924000036824 | erot = 3.95993274976389 | epot = -38.3759188508994 | etot = -30.3767461007673 -169000 ekin = 3.94917218886625 | erot = 3.65240127094113 | epot = -38.2594355677077 | etot = -30.6578621079003 -170000 ekin = 3.90935554205295 | erot = 3.78797512477882 | epot = -38.1835201359158 | etot = -30.486189469084 -171000 ekin = 3.87732504895437 | erot = 4.28652570004447 | epot = -38.1402484566641 | etot = -29.9763977076653 -172000 ekin = 3.75957929171811 | erot = 4.02272820820135 | epot = -38.1557340618709 | etot = -30.3734265619515 -173000 ekin = 3.55030915228991 | erot = 4.03115995993289 | epot = -38.2480280629193 | etot = -30.6665589506965 -174000 ekin = 3.61281225750305 | erot = 4.30402685904732 | epot = -38.3795080285351 | etot = -30.4626689119848 -175000 ekin = 3.56741376549368 | erot = 4.24945045724327 | epot = -38.512592945838 | etot = -30.695728723101 -176000 ekin = 3.69966296688439 | erot = 4.22673264606626 | epot = -38.613145916328 | etot = -30.6867503033774 -177000 ekin = 3.72329334774794 | erot = 4.3963702174486 | epot = -38.6555013846404 | etot = -30.5358378194439 -178000 ekin = 3.79919357666777 | erot = 4.00194735045323 | epot = -38.66205820756 | etot = -30.860917280439 -179000 ekin = 3.78008346787866 | erot = 4.05267692212517 | epot = -38.6224110467894 | etot = -30.7896506567856 -180000 ekin = 3.84388711467654 | erot = 3.7091612553256 | epot = -38.5399848480518 | etot = -30.9869364780497 -181000 ekin = 3.78854199589324 | erot = 3.43025530256464 | epot = -38.4472679874806 | etot = -31.2284706890227 -182000 ekin = 3.65298336461987 | erot = 3.41446703840053 | epot = -38.3421256904841 | etot = -31.2746752874636 -183000 ekin = 3.57592466495276 | erot = 3.54000226366919 | epot = -38.2342661287445 | etot = -31.1183392001226 -184000 ekin = 3.59097293869165 | erot = 3.49764131752706 | epot = -38.1237685559037 | etot = -31.035154299685 -185000 ekin = 3.59874593561893 | erot = 3.34180949424636 | epot = -38.034561395544 | etot = -31.0940059656787 -186000 ekin = 3.55637392703386 | erot = 3.60010534755649 | epot = -37.9685691221059 | etot = -30.8120898475155 -187000 ekin = 3.30341471869178 | erot = 3.63282669533315 | epot = -37.9082034969873 | etot = -30.9719620829624 -188000 ekin = 3.25151380843724 | erot = 3.41587081506784 | epot = -37.8374520507026 | etot = -31.1700674271975 -189000 ekin = 3.09888859581596 | erot = 3.51324139411321 | epot = -37.7831379378027 | etot = -31.1710079478736 -190000 ekin = 2.93096647890479 | erot = 3.73100049541747 | epot = -37.7090579094218 | etot = -31.0470909350995 -191000 ekin = 2.78845789536297 | erot = 3.59181404756272 | epot = -37.6234731970087 | etot = -31.243201254083 -192000 ekin = 2.6870850400641 | erot = 3.91911783313644 | epot = -37.5268833853882 | etot = -30.9206805121877 -193000 ekin = 2.65091164661283 | erot = 3.82754219131909 | epot = -37.4213833049328 | etot = -30.9429294670009 -194000 ekin = 2.55372434146197 | erot = 3.81228833556049 | epot = -37.3433541779818 | etot = -30.9773415009593 -195000 ekin = 2.54515296633903 | erot = 3.77157425987469 | epot = -37.2550689450338 | etot = -30.93834171882 -196000 ekin = 2.57228739351373 | erot = 3.48448370430651 | epot = -37.1707275909679 | etot = -31.1139564931476 -197000 ekin = 2.47659034250724 | erot = 3.3178807523235 | epot = -37.1125490303325 | etot = -31.3180779355017 -198000 ekin = 2.47817611131603 | erot = 3.41593598489791 | epot = -37.0628542395746 | etot = -31.1687421433607 -199000 ekin = 2.46398696321841 | erot = 3.79330738397075 | epot = -37.0410272717133 | etot = -30.7837329245241 -200000 ekin = 2.66032750534599 | erot = 3.50045834258025 | epot = -37.0560186461539 | etot = -30.8952327982277 -201000 ekin = 2.82925423269706 | erot = 3.87280363693021 | epot = -37.1094527749142 | etot = -30.4073949052869 -202000 ekin = 2.87690134773418 | erot = 3.73724666810618 | epot = -37.1548849140445 | etot = -30.5407368982041 -203000 ekin = 3.09789929071276 | erot = 3.5468763526948 | epot = -37.1913390618664 | etot = -30.5465634184588 -204000 ekin = 3.22497830820396 | erot = 3.52082166300899 | epot = -37.2064645595877 | etot = -30.4606645883747 -205000 ekin = 3.08968228459861 | erot = 3.62768693137644 | epot = -37.2539593887054 | etot = -30.5365901727303 -206000 ekin = 3.11014150174799 | erot = 3.7385678659097 | epot = -37.3166778706671 | etot = -30.4679685030094 -207000 ekin = 3.1829453735337 | erot = 4.25652712659364 | epot = -37.3463184168163 | etot = -29.9068459166889 -208000 ekin = 3.18396090757435 | erot = 4.43896014450647 | epot = -37.3566061410103 | etot = -29.7336850889295 -209000 ekin = 3.31348354672036 | erot = 3.97662877739666 | epot = -37.3764215045059 | etot = -30.0863091803889 -210000 ekin = 3.17486958285111 | erot = 3.68714944924479 | epot = -37.3622513109276 | etot = -30.5002322788317 -211000 ekin = 3.24777381738383 | erot = 3.39112189744184 | epot = -37.3847088569506 | etot = -30.7458131421249 -212000 ekin = 3.1218235472922 | erot = 3.15133571404841 | epot = -37.4262282165351 | etot = -31.1530689551944 -213000 ekin = 3.12323090197305 | erot = 3.03298058440252 | epot = -37.4993866522037 | etot = -31.3431751658281 -214000 ekin = 3.02782055391862 | erot = 3.51893074263816 | epot = -37.6187398888692 | etot = -31.0719885923124 -215000 ekin = 3.08902625374248 | erot = 3.6205495251311 | epot = -37.8003692924877 | etot = -31.0907935136142 -216000 ekin = 3.04029181666715 | erot = 4.36545701920723 | epot = -38.008684651192 | etot = -30.6029358153176 -217000 ekin = 3.11869416684302 | erot = 4.23835788568566 | epot = -38.175518074188 | etot = -30.8184660216593 -218000 ekin = 3.12136726795469 | erot = 3.996273681316 | epot = -38.3382201370156 | etot = -31.2205791877449 -219000 ekin = 3.24749965239936 | erot = 4.03289859762057 | epot = -38.4910930976407 | etot = -31.2106948476207 -220000 ekin = 3.19731650656636 | erot = 4.16726840142139 | epot = -38.6410163306452 | etot = -31.2764314226575 -221000 ekin = 3.14591003185417 | erot = 4.47643673281146 | epot = -38.7807221211561 | etot = -31.1583753564904 -222000 ekin = 3.06194834255762 | erot = 4.40957176775777 | epot = -38.8960295960945 | etot = -31.4245094857791 -223000 ekin = 3.09392792198329 | erot = 4.36929377800849 | epot = -38.9696160320109 | etot = -31.5063943320191 -224000 ekin = 3.18434099924859 | erot = 4.67414126058087 | epot = -39.0019773177328 | etot = -31.1434950579034 -225000 ekin = 3.26887097312568 | erot = 4.32849031089059 | epot = -39.0446790784002 | etot = -31.4473177943839 -226000 ekin = 3.21195731331507 | erot = 5.11387401999727 | epot = -39.0947841174991 | etot = -30.7689527841868 -227000 ekin = 3.12036258026493 | erot = 5.06347912205035 | epot = -39.0762383614625 | etot = -30.8923966591473 -228000 ekin = 3.09996729726211 | erot = 5.29564700287474 | epot = -39.020898871325 | etot = -30.6252845711882 -229000 ekin = 3.038979337959 | erot = 5.24780237112316 | epot = -38.9575212211327 | etot = -30.6707395120505 -230000 ekin = 3.00051887289145 | erot = 4.62162674048173 | epot = -38.9098464143819 | etot = -31.2877008010087 -231000 ekin = 2.91912781370869 | erot = 4.1632154756593 | epot = -38.8503568044397 | etot = -31.7680135150717 -232000 ekin = 2.80548407611273 | erot = 4.26963451717883 | epot = -38.7971045932123 | etot = -31.7219859999207 -233000 ekin = 2.921352071703 | erot = 4.30663886521624 | epot = -38.7943069633022 | etot = -31.5663160263829 -234000 ekin = 2.89875675710069 | erot = 4.15218445741156 | epot = -38.7953536145697 | etot = -31.7444124000574 -235000 ekin = 2.99243729544443 | erot = 3.66858116296991 | epot = -38.7881689836611 | etot = -32.1271505252468 -236000 ekin = 3.05722012426339 | erot = 3.77007572255966 | epot = -38.8307946718327 | etot = -32.0034988250097 -237000 ekin = 2.9379768603675 | erot = 4.00589644921924 | epot = -38.9299465153368 | etot = -31.9860732057501 -238000 ekin = 2.94144352009249 | erot = 3.88111097233611 | epot = -39.049865747263 | etot = -32.2273112548344 -239000 ekin = 3.10382951223872 | erot = 3.96380163382862 | epot = -39.1526703213399 | etot = -32.0850391752726 -240000 ekin = 3.05998182778603 | erot = 4.32395093282876 | epot = -39.2052189603878 | etot = -31.821286199773 -241000 ekin = 3.07091800265519 | erot = 4.10063821004071 | epot = -39.2356744872186 | etot = -32.0641182745227 -242000 ekin = 2.97211136503678 | erot = 4.19271702506008 | epot = -39.2591861941866 | etot = -32.0943578040897 -243000 ekin = 2.88784895332254 | erot = 4.01063377556437 | epot = -39.2721844581365 | etot = -32.3737017292496 -244000 ekin = 2.72034159299268 | erot = 3.94970789536676 | epot = -39.2969463203695 | etot = -32.62689683201 -245000 ekin = 2.73288139378785 | erot = 4.2955252560862 | epot = -39.3467303394195 | etot = -32.3183236895454 -246000 ekin = 2.68282749729222 | erot = 4.4395870918117 | epot = -39.40368508993 | etot = -32.2812705008261 -247000 ekin = 2.73156079717722 | erot = 4.29997633507679 | epot = -39.4831744493475 | etot = -32.4516373170935 -248000 ekin = 2.71615239962783 | erot = 4.48384110145858 | epot = -39.562569036112 | etot = -32.3625755350256 -249000 ekin = 2.72571373834887 | erot = 4.53350194835673 | epot = -39.6161562336933 | etot = -32.3569405469877 -250000 ekin = 2.67302825179687 | erot = 5.17929377781993 | epot = -39.6758534551746 | etot = -31.8235314255578 -251000 ekin = 2.65073658987032 | erot = 5.39364408144152 | epot = -39.7013652486053 | etot = -31.6569845772935 -252000 ekin = 2.81604561937354 | erot = 5.50799647083818 | epot = -39.6939189845584 | etot = -31.3698768943466 -253000 ekin = 2.83629985586584 | erot = 4.91166111825353 | epot = -39.6825773475312 | etot = -31.9346163734119 -254000 ekin = 2.79908189634042 | erot = 4.88281944777358 | epot = -39.6620010988141 | etot = -31.9800997547001 -255000 ekin = 2.84238496514407 | erot = 4.79166487708071 | epot = -39.6680683880921 | etot = -32.0340185458674 -256000 ekin = 2.82611571908345 | erot = 4.38756969310689 | epot = -39.7220228798982 | etot = -32.5083374677078 -257000 ekin = 2.78077325096868 | erot = 4.56426394538529 | epot = -39.765795760232 | etot = -32.420758563878 -258000 ekin = 2.84466353932839 | erot = 4.94939241805623 | epot = -39.7743058264471 | etot = -31.9802498690625 -259000 ekin = 2.82994372921752 | erot = 4.84156348043274 | epot = -39.784508432178 | etot = -32.1130012225277 -260000 ekin = 2.84769599243485 | erot = 4.63369709433915 | epot = -39.8060470464451 | etot = -32.3246539596711 -261000 ekin = 2.87237157835355 | erot = 4.51865061212274 | epot = -39.7979847736534 | etot = -32.4069625831772 -262000 ekin = 2.96750612225969 | erot = 4.57561390426951 | epot = -39.7782660470081 | etot = -32.2351460204789 -263000 ekin = 2.99289365842386 | erot = 4.20953311292942 | epot = -39.745321167764 | etot = -32.5428943964107 -264000 ekin = 3.02610258005876 | erot = 4.41804994162533 | epot = -39.7005266944524 | etot = -32.2563741727683 -265000 ekin = 3.02210011112748 | erot = 4.29011549844086 | epot = -39.6578667285882 | etot = -32.3456511190199 -266000 ekin = 2.95526029973602 | erot = 3.97220133607363 | epot = -39.5863143733948 | etot = -32.6588527375852 -267000 ekin = 2.96306286479385 | erot = 4.39982365552045 | epot = -39.5117362736934 | etot = -32.1488497533791 -268000 ekin = 2.98837918599786 | erot = 4.59043107838108 | epot = -39.4346030266012 | etot = -31.8557927622223 -269000 ekin = 2.92733730866711 | erot = 4.81492520489309 | epot = -39.3017884762548 | etot = -31.5595259626946 -270000 ekin = 2.90335610024265 | erot = 4.98515255872077 | epot = -39.1437745457484 | etot = -31.255265886785 -271000 ekin = 2.87611923369233 | erot = 5.02631285080424 | epot = -38.9919498909518 | etot = -31.0895178064552 -272000 ekin = 2.87770260774598 | erot = 4.83651556609765 | epot = -38.840809395014 | etot = -31.1265912211704 -273000 ekin = 2.77329089721178 | erot = 4.69693225863749 | epot = -38.6610493537943 | etot = -31.190826197945 -274000 ekin = 2.68625637002662 | erot = 4.51669986790576 | epot = -38.4509728982942 | etot = -31.2480166603618 -275000 ekin = 2.60330324454304 | erot = 4.20171703621295 | epot = -38.218249935628 | etot = -31.413229654872 -276000 ekin = 2.5718307631142 | erot = 3.79152446287654 | epot = -38.0174336495133 | etot = -31.6540784235226 -277000 ekin = 2.49975386368567 | erot = 3.59614150828635 | epot = -37.8474968832235 | etot = -31.7516015112514 -278000 ekin = 2.46398069339708 | erot = 3.65098267442642 | epot = -37.6582057642293 | etot = -31.5432423964058 -279000 ekin = 2.48339824565313 | erot = 3.67548575635034 | epot = -37.5048702413578 | etot = -31.3459862393544 -280000 ekin = 2.53376634761126 | erot = 3.55656380463981 | epot = -37.3937621487776 | etot = -31.3034319965265 -281000 ekin = 2.67002406168562 | erot = 3.81689537677424 | epot = -37.3207483356567 | etot = -30.8338288971968 -282000 ekin = 2.63534042744473 | erot = 3.62617225051185 | epot = -37.2561498174831 | etot = -30.9946371395265 -283000 ekin = 2.62204960593212 | erot = 3.60063437351288 | epot = -37.1865464899413 | etot = -30.9638625104963 -284000 ekin = 2.67681575008792 | erot = 3.61566503901022 | epot = -37.1459845078296 | etot = -30.8535037187314 -285000 ekin = 2.71360352201124 | erot = 3.48822466196448 | epot = -37.1436040722676 | etot = -30.9417758882919 -286000 ekin = 2.72409949367872 | erot = 3.69046973300093 | epot = -37.1515114688671 | etot = -30.7369422421875 -287000 ekin = 2.78141221541724 | erot = 3.56169254019551 | epot = -37.1836412585712 | etot = -30.8405365029585 -288000 ekin = 2.93111949257215 | erot = 3.85252275716863 | epot = -37.2722312757955 | etot = -30.4885890260547 -289000 ekin = 3.22039073654111 | erot = 3.65796134125561 | epot = -37.4105935842029 | etot = -30.5322415064062 -290000 ekin = 3.45543672952173 | erot = 3.63587074171862 | epot = -37.5601919395408 | etot = -30.4688844683004 -291000 ekin = 3.52760878967904 | erot = 4.20430698093704 | epot = -37.7322836777774 | etot = -30.0003679071614 -292000 ekin = 3.68972381818918 | erot = 4.12076553978675 | epot = -37.9100323199299 | etot = -30.099542961954 -293000 ekin = 3.83177225674866 | erot = 4.37726484522711 | epot = -38.0821109906698 | etot = -29.873073888694 -294000 ekin = 4.06640459910184 | erot = 3.74462680595312 | epot = -38.1926156973086 | etot = -30.3815842922536 -295000 ekin = 4.21784736111051 | erot = 3.82616484716773 | epot = -38.2890286287626 | etot = -30.2450164204843 -296000 ekin = 4.26440738773642 | erot = 3.95694734709946 | epot = -38.3824567525617 | etot = -30.1611020177258 -297000 ekin = 4.04618321058694 | erot = 4.11344152769738 | epot = -38.4823151027029 | etot = -30.3226903644186 -298000 ekin = 4.04534420229638 | erot = 4.08413503201913 | epot = -38.5648464298593 | etot = -30.4353671955438 -299000 ekin = 4.05890996735844 | erot = 4.75454163668528 | epot = -38.6394632376441 | etot = -29.8260116336004 -300000 ekin = 4.0635552245577 | erot = 4.46292256841634 | epot = -38.7062117520834 | etot = -30.1797339591093 -301000 ekin = 4.01853385887666 | erot = 4.67242188374991 | epot = -38.7555551980346 | etot = -30.064599455408 -302000 ekin = 3.97170308302892 | erot = 4.62245717998414 | epot = -38.7884989680144 | etot = -30.1943387050014 -303000 ekin = 4.00670279913505 | erot = 4.89772983741924 | epot = -38.7992363136571 | etot = -29.8948036771028 -304000 ekin = 3.81374525151675 | erot = 4.65389365987343 | epot = -38.8327396351168 | etot = -30.3651007237266 -305000 ekin = 3.70792918499057 | erot = 4.53646691129898 | epot = -38.8671341843094 | etot = -30.6227380880198 -306000 ekin = 3.5851913585686 | erot = 4.40317156262038 | epot = -38.8961174826079 | etot = -30.9077545614189 -307000 ekin = 3.52830601019323 | erot = 4.12955816022915 | epot = -38.9381266871204 | etot = -31.280262516698 -308000 ekin = 3.37444573697906 | erot = 3.65266283146944 | epot = -38.9820449321947 | etot = -31.9549363637462 -309000 ekin = 3.29877896595899 | erot = 4.06788139443835 | epot = -39.036569619858 | etot = -31.6699092594607 -310000 ekin = 3.27216182566105 | erot = 3.86752279813193 | epot = -39.0649343092174 | etot = -31.9252496854244 -311000 ekin = 3.26050147382305 | erot = 3.90928978323582 | epot = -39.0580520931937 | etot = -31.8882608361348 -312000 ekin = 3.18483009089521 | erot = 3.90959546619214 | epot = -39.0257212693581 | etot = -31.9312957122708 -313000 ekin = 3.09609326591795 | erot = 3.75025646421262 | epot = -38.9535227577839 | etot = -32.1071730276533 -314000 ekin = 2.95184537018542 | erot = 4.07381717812341 | epot = -38.8888909934783 | etot = -31.8632284451695 -315000 ekin = 2.92238623527567 | erot = 3.96815066682739 | epot = -38.8370494801768 | etot = -31.9465125780737 -316000 ekin = 2.71301507861596 | erot = 3.80807978932931 | epot = -38.799834574398 | etot = -32.2787397064527 -317000 ekin = 2.71357150367647 | erot = 4.15190966526565 | epot = -38.7626719044115 | etot = -31.8971907354694 -318000 ekin = 2.62158267835359 | erot = 4.27134701113436 | epot = -38.7271070788676 | etot = -31.8341773893796 -319000 ekin = 2.55366548062862 | erot = 4.41350408683203 | epot = -38.7297464727616 | etot = -31.7625769053009 -320000 ekin = 2.43397240538545 | erot = 4.29070167476848 | epot = -38.7203908826319 | etot = -31.995716802478 -321000 ekin = 2.4091696193894 | erot = 4.08120981437134 | epot = -38.7041016741435 | etot = -32.2137222403828 -322000 ekin = 2.40921951438691 | erot = 3.84656254092884 | epot = -38.6896664254558 | etot = -32.4338843701401 -323000 ekin = 2.47763175846149 | erot = 3.74024157191534 | epot = -38.6582034756258 | etot = -32.440330145249 -324000 ekin = 2.50557286685258 | erot = 3.62726015904489 | epot = -38.6277589097223 | etot = -32.4949258838248 -325000 ekin = 2.46128003790469 | erot = 3.30955838055057 | epot = -38.6182210526501 | etot = -32.8473826341949 -326000 ekin = 2.5036042222413 | erot = 3.11309077075945 | epot = -38.6155228491478 | etot = -32.998827856147 -327000 ekin = 2.58559564340014 | erot = 3.03172964208485 | epot = -38.6235874334492 | etot = -33.0062621479642 -328000 ekin = 2.7498426607985 | erot = 3.02808338407904 | epot = -38.6550386035095 | etot = -32.8771125586319 -329000 ekin = 2.91966436364517 | erot = 2.97144348177553 | epot = -38.6820454853232 | etot = -32.7909376399025 -330000 ekin = 3.01494295487831 | erot = 3.44138384990523 | epot = -38.7383158304586 | etot = -32.2819890256751 -331000 ekin = 3.02442201542035 | erot = 3.78657407910216 | epot = -38.7939596216321 | etot = -31.9829635271096 -332000 ekin = 3.04445691127442 | erot = 3.8278890195312 | epot = -38.8517978078766 | etot = -31.979451877071 -333000 ekin = 3.03465557138406 | erot = 3.68623317701473 | epot = -38.9019287356726 | etot = -32.1810399872738 -334000 ekin = 2.98091475863421 | erot = 3.87909097065042 | epot = -38.9429458678105 | etot = -32.0829401385258 -335000 ekin = 3.18730692360931 | erot = 3.9229815323581 | epot = -38.9915367606724 | etot = -31.881248304705 -336000 ekin = 3.28082580011883 | erot = 4.25501923477972 | epot = -39.0382949038811 | etot = -31.5024498689825 -337000 ekin = 3.33075954016498 | erot = 4.58632261209064 | epot = -39.0662594017922 | etot = -31.1491772495366 -338000 ekin = 3.31328438683345 | erot = 4.17966745642974 | epot = -39.0415239975115 | etot = -31.5485721542483 -339000 ekin = 3.33917527804133 | erot = 4.28130062815462 | epot = -38.9842917012714 | etot = -31.3638157950755 -340000 ekin = 3.33492148280262 | erot = 4.35651035139101 | epot = -38.8943885223068 | etot = -31.2029566881131 -341000 ekin = 3.34614172096363 | erot = 4.05115720989153 | epot = -38.7823758155587 | etot = -31.3850768847036 -342000 ekin = 3.34251507796678 | erot = 4.42814474655728 | epot = -38.6331517957714 | etot = -30.8624919712473 -343000 ekin = 3.20631341754612 | erot = 3.78967989344564 | epot = -38.4960486393224 | etot = -31.5000553283306 -344000 ekin = 3.07148244251153 | erot = 3.87583965670226 | epot = -38.3948328820768 | etot = -31.447510782863 -345000 ekin = 3.09789874291703 | erot = 3.99460565240904 | epot = -38.3201974875894 | etot = -31.2276930922633 -346000 ekin = 3.02500081268322 | erot = 3.91508207831951 | epot = -38.27506306136 | etot = -31.3349801703573 -347000 ekin = 2.94406849477762 | erot = 3.8622967016244 | epot = -38.2289722622904 | etot = -31.4226070658884 -348000 ekin = 2.95641250006426 | erot = 3.72625853383772 | epot = -38.1919210104045 | etot = -31.5092499765026 -349000 ekin = 3.03918076184473 | erot = 3.94202050743586 | epot = -38.1810668298085 | etot = -31.1998655605279 -350000 ekin = 3.09062612520389 | erot = 3.91215331884812 | epot = -38.2023245264386 | etot = -31.1995450823866 -351000 ekin = 3.13831719496464 | erot = 3.99916602553218 | epot = -38.2111529945909 | etot = -31.0736697740941 -352000 ekin = 3.10196313130342 | erot = 3.92254342354138 | epot = -38.2543166357448 | etot = -31.2298100809 -353000 ekin = 3.17266611312433 | erot = 3.89473509639757 | epot = -38.3205511283306 | etot = -31.2531499188087 -354000 ekin = 3.20288707130886 | erot = 4.38957454856396 | epot = -38.3888699269268 | etot = -30.796408307054 -355000 ekin = 3.1596595759597 | erot = 4.27393537405652 | epot = -38.4369161779509 | etot = -31.0033212279347 -356000 ekin = 3.0196784402613 | erot = 4.46559381130417 | epot = -38.4622452099032 | etot = -30.9769729583378 -357000 ekin = 2.97836465744993 | erot = 4.24123654485003 | epot = -38.4340474220209 | etot = -31.214446219721 -358000 ekin = 2.90298621775703 | erot = 4.00214290087722 | epot = -38.3669225243923 | etot = -31.4617934057581 -359000 ekin = 2.89703951576627 | erot = 3.75540528896982 | epot = -38.2596281019022 | etot = -31.6071832971661 -360000 ekin = 2.89517468979402 | erot = 3.69844688179083 | epot = -38.1408983158931 | etot = -31.5472767443082 -361000 ekin = 2.80138616808295 | erot = 3.38323529451502 | epot = -38.0246589917391 | etot = -31.8400375291411 -362000 ekin = 2.77162168417612 | erot = 2.91331523066537 | epot = -37.9398868290149 | etot = -32.2549499141734 -363000 ekin = 2.78539815378433 | erot = 2.68460040337589 | epot = -37.8665635409938 | etot = -32.3965649838336 -364000 ekin = 2.6806781219229 | erot = 2.78677391239236 | epot = -37.7617899033784 | etot = -32.2943378690631 -365000 ekin = 2.54070043685876 | erot = 2.83653994835753 | epot = -37.6554311404474 | etot = -32.2781907552311 -366000 ekin = 2.41606481092138 | erot = 2.86609766611192 | epot = -37.5516282283376 | etot = -32.2694657513043 -367000 ekin = 2.46811866465482 | erot = 3.34221140329 | epot = -37.4475028758826 | etot = -31.6371728079378 -368000 ekin = 2.42926223365494 | erot = 3.33046663396725 | epot = -37.3674460967945 | etot = -31.6077172291723 -369000 ekin = 2.43816169312792 | erot = 3.26459431026916 | epot = -37.3019788371043 | etot = -31.5992228337072 -370000 ekin = 2.46038177337525 | erot = 3.10066469966251 | epot = -37.2626057339964 | etot = -31.7015592609586 -371000 ekin = 2.44062438526228 | erot = 2.87778487491551 | epot = -37.2539180634397 | etot = -31.9355088032619 -372000 ekin = 2.4119643832672 | erot = 3.07515188922145 | epot = -37.3089635753533 | etot = -31.8218473028647 -373000 ekin = 2.48050565170775 | erot = 3.18196875652298 | epot = -37.4397878357735 | etot = -31.7773134275428 -374000 ekin = 2.63530688061921 | erot = 3.59156982435214 | epot = -37.5884648424034 | etot = -31.3615881374321 -375000 ekin = 2.68283894448257 | erot = 3.3245108406823 | epot = -37.7715422578285 | etot = -31.7641924726636 -376000 ekin = 2.79488034579907 | erot = 3.22988532668875 | epot = -38.0009039102152 | etot = -31.9761382377273 -377000 ekin = 2.97793932778636 | erot = 3.1487944738539 | epot = -38.2360750185572 | etot = -32.1093412169169 -378000 ekin = 3.04959845592823 | erot = 3.49481966296083 | epot = -38.5013695235687 | etot = -31.9569514046797 -379000 ekin = 3.19106410727104 | erot = 3.36561045250103 | epot = -38.7688607813371 | etot = -32.2121862215651 -380000 ekin = 3.25183572215722 | erot = 3.58875776192795 | epot = -39.0288452181148 | etot = -32.1882517340297 -381000 ekin = 3.33794215221589 | erot = 3.69339177566719 | epot = -39.3017064605086 | etot = -32.2703725326255 -382000 ekin = 3.49270190624137 | erot = 3.86829998834039 | epot = -39.5268729273469 | etot = -32.1658710327651 -383000 ekin = 3.55662169084774 | erot = 3.53333329088007 | epot = -39.726779107516 | etot = -32.6368241257882 -384000 ekin = 3.69351012028544 | erot = 3.28268730044336 | epot = -39.8789874723582 | etot = -32.9027900516294 -385000 ekin = 3.68733706037504 | erot = 3.68055641648011 | epot = -39.999883925349 | etot = -32.6319904484938 -386000 ekin = 3.71694831249284 | erot = 3.79434784508062 | epot = -40.0869801892988 | etot = -32.5756840317253 -387000 ekin = 3.76861509268673 | erot = 3.88558369375086 | epot = -40.1715737743675 | etot = -32.5173749879299 -388000 ekin = 3.8301760688337 | erot = 4.20859412334347 | epot = -40.2007323597247 | etot = -32.1619621675475 -389000 ekin = 3.86768485031758 | erot = 3.99003783907099 | epot = -40.1899129305042 | etot = -32.3321902411156 -390000 ekin = 3.97485559059841 | erot = 3.73907035926306 | epot = -40.1534652302146 | etot = -32.4395392803531 -391000 ekin = 3.99255423920738 | erot = 3.459854141016 | epot = -40.0955220791989 | etot = -32.6431136989755 -392000 ekin = 4.01983776245668 | erot = 3.684257426475 | epot = -39.9999647918604 | etot = -32.2958696029287 -393000 ekin = 4.02356764424247 | erot = 3.83787437414721 | epot = -39.8549016020689 | etot = -31.9934595836793 -394000 ekin = 3.93980876114322 | erot = 3.99211744164119 | epot = -39.7011477670266 | etot = -31.7692215642422 -395000 ekin = 4.11174368478723 | erot = 3.75033473410246 | epot = -39.5451859148434 | etot = -31.6831074959538 -396000 ekin = 4.20376876107167 | erot = 3.67040632781357 | epot = -39.394880998087 | etot = -31.5207059092017 -397000 ekin = 4.13633572842997 | erot = 3.65151581957605 | epot = -39.2564297317577 | etot = -31.4685781837517 -398000 ekin = 4.13905245601627 | erot = 3.71620600673367 | epot = -39.093596770216 | etot = -31.2383383074661 -399000 ekin = 4.10332411545528 | erot = 3.71374971681591 | epot = -38.9205234935042 | etot = -31.103449661233 -400000 ekin = 4.06766016908479 | erot = 3.42139504654381 | epot = -38.7497473150009 | etot = -31.2606920993723 -401000 ekin = 3.97284164111999 | erot = 3.81120481171761 | epot = -38.6001977504163 | etot = -30.8161512975787 -402000 ekin = 3.90587383547465 | erot = 3.53418826218585 | epot = -38.4681757167877 | etot = -31.0281136191272 -403000 ekin = 3.91259869514561 | erot = 3.63738639184103 | epot = -38.3230308363684 | etot = -30.7730457493818 -404000 ekin = 3.79936006877832 | erot = 3.32641249272552 | epot = -38.2009092385689 | etot = -31.0751366770651 -405000 ekin = 3.8251759680116 | erot = 3.13064904024261 | epot = -38.1553776059004 | etot = -31.1995525976462 -406000 ekin = 3.73725599382609 | erot = 3.08306268157751 | epot = -38.1316917306566 | etot = -31.311373055253 -407000 ekin = 3.726517750459 | erot = 3.09861818078622 | epot = -38.1634910279953 | etot = -31.3383550967501 -408000 ekin = 3.79931976439459 | erot = 3.25718386016374 | epot = -38.2217683212397 | etot = -31.1652646966814 -409000 ekin = 3.95093187918724 | erot = 3.4395040977601 | epot = -38.2689453197333 | etot = -30.8785093427859 -410000 ekin = 4.07121708138889 | erot = 3.83760071106058 | epot = -38.3189798432044 | etot = -30.4101620507549 -411000 ekin = 4.23307978558165 | erot = 3.98162063698057 | epot = -38.3721329673504 | etot = -30.1574325447882 -412000 ekin = 4.241170808143 | erot = 3.99737193476948 | epot = -38.4124767699443 | etot = -30.1739340270318 -413000 ekin = 4.23580670923547 | erot = 3.8106439850279 | epot = -38.4212920990952 | etot = -30.3748414048318 -414000 ekin = 4.27445938143083 | erot = 3.9812454132049 | epot = -38.4106571527341 | etot = -30.1549523580983 -415000 ekin = 4.38899479005091 | erot = 3.80279226112388 | epot = -38.3596783722964 | etot = -30.1678913211216 -416000 ekin = 4.45628965411063 | erot = 3.63102956113277 | epot = -38.3042311126166 | etot = -30.2169118973732 -417000 ekin = 4.49028461121067 | erot = 3.62754419665983 | epot = -38.25831980893 | etot = -30.1404910010595 -418000 ekin = 4.45936601962003 | erot = 3.71144506663837 | epot = -38.1813464675297 | etot = -30.0105353812713 -419000 ekin = 4.38379837521008 | erot = 3.33513327030905 | epot = -38.0724868069419 | etot = -30.3535551614228 -420000 ekin = 4.283111933024 | erot = 3.09826419668605 | epot = -37.9370678690097 | etot = -30.5556917392996 -421000 ekin = 4.152480975106 | erot = 3.56237827808224 | epot = -37.7709210423883 | etot = -30.0560617892 -422000 ekin = 3.95490687211588 | erot = 3.47480957997332 | epot = -37.5854884820709 | etot = -30.1557720299817 -423000 ekin = 3.91714305790356 | erot = 3.4847628632339 | epot = -37.3949936437694 | etot = -29.9930877226319 -424000 ekin = 3.84213202460288 | erot = 3.52777059768033 | epot = -37.2158434462617 | etot = -29.8459408239785 -425000 ekin = 3.71924289661388 | erot = 3.33663609660611 | epot = -37.072252600123 | etot = -30.016373606903 -426000 ekin = 3.64441997260647 | erot = 3.36227935441014 | epot = -36.9667678357551 | etot = -29.9600685087385 -427000 ekin = 3.75655721345781 | erot = 3.37897054079373 | epot = -36.8611280898055 | etot = -29.7256003355539 -428000 ekin = 3.74409443646521 | erot = 3.1773287235424 | epot = -36.742715037602 | etot = -29.8212918775944 -429000 ekin = 3.6632902831786 | erot = 2.78764787478687 | epot = -36.6486255145436 | etot = -30.1976873565782 -430000 ekin = 3.62135290496445 | erot = 2.6733797516058 | epot = -36.560604151542 | etot = -30.2658714949717 -431000 ekin = 3.61616361793053 | erot = 2.69754710014203 | epot = -36.506732939117 | etot = -30.1930222210445 -432000 ekin = 3.49552617760825 | erot = 3.08491352170465 | epot = -36.485170074763 | etot = -29.9047303754501 -433000 ekin = 3.58020816083944 | erot = 2.88002256286314 | epot = -36.5217696117553 | etot = -30.0615388880528 -434000 ekin = 3.59867849318971 | erot = 3.0840797331355 | epot = -36.6202495320039 | etot = -29.9374913056787 -435000 ekin = 3.67331527289036 | erot = 3.42657552434419 | epot = -36.7488916307825 | etot = -29.6490008335479 -436000 ekin = 3.82088042289272 | erot = 3.65447442369897 | epot = -36.9085622220517 | etot = -29.43320737546 -437000 ekin = 3.86869421673766 | erot = 3.95470287079859 | epot = -37.0720316005957 | etot = -29.2486345130595 -438000 ekin = 4.11090595842083 | erot = 3.77540801446838 | epot = -37.2088542252226 | etot = -29.3225402523333 -439000 ekin = 4.12926159073602 | erot = 4.06917140325885 | epot = -37.351759051221 | etot = -29.1533260572261 -440000 ekin = 4.09029177261524 | erot = 4.14981299565281 | epot = -37.4912988817269 | etot = -29.2511941134588 -441000 ekin = 4.14485979348682 | erot = 4.37283240826395 | epot = -37.6181493098546 | etot = -29.1004571081038 -442000 ekin = 4.12304009572841 | erot = 4.39045893698217 | epot = -37.7155315750664 | etot = -29.2020325423558 -443000 ekin = 4.23471751438731 | erot = 4.14989601608928 | epot = -37.768614271265 | etot = -29.3840007407884 -444000 ekin = 4.35772646838224 | erot = 4.52232474512897 | epot = -37.7816885908053 | etot = -28.9016373772941 -445000 ekin = 4.39118784053262 | erot = 4.66570824296109 | epot = -37.7439950146598 | etot = -28.6870989311661 -446000 ekin = 4.39675921765031 | erot = 4.46936063153376 | epot = -37.6960851354907 | etot = -28.8299652863066 -447000 ekin = 4.35336664890442 | erot = 4.44173113672769 | epot = -37.6140263912413 | etot = -28.8189286056092 -448000 ekin = 4.28498441172979 | erot = 4.19781838322426 | epot = -37.5090341348627 | etot = -29.0262313399087 -449000 ekin = 4.31763982219652 | erot = 4.52832551746764 | epot = -37.4084017454329 | etot = -28.5624364057687 -450000 ekin = 4.34138928411261 | erot = 4.44258564037432 | epot = -37.3062489259438 | etot = -28.5222740014569 -451000 ekin = 4.30985185878605 | erot = 4.23825662962946 | epot = -37.1459619150061 | etot = -28.5978534265906 -452000 ekin = 4.32592045036098 | erot = 3.8660276663028 | epot = -36.9847035634508 | etot = -28.792755446787 -453000 ekin = 4.32845268851063 | erot = 3.54171363095618 | epot = -36.8340779762824 | etot = -28.9639116568156 -454000 ekin = 4.31011457813703 | erot = 3.79537837348597 | epot = -36.7199830616559 | etot = -28.6144901100328 -455000 ekin = 4.29550433639214 | erot = 3.85241036204668 | epot = -36.6489739160371 | etot = -28.5010592175982 -456000 ekin = 4.37032742709196 | erot = 4.00721124204773 | epot = -36.6190063800956 | etot = -28.2414677109559 -457000 ekin = 4.36426470286789 | erot = 3.85637152044941 | epot = -36.5969553476853 | etot = -28.376319124368 -458000 ekin = 4.32567014378617 | erot = 3.50123530464575 | epot = -36.5630453883135 | etot = -28.7361399398816 -459000 ekin = 4.3893381573867 | erot = 3.57401843708546 | epot = -36.5693343587042 | etot = -28.605977764232 -460000 ekin = 4.31317855607494 | erot = 4.09613513000612 | epot = -36.6229031356536 | etot = -28.2135894495725 -461000 ekin = 4.31811012640179 | erot = 4.38273826542215 | epot = -36.70247802377 | etot = -28.0016296319461 -462000 ekin = 4.3366863877001 | erot = 4.51374491218817 | epot = -36.8227361919449 | etot = -27.9723048920566 -463000 ekin = 4.27564269849664 | erot = 4.86202296781303 | epot = -36.9415310835084 | etot = -27.8038654171987 -464000 ekin = 4.25704856573543 | erot = 4.74085846897256 | epot = -37.0390079052471 | etot = -28.0411008705391 -465000 ekin = 4.27536374407092 | erot = 4.49932366093905 | epot = -37.1090432428533 | etot = -28.3343558378433 -466000 ekin = 4.30607368146068 | erot = 4.23786653917903 | epot = -37.1491605127936 | etot = -28.6052202921539 -467000 ekin = 4.2491978620046 | erot = 4.12771930877699 | epot = -37.1714598423964 | etot = -28.7945426716148 -468000 ekin = 4.39683218085591 | erot = 3.85228521386559 | epot = -37.2088712844973 | etot = -28.9597538897758 -469000 ekin = 4.64124419278982 | erot = 3.80754439193721 | epot = -37.276730222032 | etot = -28.8279416373049 -470000 ekin = 4.66178408905675 | erot = 3.92065938428513 | epot = -37.3876740781875 | etot = -28.8052306048457 -471000 ekin = 4.75392904131986 | erot = 4.24739494727095 | epot = -37.5007122646075 | etot = -28.4993882760167 -472000 ekin = 4.78287126449292 | erot = 4.29738258008793 | epot = -37.5977046601011 | etot = -28.5174508155202 -473000 ekin = 4.83746609770183 | erot = 4.38666527032485 | epot = -37.6671790710826 | etot = -28.4430477030559 -474000 ekin = 4.79054197671376 | erot = 4.34169424272138 | epot = -37.6856820094293 | etot = -28.5534457899942 -475000 ekin = 4.83235787688145 | erot = 4.21788406575012 | epot = -37.6508263787861 | etot = -28.6005844361546 -476000 ekin = 4.77650421806813 | erot = 4.23519664592598 | epot = -37.5559363402036 | etot = -28.5442354762095 -477000 ekin = 4.70149228687153 | erot = 3.94955206004049 | epot = -37.4316333722383 | etot = -28.7805890253263 -478000 ekin = 4.65828612344613 | erot = 3.52306589214554 | epot = -37.3056353897912 | etot = -29.1242833741995 -479000 ekin = 4.49034904671755 | erot = 3.69691237093679 | epot = -37.1645007343033 | etot = -28.977239316649 -480000 ekin = 4.42035953830873 | erot = 3.62614880736063 | epot = -36.9855336534948 | etot = -28.9390253078254 -481000 ekin = 4.29236052675552 | erot = 3.46283113670755 | epot = -36.778837676618 | etot = -29.0236460131549 -482000 ekin = 4.24695006747703 | erot = 3.64617122659715 | epot = -36.5783264764331 | etot = -28.685205182359 -483000 ekin = 4.27724439911399 | erot = 3.65906944039054 | epot = -36.4031794376627 | etot = -28.4668655981582 -484000 ekin = 4.2785974211617 | erot = 3.80998418987604 | epot = -36.2601336102694 | etot = -28.1715519992317 -485000 ekin = 4.21291837199932 | erot = 3.8427823044223 | epot = -36.141503315863 | etot = -28.0858026394413 -486000 ekin = 3.9839252640706 | erot = 3.69687119417294 | epot = -36.0420007851875 | etot = -28.3612043269439 -487000 ekin = 3.87685523954227 | erot = 3.52087214489094 | epot = -35.9790179936878 | etot = -28.5812906092545 -488000 ekin = 3.74675884240029 | erot = 3.80072807052997 | epot = -35.9652058586033 | etot = -28.417718945673 -489000 ekin = 3.61099051841834 | erot = 4.09702697313287 | epot = -35.9887686799326 | etot = -28.2807511883814 -490000 ekin = 3.72073699277815 | erot = 3.89157882585025 | epot = -36.0103724524783 | etot = -28.3980566338499 -491000 ekin = 3.72740917275115 | erot = 4.01795497893002 | epot = -36.0292354570353 | etot = -28.2838713053542 -492000 ekin = 3.67547789628858 | erot = 3.85969822517316 | epot = -36.0430681478948 | etot = -28.507892026433 -493000 ekin = 3.65198421841226 | erot = 3.75518718738361 | epot = -36.0824152706771 | etot = -28.6752438648813 -494000 ekin = 3.4852821998486 | erot = 3.8153550877854 | epot = -36.1423710455837 | etot = -28.8417337579497 -495000 ekin = 3.31359070882208 | erot = 4.11558724766118 | epot = -36.2268684383707 | etot = -28.7976904818874 -496000 ekin = 3.27798311005969 | erot = 3.88806115727323 | epot = -36.3363270902379 | etot = -29.170282822905 -497000 ekin = 3.23000081873816 | erot = 4.5315385178341 | epot = -36.481720183114 | etot = -28.7201808465418 -498000 ekin = 3.35490986062535 | erot = 4.76314991175258 | epot = -36.6514686581236 | etot = -28.5334088857457 -499000 ekin = 3.39102564180502 | erot = 4.99058516868934 | epot = -36.8025368986548 | etot = -28.4209260881604 -500000 ekin = 3.44319922277998 | erot = 4.29432196305736 | epot = -36.9177193599231 | etot = -29.1801981740858 -501000 ekin = 3.47746008955509 | erot = 4.289941738028 | epot = -37.0187053512324 | etot = -29.2513035236494 -502000 ekin = 3.58696948456752 | erot = 4.55410136617418 | epot = -37.1018103829437 | etot = -28.960739532202 -503000 ekin = 3.68317380855592 | erot = 4.60652443433648 | epot = -37.1620776601797 | etot = -28.8723794172873 -504000 ekin = 3.68852053014443 | erot = 4.67783023002264 | epot = -37.2052759454199 | etot = -28.8389251852528 -505000 ekin = 3.88723268453866 | erot = 4.53079850437663 | epot = -37.2950608294683 | etot = -28.877029640553 -506000 ekin = 3.80925396925163 | erot = 4.47086505886218 | epot = -37.3479933337838 | etot = -29.06787430567 -507000 ekin = 3.73248519551991 | erot = 4.21393839264144 | epot = -37.4256513139284 | etot = -29.4792277257671 -508000 ekin = 3.80672760184063 | erot = 3.93708079377005 | epot = -37.4951091449467 | etot = -29.751300749336 -509000 ekin = 3.80086991164608 | erot = 3.74333566662504 | epot = -37.5406480313395 | etot = -29.9964424530683 -510000 ekin = 3.89850649197978 | erot = 3.97775581109505 | epot = -37.5934385426631 | etot = -29.7171762395883 -511000 ekin = 3.81393185765464 | erot = 4.00469160928647 | epot = -37.6349932199755 | etot = -29.8163697530344 -512000 ekin = 3.7684396284637 | erot = 4.34524756747826 | epot = -37.6787808921542 | etot = -29.5650936962122 -513000 ekin = 3.70769437024747 | erot = 4.19222442242684 | epot = -37.7114576947707 | etot = -29.8115389020964 -514000 ekin = 3.65606306228176 | erot = 4.64296237641028 | epot = -37.7095823242883 | etot = -29.4105568855962 -515000 ekin = 3.5052281855745 | erot = 4.47916848114099 | epot = -37.6783049637298 | etot = -29.6939082970143 -516000 ekin = 3.59266443877101 | erot = 5.02978018029494 | epot = -37.6477009850688 | etot = -29.0252563660028 -517000 ekin = 3.53729866959058 | erot = 4.95641997732805 | epot = -37.644541266991 | etot = -29.1508226200724 -518000 ekin = 3.55341695305132 | erot = 4.57512459674255 | epot = -37.6532745224308 | etot = -29.5247329726369 -519000 ekin = 3.61605940841961 | erot = 4.59842321288953 | epot = -37.7181887221249 | etot = -29.5037061008158 -520000 ekin = 3.66003580736891 | erot = 4.52802897844102 | epot = -37.8184531846622 | etot = -29.6303883988522 -521000 ekin = 3.57990395101936 | erot = 4.58686564429493 | epot = -37.9529160430901 | etot = -29.7861464477758 -522000 ekin = 3.58721017350486 | erot = 4.78958389957763 | epot = -38.1056938634054 | etot = -29.7288997903229 -523000 ekin = 3.7455374895203 | erot = 4.82242710318161 | epot = -38.249659851946 | etot = -29.6816952592441 -524000 ekin = 3.8367296557297 | erot = 5.1780625575552 | epot = -38.3420385705452 | etot = -29.3272463572603 -525000 ekin = 3.97426514986068 | erot = 5.13820563111667 | epot = -38.4306455211977 | etot = -29.3181747402204 -526000 ekin = 4.03278131821146 | erot = 4.61480893928539 | epot = -38.4813375347266 | etot = -29.8337472772297 -527000 ekin = 4.15303805139338 | erot = 4.03339974605316 | epot = -38.4813261438674 | etot = -30.2948883464208 -528000 ekin = 4.34085606106391 | erot = 3.63416049936053 | epot = -38.4621670653444 | etot = -30.4871505049199 -529000 ekin = 4.53593485604709 | erot = 3.72087643644205 | epot = -38.417501648356 | etot = -30.1606903558668 -530000 ekin = 4.65836945322522 | erot = 3.5823370050418 | epot = -38.3861765288022 | etot = -30.1454700705352 -531000 ekin = 4.66519878740321 | erot = 3.41094947734083 | epot = -38.3363103504893 | etot = -30.2601620857452 -532000 ekin = 4.80041164317288 | erot = 3.07760528500134 | epot = -38.3151265786575 | etot = -30.4371096504833 -533000 ekin = 4.73180745168947 | erot = 3.06230961560373 | epot = -38.3468719461379 | etot = -30.5527548788447 -534000 ekin = 4.77276572097011 | erot = 3.01963113043202 | epot = -38.4024212860539 | etot = -30.6100244346518 -535000 ekin = 4.8569392849477 | erot = 2.8251632104728 | epot = -38.5360450508862 | etot = -30.8539425554657 -536000 ekin = 4.79265980947574 | erot = 2.9077544610961 | epot = -38.7196748122557 | etot = -31.0192605416839 -537000 ekin = 4.8694795576244 | erot = 3.00989555981224 | epot = -38.9076102830991 | etot = -31.0282351656625 -538000 ekin = 5.00269155741106 | erot = 2.68875189029915 | epot = -39.0473675460742 | etot = -31.355924098364 -539000 ekin = 4.98226102919721 | erot = 2.9218882996937 | epot = -39.1655668480607 | etot = -31.2614175191698 -540000 ekin = 4.99147016878216 | erot = 3.35574385805742 | epot = -39.2596960810253 | etot = -30.9124820541857 -541000 ekin = 4.92725844601428 | erot = 3.28345034188319 | epot = -39.3089899760125 | etot = -31.098281188115 -542000 ekin = 4.77242859226853 | erot = 3.31966912230266 | epot = -39.290238437105 | etot = -31.1981407225338 -543000 ekin = 4.65726157165086 | erot = 3.56099171692955 | epot = -39.1715392323124 | etot = -30.953285943732 -544000 ekin = 4.75158561074879 | erot = 2.98586301386342 | epot = -39.0000211966266 | etot = -31.2625725720144 -545000 ekin = 4.71389651780192 | erot = 3.29722166624284 | epot = -38.8124009343347 | etot = -30.8012827502899 -546000 ekin = 4.59452933616211 | erot = 3.65785900566388 | epot = -38.6597531372896 | etot = -30.4073647954636 -547000 ekin = 4.49485576841329 | erot = 3.52227156689634 | epot = -38.5261493757316 | etot = -30.509022040422 -548000 ekin = 4.49472654055115 | erot = 3.49603087938245 | epot = -38.3944216290951 | etot = -30.4036642091615 -549000 ekin = 4.39213180937533 | erot = 3.53228763855232 | epot = -38.2774675964384 | etot = -30.3530481485108 -550000 ekin = 4.36283999146784 | erot = 3.78776441036084 | epot = -38.2051317998107 | etot = -30.054527397982 -551000 ekin = 4.3226010693823 | erot = 4.01133252124201 | epot = -38.1611801425645 | etot = -29.8272465519402 -552000 ekin = 4.33183515664561 | erot = 3.98124414472576 | epot = -38.153772138803 | etot = -29.8406928374316 -553000 ekin = 4.30534974680474 | erot = 3.81209066755014 | epot = -38.1803693007097 | etot = -30.0629288863549 -554000 ekin = 4.29335219580314 | erot = 3.80213545963908 | epot = -38.2389597407399 | etot = -30.1434720852977 -555000 ekin = 4.45825549052385 | erot = 4.03672150414325 | epot = -38.3296083261046 | etot = -29.8346313314375 -556000 ekin = 4.63230188756517 | erot = 3.70797489704037 | epot = -38.4795834327921 | etot = -30.1393066481866 -557000 ekin = 4.7062229398582 | erot = 4.51036732636183 | epot = -38.6738842895281 | etot = -29.4572940233081 -558000 ekin = 4.70612532334176 | erot = 4.30314260207011 | epot = -38.9099036274272 | etot = -29.9006357020154 -559000 ekin = 4.85842132468142 | erot = 4.45569884582871 | epot = -39.1571701897087 | etot = -29.8430500191985 -560000 ekin = 4.84667483493842 | erot = 4.2909749826346 | epot = -39.3692871188964 | etot = -30.2316373013234 -561000 ekin = 4.93080663772512 | erot = 4.40964672372479 | epot = -39.5560309503474 | etot = -30.2155775888975 -562000 ekin = 5.02786763240469 | erot = 4.09895267825196 | epot = -39.6620959555469 | etot = -30.5352756448903 -563000 ekin = 4.99483060861824 | erot = 4.56393029644404 | epot = -39.7001867829015 | etot = -30.1414258778392 -564000 ekin = 5.01292656089529 | erot = 4.4655943412775 | epot = -39.6969046345991 | etot = -30.2183837324263 -565000 ekin = 4.97924499589803 | erot = 4.56764102867122 | epot = -39.6391307119519 | etot = -30.0922446873826 -566000 ekin = 4.80472039327358 | erot = 4.49618530358116 | epot = -39.532014253858 | etot = -30.2311085570032 -567000 ekin = 4.59721417192401 | erot = 4.44898156673777 | epot = -39.3835091139999 | etot = -30.3373133753381 -568000 ekin = 4.59948947791994 | erot = 4.21619266891999 | epot = -39.1697350851653 | etot = -30.3540529383253 -569000 ekin = 4.46814520025952 | erot = 4.13625120915546 | epot = -38.9496016480665 | etot = -30.3452052386516 -570000 ekin = 4.63380574109383 | erot = 3.97471689520422 | epot = -38.718728428018 | etot = -30.11020579172 -571000 ekin = 4.51646555902281 | erot = 3.77943581302556 | epot = -38.5103017941538 | etot = -30.2144004221055 -572000 ekin = 4.44329973394602 | erot = 3.7381898397106 | epot = -38.3513010282128 | etot = -30.1698114545561 -573000 ekin = 4.48138796166295 | erot = 3.67030746094246 | epot = -38.2531080005807 | etot = -30.1014125779753 -574000 ekin = 4.57372019352159 | erot = 3.64740839838101 | epot = -38.156347689767 | etot = -29.9352190978644 -575000 ekin = 4.81962720354415 | erot = 3.58128135189807 | epot = -38.0780197446127 | etot = -29.6771111891705 -576000 ekin = 4.78739960955874 | erot = 3.16941649568994 | epot = -38.0548669136925 | etot = -30.0980508084438 -577000 ekin = 4.89624137933428 | erot = 3.37301453509229 | epot = -38.0581159208699 | etot = -29.7888600064433 -578000 ekin = 4.89993171052244 | erot = 3.39468878464203 | epot = -38.0636938795354 | etot = -29.7690733843709 -579000 ekin = 4.83297661461352 | erot = 3.08572772864731 | epot = -38.0577731810634 | etot = -30.1390688378025 -580000 ekin = 4.77298411404082 | erot = 3.09603380464132 | epot = -38.0675771405193 | etot = -30.1985592218372 -581000 ekin = 4.96965435170517 | erot = 3.06610493080443 | epot = -38.0894896837321 | etot = -30.0537304012225 -582000 ekin = 4.84477580774046 | erot = 2.99273203470777 | epot = -38.1047755328766 | etot = -30.2672676904284 -583000 ekin = 4.80184612340906 | erot = 2.99121545039794 | epot = -38.0992283827671 | etot = -30.3061668089601 -584000 ekin = 4.73999729115027 | erot = 2.9582025614058 | epot = -38.1193022601923 | etot = -30.4211024076362 -585000 ekin = 4.62963491646133 | erot = 2.99096158598542 | epot = -38.1514766562945 | etot = -30.5308801538478 -586000 ekin = 4.66196804986657 | erot = 3.11428540249501 | epot = -38.1645218154685 | etot = -30.3882683631069 -587000 ekin = 4.58446438916316 | erot = 3.26198289890957 | epot = -38.1451310277746 | etot = -30.2986837397019 -588000 ekin = 4.59050554157097 | erot = 3.37267542289071 | epot = -38.0928945920966 | etot = -30.1297136276349 -589000 ekin = 4.52148456601106 | erot = 3.20426810396368 | epot = -38.0431145518049 | etot = -30.3173618818302 -590000 ekin = 4.54292012494665 | erot = 3.1746661588888 | epot = -37.9867331121618 | etot = -30.2691468283263 -591000 ekin = 4.4671534284139 | erot = 3.30654504351679 | epot = -37.9702893954325 | etot = -30.1965909235018 -592000 ekin = 4.47491098921977 | erot = 3.6999642514397 | epot = -37.96964005272 | etot = -29.7947648120605 -593000 ekin = 4.43506697623668 | erot = 3.70250326611378 | epot = -37.982672172325 | etot = -29.8451019299745 -594000 ekin = 4.36908136306916 | erot = 3.59308231950687 | epot = -38.0038521048194 | etot = -30.0416884222434 -595000 ekin = 4.30615021787055 | erot = 3.60547435881484 | epot = -38.0517692624258 | etot = -30.1401446857404 -596000 ekin = 4.27538703974133 | erot = 3.70718417029039 | epot = -38.1072020006231 | etot = -30.1246307905914 -597000 ekin = 4.09427835861054 | erot = 3.56040857145023 | epot = -38.1368054718234 | etot = -30.4821185417626 -598000 ekin = 4.06772969179115 | erot = 3.98852753231075 | epot = -38.1357675039156 | etot = -30.0795102798136 -599000 ekin = 4.05823661502991 | erot = 3.99204411848296 | epot = -38.094416622612 | etot = -30.0441358890991 -600000 ekin = 4.14000207696602 | erot = 3.69886036268676 | epot = -38.0126500071596 | etot = -30.1737875675068 -601000 ekin = 4.14331251606218 | erot = 4.02012885446818 | epot = -37.8931408419344 | etot = -29.729699471404 -602000 ekin = 4.19175322865721 | erot = 3.63789752518648 | epot = -37.7768382304761 | etot = -29.9471874766324 -603000 ekin = 4.17700109074315 | erot = 3.33190102346874 | epot = -37.6571796612342 | etot = -30.1482775470223 -604000 ekin = 4.32110078335241 | erot = 3.37359972635297 | epot = -37.5481087406157 | etot = -29.8534082309104 -605000 ekin = 4.40829637956699 | erot = 3.12232098209626 | epot = -37.4615593717344 | etot = -29.9309420100712 -606000 ekin = 4.50978571460473 | erot = 2.82903034171764 | epot = -37.4107566252709 | etot = -30.0719405689485 -607000 ekin = 4.64775510562435 | erot = 2.72855004395394 | epot = -37.3886864614939 | etot = -30.0123813119156 -608000 ekin = 4.62515883775204 | erot = 2.6927668656574 | epot = -37.3472679127842 | etot = -30.0293422093748 -609000 ekin = 4.58072072733859 | erot = 2.72618151323749 | epot = -37.3211555189931 | etot = -30.014253278417 -610000 ekin = 4.37064710749547 | erot = 2.94205446769451 | epot = -37.3313655411416 | etot = -30.0186639659516 -611000 ekin = 4.30243700562367 | erot = 2.94482669781559 | epot = -37.3282578261779 | etot = -30.0809941227387 -612000 ekin = 4.37982748485341 | erot = 2.81236690797527 | epot = -37.3366791579242 | etot = -30.1444847650955 -613000 ekin = 4.49298433908211 | erot = 2.94229499226113 | epot = -37.3617837170398 | etot = -29.9265043856965 -614000 ekin = 4.63192250195887 | erot = 2.81948937077722 | epot = -37.3623397651557 | etot = -29.9109278924196 -615000 ekin = 4.56431794922691 | erot = 3.0411203817408 | epot = -37.3360474756729 | etot = -29.7306091447052 -616000 ekin = 4.48538645093135 | erot = 2.98636794618235 | epot = -37.2843360454654 | etot = -29.8125816483517 -617000 ekin = 4.35777724185508 | erot = 3.27046740448594 | epot = -37.2149609045278 | etot = -29.5867162581867 -618000 ekin = 4.13929013645531 | erot = 3.31436963968888 | epot = -37.1380165806133 | etot = -29.6843568044691 -619000 ekin = 3.99812604761941 | erot = 3.8069721617963 | epot = -37.0480074184854 | etot = -29.2429092090697 -620000 ekin = 3.75775297824748 | erot = 3.88935078371488 | epot = -37.0016709350121 | etot = -29.3545671730497 -621000 ekin = 3.59837254942665 | erot = 3.36974253347194 | epot = -36.9571399968608 | etot = -29.9890249139622 -622000 ekin = 3.52853751549672 | erot = 3.57220920853455 | epot = -36.9826672270776 | etot = -29.8819205030464 -623000 ekin = 3.44776927445729 | erot = 3.68524482792421 | epot = -37.0520182183616 | etot = -29.9190041159801 -624000 ekin = 3.42459051153803 | erot = 4.10039189185604 | epot = -37.1561365046956 | etot = -29.6311541013015 -625000 ekin = 3.47427533928245 | erot = 4.19316198399255 | epot = -37.3128709391508 | etot = -29.6454336158758 -626000 ekin = 3.59243588690058 | erot = 4.25331544595912 | epot = -37.4538356021372 | etot = -29.6080842692775 -627000 ekin = 3.65834270574552 | erot = 3.84587709669878 | epot = -37.5560189371567 | etot = -30.0517991347124 -628000 ekin = 3.70047562334578 | erot = 3.68821102783487 | epot = -37.6346624168371 | etot = -30.2459757656565 -629000 ekin = 3.73516234913433 | erot = 3.92476956261683 | epot = -37.7008434862915 | etot = -30.0409115745404 -630000 ekin = 3.81181204861757 | erot = 3.95913149926755 | epot = -37.7335643601767 | etot = -29.9626208122916 -631000 ekin = 3.81645534702376 | erot = 3.13210702566919 | epot = -37.7706097068457 | etot = -30.8220473341528 -632000 ekin = 3.83367227377587 | erot = 3.16390787891897 | epot = -37.8179976528052 | etot = -30.8204175001103 -633000 ekin = 3.78875173101134 | erot = 3.28627876080406 | epot = -37.8551980571895 | etot = -30.7801675653741 -634000 ekin = 3.6443572434567 | erot = 3.54689069849334 | epot = -37.8771184407041 | etot = -30.685870498754 -635000 ekin = 3.74927918910692 | erot = 3.50067245026003 | epot = -37.9120332365851 | etot = -30.6620815972182 -636000 ekin = 3.89890106913058 | erot = 3.51590480850449 | epot = -37.9883703460315 | etot = -30.5735644683965 -637000 ekin = 3.98051852239103 | erot = 3.51683885701818 | epot = -38.1188954220066 | etot = -30.6215380425974 -638000 ekin = 4.18679252196735 | erot = 3.48363716100453 | epot = -38.3003898519918 | etot = -30.6299601690199 -639000 ekin = 4.29259370089823 | erot = 3.44532403016775 | epot = -38.5009165327291 | etot = -30.7629988016631 -640000 ekin = 4.33862023546748 | erot = 3.6140024868752 | epot = -38.6627935284696 | etot = -30.710170806127 -641000 ekin = 4.47895119284614 | erot = 3.60758277909088 | epot = -38.7986251266555 | etot = -30.7120911547185 -642000 ekin = 4.48471207018753 | erot = 3.75535910837188 | epot = -38.8636204148756 | etot = -30.6235492363162 -643000 ekin = 4.56445558617346 | erot = 3.81552004634158 | epot = -38.8645537025221 | etot = -30.4845780700071 -644000 ekin = 4.7332947847572 | erot = 3.55885168491642 | epot = -38.8054956282287 | etot = -30.5133491585551 -645000 ekin = 4.69129439625574 | erot = 3.28200064721723 | epot = -38.7015474297407 | etot = -30.7282523862678 -646000 ekin = 4.5858300200132 | erot = 3.40859569463286 | epot = -38.5478616511676 | etot = -30.5534359365215 -647000 ekin = 4.60741071742922 | erot = 3.38831322436686 | epot = -38.3932861693423 | etot = -30.3975622275462 -648000 ekin = 4.51463144345975 | erot = 3.24274100333129 | epot = -38.2758434893351 | etot = -30.518471042544 -649000 ekin = 4.55491099792928 | erot = 3.31738105307143 | epot = -38.2201110845426 | etot = -30.3478190335419 -650000 ekin = 4.67226589728797 | erot = 3.60950811156238 | epot = -38.2202225605506 | etot = -29.9384485517003 -651000 ekin = 4.60851815831642 | erot = 3.77278937705218 | epot = -38.253633099544 | etot = -29.8723255641754 -652000 ekin = 4.67845920019102 | erot = 3.39376240096224 | epot = -38.2868824175934 | etot = -30.2146608164401 -653000 ekin = 4.66844839257092 | erot = 3.83803199311147 | epot = -38.3235322989533 | etot = -29.8170519132709 -654000 ekin = 4.71048953319322 | erot = 3.48299287365118 | epot = -38.3580887397251 | etot = -30.1646063328807 -655000 ekin = 4.59645355598624 | erot = 3.74782025282036 | epot = -38.4145657066931 | etot = -30.0702918978865 -656000 ekin = 4.75902771581103 | erot = 3.81874385847387 | epot = -38.4693742928372 | etot = -29.8916027185523 -657000 ekin = 4.6466802059304 | erot = 3.66656001060126 | epot = -38.4843211797294 | etot = -30.1710809631977 -658000 ekin = 4.55836001875084 | erot = 3.93329833863017 | epot = -38.4803826070965 | etot = -29.9887242497155 -659000 ekin = 4.55537392119735 | erot = 3.62854716021115 | epot = -38.4363459414659 | etot = -30.2524248600574 -660000 ekin = 4.415513333681 | erot = 3.65395590072885 | epot = -38.3663969488347 | etot = -30.2969277144248 -661000 ekin = 4.32449081576482 | erot = 3.7409091571769 | epot = -38.2884247485437 | etot = -30.223024775602 -662000 ekin = 4.23823124010357 | erot = 3.58833666048794 | epot = -38.1946280661735 | etot = -30.368060165582 -663000 ekin = 4.32618520330365 | erot = 3.71369597709404 | epot = -38.0940311251123 | etot = -30.0541499447146 -664000 ekin = 4.30987713127752 | erot = 3.55193027406448 | epot = -38.0118003167728 | etot = -30.1499929114308 -665000 ekin = 4.32971268964141 | erot = 3.40416985470625 | epot = -37.9630121098135 | etot = -30.2291295654658 -666000 ekin = 4.30397058329246 | erot = 3.24563244836278 | epot = -37.9564459426243 | etot = -30.4068429109691 -667000 ekin = 4.23802718761169 | erot = 3.57923047722669 | epot = -37.9111709997968 | etot = -30.0939133349584 -668000 ekin = 4.17750835985179 | erot = 3.42921371885248 | epot = -37.8409684237743 | etot = -30.23424634507 -669000 ekin = 4.10123021238957 | erot = 3.38759831293404 | epot = -37.7732457913401 | etot = -30.2844172660165 -670000 ekin = 3.96563796265774 | erot = 3.59480187806746 | epot = -37.6965941156385 | etot = -30.1361542749133 -671000 ekin = 3.96406262528475 | erot = 3.64073126780244 | epot = -37.5753442355429 | etot = -29.9705503424557 -672000 ekin = 4.04265318678515 | erot = 3.67979591145804 | epot = -37.4296504342376 | etot = -29.7072013359944 -673000 ekin = 3.99224066234878 | erot = 3.52190422085284 | epot = -37.3047157518842 | etot = -29.7905708686826 -674000 ekin = 3.97681715793541 | erot = 3.75368024393795 | epot = -37.1885781675146 | etot = -29.4580807656412 -675000 ekin = 3.85833621087039 | erot = 3.97050815664598 | epot = -37.1417466549722 | etot = -29.3129022874559 -676000 ekin = 3.77676206895617 | erot = 3.79811590545672 | epot = -37.1253534099229 | etot = -29.55047543551 -677000 ekin = 3.78226586281959 | erot = 3.88942769355395 | epot = -37.138562963627 | etot = -29.4668694072535 -678000 ekin = 3.61579087416923 | erot = 3.83629032138265 | epot = -37.1880190743622 | etot = -29.7359378788103 -679000 ekin = 3.59940694058676 | erot = 3.92320694106409 | epot = -37.2411006365046 | etot = -29.7184867548538 -680000 ekin = 3.59936088858668 | erot = 3.59198808770724 | epot = -37.3103059663064 | etot = -30.1189569900125 -681000 ekin = 3.55068173353926 | erot = 3.62032338399716 | epot = -37.3978871586221 | etot = -30.2268820410857 -682000 ekin = 3.64312616149461 | erot = 3.63220095729225 | epot = -37.4824268307594 | etot = -30.2070997119725 -683000 ekin = 3.59147144886471 | erot = 4.00540882269656 | epot = -37.5784304648839 | etot = -29.9815501933227 -684000 ekin = 3.72558767154378 | erot = 4.43134049971583 | epot = -37.6663536443174 | etot = -29.5094254730578 -685000 ekin = 3.75700113340411 | erot = 4.4205179107468 | epot = -37.7011506850387 | etot = -29.5236316408878 -686000 ekin = 3.68716829673498 | erot = 4.29446170846275 | epot = -37.7134415714992 | etot = -29.7318115663015 -687000 ekin = 3.64818503755745 | erot = 4.53150873331275 | epot = -37.711537143075 | etot = -29.5318433722048 -688000 ekin = 3.65898677055768 | erot = 4.19517143645003 | epot = -37.717932414298 | etot = -29.8637742072903 -689000 ekin = 3.62053492938482 | erot = 4.90634872884688 | epot = -37.7254294906479 | etot = -29.1985458324162 -690000 ekin = 3.66313798116701 | erot = 4.56796147260999 | epot = -37.7316773182822 | etot = -29.5005778645052 -691000 ekin = 3.71240687811142 | erot = 4.32729443264309 | epot = -37.6986701891449 | etot = -29.6589688783904 -692000 ekin = 3.77937222983663 | erot = 4.25209713638369 | epot = -37.6463069321163 | etot = -29.614837565896 -693000 ekin = 3.82528389687004 | erot = 4.44391854020412 | epot = -37.5813521083395 | etot = -29.3121496712654 -694000 ekin = 3.77132757417721 | erot = 4.30342910423483 | epot = -37.529253149734 | etot = -29.4544964713219 -695000 ekin = 3.87816824099576 | erot = 3.61664690986643 | epot = -37.4977174174722 | etot = -30.00290226661 -696000 ekin = 4.03561630547949 | erot = 3.14881777436795 | epot = -37.5165237009965 | etot = -30.3320896211491 -697000 ekin = 4.10221303088943 | erot = 2.74688055821585 | epot = -37.6237315563432 | etot = -30.7746379672379 -698000 ekin = 4.33198843808374 | erot = 2.54448976763407 | epot = -37.8109238872742 | etot = -30.9344456815564 -699000 ekin = 4.45835519306672 | erot = 2.83727562812266 | epot = -38.0765099491825 | etot = -30.7808791279931 -700000 ekin = 4.62566765847138 | erot = 3.20413023616691 | epot = -38.366668680577 | etot = -30.5368707859387 -701000 ekin = 4.7119895804198 | erot = 3.20500762759523 | epot = -38.6531148244762 | etot = -30.7361176164611 -702000 ekin = 4.70320353975511 | erot = 3.49669921722524 | epot = -38.9020142648732 | etot = -30.7021115078929 -703000 ekin = 4.71666592176221 | erot = 3.4360587579244 | epot = -39.0983570180766 | etot = -30.94563233839 -704000 ekin = 4.81119997223628 | erot = 3.68842954975269 | epot = -39.2326154199854 | etot = -30.7329858979964 -705000 ekin = 4.76635995985857 | erot = 4.27225880905617 | epot = -39.3045830193539 | etot = -30.2659642504391 -706000 ekin = 4.61239689007865 | erot = 4.45743851438183 | epot = -39.3303553159894 | etot = -30.2605199115289 -707000 ekin = 4.4339240392442 | erot = 5.00090751066084 | epot = -39.3012148785927 | etot = -29.8663833286877 -708000 ekin = 4.49363980378809 | erot = 4.44827137132344 | epot = -39.185594508632 | etot = -30.2436833335204 -709000 ekin = 4.38087413515997 | erot = 4.33993340714001 | epot = -39.0225667156706 | etot = -30.3017591733706 -710000 ekin = 4.30084034805687 | erot = 4.18416076229502 | epot = -38.8018325665079 | etot = -30.3168314561561 -711000 ekin = 4.16061239283927 | erot = 3.75964607710248 | epot = -38.6119256895404 | etot = -30.6916672195987 -712000 ekin = 4.02785073941563 | erot = 3.9187380855626 | epot = -38.5032151267496 | etot = -30.5566263017714 -713000 ekin = 3.91042694307514 | erot = 4.02474708082432 | epot = -38.4555203424355 | etot = -30.5203463185361 -714000 ekin = 3.91972154955273 | erot = 3.86911398530045 | epot = -38.439191113934 | etot = -30.6503555790808 -715000 ekin = 3.7943288518239 | erot = 3.97493955426896 | epot = -38.464893488298 | etot = -30.6956250822051 -716000 ekin = 3.81379173421822 | erot = 4.12773796628725 | epot = -38.5344978321894 | etot = -30.592968131684 -717000 ekin = 3.81338083287865 | erot = 3.91040514076924 | epot = -38.6119475932714 | etot = -30.8881616196235 -718000 ekin = 3.98031853847212 | erot = 3.63481705596705 | epot = -38.678649410417 | etot = -31.0635138159778 -719000 ekin = 3.8566755406953 | erot = 3.54568346865612 | epot = -38.7335222105701 | etot = -31.3311632012187 -720000 ekin = 3.82130999837905 | erot = 3.12899985812948 | epot = -38.8000481793519 | etot = -31.8497383228434 -721000 ekin = 3.84625676410587 | erot = 3.33090070721984 | epot = -38.8362758074818 | etot = -31.6591183361561 -722000 ekin = 3.79224716661399 | erot = 3.20659617994805 | epot = -38.8301147634646 | etot = -31.8312714169026 -723000 ekin = 3.89270036914645 | erot = 3.09341373486911 | epot = -38.7612142662691 | etot = -31.7751001622535 -724000 ekin = 3.88950015267432 | erot = 3.37593260372107 | epot = -38.6472208331853 | etot = -31.3817880767899 -725000 ekin = 3.89253643906726 | erot = 3.36325650610821 | epot = -38.527809683643 | etot = -31.2720167384676 -726000 ekin = 3.77207579735124 | erot = 2.95762270097696 | epot = -38.4162496849588 | etot = -31.6865511866306 -727000 ekin = 3.85895083084016 | erot = 2.69741467226748 | epot = -38.3204112624909 | etot = -31.7640457593832 -728000 ekin = 3.95735248448051 | erot = 2.9120886214562 | epot = -38.2269317498774 | etot = -31.3574906439407 -729000 ekin = 3.90116579496187 | erot = 2.68023881807523 | epot = -38.1837112825913 | etot = -31.6023066695542 -730000 ekin = 3.96318220229617 | erot = 2.52640600275291 | epot = -38.1795006550048 | etot = -31.6899124499557 -731000 ekin = 4.07163559325283 | erot = 2.47524828245717 | epot = -38.2208467965997 | etot = -31.6739629208897 -732000 ekin = 4.1233129439478 | erot = 2.59059397612226 | epot = -38.2785246774241 | etot = -31.5646177573541 -733000 ekin = 4.18393032106832 | erot = 2.72580269413636 | epot = -38.392037043721 | etot = -31.4823040285164 -734000 ekin = 4.22490204001114 | erot = 2.94025387724302 | epot = -38.5577268408556 | etot = -31.3925709236014 -735000 ekin = 4.4163790638128 | erot = 3.39000978300276 | epot = -38.7520895879279 | etot = -30.9457007411124 -736000 ekin = 4.52682105512921 | erot = 3.59384799521515 | epot = -39.0007836443239 | etot = -30.8801145939796 -737000 ekin = 4.54518518822971 | erot = 3.67606395235669 | epot = -39.2431861398733 | etot = -31.0219369992869 -738000 ekin = 4.5411183131362 | erot = 3.87514152367616 | epot = -39.4689573474102 | etot = -31.0526975105979 -739000 ekin = 4.64515651334117 | erot = 3.86830954896682 | epot = -39.6580785017876 | etot = -31.1446124394797 -740000 ekin = 4.59721923359587 | erot = 3.83234514918728 | epot = -39.7800787241316 | etot = -31.3505143413485 -741000 ekin = 4.54920694202201 | erot = 4.22873772666809 | epot = -39.8001498706487 | etot = -31.0222052019586 -742000 ekin = 4.37775553859947 | erot = 4.07719515191239 | epot = -39.77291919362 | etot = -31.3179685031081 -743000 ekin = 4.3556617165814 | erot = 4.19296317409631 | epot = -39.6826493457459 | etot = -31.1340244550682 -744000 ekin = 4.35520781857197 | erot = 4.03027041959899 | epot = -39.5404877687078 | etot = -31.1550095305368 -745000 ekin = 4.22626887984311 | erot = 3.36034348052822 | epot = -39.3612863690873 | etot = -31.774674008716 -746000 ekin = 4.11995949308898 | erot = 3.27667360498754 | epot = -39.1619120183871 | etot = -31.7652789203105 -747000 ekin = 4.14400839200212 | erot = 3.30199438470027 | epot = -38.9827326721257 | etot = -31.5367298954233 -748000 ekin = 4.00468940718665 | erot = 3.14625781984354 | epot = -38.8044398216776 | etot = -31.6534925946474 -749000 ekin = 3.84115389861437 | erot = 2.95470003366606 | epot = -38.6687005011651 | etot = -31.8728465688847 -750000 ekin = 3.65410258827795 | erot = 3.15459365563751 | epot = -38.5278602215806 | etot = -31.7191639776652 -751000 ekin = 3.60281847230518 | erot = 3.24631581000329 | epot = -38.4153933025752 | etot = -31.5662590202667 -752000 ekin = 3.67731217795101 | erot = 3.63832283099237 | epot = -38.3028409880035 | etot = -30.9872059790601 -753000 ekin = 3.57605485188786 | erot = 3.26752665173283 | epot = -38.216520404161 | etot = -31.3729389005403 -754000 ekin = 3.69078656100566 | erot = 3.07077330953207 | epot = -38.2008529421059 | etot = -31.4392930715682 -755000 ekin = 3.70168225637966 | erot = 2.97263399944781 | epot = -38.2287093031121 | etot = -31.5543930472847 -756000 ekin = 3.82302121275981 | erot = 3.17826892909081 | epot = -38.3101319992817 | etot = -31.3088418574311 -757000 ekin = 3.92969183976116 | erot = 3.24398381681727 | epot = -38.4229976799529 | etot = -31.2493220233745 -758000 ekin = 4.01825553851179 | erot = 2.96087889455689 | epot = -38.5603809302419 | etot = -31.5812464971732 -759000 ekin = 4.1594567829226 | erot = 3.31368855914157 | epot = -38.7240687265499 | etot = -31.2509233844857 -760000 ekin = 4.08337495041284 | erot = 3.28527114059582 | epot = -38.8845645171708 | etot = -31.5159184261621 -761000 ekin = 4.14862342701 | erot = 3.30586771709934 | epot = -38.9896780479041 | etot = -31.5351869037948 -762000 ekin = 4.15291891523588 | erot = 3.21578962032623 | epot = -39.035237071941 | etot = -31.6665285363789 -763000 ekin = 4.13154828483799 | erot = 3.3900507889809 | epot = -39.064056495297 | etot = -31.5424574214781 -764000 ekin = 4.11445022984107 | erot = 3.78778087021378 | epot = -39.0692483990251 | etot = -31.1670172989703 -765000 ekin = 3.94937442988368 | erot = 3.99811330721235 | epot = -39.0421921917086 | etot = -31.0947044546125 -766000 ekin = 3.90772961551848 | erot = 4.01819621928476 | epot = -38.9772379154489 | etot = -31.0513120806457 -767000 ekin = 3.91865092379335 | erot = 3.66675942927309 | epot = -38.8570109636997 | etot = -31.2716006106333 -768000 ekin = 3.90455829915367 | erot = 3.57997769181359 | epot = -38.7106990781798 | etot = -31.2261630872126 -769000 ekin = 3.79614462627832 | erot = 3.72589479531036 | epot = -38.5987325117514 | etot = -31.0766930901627 -770000 ekin = 3.84943042371494 | erot = 3.41445940258821 | epot = -38.5242031402412 | etot = -31.260313313938 -771000 ekin = 3.93726861106208 | erot = 3.22573743650862 | epot = -38.4470290210347 | etot = -31.284022973464 -772000 ekin = 3.96999789478603 | erot = 3.15006319998271 | epot = -38.4433830504299 | etot = -31.3233219556611 -773000 ekin = 3.90264203603896 | erot = 3.08286085672449 | epot = -38.4596433115511 | etot = -31.4741404187877 -774000 ekin = 4.05136357587228 | erot = 3.17001936426352 | epot = -38.5137422973686 | etot = -31.2923593572328 -775000 ekin = 4.11418642080986 | erot = 3.81754399179959 | epot = -38.5927804349064 | etot = -30.661050022297 -776000 ekin = 4.11481050991311 | erot = 3.55328099460662 | epot = -38.6754580889835 | etot = -31.0073665844638 -777000 ekin = 4.23423405077874 | erot = 3.581082705526 | epot = -38.7616944176802 | etot = -30.9463776613754 -778000 ekin = 4.22244262963935 | erot = 3.64411855451435 | epot = -38.8420321429421 | etot = -30.9754709587884 -779000 ekin = 4.20492205038599 | erot = 3.89270804286641 | epot = -38.9009656289589 | etot = -30.8033355357065 -780000 ekin = 4.19457435208215 | erot = 3.98994130977104 | epot = -38.9050369874365 | etot = -30.7205213255833 -781000 ekin = 4.33837315790481 | erot = 3.45852422770952 | epot = -38.858660577552 | etot = -31.0617631919377 -782000 ekin = 4.36357496915256 | erot = 3.10010011432264 | epot = -38.7868584055569 | etot = -31.3231833220817 -783000 ekin = 4.42162598039043 | erot = 3.42028138737015 | epot = -38.7233668668894 | etot = -30.8814594991289 -784000 ekin = 4.52915280589042 | erot = 3.46746509226011 | epot = -38.6388342149203 | etot = -30.6422163167698 -785000 ekin = 4.55159402138248 | erot = 3.36141401661284 | epot = -38.5160993571772 | etot = -30.6030913191819 -786000 ekin = 4.4107707826177 | erot = 3.55728141641266 | epot = -38.3921286555455 | etot = -30.4240764565152 -787000 ekin = 4.54739828665105 | erot = 3.81681111076945 | epot = -38.2843232861691 | etot = -29.9201138887486 -788000 ekin = 4.51350891647147 | erot = 3.90594890385671 | epot = -38.2029645190102 | etot = -29.783506698682 -789000 ekin = 4.41183434492797 | erot = 4.01545730842708 | epot = -38.1545360413067 | etot = -29.7272443879517 -790000 ekin = 4.3621929679848 | erot = 4.38022337925409 | epot = -38.1642768248249 | etot = -29.4218604775861 -791000 ekin = 4.36856935453188 | erot = 4.10044084346352 | epot = -38.22190556061 | etot = -29.7528953626146 -792000 ekin = 4.15750522427246 | erot = 4.31220830506834 | epot = -38.3006248567473 | etot = -29.8309113274065 -793000 ekin = 4.04895474142999 | erot = 4.47406069249712 | epot = -38.4166817679431 | etot = -29.893666334016 -794000 ekin = 4.06782077729039 | erot = 4.5423761591342 | epot = -38.549740398153 | etot = -29.9395434617284 -795000 ekin = 4.13325369560992 | erot = 4.67664308533435 | epot = -38.7140310649861 | etot = -29.9041342840418 -796000 ekin = 4.24810673699366 | erot = 4.55090018691374 | epot = -38.8628377912584 | etot = -30.0638308673509 -797000 ekin = 4.47820483480062 | erot = 4.3710582070195 | epot = -39.0073103741375 | etot = -30.1580473323174 -798000 ekin = 4.41687882033674 | erot = 4.03192844801015 | epot = -39.1717655165837 | etot = -30.7229582482368 -799000 ekin = 4.51272621151671 | erot = 3.80275615695399 | epot = -39.326421036722 | etot = -31.0109386682513 -800000 ekin = 4.55406747540001 | erot = 3.86603589563195 | epot = -39.4550921156883 | etot = -31.0349887446563 -801000 ekin = 4.71425753043944 | erot = 4.19401636489447 | epot = -39.54550685129 | etot = -30.6372329559561 -802000 ekin = 4.73096724901053 | erot = 4.66018334519234 | epot = -39.5972922700863 | etot = -30.2061416758834 -803000 ekin = 4.62379738113316 | erot = 4.84687313016553 | epot = -39.6033097238912 | etot = -30.1326392125925 -804000 ekin = 4.73211781117971 | erot = 4.65405100631757 | epot = -39.5980929919843 | etot = -30.2119241744871 -805000 ekin = 4.74990370273775 | erot = 5.03061291222782 | epot = -39.5694988655322 | etot = -29.7889822505666 -806000 ekin = 4.71376969100982 | erot = 4.52737209746849 | epot = -39.5309941756429 | etot = -30.2898523871646 -807000 ekin = 4.86079475139436 | erot = 4.60056901312775 | epot = -39.4997078348835 | etot = -30.0383440703614 -808000 ekin = 4.80209833525355 | erot = 4.45818548395654 | epot = -39.4704788837952 | etot = -30.2101950645852 -809000 ekin = 4.63770011287829 | erot = 4.50410245159981 | epot = -39.4133092695816 | etot = -30.2715067051035 -810000 ekin = 4.5884562354768 | erot = 4.59839740206875 | epot = -39.3630399165046 | etot = -30.1761862789591 -811000 ekin = 4.49885529137743 | erot = 3.9887801293149 | epot = -39.2630135095319 | etot = -30.7753780888396 -812000 ekin = 4.26896362698773 | erot = 3.78568800845431 | epot = -39.1138584925267 | etot = -31.0592068570847 -813000 ekin = 4.13473287838125 | erot = 3.67097615600868 | epot = -38.9684769118809 | etot = -31.1627678774909 -814000 ekin = 3.94776533151707 | erot = 3.94579982777182 | epot = -38.8393181931019 | etot = -30.945753033813 -815000 ekin = 3.90824876714858 | erot = 4.04132924638676 | epot = -38.7551601823022 | etot = -30.8055821687669 -816000 ekin = 3.78701127768462 | erot = 3.90301930977965 | epot = -38.6978803550943 | etot = -31.00784976763 -817000 ekin = 3.66292511898638 | erot = 3.94682412287947 | epot = -38.6270985077426 | etot = -31.0173492658768 -818000 ekin = 3.57247131276286 | erot = 4.1784329766224 | epot = -38.5581000447573 | etot = -30.807195755372 -819000 ekin = 3.53877880324505 | erot = 4.11647252852256 | epot = -38.470998731369 | etot = -30.8157473996014 -820000 ekin = 3.50671598439872 | erot = 4.2563179936087 | epot = -38.3521077332955 | etot = -30.5890737552881 -821000 ekin = 3.53103431342872 | erot = 3.63219688182932 | epot = -38.2011634572155 | etot = -31.0379322619575 -822000 ekin = 3.51951391759943 | erot = 3.61259288561799 | epot = -38.0560993175181 | etot = -30.9239925143007 -823000 ekin = 3.57671320020567 | erot = 3.17979253207746 | epot = -37.8872361758758 | etot = -31.1307304435927 -824000 ekin = 3.52000952110933 | erot = 3.12347116703119 | epot = -37.7532307820924 | etot = -31.1097500939519 -825000 ekin = 3.58955759313317 | erot = 3.15061432333255 | epot = -37.6359982536735 | etot = -30.8958263372078 -826000 ekin = 3.67361585241127 | erot = 3.02327306669 | epot = -37.5692124634558 | etot = -30.8723235443545 -827000 ekin = 3.81109350736614 | erot = 2.85212407416514 | epot = -37.5611625241688 | etot = -30.8979449426375 -828000 ekin = 3.90531542763314 | erot = 2.81227386436725 | epot = -37.5694328663447 | etot = -30.8518435743443 -829000 ekin = 3.84587100054134 | erot = 2.81493449341339 | epot = -37.6070676030483 | etot = -30.9462621090935 -830000 ekin = 3.92673136944215 | erot = 3.15236191191148 | epot = -37.6537469157601 | etot = -30.5746536344065 -831000 ekin = 3.93921284330496 | erot = 3.06450076609936 | epot = -37.7261731649981 | etot = -30.7224595555938 -832000 ekin = 3.97197612374622 | erot = 3.05649894744995 | epot = -37.8221989970108 | etot = -30.7937239258147 -833000 ekin = 3.93725030890251 | erot = 3.02665836452882 | epot = -37.937171835506 | etot = -30.9732631620747 -834000 ekin = 3.98146697711155 | erot = 3.02136079279364 | epot = -38.0629385880238 | etot = -31.0601108181186 -835000 ekin = 4.05052897985959 | erot = 3.17273406713199 | epot = -38.1835463837721 | etot = -30.9602833367805 -836000 ekin = 4.19040397553803 | erot = 3.26946027032966 | epot = -38.300933644763 | etot = -30.8410693988953 -837000 ekin = 4.23633886579814 | erot = 3.17722972050009 | epot = -38.3895940577245 | etot = -30.9760254714262 -838000 ekin = 4.2979004072249 | erot = 3.15450479842831 | epot = -38.4727069904852 | etot = -31.020301784832 -839000 ekin = 4.1827320503791 | erot = 3.33215565016996 | epot = -38.5543306618494 | etot = -31.0394429613003 -840000 ekin = 4.10684077367706 | erot = 3.38230089969601 | epot = -38.6241675017604 | etot = -31.1350258283873 -841000 ekin = 4.23749853699732 | erot = 4.07451157411686 | epot = -38.6954306161323 | etot = -30.3834205050181 -842000 ekin = 4.21536707994271 | erot = 4.23835126074064 | epot = -38.7619078222529 | etot = -30.3081894815695 -843000 ekin = 4.22215504966707 | erot = 4.35771502414032 | epot = -38.8129398935363 | etot = -30.2330698197289 -844000 ekin = 4.30121627933579 | erot = 4.37450016715715 | epot = -38.8385476120778 | etot = -30.1628311655849 -845000 ekin = 4.21550077214613 | erot = 4.14378307005664 | epot = -38.8237568245828 | etot = -30.4644729823801 -846000 ekin = 4.02238016824688 | erot = 4.51654867802969 | epot = -38.7905889780242 | etot = -30.2516601317477 -847000 ekin = 4.01810256512938 | erot = 4.26125017170757 | epot = -38.7339575587521 | etot = -30.4546048219152 -848000 ekin = 3.96232133970733 | erot = 4.11983424179415 | epot = -38.6313622633388 | etot = -30.5492066818373 -849000 ekin = 3.80836560854392 | erot = 4.28564223418282 | epot = -38.48959631527 | etot = -30.3955884725433 -850000 ekin = 3.69578896780274 | erot = 4.39587758868534 | epot = -38.3525607889923 | etot = -30.2608942325043 -851000 ekin = 3.41959969074419 | erot = 4.26064520104068 | epot = -38.1456854690895 | etot = -30.4654405773046 -852000 ekin = 3.30829887930773 | erot = 3.71835542085462 | epot = -37.9409715149429 | etot = -30.9143172147806 -853000 ekin = 3.35508979255709 | erot = 3.37030184945615 | epot = -37.7900455534541 | etot = -31.0646539114409 -854000 ekin = 3.27022944339444 | erot = 3.34212111159848 | epot = -37.7131840806896 | etot = -31.1008335256967 -855000 ekin = 3.1986122719394 | erot = 3.88856216577092 | epot = -37.6928018165187 | etot = -30.6056273788084 -856000 ekin = 3.06768638261931 | erot = 3.9829801102148 | epot = -37.727010473156 | etot = -30.6763439803219 -857000 ekin = 3.0284945827112 | erot = 3.90128373509548 | epot = -37.7894644617561 | etot = -30.8596861439494 -858000 ekin = 3.01766394874129 | erot = 3.81481515545785 | epot = -37.864155422239 | etot = -31.0316763180398 -859000 ekin = 3.04279727315571 | erot = 3.58850792531729 | epot = -37.9147104139937 | etot = -31.2834052155206 -860000 ekin = 3.12250083122178 | erot = 3.47152341944192 | epot = -37.9805991878281 | etot = -31.3865749371644 -861000 ekin = 3.08661234486258 | erot = 3.19104504877415 | epot = -38.0455048743499 | etot = -31.7678474807132 -862000 ekin = 3.21284829409282 | erot = 3.29871938445951 | epot = -38.0992348440439 | etot = -31.5876671654916 -863000 ekin = 3.30782920492319 | erot = 3.18791577959006 | epot = -38.1747149198293 | etot = -31.6789699353161 -864000 ekin = 3.42420257195633 | erot = 2.92388402618492 | epot = -38.2365375033582 | etot = -31.8884509052169 -865000 ekin = 3.34466551527703 | erot = 3.0972998859353 | epot = -38.301208351407 | etot = -31.8592429501947 -866000 ekin = 3.36174635490682 | erot = 3.3198551234471 | epot = -38.3565233653476 | etot = -31.6749218869937 -867000 ekin = 3.421839196855 | erot = 2.79592217571863 | epot = -38.3877893327294 | etot = -32.1700279601558 -868000 ekin = 3.36274087144654 | erot = 2.53957841641307 | epot = -38.4029375195829 | etot = -32.5006182317233 -869000 ekin = 3.40964507660633 | erot = 2.56691032353925 | epot = -38.36070725069 | etot = -32.3841518505444 -870000 ekin = 3.53716918539255 | erot = 2.78671187381857 | epot = -38.3296120297664 | etot = -32.0057309705553 -871000 ekin = 3.59594316640844 | erot = 2.64188707611858 | epot = -38.2798157408161 | etot = -32.0419854982891 -872000 ekin = 3.50734679867103 | erot = 2.53533702817681 | epot = -38.2086073023315 | etot = -32.1659234754836 -873000 ekin = 3.4916725837923 | erot = 2.78144827221659 | epot = -38.1271407877643 | etot = -31.8540199317554 -874000 ekin = 3.51303146719815 | erot = 2.71312702979827 | epot = -38.0371921369836 | etot = -31.8110336399872 -875000 ekin = 3.48945347772522 | erot = 2.94850163157192 | epot = -37.9788388329101 | etot = -31.540883723613 -876000 ekin = 3.56075870692742 | erot = 3.00511197452216 | epot = -37.9138095080296 | etot = -31.34793882658 -877000 ekin = 3.47758786865161 | erot = 3.1639084633419 | epot = -37.8677942057125 | etot = -31.226297873719 -878000 ekin = 3.30311825505464 | erot = 3.03452838302456 | epot = -37.8643582436494 | etot = -31.5267116055702 -879000 ekin = 3.24374156245722 | erot = 3.40785973601244 | epot = -37.8934655456587 | etot = -31.241864247189 -880000 ekin = 3.37573093292728 | erot = 3.29280897525387 | epot = -37.94427513544 | etot = -31.2757352272588 -881000 ekin = 3.39840544569008 | erot = 3.5585281271734 | epot = -38.000888118187 | etot = -31.0439545453235 -882000 ekin = 3.58967670735277 | erot = 3.3599507497553 | epot = -38.026551897189 | etot = -31.0769244400809 -883000 ekin = 3.50982611331089 | erot = 2.96694324238043 | epot = -38.0094926569536 | etot = -31.5327233012623 -884000 ekin = 3.40446481075003 | erot = 3.29501620823909 | epot = -37.9974315131722 | etot = -31.2979504941831 -885000 ekin = 3.35965929451984 | erot = 3.11716654513079 | epot = -38.0104898466533 | etot = -31.5336640070026 -886000 ekin = 3.4398820879568 | erot = 3.03035945423277 | epot = -38.0693633346149 | etot = -31.5991217924253 -887000 ekin = 3.45628684947257 | erot = 3.13318789403751 | epot = -38.1677034351609 | etot = -31.5782286916509 -888000 ekin = 3.56219309594464 | erot = 3.51843891461384 | epot = -38.2809194479114 | etot = -31.2002874373529 -889000 ekin = 3.66415644518222 | erot = 4.27546474777851 | epot = -38.4171028829354 | etot = -30.4774816899746 -890000 ekin = 3.59199164776021 | erot = 4.54716655442229 | epot = -38.5531146541751 | etot = -30.4139564519926 -891000 ekin = 3.48698350789935 | erot = 4.75701182525661 | epot = -38.6580895919219 | etot = -30.414094258766 -892000 ekin = 3.5156285575795 | erot = 4.92508483334396 | epot = -38.7362622656564 | etot = -30.295548874733 -893000 ekin = 3.47661113338826 | erot = 5.21569244219348 | epot = -38.7939526432619 | etot = -30.1016490676802 -894000 ekin = 3.33377890272878 | erot = 5.32415823975917 | epot = -38.7809839614902 | etot = -30.1230468190022 -895000 ekin = 3.43478318369595 | erot = 5.41005154361594 | epot = -38.7354883491901 | etot = -29.8906536218782 -896000 ekin = 3.35681124753247 | erot = 5.27612600451783 | epot = -38.6441447733837 | etot = -30.0112075213334 -897000 ekin = 3.28668538949691 | erot = 5.17803324766006 | epot = -38.5248966927269 | etot = -30.0601780555699 -898000 ekin = 3.28286469703046 | erot = 5.1387437476849 | epot = -38.3749221439183 | etot = -29.9533136992029 -899000 ekin = 3.28106900834727 | erot = 5.02377463132161 | epot = -38.2159550339516 | etot = -29.9111113942827 -900000 ekin = 3.2375487758962 | erot = 4.74128859066627 | epot = -38.0678968923378 | etot = -30.0890595257754 -901000 ekin = 3.13978298302567 | erot = 4.32431292426646 | epot = -37.9137652588161 | etot = -30.449669351524 -902000 ekin = 3.14110495369396 | erot = 3.63711917032585 | epot = -37.7967183247471 | etot = -31.0184942007273 -903000 ekin = 3.11835106948985 | erot = 3.58358384011855 | epot = -37.7069569192994 | etot = -31.005022009691 -904000 ekin = 3.07376219479306 | erot = 3.52931006844845 | epot = -37.659746760624 | etot = -31.0566744973825 -905000 ekin = 3.06812362454382 | erot = 3.78913234205786 | epot = -37.6633180135035 | etot = -30.8060620469019 -906000 ekin = 3.16118254583051 | erot = 3.68210315785587 | epot = -37.7114125889236 | etot = -30.8681268852372 -907000 ekin = 3.05937736690029 | erot = 3.63166351278053 | epot = -37.8094278488434 | etot = -31.1183869691625 -908000 ekin = 3.20197665753497 | erot = 3.64411333350696 | epot = -37.8953945586469 | etot = -31.049304567605 -909000 ekin = 3.13419888287821 | erot = 3.44894287146556 | epot = -37.9553359165691 | etot = -31.3721941622254 -910000 ekin = 3.20114546563037 | erot = 3.42446813676887 | epot = -38.0249179476088 | etot = -31.3993043452096 -911000 ekin = 3.18332024249094 | erot = 3.30496399638702 | epot = -38.1090485606 | etot = -31.620764321722 -912000 ekin = 3.26276595850353 | erot = 3.24471741353574 | epot = -38.2096715613879 | etot = -31.7021881893487 -913000 ekin = 3.26815619138256 | erot = 3.26266624315757 | epot = -38.3821519588595 | etot = -31.8513295243194 -914000 ekin = 3.35412635067739 | erot = 3.33562334375849 | epot = -38.6092123987843 | etot = -31.9194627043485 -915000 ekin = 3.50776663391044 | erot = 3.60910336634357 | epot = -38.8009254120373 | etot = -31.6840554117832 -916000 ekin = 3.52773139010892 | erot = 3.4674530941274 | epot = -38.9707688836107 | etot = -31.9755843993744 -917000 ekin = 3.59076210165245 | erot = 3.4117857351299 | epot = -39.0925719913729 | etot = -32.0900241545906 -918000 ekin = 3.7045685353762 | erot = 3.18226166796498 | epot = -39.1781408185662 | etot = -32.291310615225 -919000 ekin = 3.7803778042616 | erot = 3.08638967761954 | epot = -39.2569196438482 | etot = -32.3901521619671 -920000 ekin = 3.91060781137672 | erot = 3.28711158692169 | epot = -39.3298863351684 | etot = -32.13216693687 -921000 ekin = 3.94747979949415 | erot = 3.453377720589 | epot = -39.3932618134519 | etot = -31.9924042933687 -922000 ekin = 3.94814734356937 | erot = 3.67117615571543 | epot = -39.442934644951 | etot = -31.8236111456662 -923000 ekin = 3.96148195878582 | erot = 4.16418425189008 | epot = -39.4697891977422 | etot = -31.3441229870663 -924000 ekin = 3.93156231463918 | erot = 4.23364521862781 | epot = -39.4747062603531 | etot = -31.3094987270862 -925000 ekin = 3.98364691406514 | erot = 4.37102519058194 | epot = -39.455954311955 | etot = -31.1012822073079 -926000 ekin = 3.9016583484788 | erot = 4.53983917650241 | epot = -39.3838686479858 | etot = -30.9423711230046 -927000 ekin = 3.86159556963871 | erot = 4.93409467569021 | epot = -39.300982283531 | etot = -30.505292038202 -928000 ekin = 3.88113409255633 | erot = 4.54344659797527 | epot = -39.2237313850885 | etot = -30.7991506945569 -929000 ekin = 3.73601262143401 | erot = 4.54159517313976 | epot = -39.0907845737874 | etot = -30.8131767792137 -930000 ekin = 3.62890283946134 | erot = 4.23223960576951 | epot = -38.9310668930158 | etot = -31.0699244477849 -931000 ekin = 3.51130978751943 | erot = 3.75580234575066 | epot = -38.7496742883208 | etot = -31.4825621550507 -932000 ekin = 3.4360478582471 | erot = 3.85916877458121 | epot = -38.6047820584061 | etot = -31.3095654255778 -933000 ekin = 3.34945134482961 | erot = 4.10711762351075 | epot = -38.510851150919 | etot = -31.0542821825786 -934000 ekin = 3.25407370525944 | erot = 4.02198516513935 | epot = -38.4343657155247 | etot = -31.1583068451259 -935000 ekin = 3.15706754617314 | erot = 3.94213624960975 | epot = -38.3842418910869 | etot = -31.285038095304 -936000 ekin = 3.00555649828169 | erot = 4.41385590541793 | epot = -38.3669049397814 | etot = -30.9474925360818 -937000 ekin = 2.92065396617303 | erot = 4.74523400801327 | epot = -38.3453538388337 | etot = -30.6794658646474 -938000 ekin = 2.97141948473083 | erot = 4.76974809222715 | epot = -38.3344331957964 | etot = -30.5932656188384 -939000 ekin = 2.94512706992735 | erot = 4.54496818954263 | epot = -38.3244620131105 | etot = -30.8343667536406 -940000 ekin = 2.88288211336416 | erot = 4.33037795313973 | epot = -38.3226244406597 | etot = -31.1093643741558 -941000 ekin = 3.07298949733874 | erot = 4.38312166999019 | epot = -38.3472582821343 | etot = -30.8911471148054 -942000 ekin = 3.09399973822823 | erot = 4.23262521183808 | epot = -38.3627707290365 | etot = -31.0361457789702 -943000 ekin = 3.06928348074207 | erot = 4.29810120769338 | epot = -38.3654861580835 | etot = -30.998101469648 -944000 ekin = 3.05361136554805 | erot = 4.57752136432057 | epot = -38.3891229370224 | etot = -30.7579902071538 -945000 ekin = 3.10532952733951 | erot = 4.63116672909514 | epot = -38.4481824906829 | etot = -30.7116862342482 -946000 ekin = 3.22536073155712 | erot = 4.97756078019748 | epot = -38.5304457687249 | etot = -30.3275242569703 -947000 ekin = 3.22481791886517 | erot = 4.85505897631128 | epot = -38.6306947506546 | etot = -30.5508178554781 -948000 ekin = 3.31258286730503 | erot = 4.40885070504342 | epot = -38.7111926164559 | etot = -30.9897590441074 -949000 ekin = 3.26341750645552 | erot = 4.50805562556237 | epot = -38.7582101439125 | etot = -30.9867370118946 -950000 ekin = 3.38312193033102 | erot = 4.30600402576272 | epot = -38.7909813747401 | etot = -31.1018554186463 -951000 ekin = 3.45878288324884 | erot = 3.92069079490449 | epot = -38.8089483233273 | etot = -31.429474645174 -952000 ekin = 3.42224118561199 | erot = 3.67807790241712 | epot = -38.8172186174577 | etot = -31.7168995294286 -953000 ekin = 3.53558981303889 | erot = 3.54582501818219 | epot = -38.8376037887753 | etot = -31.7561889575542 -954000 ekin = 3.74081536790968 | erot = 3.65672942044178 | epot = -38.8501623721149 | etot = -31.4526175837635 -955000 ekin = 3.7110092436565 | erot = 3.89616377536048 | epot = -38.8864415175109 | etot = -31.279268498494 -956000 ekin = 3.60593207480456 | erot = 3.60411690044688 | epot = -38.9258365620746 | etot = -31.7157875868231 -957000 ekin = 3.49530434439501 | erot = 3.8241034771156 | epot = -38.9468561104726 | etot = -31.627448288962 -958000 ekin = 3.33025913134867 | erot = 4.09361696296971 | epot = -38.956606995368 | etot = -31.5327309010496 -959000 ekin = 3.2325863398297 | erot = 4.27749630513801 | epot = -38.9400855462526 | etot = -31.4300029012849 -960000 ekin = 3.31834124707632 | erot = 4.19167538415384 | epot = -38.9006120641382 | etot = -31.3905954329081 -961000 ekin = 3.23354004257456 | erot = 4.33974592386025 | epot = -38.8709462828606 | etot = -31.2976603164258 -962000 ekin = 3.27687420354399 | erot = 4.18251799625541 | epot = -38.8399997192037 | etot = -31.3806075194043 -963000 ekin = 3.18724078299274 | erot = 4.29559449615356 | epot = -38.8215635568142 | etot = -31.3387282776679 -964000 ekin = 3.16628639784324 | erot = 4.17929146419551 | epot = -38.8033314242486 | etot = -31.4577535622098 -965000 ekin = 3.23601563824504 | erot = 4.51599223822389 | epot = -38.7801591620084 | etot = -31.0281512855395 -966000 ekin = 3.35348380272829 | erot = 3.96490873951942 | epot = -38.7593006562386 | etot = -31.4409081139909 -967000 ekin = 3.47301428118912 | erot = 3.78771221675284 | epot = -38.7263415939782 | etot = -31.4656150960363 -968000 ekin = 3.51493406845154 | erot = 3.36657292776078 | epot = -38.7364041234232 | etot = -31.8548971272109 -969000 ekin = 3.55243037222546 | erot = 3.66068265314136 | epot = -38.7529284526025 | etot = -31.5398154272357 -970000 ekin = 3.63553363347268 | erot = 3.13050605621035 | epot = -38.8016144947089 | etot = -32.0355748050258 -971000 ekin = 3.62760421034414 | erot = 3.43775684259619 | epot = -38.870763787289 | etot = -31.8054027343487 -972000 ekin = 3.66143241862989 | erot = 4.04556663388647 | epot = -38.9794799026743 | etot = -31.2724808501579 -973000 ekin = 3.7246589822928 | erot = 3.97416581320673 | epot = -39.0667487302084 | etot = -31.3679239347088 -974000 ekin = 3.99953950913791 | erot = 4.13912764019193 | epot = -39.1431741069697 | etot = -31.0045069576398 -975000 ekin = 4.00465817345131 | erot = 3.99525896460893 | epot = -39.1948973492942 | etot = -31.194980211234 -976000 ekin = 4.16803719317624 | erot = 4.27607609453618 | epot = -39.2042146461381 | etot = -30.7601013584257 -977000 ekin = 4.27763535208348 | erot = 4.3578537464676 | epot = -39.1647674598218 | etot = -30.5292783612708 -978000 ekin = 4.21509832146809 | erot = 3.96978575035229 | epot = -39.0661575270878 | etot = -30.8812734552674 -979000 ekin = 4.1121993977163 | erot = 3.86340161937279 | epot = -38.9126163242263 | etot = -30.9370153071372 -980000 ekin = 4.08548639230676 | erot = 3.71918260809163 | epot = -38.7460650378699 | etot = -30.9413960374715 -981000 ekin = 4.02033461236246 | erot = 3.54042819636898 | epot = -38.597187758635 | etot = -31.0364249499036 -982000 ekin = 4.05981657544079 | erot = 3.65178477672055 | epot = -38.4729888125583 | etot = -30.761387460397 -983000 ekin = 4.15649242216497 | erot = 3.62195027480226 | epot = -38.3342599610661 | etot = -30.5558172640988 -984000 ekin = 4.15445943144041 | erot = 3.41256983843898 | epot = -38.1946691276127 | etot = -30.6276398577333 -985000 ekin = 3.8765990108719 | erot = 3.43767805044635 | epot = -38.0505436384558 | etot = -30.7362665771376 -986000 ekin = 3.85786856381243 | erot = 3.30334700587336 | epot = -37.8996934133204 | etot = -30.7384778436346 -987000 ekin = 3.87294863787324 | erot = 3.15398232754985 | epot = -37.7929706719646 | etot = -30.7660397065415 -988000 ekin = 3.93790531951922 | erot = 3.08701498108577 | epot = -37.6532967522442 | etot = -30.6283764516392 -989000 ekin = 3.83115351568816 | erot = 3.07802242316593 | epot = -37.5101193189106 | etot = -30.6009433800565 -990000 ekin = 3.81048959043177 | erot = 3.11196082795564 | epot = -37.3832609771668 | etot = -30.4608105587794 -991000 ekin = 3.71517412131507 | erot = 3.09240412040415 | epot = -37.2833659467137 | etot = -30.4757877049945 -992000 ekin = 3.63849701384077 | erot = 2.99887074192575 | epot = -37.1786754428024 | etot = -30.5413076870359 -993000 ekin = 3.63209056043319 | erot = 3.27649085900159 | epot = -37.0906927302528 | etot = -30.182111310818 -994000 ekin = 3.59828390693157 | erot = 3.83169777268287 | epot = -37.0255816353103 | etot = -29.5955999556959 -995000 ekin = 3.75927077522085 | erot = 3.45385861701398 | epot = -36.9690811728773 | etot = -29.7559517806424 -996000 ekin = 3.7162823443018 | erot = 3.37243499359149 | epot = -36.9421300931431 | etot = -29.8534127552498 -997000 ekin = 3.60416089411945 | erot = 3.31461433836006 | epot = -36.952810875641 | etot = -30.0340356431615 -998000 ekin = 3.71457183702559 | erot = 3.42780251384754 | epot = -37.0325234658195 | etot = -29.8901491149464 -999000 ekin = 3.78703773886275 | erot = 3.63993408891199 | epot = -37.154809159371 | etot = -29.7278373315963 -1000000 ekin = 3.83883486112593 | erot = 3.47192929391939 | epot = -37.2430911050886 | etot = -29.9323269500432 - 1000000 0.10236893 -1.4701186 0.037692055 -1.2847791 5.0290761e-05 64000 -Loop time of 83.1091 on 1 procs for 1000000 steps with 26 atoms - -Performance: 10395.973 tau/day, 12032.377 timesteps/s -99.8% CPU use with 1 MPI tasks x no OpenMP threads - -MPI task timing breakdown: -Section | min time | avg time | max time |%varavg| %total ---------------------------------------------------------------- -Pair | 74.406 | 74.406 | 74.406 | 0.0 | 89.53 -Bond | 1.6522 | 1.6522 | 1.6522 | 0.0 | 1.99 -Neigh | 0.020569 | 0.020569 | 0.020569 | 0.0 | 0.02 -Comm | 0.20204 | 0.20204 | 0.20204 | 0.0 | 0.24 -Output | 0.23125 | 0.23125 | 0.23125 | 0.0 | 0.28 -Modify | 6.3912 | 6.3912 | 6.3912 | 0.0 | 7.69 -Other | | 0.2061 | | | 0.25 - -Nlocal: 26.0000 ave 26 max 26 min -Histogram: 1 0 0 0 0 0 0 0 0 0 -Nghost: 0.00000 ave 0 max 0 min -Histogram: 1 0 0 0 0 0 0 0 0 0 -Neighs: 301.000 ave 301 max 301 min -Histogram: 1 0 0 0 0 0 0 0 0 0 - -Total # of neighbors = 301 -Ave neighs/atom = 11.576923 -Ave special neighs/atom = 5.0769231 -Neighbor list builds = 1000 -Dangerous builds = 0 - -write_data last_config.${number}.* nocoeff -write_data last_config.8.* nocoeff -System init for write_data ... -Total wall time: 0:01:23 diff --git a/examples/PACKAGES/cgdna/examples/oxDNA2/unique_bp/log.27May21.duplex4.8type.g++4 b/examples/PACKAGES/cgdna/examples/oxDNA2/unique_bp/log.27May21.duplex4.8type.g++4 deleted file mode 100644 index 2a7b689c6c..0000000000 --- a/examples/PACKAGES/cgdna/examples/oxDNA2/unique_bp/log.27May21.duplex4.8type.g++4 +++ /dev/null @@ -1,1271 +0,0 @@ -LAMMPS (27 May 2021) -variable number equal 8 -variable ofreq equal 1000 -variable efreq equal 1000 - -variable ntype equal 8 - -variable T equal 0.1 -variable rhos equal 0.2 - -units lj - -dimension 3 - -newton off - -boundary p p p - -atom_style hybrid bond ellipsoid oxdna -WARNING: Atom style hybrid defines both, per-type and per-atom masses; both must be set, but only per-atom masses will be used (../atom_vec_hybrid.cpp:157) -atom_modify sort 0 1.0 - -# Pair interactions require lists of neighbours to be calculated -neighbor 2.0 bin -neigh_modify every 10 delay 0 check yes - -read_data data.duplex4.8type -Reading data file ... - orthogonal box = (-20.000000 -20.000000 -20.000000) to (20.000000 20.000000 20.000000) - 1 by 2 by 2 MPI processor grid - reading atoms ... - 26 atoms - reading velocities ... - 26 velocities - scanning bonds ... - 2 = max bonds/atom - 26 ellipsoids - reading bonds ... - 24 bonds -Finding 1-2 1-3 1-4 neighbors ... - special bond factors lj: 0 0 0 - special bond factors coul: 0 0 0 - 2 = max # of 1-2 neighbors - 2 = max # of 1-3 neighbors - 4 = max # of 1-4 neighbors - 6 = max # of special neighbors - special bonds CPU = 0.001 seconds - read_data CPU = 0.005 seconds - -mass * 3.1575 # sets per-type mass if not in data file -set atom * mass 3.1575 # sets per-atom mass -Setting atom values ... - 26 settings made for mass - -group all type 1 8 -26 atoms in group all - -# oxDNA2 bond interactions - FENE backbone -bond_style oxdna2/fene -bond_coeff * 2.0 0.25 0.7564 -special_bonds lj 0 1 1 -Finding 1-2 1-3 1-4 neighbors ... - special bond factors lj: 0 1 1 - special bond factors coul: 0 0 0 - 2 = max # of 1-2 neighbors - 2 = max # of 1-3 neighbors - 4 = max # of 1-4 neighbors - 6 = max # of special neighbors - special bonds CPU = 0.000 seconds - -# oxDNA pair interactions -pair_style hybrid/overlay oxdna2/excv oxdna2/stk oxdna2/hbond oxdna2/xstk oxdna2/coaxstk oxdna2/dh -pair_coeff * * oxdna2/excv 2.0 0.7 0.675 2.0 0.515 0.5 2.0 0.33 0.32 -pair_coeff * * oxdna2/stk seqdep ${T} 1.3523 2.6717 6.0 0.4 0.9 0.32 0.75 1.3 0 0.8 0.9 0 0.95 0.9 0 0.95 2.0 0.65 2.0 0.65 -pair_coeff * * oxdna2/stk seqdep 0.1 1.3523 2.6717 6.0 0.4 0.9 0.32 0.75 1.3 0 0.8 0.9 0 0.95 0.9 0 0.95 2.0 0.65 2.0 0.65 -pair_coeff * * oxdna2/hbond seqdep 0.0 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 - -label loop -variable base loop ${ntype} -variable base loop 8 - variable basemod equal ${base}%4 - variable basemod equal 1%4 - if "${basemod} == 1" then "variable comp equal ${base}+3" "pair_coeff ${base} ${comp} oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45" -variable comp equal ${base}+3 -variable comp equal 1+3 -pair_coeff ${base} ${comp} oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 -pair_coeff 1 ${comp} oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 -pair_coeff 1 4 oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 - if "${basemod} == 2" then "variable comp equal ${base}+1" "pair_coeff ${base} ${comp} oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45" -next base -jump in.duplex4.8type loop -variable base loop ${ntype} -variable base loop 8 - variable basemod equal ${base}%4 - variable basemod equal 2%4 - if "${basemod} == 1" then "variable comp equal ${base}+3" "pair_coeff ${base} ${comp} oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45" - if "${basemod} == 2" then "variable comp equal ${base}+1" "pair_coeff ${base} ${comp} oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45" -variable comp equal ${base}+1 -variable comp equal 2+1 -pair_coeff ${base} ${comp} oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 -pair_coeff 2 ${comp} oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 -pair_coeff 2 3 oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 -next base -jump in.duplex4.8type loop -variable base loop ${ntype} -variable base loop 8 - variable basemod equal ${base}%4 - variable basemod equal 3%4 - if "${basemod} == 1" then "variable comp equal ${base}+3" "pair_coeff ${base} ${comp} oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45" - if "${basemod} == 2" then "variable comp equal ${base}+1" "pair_coeff ${base} ${comp} oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45" -next base -jump in.duplex4.8type loop -variable base loop ${ntype} -variable base loop 8 - variable basemod equal ${base}%4 - variable basemod equal 4%4 - if "${basemod} == 1" then "variable comp equal ${base}+3" "pair_coeff ${base} ${comp} oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45" - if "${basemod} == 2" then "variable comp equal ${base}+1" "pair_coeff ${base} ${comp} oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45" -next base -jump in.duplex4.8type loop -variable base loop ${ntype} -variable base loop 8 - variable basemod equal ${base}%4 - variable basemod equal 5%4 - if "${basemod} == 1" then "variable comp equal ${base}+3" "pair_coeff ${base} ${comp} oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45" -variable comp equal ${base}+3 -variable comp equal 5+3 -pair_coeff ${base} ${comp} oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 -pair_coeff 5 ${comp} oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 -pair_coeff 5 8 oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 - if "${basemod} == 2" then "variable comp equal ${base}+1" "pair_coeff ${base} ${comp} oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45" -next base -jump in.duplex4.8type loop -variable base loop ${ntype} -variable base loop 8 - variable basemod equal ${base}%4 - variable basemod equal 6%4 - if "${basemod} == 1" then "variable comp equal ${base}+3" "pair_coeff ${base} ${comp} oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45" - if "${basemod} == 2" then "variable comp equal ${base}+1" "pair_coeff ${base} ${comp} oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45" -variable comp equal ${base}+1 -variable comp equal 6+1 -pair_coeff ${base} ${comp} oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 -pair_coeff 6 ${comp} oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 -pair_coeff 6 7 oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 -next base -jump in.duplex4.8type loop -variable base loop ${ntype} -variable base loop 8 - variable basemod equal ${base}%4 - variable basemod equal 7%4 - if "${basemod} == 1" then "variable comp equal ${base}+3" "pair_coeff ${base} ${comp} oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45" - if "${basemod} == 2" then "variable comp equal ${base}+1" "pair_coeff ${base} ${comp} oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45" -next base -jump in.duplex4.8type loop -variable base loop ${ntype} -variable base loop 8 - variable basemod equal ${base}%4 - variable basemod equal 8%4 - if "${basemod} == 1" then "variable comp equal ${base}+3" "pair_coeff ${base} ${comp} oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45" - if "${basemod} == 2" then "variable comp equal ${base}+1" "pair_coeff ${base} ${comp} oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45" -next base -jump in.duplex4.8type loop - -pair_coeff * * oxdna2/xstk 47.5 0.575 0.675 0.495 0.655 2.25 0.791592653589793 0.58 1.7 1.0 0.68 1.7 1.0 0.68 1.5 0 0.65 1.7 0.875 0.68 1.7 0.875 0.68 -pair_coeff * * oxdna2/coaxstk 58.5 0.4 0.6 0.22 0.58 2.0 2.891592653589793 0.65 1.3 0 0.8 0.9 0 0.95 0.9 0 0.95 40.0 3.116592653589793 -pair_coeff * * oxdna2/dh ${T} ${rhos} 0.815 -pair_coeff * * oxdna2/dh 0.1 ${rhos} 0.815 -pair_coeff * * oxdna2/dh 0.1 0.2 0.815 - -# Langevin dynamics -fix 1 all nve/asphere -fix 2 all langevin ${T} ${T} 2.5 457145 angmom 10 -fix 2 all langevin 0.1 ${T} 2.5 457145 angmom 10 -fix 2 all langevin 0.1 0.1 2.5 457145 angmom 10 - -timestep 1e-5 - -#comm_style tiled -fix 3 all balance 1000 1.03 shift xyz 10 1.03 -comm_modify cutoff 3.8 - -compute quat all property/atom quatw quati quatj quatk - -compute erot all erotate/asphere -compute ekin all ke -compute epot all pe -variable erot equal c_erot -variable ekin equal c_ekin -variable epot equal c_epot -variable etot equal c_erot+c_ekin+c_epot -fix 5 all print ${efreq} "$(step) ekin = ${ekin} | erot = ${erot} | epot = ${epot} | etot = ${etot}" screen yes -fix 5 all print 1000 "$(step) ekin = ${ekin} | erot = ${erot} | epot = ${epot} | etot = ${etot}" screen yes - -dump out all custom ${ofreq} out.${number}.lammpstrj id mol type x y z ix iy iz vx vy vz c_quat[1] c_quat[2] c_quat[3] c_quat[4] angmomx angmomy angmomz -dump out all custom 1000 out.${number}.lammpstrj id mol type x y z ix iy iz vx vy vz c_quat[1] c_quat[2] c_quat[3] c_quat[4] angmomx angmomy angmomz -dump out all custom 1000 out.8.lammpstrj id mol type x y z ix iy iz vx vy vz c_quat[1] c_quat[2] c_quat[3] c_quat[4] angmomx angmomy angmomz -dump_modify out sort id -dump_modify out format line "%d %d %d %22.15le %22.15le %22.15le %d %d %d %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le" - -run 1000000 -Neighbor list info ... - update every 10 steps, delay 0 steps, check yes - max neighbors/atom: 2000, page size: 100000 - master list distance cutoff = 5.6389877 - ghost atom cutoff = 5.6389877 - binsize = 2.8194939, bins = 15 15 15 - 5 neighbor lists, perpetual/occasional/extra = 5 0 0 - (1) pair oxdna2/excv, perpetual - attributes: half, newton off - pair build: half/bin/newtoff - stencil: full/bin/3d - bin: standard - (2) pair oxdna2/hbond, perpetual, copy from (1) - attributes: half, newton off - pair build: copy - stencil: none - bin: none - (3) pair oxdna2/xstk, perpetual, copy from (1) - attributes: half, newton off - pair build: copy - stencil: none - bin: none - (4) pair oxdna2/coaxstk, perpetual, copy from (1) - attributes: half, newton off - pair build: copy - stencil: none - bin: none - (5) pair oxdna2/dh, perpetual, copy from (1) - attributes: half, newton off - pair build: copy - stencil: none - bin: none -WARNING: Communication cutoff adjusted to 5.638987723814632 (../comm.cpp:739) -0 ekin = 3.74991604702378 | erot = 3.45272678980464 | epot = -37.3742009011421 | etot = -30.1715580643137 -Per MPI rank memory allocation (min/avg/max) = 9.571 | 9.572 | 9.573 Mbytes -Step Temp E_pair E_mol TotEng Press Volume - 0 0.099997761 -1.4717559 0.03428661 -1.2932417 5.6146609e-05 64000 -1000 ekin = 3.92430268570824 | erot = 3.29540971313705 | epot = -37.4816670091169 | etot = -30.2619546102716 -2000 ekin = 3.88644825046428 | erot = 3.58410925014822 | epot = -37.5871874286304 | etot = -30.1166299280179 -3000 ekin = 3.90603224055461 | erot = 3.78206057452861 | epot = -37.7021302921285 | etot = -30.0140374770453 -4000 ekin = 4.02636555552402 | erot = 3.91677901140303 | epot = -37.8027608694504 | etot = -29.8596163025233 -5000 ekin = 4.05442725401043 | erot = 4.07817807460239 | epot = -37.8494362833427 | etot = -29.7168309547299 -6000 ekin = 4.13499768127483 | erot = 4.03873475277247 | epot = -37.8257365098367 | etot = -29.6520040757894 -7000 ekin = 4.08584129662811 | erot = 3.98502892930338 | epot = -37.744776171106 | etot = -29.6739059451746 -8000 ekin = 4.04473728341539 | erot = 3.70461133282256 | epot = -37.6185211079512 | etot = -29.8691724917132 -9000 ekin = 3.97040375513034 | erot = 3.89171847539017 | epot = -37.4779912856655 | etot = -29.615869055145 -10000 ekin = 4.08064552796877 | erot = 4.10399273710613 | epot = -37.3378150214196 | etot = -29.1531767563447 -11000 ekin = 3.94505548567029 | erot = 4.14758664614567 | epot = -37.2085796341436 | etot = -29.1159375023277 -12000 ekin = 3.88687763742867 | erot = 4.11256727293728 | epot = -37.1168918341093 | etot = -29.1174469237433 -13000 ekin = 3.78376547312035 | erot = 3.94997258779545 | epot = -37.0636475805867 | etot = -29.3299095196709 -14000 ekin = 3.72114827358809 | erot = 3.83862755313067 | epot = -37.0539326083543 | etot = -29.4941567816355 -15000 ekin = 3.63885725366144 | erot = 3.37568559083325 | epot = -37.0775134892158 | etot = -30.0629706447211 -16000 ekin = 3.75926862366823 | erot = 3.47832285528771 | epot = -37.1763229835919 | etot = -29.938731504636 -17000 ekin = 3.80458992549718 | erot = 3.37818714949378 | epot = -37.3270848276044 | etot = -30.1443077526134 -18000 ekin = 3.81685915102048 | erot = 3.82235577807969 | epot = -37.4876996492705 | etot = -29.8484847201703 -19000 ekin = 3.80633274630077 | erot = 3.8039328333736 | epot = -37.6386270441084 | etot = -30.028361464434 -20000 ekin = 3.77027693322165 | erot = 3.97848447130841 | epot = -37.7861726918926 | etot = -30.0374112873625 -21000 ekin = 3.75594248876352 | erot = 3.90400523936658 | epot = -37.9165000666024 | etot = -30.2565523384723 -22000 ekin = 3.81729390633802 | erot = 3.70298358069274 | epot = -38.0211478246462 | etot = -30.5008703376154 -23000 ekin = 3.86462773298721 | erot = 3.52903064555341 | epot = -38.0539868057477 | etot = -30.6603284272071 -24000 ekin = 3.84611190496181 | erot = 3.47876891204866 | epot = -38.0524942369904 | etot = -30.7276134199799 -25000 ekin = 3.88431543220182 | erot = 3.80956733596667 | epot = -38.0090041212112 | etot = -30.3151213530427 -26000 ekin = 3.88520717073552 | erot = 4.04667753560866 | epot = -37.9336134642013 | etot = -30.0017287578571 -27000 ekin = 3.83553778749005 | erot = 4.18222306888362 | epot = -37.8633670830474 | etot = -29.8456062266737 -28000 ekin = 3.83638307293673 | erot = 4.13838046178307 | epot = -37.8079901228044 | etot = -29.8332265880846 -29000 ekin = 3.81360349447094 | erot = 4.16358811310864 | epot = -37.7885827024555 | etot = -29.8113910948759 -30000 ekin = 3.89572360919441 | erot = 4.04566996469674 | epot = -37.7874054211311 | etot = -29.84601184724 -31000 ekin = 3.89393888302718 | erot = 3.55790326104627 | epot = -37.8038131932178 | etot = -30.3519710491444 -32000 ekin = 3.80317271692918 | erot = 3.54273524643272 | epot = -37.8451815180301 | etot = -30.4992735546682 -33000 ekin = 3.78703980355191 | erot = 3.99364624500488 | epot = -37.9406281896734 | etot = -30.1599421411166 -34000 ekin = 3.77142087668807 | erot = 3.88594611308813 | epot = -38.097584352555 | etot = -30.4402173627788 -35000 ekin = 3.71264930628466 | erot = 3.65225843687418 | epot = -38.2835289304067 | etot = -30.9186211872479 -36000 ekin = 3.74220790707641 | erot = 3.95952222810293 | epot = -38.4596915935922 | etot = -30.7579614584129 -37000 ekin = 3.82423101226177 | erot = 4.44859396622365 | epot = -38.6538277887212 | etot = -30.3810028102358 -38000 ekin = 3.69455547696862 | erot = 4.82722829899228 | epot = -38.8348230288023 | etot = -30.3130392528414 -39000 ekin = 3.5954890965849 | erot = 5.03318978839678 | epot = -38.9632877762132 | etot = -30.3346088912316 -40000 ekin = 3.7239082672625 | erot = 4.77008246177599 | epot = -39.0432740898072 | etot = -30.5492833607687 -41000 ekin = 3.71845130286974 | erot = 4.66721188475359 | epot = -39.0678678855713 | etot = -30.6822046979479 -42000 ekin = 3.5469605515821 | erot = 4.50731751167304 | epot = -39.0616854007739 | etot = -31.0074073375187 -43000 ekin = 3.57495163768248 | erot = 4.94852093613523 | epot = -39.0169365666547 | etot = -30.493463992837 -44000 ekin = 3.52915394890506 | erot = 5.14481752350032 | epot = -38.9320102816114 | etot = -30.258038809206 -45000 ekin = 3.36103362047063 | erot = 5.30737062665206 | epot = -38.8074049309155 | etot = -30.1390006837928 -46000 ekin = 3.33204426677158 | erot = 4.63880623753679 | epot = -38.6602813061652 | etot = -30.6894308018569 -47000 ekin = 3.34546960167669 | erot = 4.072379763769 | epot = -38.5241501078281 | etot = -31.1063007423824 -48000 ekin = 3.40049787952112 | erot = 4.05251615432405 | epot = -38.3938498073687 | etot = -30.9408357735235 -49000 ekin = 3.31008896923648 | erot = 4.20737258711336 | epot = -38.2514760468933 | etot = -30.7340144905435 -50000 ekin = 3.27384446847297 | erot = 3.84861240213718 | epot = -38.0781706006623 | etot = -30.9557137300522 -51000 ekin = 3.28837845708164 | erot = 4.03176750511309 | epot = -37.9124524403703 | etot = -30.5923064781756 -52000 ekin = 3.3261261077424 | erot = 3.69449114481263 | epot = -37.7461543084426 | etot = -30.7255370558875 -53000 ekin = 3.24704253260756 | erot = 3.82351300738067 | epot = -37.5996085904181 | etot = -30.5290530504299 -54000 ekin = 3.28722266262306 | erot = 3.86366065026156 | epot = -37.4297798097104 | etot = -30.2788964968257 -55000 ekin = 3.24079189906262 | erot = 3.69908024112639 | epot = -37.2469422361789 | etot = -30.3070700959899 -56000 ekin = 3.183124569803 | erot = 3.47133297155146 | epot = -37.0860684089791 | etot = -30.4316108676246 -57000 ekin = 3.22541795737962 | erot = 3.05594699251087 | epot = -36.9568071104528 | etot = -30.6754421605623 -58000 ekin = 3.32107899021702 | erot = 2.99608132055983 | epot = -36.8451019319952 | etot = -30.5279416212183 -59000 ekin = 3.3775603338752 | erot = 3.02468556348897 | epot = -36.7527120143507 | etot = -30.3504661169865 -60000 ekin = 3.3783851820659 | erot = 2.80486585978131 | epot = -36.6500489307871 | etot = -30.4667978889399 -61000 ekin = 3.4259305825981 | erot = 2.57336693961335 | epot = -36.5598996921942 | etot = -30.5606021699827 -62000 ekin = 3.38330194206295 | erot = 2.48716523240079 | epot = -36.4917506706078 | etot = -30.6212834961441 -63000 ekin = 3.23944564751902 | erot = 2.68514269262901 | epot = -36.4581690118127 | etot = -30.5335806716646 -64000 ekin = 3.12857340842367 | erot = 2.81379000215884 | epot = -36.4694531808169 | etot = -30.5270897702344 -65000 ekin = 3.0972900172278 | erot = 2.97796742393482 | epot = -36.4999099304858 | etot = -30.4246524893232 -66000 ekin = 3.02532625214509 | erot = 2.98352661182224 | epot = -36.5477137384001 | etot = -30.5388608744328 -67000 ekin = 3.14798260660729 | erot = 3.20065089850768 | epot = -36.6320762786642 | etot = -30.2834427735492 -68000 ekin = 3.28121216444371 | erot = 3.27703862715896 | epot = -36.7797333797323 | etot = -30.2214825881296 -69000 ekin = 3.39109863872899 | erot = 3.49453676740748 | epot = -36.9477169900692 | etot = -30.0620815839328 -70000 ekin = 3.52145416968701 | erot = 3.19663795891378 | epot = -37.1459833247571 | etot = -30.4278911961563 -71000 ekin = 3.72588366820837 | erot = 3.11523594110614 | epot = -37.3394708863316 | etot = -30.4983512770171 -72000 ekin = 3.87053189634972 | erot = 3.51504753627359 | epot = -37.5837173340768 | etot = -30.1981379014535 -73000 ekin = 4.043534645073 | erot = 3.57819581965021 | epot = -37.8491002809696 | etot = -30.2273698162464 -74000 ekin = 4.21655599164747 | erot = 3.67972843708688 | epot = -38.0370200626724 | etot = -30.1407356339381 -75000 ekin = 4.2751803734558 | erot = 3.50148075250732 | epot = -38.1503543696657 | etot = -30.3736932437026 -76000 ekin = 4.39260378383777 | erot = 3.17711135808546 | epot = -38.2269779234848 | etot = -30.6572627815615 -77000 ekin = 4.46694156592454 | erot = 3.28356630286401 | epot = -38.2567512319265 | etot = -30.506243363138 -78000 ekin = 4.58031785764229 | erot = 3.27581240698066 | epot = -38.2501645622451 | etot = -30.3940342976221 -79000 ekin = 4.74132912230535 | erot = 3.40062659497661 | epot = -38.2259226034585 | etot = -30.0839668861766 -80000 ekin = 4.84478519554072 | erot = 3.56980153308286 | epot = -38.14766861013 | etot = -29.7330818815064 -81000 ekin = 4.71163727717015 | erot = 3.65201658810459 | epot = -38.0489180007765 | etot = -29.6852641355017 -82000 ekin = 4.62310894573492 | erot = 3.61128178949357 | epot = -37.9515873690417 | etot = -29.7171966338132 -83000 ekin = 4.53890753637813 | erot = 3.79707688079936 | epot = -37.8589639327863 | etot = -29.5229795156088 -84000 ekin = 4.51952558800272 | erot = 3.75897913437636 | epot = -37.8043394039473 | etot = -29.5258346815682 -85000 ekin = 4.44986224636044 | erot = 4.10169839029415 | epot = -37.7952059629819 | etot = -29.2436453263273 -86000 ekin = 4.40335859262171 | erot = 4.18303158637893 | epot = -37.840594671262 | etot = -29.2542044922614 -87000 ekin = 4.34352629789854 | erot = 4.00093225674539 | epot = -37.8981775676818 | etot = -29.5537190130379 -88000 ekin = 4.39692532206221 | erot = 3.88765396717304 | epot = -37.9120170018269 | etot = -29.6274377125917 -89000 ekin = 4.3589540780767 | erot = 4.0687705270632 | epot = -37.8812041939536 | etot = -29.4534795888137 -90000 ekin = 4.20715511673659 | erot = 3.96880041117212 | epot = -37.8268382933969 | etot = -29.6508827654882 -91000 ekin = 4.2202199323169 | erot = 4.12841045745315 | epot = -37.7475084891388 | etot = -29.3988780993687 -92000 ekin = 4.1326498688273 | erot = 3.86635436032376 | epot = -37.6428932571545 | etot = -29.6438890280035 -93000 ekin = 4.05697056146658 | erot = 3.48249980793546 | epot = -37.5034004108467 | etot = -29.9639300414447 -94000 ekin = 3.85560920909744 | erot = 3.51617278195642 | epot = -37.371684822218 | etot = -29.9999028311642 -95000 ekin = 3.7069616782419 | erot = 3.7453999268692 | epot = -37.2425364302767 | etot = -29.7901748251656 -96000 ekin = 3.64541489153227 | erot = 3.55177042583784 | epot = -37.1071295289257 | etot = -29.9099442115556 -97000 ekin = 3.59427366044239 | erot = 3.58237376190961 | epot = -36.9903312497973 | etot = -29.8136838274453 -98000 ekin = 3.36609732779817 | erot = 3.78920076230078 | epot = -36.8893462899042 | etot = -29.7340481998052 -99000 ekin = 3.24308716626432 | erot = 3.98439513504784 | epot = -36.7958275145326 | etot = -29.5683452132204 -100000 ekin = 3.10105716620438 | erot = 3.88380514198999 | epot = -36.7237148853879 | etot = -29.7388525771935 -101000 ekin = 3.05392814208233 | erot = 3.92712981026601 | epot = -36.701962452506 | etot = -29.7209045001576 -102000 ekin = 3.21793305977178 | erot = 4.11601242104532 | epot = -36.7682713932638 | etot = -29.4343259124467 -103000 ekin = 3.29518049820435 | erot = 4.13622147772539 | epot = -36.8839850328129 | etot = -29.4525830568832 -104000 ekin = 3.38349143563889 | erot = 4.1183455666037 | epot = -37.0170458924454 | etot = -29.5152088902028 -105000 ekin = 3.43063719220638 | erot = 4.19281995644327 | epot = -37.150125503217 | etot = -29.5266683545673 -106000 ekin = 3.3930587869785 | erot = 4.59139499879992 | epot = -37.2962927182996 | etot = -29.3118389325211 -107000 ekin = 3.49611625167344 | erot = 4.42190170056941 | epot = -37.4298253792172 | etot = -29.5118074269743 -108000 ekin = 3.59165643487494 | erot = 4.73333858652918 | epot = -37.482137044902 | etot = -29.1571420234978 -109000 ekin = 3.59878557010229 | erot = 5.08720641062802 | epot = -37.4454225962908 | etot = -28.7594306155605 -110000 ekin = 3.52607850054465 | erot = 4.92743402067557 | epot = -37.33464551381 | etot = -28.8811329925897 -111000 ekin = 3.52196404281882 | erot = 4.48970120472559 | epot = -37.2166378630308 | etot = -29.2049726154863 -112000 ekin = 3.64094551226758 | erot = 4.18578082474331 | epot = -37.1356107687899 | etot = -29.3088844317791 -113000 ekin = 3.59908785035488 | erot = 3.81929848767613 | epot = -37.1563156196511 | etot = -29.7379292816201 -114000 ekin = 3.73247165614552 | erot = 3.7191219132616 | epot = -37.1841072802386 | etot = -29.7325137108315 -115000 ekin = 3.81386546938849 | erot = 3.49889872890822 | epot = -37.2616543115737 | etot = -29.948890113277 -116000 ekin = 4.05829999340919 | erot = 3.58390665501405 | epot = -37.4003005682591 | etot = -29.7580939198359 -117000 ekin = 4.27550110925089 | erot = 3.79076820440125 | epot = -37.5923004712666 | etot = -29.5260311576145 -118000 ekin = 4.45490103530269 | erot = 3.77915185795812 | epot = -37.7846946186124 | etot = -29.5506417253515 -119000 ekin = 4.58790399115696 | erot = 3.86870152715706 | epot = -37.9811558924431 | etot = -29.5245503741291 -120000 ekin = 4.92259141545412 | erot = 3.84940365834982 | epot = -38.1382043293411 | etot = -29.3662092555371 -121000 ekin = 5.13183269148667 | erot = 4.03705087488496 | epot = -38.2560800244005 | etot = -29.0871964580288 -122000 ekin = 5.17140868558226 | erot = 3.61810962674133 | epot = -38.3381390234359 | etot = -29.5486207111123 -123000 ekin = 5.28384467069957 | erot = 4.14897954513993 | epot = -38.3803925391061 | etot = -28.9475683232666 -124000 ekin = 5.45144965935832 | erot = 3.74948516195925 | epot = -38.4152715166921 | etot = -29.2143366953745 -125000 ekin = 5.49907232704504 | erot = 3.62957174075197 | epot = -38.4698081948487 | etot = -29.3411641270517 -126000 ekin = 5.81275552922944 | erot = 3.50370762045612 | epot = -38.5369283444346 | etot = -29.2204651947491 -127000 ekin = 5.71810535961462 | erot = 3.50153411217264 | epot = -38.6097648991183 | etot = -29.390125427331 -128000 ekin = 5.59769610955185 | erot = 2.99726680348478 | epot = -38.6545287261786 | etot = -30.059565813142 -129000 ekin = 5.51657182067137 | erot = 3.37515224045319 | epot = -38.6909141535699 | etot = -29.7991900924454 -130000 ekin = 5.46626997343554 | erot = 3.77525421867741 | epot = -38.7059148210791 | etot = -29.4643906289662 -131000 ekin = 5.369877414402 | erot = 3.92459463488634 | epot = -38.6781199948582 | etot = -29.3836479455698 -132000 ekin = 5.13704854270014 | erot = 3.89365302265538 | epot = -38.6113331110915 | etot = -29.580631545736 -133000 ekin = 5.04851208372184 | erot = 4.17613618410306 | epot = -38.4969113589734 | etot = -29.2722630911485 -134000 ekin = 4.96335667475941 | erot = 4.28428652813741 | epot = -38.308416110038 | etot = -29.0607729071412 -135000 ekin = 4.67485522816795 | erot = 3.71485446937039 | epot = -38.0437601659662 | etot = -29.6540504684278 -136000 ekin = 4.4890629916043 | erot = 4.19015103736215 | epot = -37.7533241067258 | etot = -29.0741100777593 -137000 ekin = 4.31371561077616 | erot = 3.47925724303299 | epot = -37.4739407743081 | etot = -29.6809679204989 -138000 ekin = 3.96696543473023 | erot = 3.71675428283175 | epot = -37.2042587721437 | etot = -29.5205390545817 -139000 ekin = 3.59101315513219 | erot = 3.64278698721068 | epot = -36.9457852108051 | etot = -29.7119850684622 -140000 ekin = 3.44095423425017 | erot = 3.49830537198652 | epot = -36.7203613080872 | etot = -29.7811017018505 -141000 ekin = 3.36296546737369 | erot = 3.56983741924066 | epot = -36.4964767451357 | etot = -29.5636738585213 -142000 ekin = 3.18252441669259 | erot = 3.32935464682758 | epot = -36.3244758925308 | etot = -29.8125968290106 -143000 ekin = 3.18465930443846 | erot = 3.56170045589814 | epot = -36.2215210957505 | etot = -29.4751613354139 -144000 ekin = 3.08106725409747 | erot = 3.50261030291633 | epot = -36.1512447258049 | etot = -29.5675671687911 -145000 ekin = 3.08093776365794 | erot = 3.51948185643724 | epot = -36.0863085456317 | etot = -29.4858889255365 -146000 ekin = 3.02030159479387 | erot = 3.3739730546246 | epot = -36.0845314152703 | etot = -29.6902567658518 -147000 ekin = 3.0413907298566 | erot = 3.36603954258596 | epot = -36.1557232229402 | etot = -29.7482929504977 -148000 ekin = 3.14853067203595 | erot = 3.14562859809704 | epot = -36.2494960139439 | etot = -29.9553367438109 -149000 ekin = 3.18195150813314 | erot = 3.58071760906443 | epot = -36.3477640598882 | etot = -29.5850949426907 -150000 ekin = 3.21133048800031 | erot = 3.85389957660328 | epot = -36.4132627454733 | etot = -29.3480326808697 -151000 ekin = 3.3414410423208 | erot = 3.49391537632178 | epot = -36.47829445309 | etot = -29.6429380344474 -152000 ekin = 3.38469121090166 | erot = 3.35926284582918 | epot = -36.5578474424856 | etot = -29.8138933857547 -153000 ekin = 3.52527639525701 | erot = 3.56811727016358 | epot = -36.6674257186129 | etot = -29.5740320531923 -154000 ekin = 3.77924799771095 | erot = 3.5214579525681 | epot = -36.7622601921048 | etot = -29.4615542418258 -155000 ekin = 3.83418008764662 | erot = 3.28305394597573 | epot = -36.8282659682374 | etot = -29.7110319346151 -156000 ekin = 3.87517167307552 | erot = 2.7562101543893 | epot = -36.8507311290664 | etot = -30.2193493016016 -157000 ekin = 3.89846784481937 | erot = 3.03513966490494 | epot = -36.8490467787069 | etot = -29.9154392689826 -158000 ekin = 3.86372390524165 | erot = 3.0673314083842 | epot = -36.8143502444316 | etot = -29.8832949308058 -159000 ekin = 3.87560822586875 | erot = 2.72238394226955 | epot = -36.7720066653759 | etot = -30.1740144972376 -160000 ekin = 3.81659540649487 | erot = 2.79162883042019 | epot = -36.745609213871 | etot = -30.137384976956 -161000 ekin = 3.90364665450438 | erot = 2.85891130626961 | epot = -36.6767188031099 | etot = -29.9141608423359 -162000 ekin = 3.93432840871727 | erot = 3.23277686088047 | epot = -36.60685028113 | etot = -29.4397450115322 -163000 ekin = 3.97425577903338 | erot = 2.70754263327096 | epot = -36.5720643915924 | etot = -29.890265979288 -164000 ekin = 3.91949827572788 | erot = 3.05668804181471 | epot = -36.5812838593575 | etot = -29.6050975418149 -165000 ekin = 3.99425179561608 | erot = 3.29785069907607 | epot = -36.6379374004751 | etot = -29.345834905783 -166000 ekin = 4.02904533815474 | erot = 3.36634066781855 | epot = -36.7340868254029 | etot = -29.3387008194296 -167000 ekin = 4.03733260336922 | erot = 3.51733984448521 | epot = -36.8476519248263 | etot = -29.2929794769719 -168000 ekin = 4.01641387278262 | erot = 3.37538682559192 | epot = -36.9710980220148 | etot = -29.5792973236403 -169000 ekin = 3.94799788749928 | erot = 3.38842418926867 | epot = -37.1207420196424 | etot = -29.7843199428744 -170000 ekin = 3.98944239104452 | erot = 3.56779767670648 | epot = -37.2922600249326 | etot = -29.7350199571816 -171000 ekin = 4.04980262307219 | erot = 3.87308310464248 | epot = -37.4956434312003 | etot = -29.5727577034856 -172000 ekin = 4.10498686244998 | erot = 4.24595756362569 | epot = -37.6879527015205 | etot = -29.3370082754448 -173000 ekin = 4.12919710204796 | erot = 4.28575123018842 | epot = -37.8940672883479 | etot = -29.4791189561115 -174000 ekin = 4.04607401980617 | erot = 4.41784593637473 | epot = -38.1063274639924 | etot = -29.6424075078115 -175000 ekin = 4.13007220306847 | erot = 4.39679134693123 | epot = -38.3139522350302 | etot = -29.7870886850305 -176000 ekin = 4.14146369640392 | erot = 4.2556500250018 | epot = -38.5085743578719 | etot = -30.1114606364662 -177000 ekin = 4.33605278083781 | erot = 4.58687123058824 | epot = -38.6633454116433 | etot = -29.7404214002173 -178000 ekin = 4.32688916484258 | erot = 4.50454813785642 | epot = -38.7700089206445 | etot = -29.9385716179455 -179000 ekin = 4.39331384776139 | erot = 4.88121292734146 | epot = -38.8147888868654 | etot = -29.5402621117625 -180000 ekin = 4.36409495919737 | erot = 4.62653667682629 | epot = -38.7920356589672 | etot = -29.8014040229435 -181000 ekin = 4.40002739116585 | erot = 4.26572305349584 | epot = -38.7320900980018 | etot = -30.0663396533401 -182000 ekin = 4.38584471768771 | erot = 4.03958660380969 | epot = -38.6652721860916 | etot = -30.2398408645942 -183000 ekin = 4.38872118980224 | erot = 4.03920994265183 | epot = -38.5494953603397 | etot = -30.1215642278857 -184000 ekin = 4.58261674670921 | erot = 4.09854761999454 | epot = -38.3858248419668 | etot = -29.7046604752631 -185000 ekin = 4.61324410405521 | erot = 4.15998485211173 | epot = -38.1895073749226 | etot = -29.4162784187557 -186000 ekin = 4.58712030480558 | erot = 3.80292929559519 | epot = -37.9691363595879 | etot = -29.5790867591871 -187000 ekin = 4.49704057160045 | erot = 3.79953063209059 | epot = -37.7563677349904 | etot = -29.4597965312994 -188000 ekin = 4.67801335458777 | erot = 3.94614018085653 | epot = -37.5596730791519 | etot = -28.9355195437076 -189000 ekin = 4.7263502885126 | erot = 3.9798634268042 | epot = -37.3737961852728 | etot = -28.667582469956 -190000 ekin = 4.70422886783179 | erot = 3.76567525080944 | epot = -37.1968328742627 | etot = -28.7269287556214 -191000 ekin = 4.76615905270464 | erot = 4.11771710042017 | epot = -37.0524866708235 | etot = -28.1686105176987 -192000 ekin = 4.66334615993974 | erot = 4.32180108624847 | epot = -36.9281089002544 | etot = -27.9429616540662 -193000 ekin = 4.5422727261274 | erot = 4.37403333624765 | epot = -36.8106507982273 | etot = -27.8943447358523 -194000 ekin = 4.46258388626876 | erot = 4.57094153868298 | epot = -36.7126835627949 | etot = -27.6791581378432 -195000 ekin = 4.26009039309735 | erot = 5.10893274622639 | epot = -36.6717506302945 | etot = -27.3027274909708 -196000 ekin = 4.24016895096483 | erot = 4.95101320260763 | epot = -36.6607739952161 | etot = -27.4695918416436 -197000 ekin = 4.0755550793312 | erot = 5.33731157611758 | epot = -36.6886082622524 | etot = -27.2757416068037 -198000 ekin = 3.9809171395143 | erot = 5.37374733968369 | epot = -36.7238260637154 | etot = -27.3691615845174 -199000 ekin = 4.00067330792124 | erot = 5.3603518042305 | epot = -36.764372481588 | etot = -27.4033473694362 -200000 ekin = 3.91652525768025 | erot = 4.88675678602841 | epot = -36.7730308398536 | etot = -27.969748796145 -201000 ekin = 3.81609915882248 | erot = 4.31400854830177 | epot = -36.7481890160659 | etot = -28.6180813089416 -202000 ekin = 3.71932569397631 | erot = 4.38569878861448 | epot = -36.6956778034213 | etot = -28.5906533208305 -203000 ekin = 3.64290623072102 | erot = 4.37503789459276 | epot = -36.6304609598591 | etot = -28.6125168345453 -204000 ekin = 3.52854777039998 | erot = 4.29732321046279 | epot = -36.5744389849194 | etot = -28.7485680040566 -205000 ekin = 3.4768831982614 | erot = 4.0520539676819 | epot = -36.5314565547125 | etot = -29.0025193887692 -206000 ekin = 3.57867350058535 | erot = 4.28681914674893 | epot = -36.5152410045854 | etot = -28.6497483572511 -207000 ekin = 3.67789472949151 | erot = 4.07649115773262 | epot = -36.4807964879222 | etot = -28.7264106006981 -208000 ekin = 3.75162300302661 | erot = 3.99412890438543 | epot = -36.4719013777701 | etot = -28.7261494703581 -209000 ekin = 3.82882555477005 | erot = 4.07806686544371 | epot = -36.5274965379161 | etot = -28.6206041177023 -210000 ekin = 3.94589957381378 | erot = 4.05524037388615 | epot = -36.6356567037895 | etot = -28.6345167560895 -211000 ekin = 4.07654365300279 | erot = 3.99406586158679 | epot = -36.7715123193752 | etot = -28.7009028047856 -212000 ekin = 4.2840931333187 | erot = 4.41351434873049 | epot = -36.9240266223073 | etot = -28.2264191402581 -213000 ekin = 4.49200123946036 | erot = 4.57752549048046 | epot = -37.0744914076603 | etot = -28.0049646777194 -214000 ekin = 4.68170470060604 | erot = 4.83486386570169 | epot = -37.2372407583261 | etot = -27.7206721920184 -215000 ekin = 4.98081379617958 | erot = 4.46606343482534 | epot = -37.4068324828889 | etot = -27.959955251884 -216000 ekin = 5.16729766417706 | erot = 4.60318830168444 | epot = -37.5464555705166 | etot = -27.7759696046551 -217000 ekin = 5.38386929678608 | erot = 4.7775249437354 | epot = -37.6405601527452 | etot = -27.4791659122238 -218000 ekin = 5.7058164504659 | erot = 4.70370884810713 | epot = -37.6984019699825 | etot = -27.2888766714095 -219000 ekin = 5.88600523163654 | erot = 4.58694924042796 | epot = -37.7125786046508 | etot = -27.2396241325863 -220000 ekin = 6.15427965489048 | erot = 4.4293131697244 | epot = -37.684602076139 | etot = -27.1010092515241 -221000 ekin = 6.20955938016028 | erot = 4.5400172518757 | epot = -37.6213945439902 | etot = -26.8718179119542 -222000 ekin = 6.245684726226 | erot = 4.97311797105747 | epot = -37.5132484834202 | etot = -26.2944457861367 -223000 ekin = 6.23087495739563 | erot = 4.87026240860726 | epot = -37.4093126450279 | etot = -26.308175279025 -224000 ekin = 6.34215727178204 | erot = 4.95416073100327 | epot = -37.3138628835634 | etot = -26.0175448807781 -225000 ekin = 6.34418551658382 | erot = 4.97197547495996 | epot = -37.2296241301022 | etot = -25.9134631385584 -226000 ekin = 6.27234146176852 | erot = 4.71232076169797 | epot = -37.1649091144301 | etot = -26.1802468909636 -227000 ekin = 6.2978205054749 | erot = 4.6427999636898 | epot = -37.1521034204924 | etot = -26.2114829513277 -228000 ekin = 6.45215375342435 | erot = 4.66543105642573 | epot = -37.1176036705896 | etot = -26.0000188607395 -229000 ekin = 6.57609932445515 | erot = 4.31104294387344 | epot = -37.0319087568372 | etot = -26.1447664885086 -230000 ekin = 6.39415967649336 | erot = 4.16613500609569 | epot = -36.9020701489008 | etot = -26.3417754663118 -231000 ekin = 6.06981997767599 | erot = 4.16164382029996 | epot = -36.7672531588273 | etot = -26.5357893608513 -232000 ekin = 6.07851417086657 | erot = 3.9261416963498 | epot = -36.6287349588698 | etot = -26.6240790916534 -233000 ekin = 5.86578448983439 | erot = 3.89415959164456 | epot = -36.4650343354141 | etot = -26.7050902539352 -234000 ekin = 5.66525736866315 | erot = 3.89419060194094 | epot = -36.3317105619271 | etot = -26.772262591323 -235000 ekin = 5.45947253618461 | erot = 3.51915643493529 | epot = -36.187740376365 | etot = -27.2091114052451 -236000 ekin = 5.23839596197821 | erot = 3.35080370425694 | epot = -36.0601413821494 | etot = -27.4709417159143 -237000 ekin = 5.1101503869311 | erot = 3.41418634041018 | epot = -35.9797234474537 | etot = -27.4553867201124 -238000 ekin = 5.07705507560338 | erot = 3.55422258848856 | epot = -35.9558941013151 | etot = -27.3246164372232 -239000 ekin = 5.11036683512679 | erot = 3.60903830571299 | epot = -35.9686036709473 | etot = -27.2491985301075 -240000 ekin = 5.05273101840571 | erot = 3.85355249273444 | epot = -36.0380166955235 | etot = -27.1317331843833 -241000 ekin = 5.09369536459432 | erot = 3.64338000437258 | epot = -36.1343234897528 | etot = -27.3972481207859 -242000 ekin = 5.26488817621371 | erot = 4.01055195692819 | epot = -36.2412063129132 | etot = -26.9657661797713 -243000 ekin = 5.23195261673081 | erot = 4.46546566729792 | epot = -36.3456054296423 | etot = -26.6481871456136 -244000 ekin = 5.2263873943456 | erot = 4.31088904489877 | epot = -36.4415840114132 | etot = -26.9043075721688 -245000 ekin = 5.4485313703965 | erot = 4.1760797727831 | epot = -36.5182986507186 | etot = -26.893687507539 -246000 ekin = 5.514569703999 | erot = 3.74595442038546 | epot = -36.5760003166759 | etot = -27.3154761922915 -247000 ekin = 5.60809096900033 | erot = 4.1530771765417 | epot = -36.6102851986095 | etot = -26.8491170530675 -248000 ekin = 5.44607700345191 | erot = 4.00137483235474 | epot = -36.6173189081378 | etot = -27.1698670723311 -249000 ekin = 5.39824066997525 | erot = 4.00527284085329 | epot = -36.6178595818605 | etot = -27.214346071032 -250000 ekin = 5.40591864200742 | erot = 3.83152692098416 | epot = -36.5913298844141 | etot = -27.3538843214225 -251000 ekin = 5.42515843147862 | erot = 3.74120297831913 | epot = -36.5372880481642 | etot = -27.3709266383664 -252000 ekin = 5.47125756589202 | erot = 3.93923600749381 | epot = -36.471810314552 | etot = -27.0613167411661 -253000 ekin = 5.45280164405867 | erot = 4.07788577485892 | epot = -36.3971958399348 | etot = -26.8665084210172 -254000 ekin = 5.3513601049315 | erot = 4.05065697891602 | epot = -36.3208515747322 | etot = -26.9188344908847 -255000 ekin = 5.26929844479146 | erot = 3.99546469631083 | epot = -36.2503502909161 | etot = -26.9855871498138 -256000 ekin = 5.28023678974977 | erot = 4.22040986008186 | epot = -36.1946445254543 | etot = -26.6939978756227 -257000 ekin = 5.06048081748216 | erot = 4.23177072888008 | epot = -36.1310700373968 | etot = -26.8388184910345 -258000 ekin = 5.04266904507247 | erot = 4.32321520328045 | epot = -36.0647093578741 | etot = -26.6988251095212 -259000 ekin = 4.83091830266297 | erot = 4.34656742782648 | epot = -36.0089991272053 | etot = -26.8315133967159 -260000 ekin = 4.8366999116753 | erot = 4.25709648660373 | epot = -35.9697036974581 | etot = -26.8759072991791 -261000 ekin = 4.77396719262911 | erot = 4.09292214976309 | epot = -35.9054139064698 | etot = -27.0385245640776 -262000 ekin = 4.66601270858316 | erot = 3.73102576614686 | epot = -35.8157479345083 | etot = -27.4187094597782 -263000 ekin = 4.5802706196014 | erot = 3.74679758350907 | epot = -35.763125473781 | etot = -27.4360572706705 -264000 ekin = 4.65921569864806 | erot = 3.90501973344001 | epot = -35.7356757776833 | etot = -27.1714403455952 -265000 ekin = 4.67586149937246 | erot = 3.94654925905539 | epot = -35.7049387943745 | etot = -27.0825280359466 -266000 ekin = 4.69584694538507 | erot = 3.98055672084537 | epot = -35.6673176149256 | etot = -26.9909139486952 -267000 ekin = 4.78499421532903 | erot = 4.03648169158355 | epot = -35.6392507408887 | etot = -26.8177748339762 -268000 ekin = 4.84316914009027 | erot = 3.99860778002458 | epot = -35.6448334716846 | etot = -26.8030565515698 -269000 ekin = 4.90837806472302 | erot = 4.04652570535924 | epot = -35.649642070165 | etot = -26.6947383000828 -270000 ekin = 4.78579400655265 | erot = 4.34179455226949 | epot = -35.6115561484003 | etot = -26.4839675895782 -271000 ekin = 4.85153732395756 | erot = 3.76641259729531 | epot = -35.6137753066569 | etot = -26.9958253854041 -272000 ekin = 4.97803664593748 | erot = 4.19853764559909 | epot = -35.6642256780782 | etot = -26.4876513865416 -273000 ekin = 4.99431287425834 | erot = 4.16775756950281 | epot = -35.7125500141222 | etot = -26.550479570361 -274000 ekin = 5.02755533075287 | erot = 4.06015777810463 | epot = -35.7335253506929 | etot = -26.6458122418354 -275000 ekin = 4.96372481963251 | erot = 4.27522667590908 | epot = -35.7375976828855 | etot = -26.4986461873439 -276000 ekin = 5.07934127118672 | erot = 4.03884457577096 | epot = -35.7684807851678 | etot = -26.6502949382101 -277000 ekin = 5.11065676525152 | erot = 3.89593355388432 | epot = -35.8299825238661 | etot = -26.8233922047303 -278000 ekin = 5.1443449346496 | erot = 4.10431801630134 | epot = -35.9156424264972 | etot = -26.6669794755462 -279000 ekin = 5.13854043459778 | erot = 3.33687958464079 | epot = -35.956728093981 | etot = -27.4813080747424 -280000 ekin = 5.13698711985589 | erot = 3.1321095347808 | epot = -35.9663254349012 | etot = -27.6972287802645 -281000 ekin = 5.12014323326413 | erot = 3.01072130069925 | epot = -35.9687821467587 | etot = -27.8379176127953 -282000 ekin = 5.07487298196239 | erot = 2.78222371236679 | epot = -35.9666224009215 | etot = -28.1095257065923 -283000 ekin = 4.93728532174466 | erot = 2.51682526487924 | epot = -36.0092096947436 | etot = -28.5550991081197 -284000 ekin = 5.10799487537405 | erot = 2.3440616424374 | epot = -36.0766867016227 | etot = -28.6246301838113 -285000 ekin = 5.21438921803052 | erot = 2.42355410917329 | epot = -36.1686025783616 | etot = -28.5306592511578 -286000 ekin = 5.22674428893651 | erot = 2.43127546535983 | epot = -36.2811716154221 | etot = -28.6231518611258 -287000 ekin = 5.42842235635998 | erot = 2.80110266939557 | epot = -36.3926299688273 | etot = -28.1631049430717 -288000 ekin = 5.53841609379908 | erot = 3.04198571498586 | epot = -36.5118610231699 | etot = -27.9314592143849 -289000 ekin = 5.34670403011154 | erot = 3.09938875481729 | epot = -36.6304827875401 | etot = -28.1843900026112 -290000 ekin = 5.34231674745526 | erot = 3.31160144161424 | epot = -36.7456392368764 | etot = -28.0917210478069 -291000 ekin = 5.36188526202275 | erot = 3.45917476353447 | epot = -36.830253723617 | etot = -28.0091936980598 -292000 ekin = 5.47780509141236 | erot = 3.77906726321862 | epot = -36.8842491471661 | etot = -27.6273767925352 -293000 ekin = 5.28302000096918 | erot = 3.57818629599089 | epot = -36.8949841799428 | etot = -28.0337778829827 -294000 ekin = 5.30853543438887 | erot = 3.56263204697633 | epot = -36.882573669786 | etot = -28.0114061884208 -295000 ekin = 5.20536069491219 | erot = 3.77206495855704 | epot = -36.8703913967999 | etot = -27.8929657433306 -296000 ekin = 5.16948391824644 | erot = 3.64242202500146 | epot = -36.8524591521913 | etot = -28.0405532089434 -297000 ekin = 5.1494869829345 | erot = 3.56300071318446 | epot = -36.8077681088429 | etot = -28.0952804127239 -298000 ekin = 5.07831718808035 | erot = 3.56647326916626 | epot = -36.744195155603 | etot = -28.0994046983564 -299000 ekin = 5.07638833142117 | erot = 3.33911289208767 | epot = -36.7050879472256 | etot = -28.2895867237168 -300000 ekin = 5.03413727775456 | erot = 3.74853034027389 | epot = -36.6636621891816 | etot = -27.8809945711531 -301000 ekin = 4.97235848835814 | erot = 3.32835758650091 | epot = -36.6711630757892 | etot = -28.3704470009301 -302000 ekin = 5.00968958710056 | erot = 3.04854259478488 | epot = -36.7093256921451 | etot = -28.6510935102597 -303000 ekin = 5.1292911047111 | erot = 3.0802372254873 | epot = -36.795184172806 | etot = -28.5856558426076 -304000 ekin = 5.16690416140478 | erot = 3.34049274709003 | epot = -36.9126194047394 | etot = -28.4052224962446 -305000 ekin = 5.23349789631498 | erot = 3.46551744359711 | epot = -37.0448370009157 | etot = -28.3458216610036 -306000 ekin = 5.28860974527375 | erot = 3.56105103024499 | epot = -37.1811985422458 | etot = -28.331537766727 -307000 ekin = 5.40125295123197 | erot = 3.87520415097952 | epot = -37.305532344159 | etot = -28.0290752419475 -308000 ekin = 5.46740727789042 | erot = 3.91865002312578 | epot = -37.3892778155261 | etot = -28.0032205145099 -309000 ekin = 5.43990046762827 | erot = 4.00265425349897 | epot = -37.4336308324244 | etot = -27.9910761112972 -310000 ekin = 5.38744019614258 | erot = 3.91760045067575 | epot = -37.4766997166651 | etot = -28.1716590698468 -311000 ekin = 5.54869794564892 | erot = 3.97913763348738 | epot = -37.5380640420292 | etot = -28.0102284628929 -312000 ekin = 5.71519006739901 | erot = 4.09263126769853 | epot = -37.5745318459447 | etot = -27.7667105108472 -313000 ekin = 5.6033160766113 | erot = 3.83543196463871 | epot = -37.6101139619699 | etot = -28.1713659207199 -314000 ekin = 5.51800417081449 | erot = 3.7494474523441 | epot = -37.6279066647947 | etot = -28.3604550416361 -315000 ekin = 5.47833005901023 | erot = 4.08581993263846 | epot = -37.640612435341 | etot = -28.0764624436923 -316000 ekin = 5.33860837296314 | erot = 4.51116644302074 | epot = -37.6217312448188 | etot = -27.7719564288349 -317000 ekin = 5.23941916557637 | erot = 4.78689518832666 | epot = -37.5731600528526 | etot = -27.5468456989496 -318000 ekin = 5.11187775633096 | erot = 4.82958812680045 | epot = -37.5155006216097 | etot = -27.5740347384783 -319000 ekin = 5.22954347525673 | erot = 4.49457407004902 | epot = -37.4371163833057 | etot = -27.7129988379999 -320000 ekin = 5.30878948863381 | erot = 4.92186054084637 | epot = -37.3586788029377 | etot = -27.1280287734575 -321000 ekin = 5.25051542685381 | erot = 4.81963950413314 | epot = -37.312294527991 | etot = -27.242139597004 -322000 ekin = 5.07574443571145 | erot = 4.74007360204254 | epot = -37.2420599117425 | etot = -27.4262418739885 -323000 ekin = 5.02653253509398 | erot = 4.66604787555051 | epot = -37.1620424354781 | etot = -27.4694620248336 -324000 ekin = 5.12999279273078 | erot = 4.55456244400836 | epot = -37.1081993843437 | etot = -27.4236441476046 -325000 ekin = 5.01484863365284 | erot = 5.03270116093522 | epot = -37.0549970668846 | etot = -27.0074472722965 -326000 ekin = 5.15105125743379 | erot = 4.77726330645663 | epot = -37.0062804471441 | etot = -27.0779658832536 -327000 ekin = 5.17373663939365 | erot = 4.75720955177068 | epot = -36.9735735310227 | etot = -27.0426273398583 -328000 ekin = 5.3265809986393 | erot = 4.45847251670642 | epot = -36.9463177254327 | etot = -27.161264210087 -329000 ekin = 5.28491385975242 | erot = 4.2365002087062 | epot = -36.9151642788529 | etot = -27.3937502103943 -330000 ekin = 5.12552135481241 | erot = 4.79027984581669 | epot = -36.8863179466156 | etot = -26.9705167459865 -331000 ekin = 5.12103290586646 | erot = 5.03778117543897 | epot = -36.8413630474537 | etot = -26.6825489661482 -332000 ekin = 5.06929714597599 | erot = 4.90820597157558 | epot = -36.7488012231943 | etot = -26.7712981056427 -333000 ekin = 4.96505468499544 | erot = 5.01335794632771 | epot = -36.6271163009906 | etot = -26.6487036696675 -334000 ekin = 4.99343125906637 | erot = 5.01439694959174 | epot = -36.5036049758879 | etot = -26.4957767672298 -335000 ekin = 4.90069371729849 | erot = 4.54385275511644 | epot = -36.377759964637 | etot = -26.9332134922221 -336000 ekin = 5.07863725672843 | erot = 4.69305135725114 | epot = -36.2629152842743 | etot = -26.4912266702948 -337000 ekin = 4.94799955754099 | erot = 4.52583833193054 | epot = -36.1612360033446 | etot = -26.6873981138731 -338000 ekin = 4.85224868200247 | erot = 4.50041298245536 | epot = -36.0752991866368 | etot = -26.7226375221789 -339000 ekin = 4.72144640536392 | erot = 4.54752039051201 | epot = -35.9970632546959 | etot = -26.7280964588199 -340000 ekin = 4.80943098922142 | erot = 4.34708343509477 | epot = -35.9687361528339 | etot = -26.8122217285177 -341000 ekin = 4.70361214653912 | erot = 4.47793300498467 | epot = -35.9999322617892 | etot = -26.8183871102654 -342000 ekin = 4.760647614817 | erot = 4.66605256976235 | epot = -36.043378412271 | etot = -26.6166782276917 -343000 ekin = 4.67728032528815 | erot = 4.66100839176406 | epot = -35.9211632159817 | etot = -26.5828744989295 -344000 ekin = 4.96339724601292 | erot = 4.93823124551203 | epot = -36.221225061482 | etot = -26.3195965699571 -345000 ekin = 4.92216540601213 | erot = 5.1046016577438 | epot = -36.3841924486031 | etot = -26.3574253848472 -346000 ekin = 4.99792813974919 | erot = 4.77882820289924 | epot = -36.4406602112532 | etot = -26.6639038686048 -347000 ekin = 4.97738387739169 | erot = 4.57238123569558 | epot = -36.4353446283207 | etot = -26.8855795152334 -348000 ekin = 4.92451917191373 | erot = 4.32330547944782 | epot = -36.3741726686484 | etot = -27.1263480172868 -349000 ekin = 4.79018344488603 | erot = 4.64955099606439 | epot = -36.223205179622 | etot = -26.7834707386715 -350000 ekin = 4.74997485376182 | erot = 4.41441619332993 | epot = -36.0086530481282 | etot = -26.8442620010365 -351000 ekin = 4.65861306362181 | erot = 4.54712008187925 | epot = -35.7312651155864 | etot = -26.5255319700854 -352000 ekin = 4.64876538273227 | erot = 4.76138349321479 | epot = -35.450636936112 | etot = -26.0404880601649 -353000 ekin = 4.59253342081085 | erot = 4.29456686626191 | epot = -35.1553683981329 | etot = -26.2682681110601 -354000 ekin = 4.5381016314927 | erot = 4.43945254667789 | epot = -34.9111484982536 | etot = -25.933594320083 -355000 ekin = 4.47391617267677 | erot = 4.20275229581173 | epot = -34.7382448152821 | etot = -26.0615763467936 -356000 ekin = 4.33084740359937 | erot = 4.16589789857719 | epot = -34.645946257664 | etot = -26.1492009554875 -357000 ekin = 4.27639689643637 | erot = 4.49834201135572 | epot = -34.623409347858 | etot = -25.848670440066 -358000 ekin = 4.37058163127658 | erot = 4.62827517810171 | epot = -34.660122927085 | etot = -25.6612661177067 -359000 ekin = 4.33282658147941 | erot = 4.3585277169614 | epot = -34.7355034140379 | etot = -26.0441491155971 -360000 ekin = 4.2302574599471 | erot = 3.73692187296606 | epot = -34.8272714416459 | etot = -26.8600921087327 -361000 ekin = 4.32772510308598 | erot = 3.40799158120822 | epot = -34.9260321184263 | etot = -27.1903154341322 -362000 ekin = 4.43772207587162 | erot = 3.9282425665155 | epot = -35.0362517129443 | etot = -26.6702870705572 -363000 ekin = 4.60059512711759 | erot = 3.7852782080073 | epot = -35.1492303885082 | etot = -26.7633570533833 -364000 ekin = 4.67620778921833 | erot = 3.65656363115961 | epot = -35.2108467629343 | etot = -26.8780753425564 -365000 ekin = 4.68744796027403 | erot = 3.48647035761076 | epot = -35.2579291425392 | etot = -27.0840108246544 -366000 ekin = 4.63171694657446 | erot = 3.80732263161716 | epot = -35.3317328424945 | etot = -26.8926932643029 -367000 ekin = 4.58794520776148 | erot = 4.31664541166342 | epot = -35.411407687399 | etot = -26.5068170679741 -368000 ekin = 4.53697760644357 | erot = 4.37812449310863 | epot = -35.4654560531489 | etot = -26.5503539535967 -369000 ekin = 4.50593348762471 | erot = 4.09682529638636 | epot = -35.502904475486 | etot = -26.9001456914749 -370000 ekin = 4.51011536275126 | erot = 4.41695795738184 | epot = -35.5220659543718 | etot = -26.5949926342387 -371000 ekin = 4.53049860135433 | erot = 4.68112317413008 | epot = -35.5213297387008 | etot = -26.3097079632164 -372000 ekin = 4.42660066351885 | erot = 4.78148611859358 | epot = -35.5227844835439 | etot = -26.3146977014315 -373000 ekin = 4.28146792836402 | erot = 4.87997662616423 | epot = -35.4825501780567 | etot = -26.3211056235285 -374000 ekin = 4.13287464156697 | erot = 4.84001159820239 | epot = -35.4523011025149 | etot = -26.4794148627455 -375000 ekin = 4.1254545194713 | erot = 4.8180743382467 | epot = -35.4637375699461 | etot = -26.5202087122281 -376000 ekin = 3.87506271806603 | erot = 5.35141111797724 | epot = -35.4720072259952 | etot = -26.2455333899519 -377000 ekin = 3.7977056590801 | erot = 5.28013401771242 | epot = -35.5177354201969 | etot = -26.4398957434044 -378000 ekin = 3.64048261255653 | erot = 5.42072423796152 | epot = -35.5808236384767 | etot = -26.5196167879587 -379000 ekin = 3.52386111576647 | erot = 5.97567004606738 | epot = -35.6532146067625 | etot = -26.1536834449286 -380000 ekin = 3.32387900413189 | erot = 6.59135162244889 | epot = -35.7551331169142 | etot = -25.8399024903334 -381000 ekin = 3.31695717077463 | erot = 6.10983514346576 | epot = -35.8815158952862 | etot = -26.4547235810458 -382000 ekin = 3.19546651526133 | erot = 6.36489840256999 | epot = -35.9926058393689 | etot = -26.4322409215376 -383000 ekin = 3.24368169764623 | erot = 6.33114976953635 | epot = -36.0664601033037 | etot = -26.4916286361211 -384000 ekin = 3.20726412806439 | erot = 6.19392941274155 | epot = -36.13258109202 | etot = -26.7313875512141 -385000 ekin = 3.23885859839814 | erot = 6.31552666314694 | epot = -36.1503271354803 | etot = -26.5959418739352 -386000 ekin = 3.16874411708083 | erot = 5.94413881699879 | epot = -36.1310192334958 | etot = -27.0181362994162 -387000 ekin = 3.1549970524927 | erot = 5.48308596050834 | epot = -36.0714221491829 | etot = -27.4333391361819 -388000 ekin = 3.24907989403076 | erot = 5.58200944567837 | epot = -35.9925882356966 | etot = -27.1614988959874 -389000 ekin = 3.39871525437769 | erot = 5.14342534967113 | epot = -35.9262739307719 | etot = -27.384133326723 -390000 ekin = 3.53157771561222 | erot = 5.0660110699086 | epot = -35.908983793516 | etot = -27.3113950079952 -391000 ekin = 3.64602168736988 | erot = 4.88661504875141 | epot = -35.885482230409 | etot = -27.3528454942877 -392000 ekin = 3.79325143536366 | erot = 5.07292816992986 | epot = -35.8524207546015 | etot = -26.986241149308 -393000 ekin = 3.89148460233114 | erot = 5.02930522203665 | epot = -35.795122258631 | etot = -26.8743324342632 -394000 ekin = 3.96458882833181 | erot = 4.47630346760488 | epot = -35.7247928997471 | etot = -27.2839006038104 -395000 ekin = 4.03856036181308 | erot = 4.53784941780792 | epot = -35.6586367417738 | etot = -27.0822269621528 -396000 ekin = 3.99683646706711 | erot = 4.49727898211262 | epot = -35.5718421340357 | etot = -27.077726684856 -397000 ekin = 4.03872005304138 | erot = 4.03153022392527 | epot = -35.5101946272741 | etot = -27.4399443503075 -398000 ekin = 4.01516330520003 | erot = 4.23226303701241 | epot = -35.4578715559685 | etot = -27.2104452137561 -399000 ekin = 4.01922616565289 | erot = 3.71642260619024 | epot = -35.3548490578807 | etot = -27.6192002860376 -400000 ekin = 4.17225085372102 | erot = 4.04093039429602 | epot = -35.2265510847563 | etot = -27.0133698367392 -401000 ekin = 4.1531499643259 | erot = 3.64804961209453 | epot = -35.0943512868027 | etot = -27.2931517103823 -402000 ekin = 4.20245298417996 | erot = 3.70137380667448 | epot = -34.9745627237163 | etot = -27.0707359328619 -403000 ekin = 4.34132456228991 | erot = 3.62891618665791 | epot = -34.8718657472304 | etot = -26.9016249982826 -404000 ekin = 4.42465890243367 | erot = 3.38938035287143 | epot = -34.7967250831428 | etot = -26.9826858278377 -405000 ekin = 4.60663041953486 | erot = 3.44054758174463 | epot = -34.7925257887161 | etot = -26.7453477874366 -406000 ekin = 4.73346375173126 | erot = 3.27915256113194 | epot = -34.8343083282573 | etot = -26.8216920153941 -407000 ekin = 4.82559135473415 | erot = 3.35253133282322 | epot = -34.9059066553788 | etot = -26.7277839678214 -408000 ekin = 4.89298564336964 | erot = 3.47339817729183 | epot = -34.9848536782083 | etot = -26.6184698575468 -409000 ekin = 4.94069048180851 | erot = 3.76649967413607 | epot = -35.0728065521172 | etot = -26.3656163961726 -410000 ekin = 5.0837627829781 | erot = 3.48855890171053 | epot = -35.187607935011 | etot = -26.6152862503224 -411000 ekin = 5.10492342399056 | erot = 3.39152717909369 | epot = -35.2939784996981 | etot = -26.7975278966138 -412000 ekin = 5.2111592148929 | erot = 3.62435455589215 | epot = -35.3853247581651 | etot = -26.54981098738 -413000 ekin = 5.25687541732572 | erot = 3.76308251202569 | epot = -35.4593584594661 | etot = -26.4394005301146 -414000 ekin = 5.1324847249699 | erot = 3.31025282824723 | epot = -35.5393093363061 | etot = -27.0965717830889 -415000 ekin = 5.09217261574528 | erot = 3.59401320391361 | epot = -35.6051617924017 | etot = -26.9189759727428 -416000 ekin = 5.04807348985225 | erot = 3.48392073248423 | epot = -35.6748296719198 | etot = -27.1428354495833 -417000 ekin = 4.99138526936748 | erot = 3.46255923404135 | epot = -35.7531502554471 | etot = -27.2992057520383 -418000 ekin = 5.08999508315138 | erot = 3.44390708246943 | epot = -35.8333696081094 | etot = -27.2994674424886 -419000 ekin = 5.21842750435985 | erot = 3.38325168590963 | epot = -35.8593643490784 | etot = -27.2576851588089 -420000 ekin = 5.28947719533168 | erot = 3.50797044377656 | epot = -35.8848039905133 | etot = -27.0873563514051 -421000 ekin = 5.35268927232197 | erot = 3.36603650801233 | epot = -35.8749221051677 | etot = -27.1561963248334 -422000 ekin = 5.23695191026875 | erot = 3.5384192070691 | epot = -35.889640869454 | etot = -27.1142697521161 -423000 ekin = 5.09577504756812 | erot = 3.67923583037239 | epot = -35.9137595336543 | etot = -27.1387486557138 -424000 ekin = 5.01335188113047 | erot = 3.70110718137013 | epot = -35.9185617531989 | etot = -27.2041026906983 -425000 ekin = 5.05206155589306 | erot = 3.57652002072429 | epot = -35.9081181462489 | etot = -27.2795365696316 -426000 ekin = 4.96532396129214 | erot = 3.38938274590534 | epot = -35.8769982527922 | etot = -27.5222915455948 -427000 ekin = 4.77195218714309 | erot = 3.50252627514185 | epot = -35.7935414010628 | etot = -27.5190629387779 -428000 ekin = 4.81068646615448 | erot = 3.51825958765431 | epot = -35.6664317412178 | etot = -27.337485687409 -429000 ekin = 4.73870321335492 | erot = 3.84986931063852 | epot = -35.48737645591 | etot = -26.8988039319166 -430000 ekin = 4.60213714825158 | erot = 3.45284870606443 | epot = -35.3073410925574 | etot = -27.2523552382414 -431000 ekin = 4.57358006593925 | erot = 3.25422348182535 | epot = -35.1367594918962 | etot = -27.3089559441316 -432000 ekin = 4.5072400368044 | erot = 3.29998192315337 | epot = -35.0290425710883 | etot = -27.2218206111306 -433000 ekin = 4.30860495703181 | erot = 3.42741416873389 | epot = -34.9513402987262 | etot = -27.2153211729605 -434000 ekin = 4.18610269286835 | erot = 3.55059973000668 | epot = -34.9144648758603 | etot = -27.1777624529852 -435000 ekin = 4.12003359590273 | erot = 3.78033374370969 | epot = -34.8780591099565 | etot = -26.9776917703441 -436000 ekin = 3.97313974106111 | erot = 4.05117020636312 | epot = -34.8427841720093 | etot = -26.8184742245851 -437000 ekin = 3.88596008320741 | erot = 4.32902730056047 | epot = -34.8121331683379 | etot = -26.59714578457 -438000 ekin = 4.0300322104638 | erot = 4.35508047283467 | epot = -34.7917492531093 | etot = -26.4066365698108 -439000 ekin = 4.04655148511089 | erot = 4.17322604141044 | epot = -34.7786348227552 | etot = -26.5588572962338 -440000 ekin = 4.02801522674428 | erot = 4.13470601724877 | epot = -34.783993085415 | etot = -26.621271841422 -441000 ekin = 3.9407814794189 | erot = 4.22144190117305 | epot = -34.8185771480924 | etot = -26.6563537675004 -442000 ekin = 3.97730990695624 | erot = 4.24233406975314 | epot = -34.8718962191131 | etot = -26.6522522424037 -443000 ekin = 3.98508138243203 | erot = 4.16122580291752 | epot = -34.9266782585657 | etot = -26.7803710732162 -444000 ekin = 4.00042709081881 | erot = 4.50741850480051 | epot = -34.9630696153483 | etot = -26.455224019729 -445000 ekin = 4.02620459576009 | erot = 4.64580325300967 | epot = -34.9893039643633 | etot = -26.3172961155935 -446000 ekin = 4.01454608720561 | erot = 4.89747165518573 | epot = -34.9969089036747 | etot = -26.0848911612834 -447000 ekin = 3.9634269487331 | erot = 4.85867800390581 | epot = -34.9830933662453 | etot = -26.1609884136064 -448000 ekin = 3.74592315828131 | erot = 5.17578433357899 | epot = -34.9638816619607 | etot = -26.0421741701004 -449000 ekin = 3.73316291077397 | erot = 5.18498661281911 | epot = -34.928043894125 | etot = -26.0098943705319 -450000 ekin = 3.85313039093471 | erot = 4.86926583888851 | epot = -34.871696979835 | etot = -26.1493007500118 -451000 ekin = 4.0635928053116 | erot = 4.99817049859077 | epot = -34.8377147695102 | etot = -25.7759514656078 -452000 ekin = 4.12215980217323 | erot = 4.58488292412152 | epot = -34.8398353293668 | etot = -26.132792603072 -453000 ekin = 4.16332842884585 | erot = 4.32671008371169 | epot = -34.8570499988891 | etot = -26.3670114863315 -454000 ekin = 4.11754892618458 | erot = 4.47415692336241 | epot = -34.8913194738516 | etot = -26.2996136243046 -455000 ekin = 4.22185774995392 | erot = 4.65517828169302 | epot = -34.9334347985056 | etot = -26.0563987668587 -456000 ekin = 4.30177202276186 | erot = 4.77747798616555 | epot = -35.0188770940117 | etot = -25.9396270850843 -457000 ekin = 4.26451460758692 | erot = 4.69009499467403 | epot = -35.1021143238335 | etot = -26.1475047215725 -458000 ekin = 4.31289289804826 | erot = 4.48148846421096 | epot = -35.1135359976452 | etot = -26.319154635386 -459000 ekin = 4.40924309472913 | erot = 4.70052929057904 | epot = -35.3709113999322 | etot = -26.261139014624 -460000 ekin = 4.47691183250362 | erot = 4.50574141189091 | epot = -35.566195356935 | etot = -26.5835421125405 -461000 ekin = 4.43873436995047 | erot = 4.99077626254052 | epot = -35.6310455171601 | etot = -26.2015348846691 -462000 ekin = 4.38932525316334 | erot = 4.94989100042744 | epot = -35.7174404682251 | etot = -26.3782242146343 -463000 ekin = 4.36115268480756 | erot = 5.66229263914062 | epot = -35.7828736923833 | etot = -25.7594283684351 -464000 ekin = 4.32411863133059 | erot = 5.21874712373015 | epot = -35.831817418358 | etot = -26.2889516632972 -465000 ekin = 4.25283049437785 | erot = 4.89311928407883 | epot = -35.8307748329822 | etot = -26.6848250545255 -466000 ekin = 3.97961054012127 | erot = 4.30523919521546 | epot = -35.8019205162795 | etot = -27.5170707809428 -467000 ekin = 3.96957942645049 | erot = 4.02414635207156 | epot = -35.7935881476328 | etot = -27.7998623691107 -468000 ekin = 3.81067149059023 | erot = 3.91311573890038 | epot = -35.8192046044613 | etot = -28.0954173749707 -469000 ekin = 3.82956653035844 | erot = 3.76358708523021 | epot = -35.8554657317423 | etot = -28.2623121161536 -470000 ekin = 3.84315155222981 | erot = 3.46319185355953 | epot = -35.9283028420635 | etot = -28.6219594362741 -471000 ekin = 3.84189885920186 | erot = 3.51787257644774 | epot = -36.0370536568174 | etot = -28.6772822211678 -472000 ekin = 3.86861114122289 | erot = 3.36458500068021 | epot = -36.136832298983 | etot = -28.9036361570799 -473000 ekin = 3.73700168734163 | erot = 3.58329228877658 | epot = -36.2233655143198 | etot = -28.9030715382016 -474000 ekin = 3.82928273613466 | erot = 3.70070391401449 | epot = -36.2919855352817 | etot = -28.7619988851326 -475000 ekin = 3.89544030959981 | erot = 3.76401640046676 | epot = -36.368430738898 | etot = -28.7089740288314 -476000 ekin = 4.08932767113311 | erot = 3.7090790175484 | epot = -36.4684310716285 | etot = -28.670024382947 -477000 ekin = 4.15334136664067 | erot = 3.70899967496142 | epot = -36.5311600367317 | etot = -28.6688189951296 -478000 ekin = 4.07512882728801 | erot = 3.80913887771278 | epot = -36.5715417700018 | etot = -28.687274065001 -479000 ekin = 3.96184225144662 | erot = 3.67584263229307 | epot = -36.6049454628497 | etot = -28.96726057911 -480000 ekin = 3.86072911979592 | erot = 3.85211085064263 | epot = -36.6106292252495 | etot = -28.897789254811 -481000 ekin = 3.78563823255482 | erot = 4.02431409923187 | epot = -36.604468258428 | etot = -28.7945159266413 -482000 ekin = 3.81986353724767 | erot = 3.94457553240232 | epot = -36.555624249585 | etot = -28.791185179935 -483000 ekin = 3.91937069686989 | erot = 3.97985471481289 | epot = -36.4953515335722 | etot = -28.5961261218894 -484000 ekin = 3.90565472316258 | erot = 3.68508276016124 | epot = -36.4265142327187 | etot = -28.8357767493949 -485000 ekin = 3.97067640669119 | erot = 3.52818833629898 | epot = -36.3385351029671 | etot = -28.8396703599769 -486000 ekin = 4.08924338068637 | erot = 3.45150371793016 | epot = -36.2407040808275 | etot = -28.699956982211 -487000 ekin = 4.0776172953027 | erot = 3.69577064303949 | epot = -36.1174543397059 | etot = -28.3440664013637 -488000 ekin = 3.98120330041654 | erot = 4.01179749212316 | epot = -35.9662140009108 | etot = -27.9732132083711 -489000 ekin = 3.94304108511277 | erot = 4.09948585344473 | epot = -35.8365811443669 | etot = -27.7940542058094 -490000 ekin = 3.98200750178095 | erot = 4.1933065556559 | epot = -35.7436522395692 | etot = -27.5683381821323 -491000 ekin = 4.04453601319225 | erot = 4.06864604679556 | epot = -35.6813038605047 | etot = -27.5681218005169 -492000 ekin = 4.10478194610714 | erot = 4.27931273272371 | epot = -35.6201850620968 | etot = -27.2360903832659 -493000 ekin = 4.14218811078641 | erot = 4.30328516242947 | epot = -35.552932172172 | etot = -27.1074588989561 -494000 ekin = 4.15483197917405 | erot = 4.22087230768693 | epot = -35.5007035923698 | etot = -27.1249993055088 -495000 ekin = 4.26671892357318 | erot = 4.21745137304138 | epot = -35.4450128389798 | etot = -26.9608425423653 -496000 ekin = 4.42373869014847 | erot = 3.65535322096903 | epot = -35.3933064942827 | etot = -27.3142145831652 -497000 ekin = 4.57363309591063 | erot = 3.63766344362447 | epot = -35.3630685420949 | etot = -27.1517720025598 -498000 ekin = 4.7241733979428 | erot = 3.40665904233516 | epot = -35.3570714026385 | etot = -27.2262389623605 -499000 ekin = 4.76806375994875 | erot = 3.58204839805272 | epot = -35.3646341268585 | etot = -27.014521968857 -500000 ekin = 4.86803273232483 | erot = 3.40069391727023 | epot = -35.4199817543268 | etot = -27.1512551047318 -501000 ekin = 4.96743307602627 | erot = 3.46724128896305 | epot = -35.4970649677118 | etot = -27.0623906027225 -502000 ekin = 4.91929166862615 | erot = 3.57165212036678 | epot = -35.5889625489512 | etot = -27.0980187599583 -503000 ekin = 4.90703913138678 | erot = 3.86458875313933 | epot = -35.6771862828227 | etot = -26.9055583982966 -504000 ekin = 5.1370533506199 | erot = 3.5369546296831 | epot = -35.7347477259461 | etot = -27.0607397456431 -505000 ekin = 5.23249143944225 | erot = 3.46343104093314 | epot = -35.7820571844966 | etot = -27.0861347041212 -506000 ekin = 5.11675278315717 | erot = 3.7206718650993 | epot = -35.8198968197658 | etot = -26.9824721715093 -507000 ekin = 5.1899390138749 | erot = 4.15215085847695 | epot = -35.8269271672396 | etot = -26.4848372948877 -508000 ekin = 4.9859787822663 | erot = 4.11598571893968 | epot = -35.7826195676286 | etot = -26.6806550664226 -509000 ekin = 4.8941242567771 | erot = 4.30807642739895 | epot = -35.6890852058564 | etot = -26.4868845216804 -510000 ekin = 4.89504815269032 | erot = 4.46013837584195 | epot = -35.5893215666418 | etot = -26.2341350381096 -511000 ekin = 4.85835750083421 | erot = 4.41721118692693 | epot = -35.4748886415727 | etot = -26.1993199538116 -512000 ekin = 4.85632567302005 | erot = 4.58501467870099 | epot = -35.3170557845382 | etot = -25.8757154328171 -513000 ekin = 4.79088228903437 | erot = 4.4189824922301 | epot = -35.1398620511889 | etot = -25.9299972699244 -514000 ekin = 4.84082723167344 | erot = 4.10048582144436 | epot = -34.952894027941 | etot = -26.0115809748232 -515000 ekin = 4.66396867258937 | erot = 3.7079532547263 | epot = -34.8081323279133 | etot = -26.4362104005976 -516000 ekin = 4.4520372226043 | erot = 3.7424161749218 | epot = -34.7399422586774 | etot = -26.5454888611513 -517000 ekin = 4.39320763550332 | erot = 3.61293763489243 | epot = -34.7115969229745 | etot = -26.7054516525788 -518000 ekin = 4.3351626742312 | erot = 3.46685163663689 | epot = -34.7205591716219 | etot = -26.9185448607538 -519000 ekin = 4.32678001120832 | erot = 3.8333130859946 | epot = -34.7543932584755 | etot = -26.5943001612725 -520000 ekin = 4.16017569753314 | erot = 3.99442103376417 | epot = -34.7797387277815 | etot = -26.6251419964842 -521000 ekin = 4.01091284601602 | erot = 4.71227661622732 | epot = -34.8119764016188 | etot = -26.0887869393754 -522000 ekin = 3.9255586814989 | erot = 4.67306017627962 | epot = -34.8638412525408 | etot = -26.2652223947623 -523000 ekin = 4.10629342994203 | erot = 4.236908212199 | epot = -34.9392637364661 | etot = -26.5960620943251 -524000 ekin = 4.16964406138591 | erot = 4.51539305326744 | epot = -35.0302476439308 | etot = -26.3452105292774 -525000 ekin = 4.14574067413465 | erot = 4.59255192964589 | epot = -35.1665459803983 | etot = -26.4282533766178 -526000 ekin = 4.296358047754 | erot = 5.381812036993 | epot = -35.3702076593238 | etot = -25.6920375745768 -527000 ekin = 4.43341423246361 | erot = 5.4208701656542 | epot = -35.5881352754177 | etot = -25.7338508772999 -528000 ekin = 4.65221997264072 | erot = 5.64432261927517 | epot = -35.7907306535609 | etot = -25.494188061645 -529000 ekin = 4.75833001518924 | erot = 6.22279494556947 | epot = -35.9649272181716 | etot = -24.9838022574129 -530000 ekin = 4.85254900576415 | erot = 6.26630645813046 | epot = -36.1175112827238 | etot = -24.9986558188292 -531000 ekin = 4.88314038497982 | erot = 6.22256761998238 | epot = -36.2218727030894 | etot = -25.1161646981272 -532000 ekin = 4.89429192132463 | erot = 6.19376619305432 | epot = -36.2791850407375 | etot = -25.1911269263585 -533000 ekin = 4.98074956905521 | erot = 6.71246035574362 | epot = -36.2873072492241 | etot = -24.5940973244253 -534000 ekin = 5.05914514163862 | erot = 6.72049132345808 | epot = -36.2541186702089 | etot = -24.4744822051122 -535000 ekin = 4.98307281629264 | erot = 6.60876507020625 | epot = -36.1722591997817 | etot = -24.5804213132828 -536000 ekin = 4.92092214615494 | erot = 6.71824597922688 | epot = -36.0492643890656 | etot = -24.4100962636838 -537000 ekin = 4.73594122849286 | erot = 6.46069540815352 | epot = -35.9116294607651 | etot = -24.7149928241187 -538000 ekin = 4.79280389212849 | erot = 6.10794151385203 | epot = -35.7423046160126 | etot = -24.8415592100321 -539000 ekin = 4.77579753855575 | erot = 5.97217188520334 | epot = -35.5336009816514 | etot = -24.7856315578923 -540000 ekin = 4.5934335322059 | erot = 6.0288231594335 | epot = -35.2969540919917 | etot = -24.6746974003523 -541000 ekin = 4.56261508857232 | erot = 5.60884609986387 | epot = -35.074241498478 | etot = -24.9027803100418 -542000 ekin = 4.4230407907828 | erot = 5.24180126466482 | epot = -34.8728664426871 | etot = -25.2080243872395 -543000 ekin = 4.31458565966237 | erot = 5.3064811880571 | epot = -34.6809264080031 | etot = -25.0598595602836 -544000 ekin = 4.16990383767255 | erot = 5.09480741715239 | epot = -34.5077033118771 | etot = -25.2429920570521 -545000 ekin = 4.03506404145806 | erot = 4.95913193735205 | epot = -34.3738505570893 | etot = -25.3796545782792 -546000 ekin = 4.05283758597002 | erot = 4.62357416672456 | epot = -34.2732549004477 | etot = -25.5968431477531 -547000 ekin = 3.91892476341072 | erot = 4.42471065792704 | epot = -34.1888485564159 | etot = -25.8452131350781 -548000 ekin = 3.85923648383023 | erot = 4.18493881932583 | epot = -34.1251823218203 | etot = -26.0810070186642 -549000 ekin = 3.89277095561291 | erot = 4.20183962759824 | epot = -34.0968256559695 | etot = -26.0022150727584 -550000 ekin = 3.88489313663741 | erot = 4.0698735084027 | epot = -34.083498992554 | etot = -26.1287323475139 -551000 ekin = 3.87639970039824 | erot = 4.25043058335786 | epot = -34.0931086790785 | etot = -25.9662783953224 -552000 ekin = 3.88627319211738 | erot = 4.0010203354773 | epot = -34.163860291438 | etot = -26.2765667638433 -553000 ekin = 4.05569156373835 | erot = 3.56403629580258 | epot = -34.2474834864243 | etot = -26.6277556268834 -554000 ekin = 4.25626838001505 | erot = 3.70804766862573 | epot = -34.2954308218042 | etot = -26.3311147731634 -555000 ekin = 4.26487407035246 | erot = 3.78496110408411 | epot = -34.3412268896546 | etot = -26.291391715218 -556000 ekin = 4.24622902964942 | erot = 4.03454820388574 | epot = -34.3344093396383 | etot = -26.0536321061031 -557000 ekin = 4.0731966983783 | erot = 3.86372668854402 | epot = -34.2640157691765 | etot = -26.3270923822542 -558000 ekin = 3.9948930644697 | erot = 3.82027814531928 | epot = -34.1455461859523 | etot = -26.3303749761633 -559000 ekin = 4.00179663426005 | erot = 3.82651776959161 | epot = -33.9924674804782 | etot = -26.1641530766265 -560000 ekin = 3.90938418270034 | erot = 3.49539199637402 | epot = -33.8018928207131 | etot = -26.3971166416387 -561000 ekin = 3.70375196060258 | erot = 3.38165869548275 | epot = -33.615733164291 | etot = -26.5303225082057 -562000 ekin = 3.64392595608231 | erot = 3.67997084627181 | epot = -33.4612560313007 | etot = -26.1373592289466 -563000 ekin = 3.59769761679705 | erot = 3.74125845764523 | epot = -33.3480734777517 | etot = -26.0091174033094 -564000 ekin = 3.58725325354742 | erot = 3.35524020938125 | epot = -33.267517196837 | etot = -26.3250237339083 -565000 ekin = 3.63835964444106 | erot = 3.77402574563878 | epot = -33.240901552366 | etot = -25.8285161622862 -566000 ekin = 3.64384501808566 | erot = 3.77515123487333 | epot = -33.2503593116368 | etot = -25.8313630586779 -567000 ekin = 3.63214417671457 | erot = 3.86854489788161 | epot = -33.2603190278794 | etot = -25.7596299532833 -568000 ekin = 3.76759211619052 | erot = 3.9732101485638 | epot = -33.2947231384409 | etot = -25.5539208736866 -569000 ekin = 3.75607920629751 | erot = 3.91893504114413 | epot = -33.3766443391901 | etot = -25.7016300917484 -570000 ekin = 3.88570178164854 | erot = 3.8701337006161 | epot = -33.4676246266793 | etot = -25.7117891444146 -571000 ekin = 3.91109063039706 | erot = 4.38873366379694 | epot = -33.5301619269313 | etot = -25.2303376327373 -572000 ekin = 3.9135736753704 | erot = 4.54669425634133 | epot = -33.5613071721044 | etot = -25.1010392403927 -573000 ekin = 4.00256460246037 | erot = 4.69928602914644 | epot = -33.547965409059 | etot = -24.8461147774522 -574000 ekin = 4.04557469411573 | erot = 4.85104808888591 | epot = -33.4823141367226 | etot = -24.5856913537209 -575000 ekin = 4.01990448331334 | erot = 4.48360936846642 | epot = -33.4090682352895 | etot = -24.9055543835097 -576000 ekin = 3.8077042063495 | erot = 4.4090298473991 | epot = -33.3559765416156 | etot = -25.139242487867 -577000 ekin = 3.65176770723656 | erot = 4.69770290650885 | epot = -33.3414847753624 | etot = -24.992014161617 -578000 ekin = 3.65416507269697 | erot = 5.09984939028917 | epot = -33.3628873386868 | etot = -24.6088728757007 -579000 ekin = 3.65457514215401 | erot = 4.83085466504536 | epot = -33.4229058723706 | etot = -24.9374760651712 -580000 ekin = 3.61022362260401 | erot = 5.21507039569716 | epot = -33.5257015423967 | etot = -24.7004075240955 -581000 ekin = 3.494914275922 | erot = 5.80898315058267 | epot = -33.6374701054948 | etot = -24.3335726789901 -582000 ekin = 3.45150652331189 | erot = 5.20797294729429 | epot = -33.7413132898266 | etot = -25.0818338192204 -583000 ekin = 3.43883253778127 | erot = 4.99240818298312 | epot = -33.7992206024418 | etot = -25.3679798816774 -584000 ekin = 3.41950743993982 | erot = 5.30429667829813 | epot = -33.8273198616872 | etot = -25.1035157434492 -585000 ekin = 3.52988736379251 | erot = 5.26888625710182 | epot = -33.8562169326841 | etot = -25.0574433117897 -586000 ekin = 3.54522421505632 | erot = 5.15182886320336 | epot = -33.8748034063857 | etot = -25.177750328126 -587000 ekin = 3.64975640444305 | erot = 4.43116878398965 | epot = -33.8790223191809 | etot = -25.7980971307482 -588000 ekin = 3.85787406303013 | erot = 4.33848995606292 | epot = -33.9012642894901 | etot = -25.704900270397 -589000 ekin = 3.94871508842027 | erot = 4.36958758855398 | epot = -33.9512157067312 | etot = -25.632913029757 -590000 ekin = 4.04576150007614 | erot = 4.34777620153041 | epot = -33.9849374243125 | etot = -25.5913997227059 -591000 ekin = 4.13483818439864 | erot = 4.2847530812366 | epot = -33.997537224377 | etot = -25.5779459587418 -592000 ekin = 4.25566804148588 | erot = 4.00241438742632 | epot = -33.9905173022463 | etot = -25.7324348733341 -593000 ekin = 4.26695504286498 | erot = 3.75133860519142 | epot = -33.9824243028368 | etot = -25.9641306547804 -594000 ekin = 4.24513038558001 | erot = 3.88826331815687 | epot = -33.9597952629285 | etot = -25.8264015591916 -595000 ekin = 4.33307108334578 | erot = 3.92609577318101 | epot = -33.9197199407769 | etot = -25.6605530842501 -596000 ekin = 4.23611726585083 | erot = 3.89070717461436 | epot = -33.8740124837555 | etot = -25.7471880432903 -597000 ekin = 4.40233879096545 | erot = 3.99738130824423 | epot = -33.8902431987863 | etot = -25.4905230995766 -598000 ekin = 4.23795477390283 | erot = 4.04526003587962 | epot = -33.9155939268415 | etot = -25.632379117059 -599000 ekin = 4.13745802988963 | erot = 3.88641709707891 | epot = -33.9296772436184 | etot = -25.9058021166499 -600000 ekin = 4.21239990479373 | erot = 3.82373814742806 | epot = -33.9651236246002 | etot = -25.9289855723784 -601000 ekin = 4.31969973340156 | erot = 3.98399943561206 | epot = -34.0172721411617 | etot = -25.7135729721481 -602000 ekin = 4.27803621196591 | erot = 4.02063732656592 | epot = -34.1006984229854 | etot = -25.8020248844535 -603000 ekin = 4.31016670434105 | erot = 4.06109056998793 | epot = -34.2290225355025 | etot = -25.8577652611735 -604000 ekin = 4.35436231281015 | erot = 4.27081433433638 | epot = -34.3693989473761 | etot = -25.7442223002295 -605000 ekin = 4.29263786573535 | erot = 4.35816455016065 | epot = -34.5293522620236 | etot = -25.8785498461276 -606000 ekin = 4.23493766333219 | erot = 4.45889694601915 | epot = -34.6959569640143 | etot = -26.002122354663 -607000 ekin = 4.21589668454704 | erot = 4.35851580050846 | epot = -34.8643734064671 | etot = -26.2899609214116 -608000 ekin = 4.31617609118148 | erot = 4.37118434041818 | epot = -35.0106665625387 | etot = -26.323306130939 -609000 ekin = 4.40054829762706 | erot = 4.09556922746415 | epot = -35.1090427558584 | etot = -26.6129252307672 -610000 ekin = 4.38360179734749 | erot = 4.43080811091103 | epot = -35.1590130940805 | etot = -26.344603185822 -611000 ekin = 4.30911071720803 | erot = 4.66858603342419 | epot = -35.199774136202 | etot = -26.2220773855698 -612000 ekin = 4.38115044343898 | erot = 4.62952065066672 | epot = -35.2189008927589 | etot = -26.2082297986532 -613000 ekin = 4.49640333428286 | erot = 4.73033949191667 | epot = -35.2311946320123 | etot = -26.0044518058127 -614000 ekin = 4.42698019674728 | erot = 4.54387450238911 | epot = -35.2270245654641 | etot = -26.2561698663278 -615000 ekin = 4.3629388204899 | erot = 4.65167437175519 | epot = -35.2500098144353 | etot = -26.2353966221903 -616000 ekin = 4.25552094369014 | erot = 3.96773357990598 | epot = -35.2626465654004 | etot = -27.0393920418043 -617000 ekin = 4.02844203107081 | erot = 3.93306028038353 | epot = -35.3085438772357 | etot = -27.3470415657814 -618000 ekin = 3.91410624199523 | erot = 3.99915504239056 | epot = -35.3773572154983 | etot = -27.4640959311125 -619000 ekin = 3.9294433404095 | erot = 3.65858234543169 | epot = -35.4549579850513 | etot = -27.8669322992101 -620000 ekin = 3.94632769198393 | erot = 4.05357915876527 | epot = -35.5452298743849 | etot = -27.5453230236357 -621000 ekin = 4.00876452457071 | erot = 4.18557952361359 | epot = -35.6568787558286 | etot = -27.4625347076443 -622000 ekin = 3.97770547832547 | erot = 4.20428409244749 | epot = -35.7853832130651 | etot = -27.6033936422921 -623000 ekin = 3.87623409179537 | erot = 4.44200976918119 | epot = -35.9345595163542 | etot = -27.6163156553776 -624000 ekin = 3.81461749379546 | erot = 4.73413928443235 | epot = -36.0610458736418 | etot = -27.512289095414 -625000 ekin = 3.89702417514946 | erot = 4.5196799549034 | epot = -36.1593702506668 | etot = -27.7426661206139 -626000 ekin = 4.0528518195111 | erot = 5.12209714551147 | epot = -36.237370947802 | etot = -27.0624219827794 -627000 ekin = 4.06919694856893 | erot = 5.16853241383708 | epot = -36.2459696084307 | etot = -27.0082402460247 -628000 ekin = 3.97574634490031 | erot = 5.15377915037523 | epot = -36.1860007276678 | etot = -27.0564752323922 -629000 ekin = 3.97847076093763 | erot = 4.98743417354921 | epot = -36.084160296335 | etot = -27.1182553618481 -630000 ekin = 3.82117049554653 | erot = 4.72915936447952 | epot = -35.9627884752431 | etot = -27.4124586152171 -631000 ekin = 3.8646114143111 | erot = 4.86154549635015 | epot = -35.8061457051951 | etot = -27.0799887945339 -632000 ekin = 3.74664734149751 | erot = 4.54810894057716 | epot = -35.6214135997292 | etot = -27.3266573176545 -633000 ekin = 3.70561564688156 | erot = 3.84492477779505 | epot = -35.4366028892496 | etot = -27.886062464573 -634000 ekin = 3.59215409071566 | erot = 3.93871515972519 | epot = -35.2896538627894 | etot = -27.7587846123485 -635000 ekin = 3.50545587494281 | erot = 4.06717110382225 | epot = -35.1730596180138 | etot = -27.6004326392487 -636000 ekin = 3.33094541502758 | erot = 4.07821458070319 | epot = -35.1077038533339 | etot = -27.6985438576031 -637000 ekin = 3.1450521799885 | erot = 4.05756077132578 | epot = -35.1055524080602 | etot = -27.9029394567459 -638000 ekin = 3.09050584392124 | erot = 4.40258652090801 | epot = -35.1570633539873 | etot = -27.6639709891581 -639000 ekin = 3.07687333216972 | erot = 4.16491810908533 | epot = -35.2467836386701 | etot = -28.0049921974151 -640000 ekin = 3.00973730804964 | erot = 4.26924181333289 | epot = -35.3354522376063 | etot = -28.0564731162238 -641000 ekin = 2.94445196408731 | erot = 4.64391413205011 | epot = -35.4644644387943 | etot = -27.8760983426569 -642000 ekin = 2.98442414954527 | erot = 4.99747556124224 | epot = -35.629005703419 | etot = -27.6471059926314 -643000 ekin = 3.20556469531983 | erot = 4.80255317913171 | epot = -35.7795885297912 | etot = -27.7714706553396 -644000 ekin = 3.27488214023669 | erot = 4.64957731616528 | epot = -35.9161733239232 | etot = -27.9917138675212 -645000 ekin = 3.41323831994906 | erot = 4.71321420527498 | epot = -36.0213663956136 | etot = -27.8949138703896 -646000 ekin = 3.56963422518063 | erot = 4.46391006184168 | epot = -36.0597764611991 | etot = -28.0262321741768 -647000 ekin = 3.65146108953654 | erot = 4.34882885781815 | epot = -36.0539738525772 | etot = -28.0536839052225 -648000 ekin = 3.80589253043734 | erot = 4.22505125234539 | epot = -35.9957895068619 | etot = -27.9648457240791 -649000 ekin = 4.01844415748726 | erot = 4.19109412255692 | epot = -35.918006133173 | etot = -27.7084678531288 -650000 ekin = 4.03810277748455 | erot = 3.86362623058827 | epot = -35.8260490160414 | etot = -27.9243200079685 -651000 ekin = 4.1420394457061 | erot = 3.56888807374624 | epot = -35.7087423281368 | etot = -27.9978148086844 -652000 ekin = 4.23250261214613 | erot = 3.18710224409333 | epot = -35.6367851174003 | etot = -28.2171802611608 -653000 ekin = 4.36352642925903 | erot = 3.20148998565931 | epot = -35.6464209942524 | etot = -28.0814045793341 -654000 ekin = 4.52792032439863 | erot = 3.02237039454649 | epot = -35.6995719521279 | etot = -28.1492812331828 -655000 ekin = 4.60546960877418 | erot = 2.96007185178607 | epot = -35.8223013228776 | etot = -28.2567598623174 -656000 ekin = 4.78956137675958 | erot = 3.38896158834532 | epot = -35.9826527468522 | etot = -27.8041297817474 -657000 ekin = 4.78481247088143 | erot = 3.67040934516362 | epot = -36.1522101931014 | etot = -27.6969883770563 -658000 ekin = 4.68735602442142 | erot = 4.10635530609203 | epot = -36.3122539915035 | etot = -27.5185426609901 -659000 ekin = 4.79643464434846 | erot = 4.31091667955153 | epot = -36.4198222001284 | etot = -27.3124708762284 -660000 ekin = 4.65613606555458 | erot = 4.00182169137101 | epot = -36.5017357753368 | etot = -27.8437780184112 -661000 ekin = 4.53939481189358 | erot = 4.39327864100421 | epot = -36.552237956014 | etot = -27.6195645031162 -662000 ekin = 4.62075189021939 | erot = 4.64171304234462 | epot = -36.545875274844 | etot = -27.28341034228 -663000 ekin = 4.60627251324175 | erot = 4.44191382325611 | epot = -36.5358428119652 | etot = -27.4876564754673 -664000 ekin = 4.5322487745738 | erot = 4.69535654969877 | epot = -36.5440045788996 | etot = -27.3163992546271 -665000 ekin = 4.33791904760918 | erot = 4.79511074251709 | epot = -36.5712979957051 | etot = -27.4382682055788 -666000 ekin = 4.01034004769755 | erot = 5.144756302773 | epot = -36.6275167021822 | etot = -27.4724203517116 -667000 ekin = 3.92791037721526 | erot = 5.1180589475915 | epot = -36.7022697315157 | etot = -27.656300406709 -668000 ekin = 3.69207242860475 | erot = 4.95115852091633 | epot = -36.77482844315 | etot = -28.1315974936289 -669000 ekin = 3.52850414694741 | erot = 5.30513713121027 | epot = -36.8468924103787 | etot = -28.013251132221 -670000 ekin = 3.43685158392318 | erot = 5.67353767341462 | epot = -36.8571678878536 | etot = -27.7467786305158 -671000 ekin = 3.37237891900108 | erot = 4.81383151363229 | epot = -36.789877261468 | etot = -28.6036668288346 -672000 ekin = 3.42142864489494 | erot = 4.47410705082113 | epot = -36.6509805759882 | etot = -28.7554448802721 -673000 ekin = 3.47620696197669 | erot = 4.5346881275349 | epot = -36.4695914666357 | etot = -28.4586963771241 -674000 ekin = 3.34015467342445 | erot = 4.56003540036683 | epot = -36.2728042739957 | etot = -28.3726142002044 -675000 ekin = 3.26558121431912 | erot = 4.75716318196968 | epot = -36.081244882487 | etot = -28.0585004861982 -676000 ekin = 3.30557173090105 | erot = 4.66626180335483 | epot = -35.8858133485329 | etot = -27.9139798142771 -677000 ekin = 3.38252137148696 | erot = 4.68979222844271 | epot = -35.7238379181649 | etot = -27.6515243182352 -678000 ekin = 3.33430766992679 | erot = 4.45636421682296 | epot = -35.5898515746292 | etot = -27.7991796878794 -679000 ekin = 3.26716522041086 | erot = 4.1364314169021 | epot = -35.5282160560392 | etot = -28.1246194187263 -680000 ekin = 3.22330491222295 | erot = 4.11355311991395 | epot = -35.5522418172891 | etot = -28.2153837851522 -681000 ekin = 3.27654998707864 | erot = 4.40088508884101 | epot = -35.6343431031162 | etot = -27.9569080271965 -682000 ekin = 3.38403402083093 | erot = 4.64957783602951 | epot = -35.7255960652544 | etot = -27.6919842083939 -683000 ekin = 3.58392532059595 | erot = 4.15499488835509 | epot = -35.8541956283799 | etot = -28.1152754194289 -684000 ekin = 3.63284008875844 | erot = 4.14497212696412 | epot = -36.0448350473468 | etot = -28.2670228316243 -685000 ekin = 3.75538152185827 | erot = 3.95609692494467 | epot = -36.2462524041805 | etot = -28.5347739573775 -686000 ekin = 3.91883145536903 | erot = 3.95298902028762 | epot = -36.4771155861876 | etot = -28.605295110531 -687000 ekin = 4.05299881159346 | erot = 4.06027810523509 | epot = -36.7169526369106 | etot = -28.6036757200821 -688000 ekin = 4.13599667613487 | erot = 4.10331489254492 | epot = -36.9524101670374 | etot = -28.7130985983576 -689000 ekin = 4.25987754434331 | erot = 4.14481492316617 | epot = -37.1900775910787 | etot = -28.7853851235692 -690000 ekin = 4.43074027682691 | erot = 4.04380513304471 | epot = -37.3931354089472 | etot = -28.9185899990756 -691000 ekin = 4.53821721573907 | erot = 3.8050334589901 | epot = -37.5576014163145 | etot = -29.2143507415853 -692000 ekin = 4.64150042779563 | erot = 3.59872997928139 | epot = -37.6895260553266 | etot = -29.4492956482496 -693000 ekin = 4.69075885893268 | erot = 3.47578918601684 | epot = -37.8114874122412 | etot = -29.6449393672917 -694000 ekin = 4.7382251866288 | erot = 3.84263750148522 | epot = -37.9027003996521 | etot = -29.3218377115381 -695000 ekin = 4.75494194628237 | erot = 3.78113333862439 | epot = -37.9681336831645 | etot = -29.4320583982578 -696000 ekin = 4.697866081995 | erot = 3.78526821175916 | epot = -38.0084908312995 | etot = -29.5253565375453 -697000 ekin = 4.69854328160722 | erot = 3.62432955932709 | epot = -38.0258612384494 | etot = -29.7029883975151 -698000 ekin = 4.71023285873083 | erot = 3.64111389234168 | epot = -38.0301547340748 | etot = -29.6788079830023 -699000 ekin = 4.56773244344101 | erot = 3.71983710702471 | epot = -38.0529467082179 | etot = -29.7653771577522 -700000 ekin = 4.43155866208815 | erot = 3.5335546196022 | epot = -38.068583492112 | etot = -30.1034702104217 -701000 ekin = 4.47548631411863 | erot = 3.38963138436185 | epot = -38.0500116139802 | etot = -30.1848939154997 -702000 ekin = 4.46550513017092 | erot = 3.66852889097233 | epot = -38.0164512923389 | etot = -29.8824172711957 -703000 ekin = 4.38742906998922 | erot = 3.97599599383663 | epot = -37.9817705180933 | etot = -29.6183454542675 -704000 ekin = 4.41020682713785 | erot = 3.83147838533244 | epot = -37.9674346241353 | etot = -29.725749411665 -705000 ekin = 4.39308990786526 | erot = 3.75664217186731 | epot = -37.9282520396859 | etot = -29.7785199599533 -706000 ekin = 4.43040906703226 | erot = 4.12756254176834 | epot = -37.8939279543814 | etot = -29.3359563455808 -707000 ekin = 4.51700671633719 | erot = 3.77573523129425 | epot = -37.8444471024425 | etot = -29.5517051548111 -708000 ekin = 4.49065124304644 | erot = 3.88552877103945 | epot = -37.7744800646496 | etot = -29.3983000505637 -709000 ekin = 4.41855498291582 | erot = 3.53582586052254 | epot = -37.6656825257606 | etot = -29.7113016823223 -710000 ekin = 4.40535258977441 | erot = 3.39649502688896 | epot = -37.546693994465 | etot = -29.7448463778016 -711000 ekin = 4.32709544005412 | erot = 3.54995473847997 | epot = -37.3866324258477 | etot = -29.5095822473136 -712000 ekin = 4.40620309391045 | erot = 3.7155744253842 | epot = -37.1793914331046 | etot = -29.05761391381 -713000 ekin = 4.39226105260381 | erot = 3.64956114520254 | epot = -36.9592491146155 | etot = -28.9174269168092 -714000 ekin = 4.3945904765123 | erot = 3.58799428596503 | epot = -36.7844109062829 | etot = -28.8018261438055 -715000 ekin = 4.41458674942753 | erot = 4.01850565037344 | epot = -36.5924446920391 | etot = -28.1593522922382 -716000 ekin = 4.33665938530876 | erot = 3.50452219695681 | epot = -36.4143425377369 | etot = -28.5731609554713 -717000 ekin = 4.18088462864216 | erot = 3.21190204009032 | epot = -36.2481677379304 | etot = -28.8553810691979 -718000 ekin = 4.03231025467992 | erot = 2.91104295996765 | epot = -36.1402693367145 | etot = -29.196916122067 -719000 ekin = 3.97260579411936 | erot = 3.29783620298701 | epot = -36.0849771003507 | etot = -28.8145351032443 -720000 ekin = 3.82567789821418 | erot = 3.46218504309359 | epot = -36.1068353452668 | etot = -28.818972403959 -721000 ekin = 3.83433718059127 | erot = 4.03084036947922 | epot = -36.1868958046435 | etot = -28.321718254573 -722000 ekin = 3.7130087276568 | erot = 3.84736896155859 | epot = -36.2838656104841 | etot = -28.7234879212687 -723000 ekin = 3.74703466957696 | erot = 3.71040850656983 | epot = -36.3812410760553 | etot = -28.9237978999085 -724000 ekin = 3.75607081603443 | erot = 4.02813532874788 | epot = -36.4992818358981 | etot = -28.7150756911158 -725000 ekin = 3.77808990085885 | erot = 4.20966764087265 | epot = -36.6263500488386 | etot = -28.6385925071071 -726000 ekin = 3.99703012102755 | erot = 3.67945861038478 | epot = -36.7651398392487 | etot = -29.0886511078363 -727000 ekin = 4.01741049095273 | erot = 3.72684228835856 | epot = -36.8887239674894 | etot = -29.1444711881781 -728000 ekin = 4.05655244457389 | erot = 3.64411335656528 | epot = -36.9831032192825 | etot = -29.2824374181433 -729000 ekin = 4.15914112670555 | erot = 3.22368867517415 | epot = -37.0758214193937 | etot = -29.692991617514 -730000 ekin = 4.27496625989352 | erot = 3.03434396509935 | epot = -37.1060663359384 | etot = -29.7967561109456 -731000 ekin = 4.35621946146742 | erot = 3.31453862248463 | epot = -37.0811379025023 | etot = -29.4103798185503 -732000 ekin = 4.31460322853858 | erot = 3.19560214587386 | epot = -37.0358028654693 | etot = -29.5255974910568 -733000 ekin = 4.2295226795695 | erot = 3.20037871937962 | epot = -36.9673423522061 | etot = -29.537440953257 -734000 ekin = 4.24709820971147 | erot = 3.10598269123683 | epot = -36.8800091287772 | etot = -29.5269282278289 -735000 ekin = 4.14981162925897 | erot = 3.12549638567468 | epot = -36.7838119752116 | etot = -29.508503960278 -736000 ekin = 4.20814181481824 | erot = 2.91522500178861 | epot = -36.7063833852233 | etot = -29.5830165686164 -737000 ekin = 4.01828120268193 | erot = 2.40495812578651 | epot = -36.6589611248533 | etot = -30.2357217963848 -738000 ekin = 4.01094036028549 | erot = 2.68632566149055 | epot = -36.6548343802808 | etot = -29.9575683585048 -739000 ekin = 4.14661584174142 | erot = 2.59506078530577 | epot = -36.6780631105738 | etot = -29.9363864835266 -740000 ekin = 4.08413039710925 | erot = 2.57365823993747 | epot = -36.7021237291546 | etot = -30.0443350921079 -741000 ekin = 4.10845660619181 | erot = 2.78416335535206 | epot = -36.7754492326706 | etot = -29.8828292711267 -742000 ekin = 4.09068760907163 | erot = 3.09866824560576 | epot = -36.8187451874485 | etot = -29.6293893327711 -743000 ekin = 3.96610963094402 | erot = 3.04878673776408 | epot = -36.8535622197241 | etot = -29.838665851016 -744000 ekin = 3.97087885402719 | erot = 3.04950786237685 | epot = -36.8512621314634 | etot = -29.8308754150594 -745000 ekin = 3.78295099566376 | erot = 3.09154774657146 | epot = -36.8410165021252 | etot = -29.96651775989 -746000 ekin = 3.88442560568396 | erot = 3.15773579416763 | epot = -36.8645704531019 | etot = -29.8224090532503 -747000 ekin = 3.94794600572092 | erot = 3.04363515896551 | epot = -36.9228275975776 | etot = -29.9312464328912 -748000 ekin = 3.94186404778235 | erot = 3.24130800398347 | epot = -37.0438118681966 | etot = -29.8606398164308 -749000 ekin = 3.93262026571516 | erot = 3.71710044171151 | epot = -37.210963278996 | etot = -29.5612425715694 -750000 ekin = 3.82713052636346 | erot = 4.02486049381691 | epot = -37.385471620714 | etot = -29.5334806005336 -751000 ekin = 4.02336237199802 | erot = 4.23099342037285 | epot = -37.5518597142007 | etot = -29.2975039218298 -752000 ekin = 4.06152925020837 | erot = 3.76231639564619 | epot = -37.6809132611595 | etot = -29.8570676153049 -753000 ekin = 4.07859449790949 | erot = 3.97018598947847 | epot = -37.7593004103674 | etot = -29.7105199229794 -754000 ekin = 4.26771269586214 | erot = 4.64006960442373 | epot = -37.8141557249888 | etot = -28.9063734247029 -755000 ekin = 4.26666906965093 | erot = 4.77784474773889 | epot = -37.8576299963078 | etot = -28.8131161789179 -756000 ekin = 4.2913114700946 | erot = 5.38525988164132 | epot = -37.8917845570772 | etot = -28.2152132053412 -757000 ekin = 4.35562563894453 | erot = 5.14819699923274 | epot = -37.8935376948375 | etot = -28.3897150566602 -758000 ekin = 4.22616249374932 | erot = 5.19713356473755 | epot = -37.890171313439 | etot = -28.4668752549521 -759000 ekin = 4.24184449956944 | erot = 5.16496183591484 | epot = -37.8881235068873 | etot = -28.481317171403 -760000 ekin = 4.23424644958301 | erot = 5.47628298706072 | epot = -37.9000330984149 | etot = -28.1895036617712 -761000 ekin = 4.26448749341469 | erot = 5.45907771030503 | epot = -37.9055730645743 | etot = -28.1820078608546 -762000 ekin = 4.22061932798692 | erot = 5.04369074313446 | epot = -37.9108772679031 | etot = -28.6465671967817 -763000 ekin = 4.09989014592102 | erot = 5.10778066514902 | epot = -37.9045250455542 | etot = -28.6968542344841 -764000 ekin = 4.18374834614763 | erot = 5.46818179899514 | epot = -37.8676566747109 | etot = -28.2157265295681 -765000 ekin = 4.08761418374972 | erot = 5.8085838804908 | epot = -37.8033181876409 | etot = -27.9071201234004 -766000 ekin = 4.0399954168056 | erot = 5.48136006660783 | epot = -37.7411893537017 | etot = -28.2198338702883 -767000 ekin = 4.01701285460552 | erot = 5.31665044278829 | epot = -37.6438611160235 | etot = -28.3101978186297 -768000 ekin = 3.97951625206149 | erot = 5.25792422549898 | epot = -37.5214426737382 | etot = -28.2840021961778 -769000 ekin = 3.9904400552595 | erot = 5.21175341266091 | epot = -37.3810973556055 | etot = -28.1789038876851 -770000 ekin = 3.99199742512277 | erot = 5.21810902470249 | epot = -37.1986211065242 | etot = -27.9885146566989 -771000 ekin = 3.82567851870305 | erot = 4.95130845103932 | epot = -36.9906650314374 | etot = -28.213678061695 -772000 ekin = 3.72123202682396 | erot = 4.74084322348116 | epot = -36.7445513213713 | etot = -28.2824760710662 -773000 ekin = 3.61186619870637 | erot = 4.48764169415196 | epot = -36.4404296879 | etot = -28.3409217950417 -774000 ekin = 3.5323856332149 | erot = 4.0851560641829 | epot = -36.1430482929722 | etot = -28.5255065955744 -775000 ekin = 3.61960121968643 | erot = 4.03007080844262 | epot = -35.8636424209038 | etot = -28.2139703927748 -776000 ekin = 3.50131397859944 | erot = 3.82783005287474 | epot = -35.5938202085534 | etot = -28.2646761770792 -777000 ekin = 3.4086720204846 | erot = 3.85221546935551 | epot = -35.4006619567329 | etot = -28.1397744668928 -778000 ekin = 3.45838031028943 | erot = 3.51853820068418 | epot = -35.2979750992092 | etot = -28.3210565882356 -779000 ekin = 3.42307480042057 | erot = 3.59321040457246 | epot = -35.2809430031764 | etot = -28.2646577981833 -780000 ekin = 3.42440692402825 | erot = 3.60521054559613 | epot = -35.3411249792481 | etot = -28.3115075096237 -781000 ekin = 3.46934151467246 | erot = 3.84731508491177 | epot = -35.4518670976751 | etot = -28.1352104980909 -782000 ekin = 3.5271040668097 | erot = 4.28376670942143 | epot = -35.595026056589 | etot = -27.7841552803579 -783000 ekin = 3.61729821661169 | erot = 4.75537078140916 | epot = -35.7562125383807 | etot = -27.3835435403599 -784000 ekin = 3.5836655359854 | erot = 4.1138012313496 | epot = -35.8708728516423 | etot = -28.1734060843073 -785000 ekin = 3.63226984987313 | erot = 4.14613629449608 | epot = -35.9549809353083 | etot = -28.1765747909391 -786000 ekin = 3.55353155352361 | erot = 3.96170523540214 | epot = -36.0104316125812 | etot = -28.4951948236555 -787000 ekin = 3.65679390509628 | erot = 4.13482060006033 | epot = -36.0644977241106 | etot = -28.272883218954 -788000 ekin = 3.86757699285448 | erot = 4.10779053552829 | epot = -36.0997261456416 | etot = -28.1243586172588 -789000 ekin = 3.93645468275084 | erot = 4.27766163431728 | epot = -36.1406694170053 | etot = -27.9265530999371 -790000 ekin = 3.99051031327637 | erot = 3.95340487784933 | epot = -36.2018617372706 | etot = -28.257946546145 -791000 ekin = 4.10452718423621 | erot = 3.99235351847229 | epot = -36.2624115283487 | etot = -28.1655308256402 -792000 ekin = 4.33302884516885 | erot = 3.8304429162738 | epot = -36.335701261074 | etot = -28.1722294996313 -793000 ekin = 4.59966330091451 | erot = 3.74212535974463 | epot = -36.4314410279318 | etot = -28.0896523672727 -794000 ekin = 4.70509453522008 | erot = 3.7325457155236 | epot = -36.5039677226926 | etot = -28.0663274719489 -795000 ekin = 4.8237350135353 | erot = 3.69936645898633 | epot = -36.5467302591204 | etot = -28.0236287865987 -796000 ekin = 5.02825099690258 | erot = 3.65845895224835 | epot = -36.5441938749373 | etot = -27.8574839257863 -797000 ekin = 4.98369350470464 | erot = 3.33483563015714 | epot = -36.5302539300605 | etot = -28.2117247951988 -798000 ekin = 5.04627515833455 | erot = 3.251844315584 | epot = -36.5269098314607 | etot = -28.2287903575422 -799000 ekin = 4.96165968599494 | erot = 3.39539196017299 | epot = -36.5580084896278 | etot = -28.2009568434598 -800000 ekin = 4.96087289523802 | erot = 3.54932033291718 | epot = -36.6052154994154 | etot = -28.0950222712602 -801000 ekin = 4.96148873220024 | erot = 3.39995120227887 | epot = -36.6619752973816 | etot = -28.3005353629025 -802000 ekin = 4.86744715226323 | erot = 3.35338258088299 | epot = -36.6942224647938 | etot = -28.4733927316476 -803000 ekin = 4.75056128639553 | erot = 3.25410486957708 | epot = -36.7045390401517 | etot = -28.6998728841791 -804000 ekin = 4.78109129200108 | erot = 3.0776597288298 | epot = -36.698526519421 | etot = -28.8397754985901 -805000 ekin = 4.82892493818665 | erot = 3.27499533781798 | epot = -36.6737874267413 | etot = -28.5698671507367 -806000 ekin = 4.74542372520114 | erot = 3.18323237798552 | epot = -36.6406513076392 | etot = -28.7119952044525 -807000 ekin = 4.64766139287985 | erot = 3.38424960796022 | epot = -36.6476730883982 | etot = -28.6157620875581 -808000 ekin = 4.45707835864346 | erot = 3.35175675914227 | epot = -36.7022500935515 | etot = -28.8934149757658 -809000 ekin = 4.32670887591497 | erot = 3.3204635551547 | epot = -36.7741824114222 | etot = -29.1270099803525 -810000 ekin = 4.19642960492062 | erot = 3.20396083815671 | epot = -36.8832195227742 | etot = -29.4828290796969 -811000 ekin = 4.18603442116872 | erot = 3.54097838794675 | epot = -37.0402774324897 | etot = -29.3132646233742 -812000 ekin = 4.3319099162396 | erot = 3.67977508148913 | epot = -37.2334955671967 | etot = -29.221810569468 -813000 ekin = 4.46701990899706 | erot = 3.84749046887719 | epot = -37.4770063129616 | etot = -29.1624959350873 -814000 ekin = 4.70593563863212 | erot = 4.02074050200669 | epot = -37.7739765579907 | etot = -29.0473004173519 -815000 ekin = 4.61635561952459 | erot = 4.30893882425418 | epot = -38.0622407069025 | etot = -29.1369462631237 -816000 ekin = 4.66419241223221 | erot = 4.43348416466983 | epot = -38.3533945439932 | etot = -29.2557179670912 -817000 ekin = 4.61492034782011 | erot = 4.8589683614048 | epot = -38.6054729848476 | etot = -29.1315842756226 -818000 ekin = 4.69361355558547 | erot = 4.57560992803662 | epot = -38.8141140205618 | etot = -29.5448905369397 -819000 ekin = 4.99561997491401 | erot = 4.59057590873866 | epot = -38.986131465386 | etot = -29.3999355817333 -820000 ekin = 5.14251771001076 | erot = 4.38257454602465 | epot = -39.1119793527868 | etot = -29.5868870967514 -821000 ekin = 5.21211790510897 | erot = 3.7649363964534 | epot = -39.1791873910089 | etot = -30.2021330894465 -822000 ekin = 5.2276374734314 | erot = 3.8199393472184 | epot = -39.2257832500633 | etot = -30.1782064294135 -823000 ekin = 5.20824824630017 | erot = 3.61818509207455 | epot = -39.2577442235125 | etot = -30.4313108851377 -824000 ekin = 5.29481176258827 | erot = 3.61607107182776 | epot = -39.2930045776047 | etot = -30.3821217431886 -825000 ekin = 5.34590564278664 | erot = 3.4760580167516 | epot = -39.3020776711423 | etot = -30.4801140116041 -826000 ekin = 5.38005087585455 | erot = 3.56002985231027 | epot = -39.2878928900547 | etot = -30.3478121618899 -827000 ekin = 5.38251681844102 | erot = 3.31581026558379 | epot = -39.283897328375 | etot = -30.5855702443502 -828000 ekin = 5.30162295798549 | erot = 2.79999506814083 | epot = -39.2990437954937 | etot = -31.1974257693674 -829000 ekin = 5.34935471298301 | erot = 2.6338075385136 | epot = -39.3079384502704 | etot = -31.3247761987738 -830000 ekin = 5.15642397228145 | erot = 2.78944963382923 | epot = -39.3294203636002 | etot = -31.3835467574896 -831000 ekin = 5.04271329110473 | erot = 3.07984504895606 | epot = -39.3562191308944 | etot = -31.2336607908336 -832000 ekin = 5.04415123872855 | erot = 3.36917057661115 | epot = -39.3458026730645 | etot = -30.9324808577248 -833000 ekin = 4.97652700754261 | erot = 3.11016826810616 | epot = -39.3003589046717 | etot = -31.2136636290229 -834000 ekin = 4.66785324148471 | erot = 2.98799062968103 | epot = -39.2007615011679 | etot = -31.5449176300022 -835000 ekin = 4.4196794841071 | erot = 3.24754240638097 | epot = -39.0370935965117 | etot = -31.3698717060237 -836000 ekin = 4.1939950117267 | erot = 3.40709899396284 | epot = -38.8824429433984 | etot = -31.2813489377089 -837000 ekin = 4.05102708476636 | erot = 3.50403284169154 | epot = -38.7291298465769 | etot = -31.174069920119 -838000 ekin = 3.94991363719784 | erot = 3.82377156946596 | epot = -38.5557937558062 | etot = -30.7821085491424 -839000 ekin = 3.74326665318806 | erot = 3.97324655976055 | epot = -38.364381604374 | etot = -30.6478683914254 -840000 ekin = 3.7035157452831 | erot = 3.5124488621716 | epot = -38.1559200259235 | etot = -30.9399554184688 -841000 ekin = 3.60547887438446 | erot = 3.69151206404978 | epot = -37.9552189953856 | etot = -30.6582280569514 -842000 ekin = 3.38591284746056 | erot = 3.48115901302566 | epot = -37.7647482919521 | etot = -30.8976764314659 -843000 ekin = 3.11807787995921 | erot = 3.24962582172021 | epot = -37.5931200484574 | etot = -31.225416346778 -844000 ekin = 3.03125896851729 | erot = 3.10915311466668 | epot = -37.4053554848136 | etot = -31.2649434016296 -845000 ekin = 2.84759324027404 | erot = 3.53115382226703 | epot = -37.2260086331777 | etot = -30.8472615706367 -846000 ekin = 2.83613069836942 | erot = 3.41497522988127 | epot = -37.085320604792 | etot = -30.8342146765413 -847000 ekin = 2.82518542790909 | erot = 3.92646137605455 | epot = -36.9740965925522 | etot = -30.2224497885886 -848000 ekin = 2.8035610196741 | erot = 3.75897131812056 | epot = -36.8749675315763 | etot = -30.3124351937817 -849000 ekin = 2.84159199816875 | erot = 3.65493979263097 | epot = -36.7798908055852 | etot = -30.2833590147855 -850000 ekin = 2.91517374365839 | erot = 3.25543936029153 | epot = -36.7388454898332 | etot = -30.5682323858832 -851000 ekin = 3.08764953673805 | erot = 3.74455145978084 | epot = -36.722364218189 | etot = -29.8901632216702 -852000 ekin = 3.20356705871957 | erot = 3.86422941824788 | epot = -36.7413165099185 | etot = -29.6735200329511 -853000 ekin = 3.25796036952423 | erot = 4.25509323905633 | epot = -36.7658517979734 | etot = -29.2527981893928 -854000 ekin = 3.57244822927295 | erot = 4.1896974412388 | epot = -36.8021340521276 | etot = -29.0399883816159 -855000 ekin = 3.61706783412956 | erot = 4.16292249791868 | epot = -36.8626923862697 | etot = -29.0827020542215 -856000 ekin = 3.78538239756072 | erot = 4.11253551603666 | epot = -36.9244661414333 | etot = -29.0265482278359 -857000 ekin = 3.7817884765619 | erot = 4.13628071929874 | epot = -37.0292483027729 | etot = -29.1111791069122 -858000 ekin = 3.79767899411331 | erot = 4.25390024597203 | epot = -37.1883443366328 | etot = -29.1367650965475 -859000 ekin = 3.79646558910377 | erot = 4.39490149089977 | epot = -37.3423128301967 | etot = -29.1509457501932 -860000 ekin = 3.86711139340926 | erot = 4.91957560544857 | epot = -37.4915022932785 | etot = -28.7048152944207 -861000 ekin = 3.99177075241504 | erot = 4.92589410247942 | epot = -37.5868681074784 | etot = -28.6692032525839 -862000 ekin = 4.0977748877086 | erot = 4.85487231115065 | epot = -37.6175250863704 | etot = -28.6648778875111 -863000 ekin = 4.13925231113692 | erot = 4.50896117392355 | epot = -37.5986086016775 | etot = -28.950395116617 -864000 ekin = 4.14764866587724 | erot = 4.42487018235684 | epot = -37.5204132439163 | etot = -28.9478943956823 -865000 ekin = 4.14664914911426 | erot = 4.25648196395736 | epot = -37.3939280409738 | etot = -28.9907969279022 -866000 ekin = 4.14214320133934 | erot = 4.18089045470177 | epot = -37.217946082973 | etot = -28.8949124269318 -867000 ekin = 4.2533355578306 | erot = 3.91180056252889 | epot = -37.0368358637666 | etot = -28.8716997434071 -868000 ekin = 4.25544635673827 | erot = 4.03934502097174 | epot = -36.892523740773 | etot = -28.597732363063 -869000 ekin = 4.24112681076909 | erot = 4.01454747654454 | epot = -36.8084367274645 | etot = -28.5527624401508 -870000 ekin = 4.33478513328131 | erot = 3.78349131069572 | epot = -36.7681636745504 | etot = -28.6498872305733 -871000 ekin = 4.17502061004023 | erot = 3.95421063049773 | epot = -36.7899780247081 | etot = -28.6607467841701 -872000 ekin = 4.17603847735526 | erot = 3.83768938083062 | epot = -36.8688005631066 | etot = -28.8550727049207 -873000 ekin = 4.41693719639203 | erot = 4.07505566261082 | epot = -36.9767379853334 | etot = -28.4847451263305 -874000 ekin = 4.41295334009184 | erot = 4.18394759912804 | epot = -37.1369142438381 | etot = -28.5400133046182 -875000 ekin = 4.52955334955961 | erot = 4.19580464694757 | epot = -37.3370998777392 | etot = -28.611741881232 -876000 ekin = 4.61247068682171 | erot = 4.50897081856651 | epot = -37.5248349335733 | etot = -28.4033934281851 -877000 ekin = 4.76533246609024 | erot = 4.08201826718837 | epot = -37.6873606048119 | etot = -28.8400098715333 -878000 ekin = 4.8610970109619 | erot = 4.033155729642 | epot = -37.8092910984767 | etot = -28.9150383578728 -879000 ekin = 4.93322526419523 | erot = 3.94479688455364 | epot = -37.8433128250758 | etot = -28.965290676327 -880000 ekin = 4.91177719282767 | erot = 3.90966953329197 | epot = -37.7988935874806 | etot = -28.9774468613609 -881000 ekin = 4.87595051611486 | erot = 3.76638474532604 | epot = -37.6791282073033 | etot = -29.0367929458624 -882000 ekin = 4.80398792776863 | erot = 3.52725045146498 | epot = -37.4958553191656 | etot = -29.164616939932 -883000 ekin = 4.56372183806134 | erot = 3.17268134770781 | epot = -37.3026048485108 | etot = -29.5662016627417 -884000 ekin = 4.38408070690848 | erot = 2.95287988074379 | epot = -37.1164899885588 | etot = -29.7795294009065 -885000 ekin = 4.2140126763182 | erot = 3.28627816383894 | epot = -36.942394624606 | etot = -29.4421037844489 -886000 ekin = 3.94208450896381 | erot = 3.61827008671528 | epot = -36.8244889717495 | etot = -29.2641343760704 -887000 ekin = 3.76025689669878 | erot = 3.89282193563174 | epot = -36.7542446517018 | etot = -29.1011658193713 -888000 ekin = 3.58518173626509 | erot = 4.10918051627072 | epot = -36.7235080282654 | etot = -29.0291457757296 -889000 ekin = 3.52227905599303 | erot = 4.53948895643315 | epot = -36.7423345916829 | etot = -28.6805665792567 -890000 ekin = 3.48725850687851 | erot = 4.9165184567076 | epot = -36.8110749451072 | etot = -28.4072979815211 -891000 ekin = 3.51807183016932 | erot = 5.36785996032727 | epot = -36.9187079043847 | etot = -28.0327761138882 -892000 ekin = 3.486514414829 | erot = 5.25687644163098 | epot = -37.0005216584193 | etot = -28.2571308019593 -893000 ekin = 3.51467838155448 | erot = 5.65149044087548 | epot = -37.0594453420589 | etot = -27.8932765196289 -894000 ekin = 3.45974654612958 | erot = 5.22169711042558 | epot = -37.102064267985 | etot = -28.4206206114299 -895000 ekin = 3.57216437063937 | erot = 5.40895067977451 | epot = -37.1028729086238 | etot = -28.1217578582099 -896000 ekin = 3.56655921068659 | erot = 5.69090228219611 | epot = -37.0708217415226 | etot = -27.8133602486399 -897000 ekin = 3.57757547803441 | erot = 5.90228049359103 | epot = -36.985951453297 | etot = -27.5060954816716 -898000 ekin = 3.52295514054554 | erot = 5.8453836024045 | epot = -36.8484715408739 | etot = -27.4801327979239 -899000 ekin = 3.42191869064122 | erot = 5.47174915922149 | epot = -36.6856616378138 | etot = -27.7919937879511 -900000 ekin = 3.45720121517251 | erot = 5.5997377251197 | epot = -36.5148133918243 | etot = -27.4578744515321 -901000 ekin = 3.51607619901873 | erot = 5.88763510779633 | epot = -36.2859464010554 | etot = -26.8822350942404 -902000 ekin = 3.56087621117599 | erot = 5.17399063106631 | epot = -36.0621785767821 | etot = -27.3273117345398 -903000 ekin = 3.56470936099584 | erot = 5.07361698005476 | epot = -35.8794588183591 | etot = -27.2411324773085 -904000 ekin = 3.64294879518974 | erot = 5.28022715353087 | epot = -35.7543216612797 | etot = -26.8311457125591 -905000 ekin = 3.72447152602649 | erot = 5.02657007424407 | epot = -35.658280490972 | etot = -26.9072388907014 -906000 ekin = 3.7591413367746 | erot = 4.63070748715657 | epot = -35.6129995043961 | etot = -27.2231506804649 -907000 ekin = 4.00046169414905 | erot = 4.63743176602948 | epot = -35.6087015116484 | etot = -26.9708080514698 -908000 ekin = 3.98050966425778 | erot = 4.23795607914778 | epot = -35.6020003534093 | etot = -27.3835346100038 -909000 ekin = 4.14488755713113 | erot = 3.77771446920632 | epot = -35.5819012555779 | etot = -27.6592992292404 -910000 ekin = 4.18878899263847 | erot = 3.85878998652442 | epot = -35.5853308204837 | etot = -27.5377518413208 -911000 ekin = 4.15448454865027 | erot = 3.93063753948133 | epot = -35.6075046071671 | etot = -27.5223825190355 -912000 ekin = 4.30922033403085 | erot = 4.53644215925813 | epot = -35.6368602869792 | etot = -26.7911977936902 -913000 ekin = 4.42050627097881 | erot = 4.36559538893036 | epot = -35.6635505470016 | etot = -26.8774488870924 -914000 ekin = 4.640384167071 | erot = 4.57708989772434 | epot = -35.6621612967503 | etot = -26.4446872319549 -915000 ekin = 4.71121950508134 | erot = 4.34018648406978 | epot = -35.6015140360078 | etot = -26.5501080468567 -916000 ekin = 4.67735943326423 | erot = 4.0723772918907 | epot = -35.4903050476411 | etot = -26.7405683224862 -917000 ekin = 4.78142703706188 | erot = 4.20198791892984 | epot = -35.3917685265255 | etot = -26.4083535705337 -918000 ekin = 4.77421198697552 | erot = 4.42971373988936 | epot = -35.2582637676415 | etot = -26.0543380407766 -919000 ekin = 4.73422216253545 | erot = 4.77044814340035 | epot = -35.0931913565727 | etot = -25.5885210506369 -920000 ekin = 4.64583700130455 | erot = 4.69774436792038 | epot = -34.9395895324828 | etot = -25.5960081632579 -921000 ekin = 4.61516328270518 | erot = 4.43350879426847 | epot = -34.8128426462836 | etot = -25.7641705693099 -922000 ekin = 4.55621337364702 | erot = 4.21768777753359 | epot = -34.7312720351653 | etot = -25.9573708839847 -923000 ekin = 4.59034826680647 | erot = 4.50920703076125 | epot = -34.7044992141191 | etot = -25.6049439165514 -924000 ekin = 4.58356240196665 | erot = 4.62074320796166 | epot = -34.7126986327387 | etot = -25.5083930228104 -925000 ekin = 4.53220072801023 | erot = 4.79254817721209 | epot = -34.7588998026814 | etot = -25.4341508974591 -926000 ekin = 4.55832715206815 | erot = 5.00471911281168 | epot = -34.8080246038137 | etot = -25.2449783389339 -927000 ekin = 4.62575171089295 | erot = 4.71181044830442 | epot = -34.8667293476304 | etot = -25.529167188433 -928000 ekin = 4.68657375207003 | erot = 4.76234601746771 | epot = -34.915949836791 | etot = -25.4670300672533 -929000 ekin = 4.7061028915664 | erot = 5.07097104655604 | epot = -34.9791697926744 | etot = -25.202095854552 -930000 ekin = 4.79474071813729 | erot = 5.21915381885274 | epot = -35.0589708185177 | etot = -25.0450762815277 -931000 ekin = 4.69039359230418 | erot = 5.48593447848777 | epot = -35.1099047138343 | etot = -24.9335766430423 -932000 ekin = 4.71110094603637 | erot = 5.47204685356053 | epot = -35.1612846037812 | etot = -24.9781368041843 -933000 ekin = 4.7636965267817 | erot = 5.41370570081805 | epot = -35.2317575147297 | etot = -25.05435528713 -934000 ekin = 4.8364389439216 | erot = 5.2350863141415 | epot = -35.3109086743972 | etot = -25.2393834163341 -935000 ekin = 4.76586014730834 | erot = 5.228655408338 | epot = -35.3670038676022 | etot = -25.3724883119559 -936000 ekin = 4.7459923218976 | erot = 5.40903849081579 | epot = -35.4141584031058 | etot = -25.2591275903924 -937000 ekin = 4.7066536683933 | erot = 5.90535300927756 | epot = -35.4573569432673 | etot = -24.8453502655964 -938000 ekin = 4.73520980049429 | erot = 5.48994015212968 | epot = -35.4717259493542 | etot = -25.2465759967302 -939000 ekin = 4.66471904112943 | erot = 5.58667162801301 | epot = -35.4363389851247 | etot = -25.1849483159823 -940000 ekin = 4.73670308439586 | erot = 5.59502045341196 | epot = -35.3410735898338 | etot = -25.0093500520259 -941000 ekin = 4.56546752366747 | erot = 5.16939612930364 | epot = -35.2196425314888 | etot = -25.4847788785177 -942000 ekin = 4.36600564083038 | erot = 4.55609433699296 | epot = -35.0782455188793 | etot = -26.156145541056 -943000 ekin = 4.27680501591152 | erot = 4.77186490926151 | epot = -34.9346146494734 | etot = -25.8859447243004 -944000 ekin = 4.17576408255027 | erot = 4.64476704064174 | epot = -34.7936442239037 | etot = -25.9731131007117 -945000 ekin = 4.08165692512656 | erot = 4.64307958397957 | epot = -34.7241648822034 | etot = -25.9994283730973 -946000 ekin = 3.9823833768563 | erot = 4.33903183997624 | epot = -34.720898188062 | etot = -26.3994829712295 -947000 ekin = 4.11312487406737 | erot = 4.25698162025429 | epot = -34.8023164533845 | etot = -26.4322099590628 -948000 ekin = 4.03905965505087 | erot = 4.28038925265714 | epot = -34.928198667426 | etot = -26.608749759718 -949000 ekin = 4.12081251669323 | erot = 4.40083354096753 | epot = -35.1348098866843 | etot = -26.6131638290236 -950000 ekin = 4.19947300195308 | erot = 4.46892156641812 | epot = -35.3299547862415 | etot = -26.6615602178703 -951000 ekin = 4.28802819219167 | erot = 4.3680742443603 | epot = -35.5595339264167 | etot = -26.9034314898647 -952000 ekin = 4.44618066979822 | erot = 4.88998578447886 | epot = -35.776264591199 | etot = -26.4400981369219 -953000 ekin = 4.53022835549443 | erot = 4.90684636989333 | epot = -35.9402525430781 | etot = -26.5031778176903 -954000 ekin = 4.65793433636178 | erot = 4.95789701943152 | epot = -36.1007223995856 | etot = -26.4848910437923 -955000 ekin = 4.68472849923193 | erot = 4.84778271057121 | epot = -36.2250094081872 | etot = -26.692498198384 -956000 ekin = 4.83489144923702 | erot = 4.61252423076074 | epot = -36.2912267944626 | etot = -26.8438111144649 -957000 ekin = 4.83158754758543 | erot = 4.06427874835662 | epot = -36.3314048744461 | etot = -27.4355385785041 -958000 ekin = 4.95872508890491 | erot = 3.86764289322934 | epot = -36.3554965538449 | etot = -27.5291285717106 -959000 ekin = 4.88220034385557 | erot = 3.76501141985199 | epot = -36.3703754351835 | etot = -27.7231636714759 -960000 ekin = 4.96739750076083 | erot = 3.70143986321351 | epot = -36.3537104260526 | etot = -27.6848730620782 -961000 ekin = 5.05073619223015 | erot = 3.58723306284219 | epot = -36.3292284086185 | etot = -27.6912591535462 -962000 ekin = 5.10220917296402 | erot = 3.43365806618123 | epot = -36.292660732266 | etot = -27.7567934931207 -963000 ekin = 5.25727455724231 | erot = 3.39047088285751 | epot = -36.2233249912108 | etot = -27.5755795511109 -964000 ekin = 5.33892942752122 | erot = 3.38850636488222 | epot = -36.1631800361608 | etot = -27.4357442437574 -965000 ekin = 5.29707309584692 | erot = 3.40709075904033 | epot = -36.114647791191 | etot = -27.4104839363038 -966000 ekin = 5.27380254283779 | erot = 3.34984185029608 | epot = -36.0934598827398 | etot = -27.4698154896059 -967000 ekin = 5.19975037009087 | erot = 3.54967607074493 | epot = -36.1222651146705 | etot = -27.3728386738347 -968000 ekin = 5.22098509097161 | erot = 3.38920040678115 | epot = -36.1570868906189 | etot = -27.5469013928661 -969000 ekin = 5.01248198517091 | erot = 3.26201512253216 | epot = -36.2130447987696 | etot = -27.9385476910665 -970000 ekin = 4.97914863237121 | erot = 3.76343819077309 | epot = -36.2895058744048 | etot = -27.5469190512605 -971000 ekin = 5.04224300192755 | erot = 3.59024832311355 | epot = -36.3590409977773 | etot = -27.7265496727362 -972000 ekin = 5.05787332232144 | erot = 3.83558558676212 | epot = -36.3997125264357 | etot = -27.5062536173522 -973000 ekin = 5.01777031588903 | erot = 3.27986497682672 | epot = -36.416683733591 | etot = -28.1190484408752 -974000 ekin = 4.96186842907965 | erot = 3.23479851019082 | epot = -36.4352005399287 | etot = -28.2385336006583 -975000 ekin = 4.97224363278484 | erot = 3.35077904927885 | epot = -36.455709806026 | etot = -28.1326871239623 -976000 ekin = 5.01625531380467 | erot = 3.41837200675027 | epot = -36.4643526378165 | etot = -28.0297253172615 -977000 ekin = 5.04359880486621 | erot = 3.40669885598948 | epot = -36.4673967616861 | etot = -28.0170991008304 -978000 ekin = 4.96814116021997 | erot = 3.3988542289389 | epot = -36.4671439769023 | etot = -28.1001485877434 -979000 ekin = 4.68494120169423 | erot = 3.87226166481182 | epot = -36.4696261904956 | etot = -27.9124233239896 -980000 ekin = 4.80514576213004 | erot = 3.73614562894118 | epot = -36.4753768381447 | etot = -27.9340854470735 -981000 ekin = 4.85375109376568 | erot = 4.35522911700057 | epot = -36.4902775794649 | etot = -27.2812973686986 -982000 ekin = 4.79648806853534 | erot = 4.15595945903824 | epot = -36.5084812040043 | etot = -27.5560336764307 -983000 ekin = 4.75907969484559 | erot = 4.43556787871588 | epot = -36.5083539693089 | etot = -27.3137063957474 -984000 ekin = 4.81598118844461 | erot = 4.52957555705406 | epot = -36.5383410952792 | etot = -27.1927843497806 -985000 ekin = 4.87924474651563 | erot = 4.3163097901408 | epot = -36.5777006480737 | etot = -27.3821461114172 -986000 ekin = 4.77128314225264 | erot = 4.12408981491538 | epot = -36.5819281400493 | etot = -27.6865551828813 -987000 ekin = 4.70900566206954 | erot = 4.08922713836853 | epot = -36.5892891612702 | etot = -27.7910563608322 -988000 ekin = 4.69685644927805 | erot = 4.03217145235649 | epot = -36.6289948782911 | etot = -27.8999669766566 -989000 ekin = 4.56955203825868 | erot = 4.16364650343098 | epot = -36.6885496975511 | etot = -27.9553511558614 -990000 ekin = 4.56207337975407 | erot = 3.92865148644803 | epot = -36.7375440238769 | etot = -28.2468191576748 -991000 ekin = 4.45863269474038 | erot = 3.99370804360135 | epot = -36.8046932644695 | etot = -28.3523525261278 -992000 ekin = 4.52516169638379 | erot = 4.19036473784521 | epot = -36.90459516699 | etot = -28.189068732761 -993000 ekin = 4.26593637771868 | erot = 4.55899726308546 | epot = -37.028392229238 | etot = -28.2034585884339 -994000 ekin = 4.14968593988764 | erot = 4.67871188882305 | epot = -37.1561829580787 | etot = -28.327785129368 -995000 ekin = 4.20875361665793 | erot = 4.51127733270572 | epot = -37.2858931380942 | etot = -28.5658621887305 -996000 ekin = 4.10968366764503 | erot = 4.2587192792391 | epot = -37.3745810703572 | etot = -29.006178123473 -997000 ekin = 4.00616178452013 | erot = 4.48911641516102 | epot = -37.4314666701193 | etot = -28.9361884704382 -998000 ekin = 4.02180091280217 | erot = 4.35841167717868 | epot = -37.4443636100146 | etot = -29.0641510200337 -999000 ekin = 4.07504562976173 | erot = 4.26230873450589 | epot = -37.4098012996895 | etot = -29.0724469354219 -1000000 ekin = 3.90433765201102 | erot = 4.668818882285 | epot = -37.3063332342176 | etot = -28.7331766999216 - 1000000 0.10411567 -1.4674304 0.032571422 -1.2846921 -6.6175275e-05 64000 -Loop time of 50.1084 on 4 procs for 1000000 steps with 26 atoms - -Performance: 17242.621 tau/day, 19956.737 timesteps/s -99.6% CPU use with 4 MPI tasks x no OpenMP threads - -MPI task timing breakdown: -Section | min time | avg time | max time |%varavg| %total ---------------------------------------------------------------- -Pair | 23.546 | 32.709 | 41.497 | 153.6 | 65.28 -Bond | 0.51019 | 0.67522 | 0.82925 | 17.7 | 1.35 -Neigh | 0.014865 | 0.014889 | 0.014927 | 0.0 | 0.03 -Comm | 4.26 | 12.866 | 21.787 | 239.8 | 25.68 -Output | 0.13375 | 0.1515 | 0.15811 | 2.6 | 0.30 -Modify | 1.6128 | 2.2213 | 2.8367 | 40.6 | 4.43 -Other | | 1.47 | | | 2.93 - -Nlocal: 6.50000 ave 10 max 3 min -Histogram: 2 0 0 0 0 0 0 0 0 2 -Nghost: 19.5000 ave 23 max 16 min -Histogram: 2 0 0 0 0 0 0 0 0 2 -Neighs: 131.000 ave 195 max 67 min -Histogram: 2 0 0 0 0 0 0 0 0 2 - -Total # of neighbors = 524 -Ave neighs/atom = 20.153846 -Ave special neighs/atom = 5.0769231 -Neighbor list builds = 1000 -Dangerous builds = 0 - -write_data last_config.${number}.* nocoeff -write_data last_config.8.* nocoeff -System init for write_data ... -Total wall time: 0:00:50 diff --git a/examples/PACKAGES/cgdna/examples/oxDNA2/unique_bp/log.2Jul21.duplex4.4type.g++.1 b/examples/PACKAGES/cgdna/examples/oxDNA2/unique_bp/log.2Jul21.duplex4.4type.g++.1 new file mode 100644 index 0000000000..d91037ccc8 --- /dev/null +++ b/examples/PACKAGES/cgdna/examples/oxDNA2/unique_bp/log.2Jul21.duplex4.4type.g++.1 @@ -0,0 +1,1230 @@ +LAMMPS (2 Jul 2021) +variable number equal 4 +variable ofreq equal 1000 +variable efreq equal 1000 + +variable ntype equal 4 + +variable T equal 0.1 +variable rhos equal 0.2 + +units lj + +dimension 3 + +newton on + +boundary p p p + +atom_style hybrid bond ellipsoid oxdna +WARNING: Atom style hybrid defines both, per-type and per-atom masses; both must be set, but only per-atom masses will be used (../atom_vec_hybrid.cpp:157) +atom_modify sort 0 1.0 + +# Pair interactions require lists of neighbours to be calculated +neighbor 2.0 bin +neigh_modify every 10 delay 0 check yes + +read_data data.duplex4.4type +Reading data file ... + orthogonal box = (-20.000000 -20.000000 -20.000000) to (20.000000 20.000000 20.000000) + 1 by 1 by 1 MPI processor grid + reading atoms ... + 26 atoms + reading velocities ... + 26 velocities + scanning bonds ... + 1 = max bonds/atom + 26 ellipsoids + reading bonds ... + 24 bonds +Finding 1-2 1-3 1-4 neighbors ... + special bond factors lj: 0 0 0 + special bond factors coul: 0 0 0 + 2 = max # of 1-2 neighbors + 2 = max # of 1-3 neighbors + 4 = max # of 1-4 neighbors + 6 = max # of special neighbors + special bonds CPU = 0.000 seconds + read_data CPU = 0.003 seconds + +mass * 3.1575 # sets per-type mass if not in data file +set atom * mass 3.1575 # sets per-atom mass +Setting atom values ... + 26 settings made for mass + +group all type 1 4 +26 atoms in group all + +# oxDNA2 bond interactions - FENE backbone +bond_style oxdna2/fene +bond_coeff * 2.0 0.25 0.7564 +special_bonds lj 0 1 1 +Finding 1-2 1-3 1-4 neighbors ... + special bond factors lj: 0 1 1 + special bond factors coul: 0 0 0 + 2 = max # of 1-2 neighbors + 2 = max # of 1-3 neighbors + 4 = max # of 1-4 neighbors + 6 = max # of special neighbors + special bonds CPU = 0.000 seconds + +# oxDNA pair interactions +pair_style hybrid/overlay oxdna2/excv oxdna2/stk oxdna2/hbond oxdna2/xstk oxdna2/coaxstk oxdna2/dh +pair_coeff * * oxdna2/excv 2.0 0.7 0.675 2.0 0.515 0.5 2.0 0.33 0.32 +pair_coeff * * oxdna2/stk seqdep ${T} 1.3523 2.6717 6.0 0.4 0.9 0.32 0.75 1.3 0 0.8 0.9 0 0.95 0.9 0 0.95 2.0 0.65 2.0 0.65 +pair_coeff * * oxdna2/stk seqdep 0.1 1.3523 2.6717 6.0 0.4 0.9 0.32 0.75 1.3 0 0.8 0.9 0 0.95 0.9 0 0.95 2.0 0.65 2.0 0.65 +pair_coeff * * oxdna2/hbond seqdep 0.0 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 + +label loop +variable base loop ${ntype} +variable base loop 4 + variable basemod equal ${base}%4 + variable basemod equal 1%4 + if "${basemod} == 1" then "variable comp equal ${base}+3" "pair_coeff ${base} ${comp} oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45" +variable comp equal ${base}+3 +variable comp equal 1+3 +pair_coeff ${base} ${comp} oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 +pair_coeff 1 ${comp} oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 +pair_coeff 1 4 oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 + if "${basemod} == 2" then "variable comp equal ${base}+1" "pair_coeff ${base} ${comp} oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45" +next base +jump in.duplex4.4type loop +variable base loop ${ntype} +variable base loop 4 + variable basemod equal ${base}%4 + variable basemod equal 2%4 + if "${basemod} == 1" then "variable comp equal ${base}+3" "pair_coeff ${base} ${comp} oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45" + if "${basemod} == 2" then "variable comp equal ${base}+1" "pair_coeff ${base} ${comp} oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45" +variable comp equal ${base}+1 +variable comp equal 2+1 +pair_coeff ${base} ${comp} oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 +pair_coeff 2 ${comp} oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 +pair_coeff 2 3 oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 +next base +jump in.duplex4.4type loop +variable base loop ${ntype} +variable base loop 4 + variable basemod equal ${base}%4 + variable basemod equal 3%4 + if "${basemod} == 1" then "variable comp equal ${base}+3" "pair_coeff ${base} ${comp} oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45" + if "${basemod} == 2" then "variable comp equal ${base}+1" "pair_coeff ${base} ${comp} oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45" +next base +jump in.duplex4.4type loop +variable base loop ${ntype} +variable base loop 4 + variable basemod equal ${base}%4 + variable basemod equal 4%4 + if "${basemod} == 1" then "variable comp equal ${base}+3" "pair_coeff ${base} ${comp} oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45" + if "${basemod} == 2" then "variable comp equal ${base}+1" "pair_coeff ${base} ${comp} oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45" +next base +jump in.duplex4.4type loop + +pair_coeff * * oxdna2/xstk 47.5 0.575 0.675 0.495 0.655 2.25 0.791592653589793 0.58 1.7 1.0 0.68 1.7 1.0 0.68 1.5 0 0.65 1.7 0.875 0.68 1.7 0.875 0.68 +pair_coeff * * oxdna2/coaxstk 58.5 0.4 0.6 0.22 0.58 2.0 2.891592653589793 0.65 1.3 0 0.8 0.9 0 0.95 0.9 0 0.95 40.0 3.116592653589793 +pair_coeff * * oxdna2/dh ${T} ${rhos} 0.815 +pair_coeff * * oxdna2/dh 0.1 ${rhos} 0.815 +pair_coeff * * oxdna2/dh 0.1 0.2 0.815 + +# Langevin dynamics +fix 1 all nve/asphere +fix 2 all langevin ${T} ${T} 2.5 457145 angmom 10 +fix 2 all langevin 0.1 ${T} 2.5 457145 angmom 10 +fix 2 all langevin 0.1 0.1 2.5 457145 angmom 10 + +timestep 1e-5 + +#comm_style tiled +fix 3 all balance 1000 1.03 shift xyz 10 1.03 +comm_modify cutoff 3.8 + +compute quat all property/atom quatw quati quatj quatk + +compute erot all erotate/asphere +compute ekin all ke +compute epot all pe +variable erot equal c_erot +variable ekin equal c_ekin +variable epot equal c_epot +variable etot equal c_erot+c_ekin+c_epot +fix 5 all print ${efreq} "$(step) ekin = ${ekin} | erot = ${erot} | epot = ${epot} | etot = ${etot}" screen yes +fix 5 all print 1000 "$(step) ekin = ${ekin} | erot = ${erot} | epot = ${epot} | etot = ${etot}" screen yes + +dump out all custom ${ofreq} out.${number}.lammpstrj id mol type x y z ix iy iz vx vy vz c_quat[1] c_quat[2] c_quat[3] c_quat[4] angmomx angmomy angmomz +dump out all custom 1000 out.${number}.lammpstrj id mol type x y z ix iy iz vx vy vz c_quat[1] c_quat[2] c_quat[3] c_quat[4] angmomx angmomy angmomz +dump out all custom 1000 out.4.lammpstrj id mol type x y z ix iy iz vx vy vz c_quat[1] c_quat[2] c_quat[3] c_quat[4] angmomx angmomy angmomz +dump_modify out sort id +dump_modify out format line "%d %d %d %22.15le %22.15le %22.15le %d %d %d %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le" + +run 1000000 +Neighbor list info ... + update every 10 steps, delay 0 steps, check yes + max neighbors/atom: 2000, page size: 100000 + master list distance cutoff = 5.6389877 + ghost atom cutoff = 5.6389877 + binsize = 2.8194939, bins = 15 15 15 + 5 neighbor lists, perpetual/occasional/extra = 5 0 0 + (1) pair oxdna2/excv, perpetual + attributes: half, newton on + pair build: half/bin/newton + stencil: half/bin/3d + bin: standard + (2) pair oxdna2/hbond, perpetual, copy from (1) + attributes: half, newton on + pair build: copy + stencil: none + bin: none + (3) pair oxdna2/xstk, perpetual, copy from (1) + attributes: half, newton on + pair build: copy + stencil: none + bin: none + (4) pair oxdna2/coaxstk, perpetual, copy from (1) + attributes: half, newton on + pair build: copy + stencil: none + bin: none + (5) pair oxdna2/dh, perpetual, copy from (1) + attributes: half, newton on + pair build: copy + stencil: none + bin: none +WARNING: Communication cutoff adjusted to 5.638987723814632 (../comm.cpp:739) +0 ekin = 3.74991604702378 | erot = 3.45272678980464 | epot = -37.374200901142 | etot = -30.1715580643136 +Per MPI rank memory allocation (min/avg/max) = 9.328 | 9.328 | 9.328 Mbytes +Step Temp E_pair E_mol TotEng Press Volume + 0 0.099997761 -1.4717559 0.03428661 -1.2932417 5.6146609e-05 64000 +1000 ekin = 3.83184879800819 | erot = 3.50203401022062 | epot = -37.4730508915114 | etot = -30.1391680832826 +2000 ekin = 3.82227374831519 | erot = 3.79878100905234 | epot = -37.616191007464 | etot = -29.9951362500965 +3000 ekin = 3.90938932030971 | erot = 4.1584025695072 | epot = -37.7430329723255 | etot = -29.6752410825086 +4000 ekin = 3.82373321902577 | erot = 4.12183047279799 | epot = -37.8313543569025 | etot = -29.8857906650787 +5000 ekin = 3.7245469506492 | erot = 4.29953523687407 | epot = -37.8617217220934 | etot = -29.8376395345701 +6000 ekin = 3.75585156536887 | erot = 4.31270713695362 | epot = -37.8280629310505 | etot = -29.759504228728 +7000 ekin = 3.7932674084105 | erot = 4.16508360466875 | epot = -37.7640947397913 | etot = -29.8057437267121 +8000 ekin = 3.74746489835263 | erot = 4.25243425677967 | epot = -37.6835135449588 | etot = -29.6836143898265 +9000 ekin = 3.70802697723781 | erot = 4.00193184819411 | epot = -37.5899388200959 | etot = -29.879979994664 +10000 ekin = 3.58135597641079 | erot = 3.86411518632772 | epot = -37.5041732418663 | etot = -30.0587020791278 +11000 ekin = 3.45122934445655 | erot = 4.1703535299311 | epot = -37.4859882561369 | etot = -29.8644053817493 +12000 ekin = 3.42435863038453 | erot = 4.21487472538924 | epot = -37.5307136425246 | etot = -29.8914802867508 +13000 ekin = 3.40216979362993 | erot = 4.07292918248782 | epot = -37.6378499557145 | etot = -30.1627509795968 +14000 ekin = 3.2921331552169 | erot = 4.50441987673251 | epot = -37.7761364031321 | etot = -29.9795833711827 +15000 ekin = 3.36883179726036 | erot = 4.91359031415192 | epot = -37.9357367952089 | etot = -29.6533146837966 +16000 ekin = 3.30177911852248 | erot = 5.09593415997444 | epot = -38.143737189117 | etot = -29.7460239106201 +17000 ekin = 3.27867865291038 | erot = 5.45789581601551 | epot = -38.3785999463332 | etot = -29.6420254774073 +18000 ekin = 3.36770908750654 | erot = 5.63036493519878 | epot = -38.5970397067551 | etot = -29.5989656840498 +19000 ekin = 3.29802639540141 | erot = 5.4561639608394 | epot = -38.7810833463914 | etot = -30.0268929901506 +20000 ekin = 3.28760849058064 | erot = 5.26031945979083 | epot = -38.9429500949467 | etot = -30.3950221445752 +21000 ekin = 3.32772748450133 | erot = 5.34990394778077 | epot = -39.0618181252056 | etot = -30.3841866929235 +22000 ekin = 3.34298346296243 | erot = 5.12273250375884 | epot = -39.1360899153793 | etot = -30.670373948658 +23000 ekin = 3.38280280428755 | erot = 5.14933572496698 | epot = -39.1974651493046 | etot = -30.6653266200501 +24000 ekin = 3.43991273776911 | erot = 5.03737353653099 | epot = -39.2427818934622 | etot = -30.7654956191621 +25000 ekin = 3.44382800915666 | erot = 4.56194227438362 | epot = -39.2491545805195 | etot = -31.2433842969792 +26000 ekin = 3.47220361933921 | erot = 4.88028216050135 | epot = -39.2033487475128 | etot = -30.8508629676722 +27000 ekin = 3.47824341108214 | erot = 4.7971367004181 | epot = -39.1340731989048 | etot = -30.8586930874046 +28000 ekin = 3.54835351423501 | erot = 4.65494607739445 | epot = -39.0768463918722 | etot = -30.8735468002427 +29000 ekin = 3.57491058588778 | erot = 4.31737192689192 | epot = -39.0420895500443 | etot = -31.1498070372646 +30000 ekin = 3.51438036654861 | erot = 4.50861299911584 | epot = -39.0276136699747 | etot = -31.0046203043103 +31000 ekin = 3.57650331888545 | erot = 4.40811531091204 | epot = -39.0168289246978 | etot = -31.0322102949003 +32000 ekin = 3.70658082522071 | erot = 4.15949186201363 | epot = -39.017410963825 | etot = -31.1513382765907 +33000 ekin = 3.83721022662003 | erot = 4.05055961618762 | epot = -39.0303039022729 | etot = -31.1425340594653 +34000 ekin = 3.94885880665681 | erot = 3.81495459058985 | epot = -39.0180833389347 | etot = -31.2542699416881 +35000 ekin = 3.97994525138323 | erot = 4.49904715736234 | epot = -38.9543629321032 | etot = -30.4753705233577 +36000 ekin = 3.90049506438266 | erot = 3.99723351860168 | epot = -38.8736492127444 | etot = -30.97592062976 +37000 ekin = 4.00119032736887 | erot = 4.30070706410093 | epot = -38.7576942972653 | etot = -30.4557969057955 +38000 ekin = 4.00581796835647 | erot = 3.82064458204034 | epot = -38.6053485149963 | etot = -30.7788859645995 +39000 ekin = 3.92374370666492 | erot = 3.80679256085696 | epot = -38.4357174066365 | etot = -30.7051811391146 +40000 ekin = 3.81525591020245 | erot = 3.60218215391061 | epot = -38.2889289083718 | etot = -30.8714908442587 +41000 ekin = 3.89801377589297 | erot = 3.52447171643241 | epot = -38.2033074629501 | etot = -30.7808219706247 +42000 ekin = 3.92469802136766 | erot = 3.72207083090906 | epot = -38.1843497161945 | etot = -30.5375808639177 +43000 ekin = 3.90355819056277 | erot = 3.6537526927489 | epot = -38.2197716832792 | etot = -30.6624607999675 +44000 ekin = 3.94906849382533 | erot = 3.48405507068376 | epot = -38.2852323155717 | etot = -30.8521087510626 +45000 ekin = 4.04988136986449 | erot = 3.38338492043337 | epot = -38.379217839749 | etot = -30.9459515494512 +46000 ekin = 4.12456204511554 | erot = 3.52614566674475 | epot = -38.4473213411912 | etot = -30.7966136293309 +47000 ekin = 4.05260082430177 | erot = 3.30110271195184 | epot = -38.4808326895795 | etot = -31.1271291533259 +48000 ekin = 3.94672633965036 | erot = 3.30790944660349 | epot = -38.4845357728861 | etot = -31.2298999866322 +49000 ekin = 3.88681575217735 | erot = 3.78262203823329 | epot = -38.4415128535038 | etot = -30.7720750630932 +50000 ekin = 3.8289998539571 | erot = 3.78573156370326 | epot = -38.3450518110649 | etot = -30.7303203934046 +51000 ekin = 3.84405747033417 | erot = 3.53181676479775 | epot = -38.2059734024445 | etot = -30.8300991673126 +52000 ekin = 3.72257170524986 | erot = 3.44233441463346 | epot = -38.0493176755067 | etot = -30.8844115556233 +53000 ekin = 3.58458805955587 | erot = 3.40175184254418 | epot = -37.8770316144346 | etot = -30.8906917123346 +54000 ekin = 3.42774104644866 | erot = 3.01933445329398 | epot = -37.7242775274776 | etot = -31.277202027735 +55000 ekin = 3.30773758120276 | erot = 3.11354928843072 | epot = -37.584427789289 | etot = -31.1631409196555 +56000 ekin = 3.30267684217518 | erot = 3.36746893036055 | epot = -37.4528615341919 | etot = -30.7827157616562 +57000 ekin = 3.19775481140565 | erot = 3.06235541109217 | epot = -37.3795633131473 | etot = -31.1194530906495 +58000 ekin = 3.11776701522974 | erot = 3.21225050262705 | epot = -37.3545495658646 | etot = -31.0245320480078 +59000 ekin = 3.02660076850687 | erot = 3.05700513362467 | epot = -37.3753385948441 | etot = -31.2917326927126 +60000 ekin = 3.05479252149938 | erot = 3.09854486170695 | epot = -37.4441725320783 | etot = -31.2908351488719 +61000 ekin = 3.01704476791617 | erot = 3.76451997765652 | epot = -37.5384296958521 | etot = -30.7568649502794 +62000 ekin = 3.04313706615776 | erot = 3.65046217125996 | epot = -37.6255736746588 | etot = -30.931974437241 +63000 ekin = 3.01457068009169 | erot = 3.63417424777149 | epot = -37.6954625017369 | etot = -31.0467175738737 +64000 ekin = 2.98716002899804 | erot = 3.66823413077172 | epot = -37.7940816265089 | etot = -31.1386874667392 +65000 ekin = 3.02462936411627 | erot = 3.70957377344584 | epot = -37.8868266007907 | etot = -31.1526234632286 +66000 ekin = 3.04943307417979 | erot = 3.64749592963955 | epot = -37.9385532609816 | etot = -31.2416242571623 +67000 ekin = 3.10664998766834 | erot = 3.9244199235005 | epot = -37.9686488739492 | etot = -30.9375789627803 +68000 ekin = 3.1050854233858 | erot = 3.5178167489996 | epot = -37.983113244155 | etot = -31.3602110717696 +69000 ekin = 3.12460161346418 | erot = 3.45336993587921 | epot = -38.016048039057 | etot = -31.4380764897136 +70000 ekin = 3.27586566025794 | erot = 2.94330488125488 | epot = -38.0712687269606 | etot = -31.8520981854478 +71000 ekin = 3.39211310061258 | erot = 2.74512861011504 | epot = -38.1409313278077 | etot = -32.0036896170801 +72000 ekin = 3.40645093836728 | erot = 2.75927481548157 | epot = -38.2448895790434 | etot = -32.0791638251946 +73000 ekin = 3.52971008848823 | erot = 2.59006671029947 | epot = -38.3559671032089 | etot = -32.2361903044212 +74000 ekin = 3.64539698532476 | erot = 2.94116909218575 | epot = -38.4934235930849 | etot = -31.9068575155744 +75000 ekin = 3.80169679560814 | erot = 3.11004664709647 | epot = -38.6561648833572 | etot = -31.7444214406526 +76000 ekin = 3.86343004207989 | erot = 3.33165114941789 | epot = -38.7892518002904 | etot = -31.5941706087926 +77000 ekin = 3.90472352035116 | erot = 3.31177401193377 | epot = -38.8678679983232 | etot = -31.6513704660382 +78000 ekin = 3.92691530468171 | erot = 3.25784074314341 | epot = -38.8969605625462 | etot = -31.7122045147211 +79000 ekin = 3.93607959529918 | erot = 3.16472395725656 | epot = -38.8636036578363 | etot = -31.7628001052805 +80000 ekin = 3.92375596570385 | erot = 3.03932991445865 | epot = -38.7678348516126 | etot = -31.8047489714501 +81000 ekin = 3.9430777715335 | erot = 2.88134017144298 | epot = -38.6473318824763 | etot = -31.8229139394998 +82000 ekin = 3.86696228915965 | erot = 2.89149309255461 | epot = -38.519943391552 | etot = -31.7614880098377 +83000 ekin = 3.60814275609262 | erot = 2.81572010912293 | epot = -38.3996592376438 | etot = -31.9757963724282 +84000 ekin = 3.71373301448702 | erot = 2.72793818704547 | epot = -38.3011883980015 | etot = -31.859517196469 +85000 ekin = 3.50951070251157 | erot = 2.79348490714939 | epot = -38.2117363909514 | etot = -31.9087407812904 +86000 ekin = 3.47308524750449 | erot = 3.12141964520655 | epot = -38.1244236248806 | etot = -31.5299187321696 +87000 ekin = 3.47440394227043 | erot = 3.04160702571504 | epot = -38.0440539828499 | etot = -31.5280430148644 +88000 ekin = 3.44172477689071 | erot = 2.99907227171085 | epot = -37.9859332104928 | etot = -31.5451361618913 +89000 ekin = 3.46547245050649 | erot = 3.42367325086164 | epot = -37.9432140623315 | etot = -31.0540683609633 +90000 ekin = 3.47276106924413 | erot = 3.41105238494334 | epot = -37.9009776655538 | etot = -31.0171642113663 +91000 ekin = 3.31717291023277 | erot = 4.00503611404981 | epot = -37.8509086765271 | etot = -30.5286996522445 +92000 ekin = 3.30281925189455 | erot = 3.78657692130476 | epot = -37.8308149894367 | etot = -30.7414188162374 +93000 ekin = 3.23932364656722 | erot = 3.46021357148725 | epot = -37.8328101558439 | etot = -31.1332729377895 +94000 ekin = 3.19291152023924 | erot = 3.36401906457231 | epot = -37.8297890174383 | etot = -31.2728584326267 +95000 ekin = 3.11174095364037 | erot = 3.84559531996404 | epot = -37.8285495206063 | etot = -30.8712132470019 +96000 ekin = 3.08253957616709 | erot = 4.19970849347964 | epot = -37.8307056468836 | etot = -30.5484575772369 +97000 ekin = 3.01019162595084 | erot = 4.79435511235213 | epot = -37.8474383063022 | etot = -30.0428915679992 +98000 ekin = 2.95004498340948 | erot = 4.45721895779631 | epot = -37.8489202082855 | etot = -30.4416562670797 +99000 ekin = 2.91563074020306 | erot = 4.14781823161589 | epot = -37.8396252499933 | etot = -30.7761762781743 +100000 ekin = 2.90648603235873 | erot = 3.81215086067838 | epot = -37.7900595351461 | etot = -31.071422642109 +101000 ekin = 2.85218071196321 | erot = 3.48991910340789 | epot = -37.7570245236792 | etot = -31.4149247083081 +102000 ekin = 2.86052427330307 | erot = 3.57587365782269 | epot = -37.7214005697291 | etot = -31.2850026386034 +103000 ekin = 2.88913271922391 | erot = 3.41748118405764 | epot = -37.6983180369495 | etot = -31.3917041336679 +104000 ekin = 2.81650081212179 | erot = 3.64361039549583 | epot = -37.6651320682074 | etot = -31.2050208605898 +105000 ekin = 2.79823699847461 | erot = 3.35865525277725 | epot = -37.6511913094721 | etot = -31.4942990582202 +106000 ekin = 2.78255015161702 | erot = 3.64122601097049 | epot = -37.6357012767034 | etot = -31.2119251141159 +107000 ekin = 2.8853059029881 | erot = 3.80038887689828 | epot = -37.6526611371135 | etot = -30.9669663572271 +108000 ekin = 2.83844762508156 | erot = 3.95272494897009 | epot = -37.7224292501163 | etot = -30.9312566760646 +109000 ekin = 2.91484982662488 | erot = 4.34544884566561 | epot = -37.8436434051328 | etot = -30.5833447328423 +110000 ekin = 2.93667443132402 | erot = 4.67698362049705 | epot = -37.9759529936705 | etot = -30.3622949418494 +111000 ekin = 3.11047864616463 | erot = 4.30694673133228 | epot = -38.1028692919235 | etot = -30.6854439144266 +112000 ekin = 3.32630420939175 | erot = 4.07222830175934 | epot = -38.2330557688864 | etot = -30.8345232577353 +113000 ekin = 3.38238157246173 | erot = 4.25399862575981 | epot = -38.4031841501303 | etot = -30.7668039519087 +114000 ekin = 3.40165200205494 | erot = 4.30744946748772 | epot = -38.6070332241657 | etot = -30.897931754623 +115000 ekin = 3.57685598139985 | erot = 4.55740206723813 | epot = -38.8200433287836 | etot = -30.6857852801457 +116000 ekin = 3.75973031177341 | erot = 4.3615765459289 | epot = -39.0323085624545 | etot = -30.9110017047522 +117000 ekin = 4.08170792820106 | erot = 4.22817627756988 | epot = -39.2374888319016 | etot = -30.9276046261307 +118000 ekin = 4.20730049786356 | erot = 4.45363628574744 | epot = -39.4247594107616 | etot = -30.7638226271506 +119000 ekin = 4.26502745539807 | erot = 4.38707691524353 | epot = -39.5609276649305 | etot = -30.9088232942889 +120000 ekin = 4.18668022830479 | erot = 4.24219249569072 | epot = -39.6276325806844 | etot = -31.1987598566889 +121000 ekin = 4.37673633947889 | erot = 4.44899930150549 | epot = -39.5989335189462 | etot = -30.7731978779619 +122000 ekin = 4.38970640566177 | erot = 4.08524736298491 | epot = -39.5011631447288 | etot = -31.0262093760821 +123000 ekin = 4.42858502015389 | erot = 3.38666748651706 | epot = -39.3700347945817 | etot = -31.5547822879107 +124000 ekin = 4.41843242629728 | erot = 3.29902599884916 | epot = -39.2496495732995 | etot = -31.532191148153 +125000 ekin = 4.2617494523508 | erot = 3.29673673713413 | epot = -39.1012418833314 | etot = -31.5427556938464 +126000 ekin = 4.24892047563245 | erot = 3.36728042977249 | epot = -38.9439369649168 | etot = -31.3277360595119 +127000 ekin = 4.20697642244211 | erot = 3.24776092764451 | epot = -38.7860930134988 | etot = -31.3313556634121 +128000 ekin = 4.051155507125 | erot = 3.47679598409534 | epot = -38.6330582994878 | etot = -31.1051068082675 +129000 ekin = 4.05771564566355 | erot = 3.55109790126639 | epot = -38.5073350485463 | etot = -30.8985215016164 +130000 ekin = 3.96453894213021 | erot = 3.5331352226628 | epot = -38.3915659508259 | etot = -30.8938917860329 +131000 ekin = 3.98900505769183 | erot = 3.64077310067997 | epot = -38.2786451293432 | etot = -30.6488669709714 +132000 ekin = 3.73079609117296 | erot = 3.73126171283414 | epot = -38.1409399456635 | etot = -30.6788821416564 +133000 ekin = 3.65247250435603 | erot = 3.53430985836843 | epot = -38.0235035134258 | etot = -30.8367211507014 +134000 ekin = 3.69649402588234 | erot = 3.97356364722737 | epot = -37.9278485959382 | etot = -30.2577909228285 +135000 ekin = 3.57147615494152 | erot = 4.00472599145964 | epot = -37.8397002442413 | etot = -30.2634980978401 +136000 ekin = 3.54164301577371 | erot = 3.88237062104624 | epot = -37.7460882463413 | etot = -30.3220746095214 +137000 ekin = 3.41247180964224 | erot = 3.32750587829717 | epot = -37.6246112923031 | etot = -30.8846336043637 +138000 ekin = 3.46206567288776 | erot = 3.47277237990382 | epot = -37.562116148782 | etot = -30.6272780959905 +139000 ekin = 3.46179863350053 | erot = 3.29345554522865 | epot = -37.5218039357363 | etot = -30.7665497570071 +140000 ekin = 3.57268233853842 | erot = 3.5202154657235 | epot = -37.4799882832129 | etot = -30.387090478951 +141000 ekin = 3.48030321137913 | erot = 3.69147952189496 | epot = -37.4842309048152 | etot = -30.3124481715411 +142000 ekin = 3.63349703801683 | erot = 3.72222694231707 | epot = -37.5326170636814 | etot = -30.1768930833475 +143000 ekin = 3.71391772492719 | erot = 3.32855653910457 | epot = -37.5715573506384 | etot = -30.5290830866066 +144000 ekin = 3.59876610372647 | erot = 3.57133292531736 | epot = -37.6083426167156 | etot = -30.4382435876717 +145000 ekin = 3.55129898738003 | erot = 3.38442665443505 | epot = -37.645703742064 | etot = -30.7099781002489 +146000 ekin = 3.57274630492872 | erot = 3.74306660671665 | epot = -37.6918399298831 | etot = -30.3760270182377 +147000 ekin = 3.51175180004563 | erot = 4.07506203504851 | epot = -37.7115891932223 | etot = -30.1247753581282 +148000 ekin = 3.52194530375129 | erot = 4.22438638639855 | epot = -37.7453589028593 | etot = -29.9990272127094 +149000 ekin = 3.43829227837986 | erot = 4.25032155928043 | epot = -37.7800675049656 | etot = -30.0914536673053 +150000 ekin = 3.3957375930512 | erot = 4.12519198982275 | epot = -37.7779101405858 | etot = -30.2569805577118 +151000 ekin = 3.38494817974845 | erot = 3.91154836764821 | epot = -37.7346130185547 | etot = -30.4381164711581 +152000 ekin = 3.33928233486053 | erot = 3.82420376901224 | epot = -37.6923063731278 | etot = -30.5288202692551 +153000 ekin = 3.38955645731944 | erot = 3.72251905459199 | epot = -37.6703717263952 | etot = -30.5582962144838 +154000 ekin = 3.4017017115168 | erot = 3.95270448125707 | epot = -37.6783897084388 | etot = -30.3239835156649 +155000 ekin = 3.44581188687106 | erot = 3.52528589615972 | epot = -37.7593041359923 | etot = -30.7882063529615 +156000 ekin = 3.55410349285979 | erot = 3.68359553101924 | epot = -37.8946612865555 | etot = -30.6569622626765 +157000 ekin = 3.67740663285561 | erot = 3.73708949692857 | epot = -38.0406477694046 | etot = -30.6261516396204 +158000 ekin = 3.70912292320982 | erot = 3.62418205239286 | epot = -38.1900046609469 | etot = -30.8566996853442 +159000 ekin = 3.6853282619123 | erot = 3.87298071798083 | epot = -38.2928836797072 | etot = -30.7345746998141 +160000 ekin = 3.72002440516723 | erot = 4.11592492943216 | epot = -38.3652902740973 | etot = -30.5293409394979 +161000 ekin = 3.73388863499069 | erot = 4.42836121024183 | epot = -38.4373191354183 | etot = -30.2750692901858 +162000 ekin = 4.02523829931076 | erot = 4.8680769419056 | epot = -38.4975346699525 | etot = -29.6042194287362 +163000 ekin = 4.03311015138323 | erot = 4.78291233450122 | epot = -38.5597523007635 | etot = -29.7437298148791 +164000 ekin = 4.1335004223363 | erot = 5.01454292769812 | epot = -38.5888368946085 | etot = -29.4407935445741 +165000 ekin = 4.2571846721418 | erot = 4.92225725319176 | epot = -38.5829201612759 | etot = -29.4034782359424 +166000 ekin = 4.11013815046505 | erot = 4.5380600083009 | epot = -38.5467907483033 | etot = -29.8985925895373 +167000 ekin = 4.08710467384593 | erot = 4.20997030650446 | epot = -38.4814936158366 | etot = -30.1844186354862 +168000 ekin = 4.03924000036858 | erot = 3.95993274976396 | epot = -38.3759188508994 | etot = -30.3767461007668 +169000 ekin = 3.94917218886656 | erot = 3.65240127094122 | epot = -38.2594355677076 | etot = -30.6578621078998 +170000 ekin = 3.90935554205321 | erot = 3.78797512477889 | epot = -38.1835201359157 | etot = -30.4861894690836 +171000 ekin = 3.8773250489546 | erot = 4.28652570004448 | epot = -38.1402484566641 | etot = -29.976397707665 +172000 ekin = 3.75957929171828 | erot = 4.02272820820138 | epot = -38.1557340618708 | etot = -30.3734265619512 +173000 ekin = 3.55030915229003 | erot = 4.03115995993296 | epot = -38.2480280629192 | etot = -30.6665589506962 +174000 ekin = 3.61281225750312 | erot = 4.30402685904744 | epot = -38.379508028535 | etot = -30.4626689119845 +175000 ekin = 3.56741376549371 | erot = 4.24945045724339 | epot = -38.5125929458379 | etot = -30.6957287231008 +176000 ekin = 3.69966296688439 | erot = 4.22673264606634 | epot = -38.6131459163278 | etot = -30.6867503033771 +177000 ekin = 3.7232933477479 | erot = 4.39637021744871 | epot = -38.6555013846403 | etot = -30.5358378194437 +178000 ekin = 3.7991935766677 | erot = 4.00194735045329 | epot = -38.6620582075599 | etot = -30.8609172804389 +179000 ekin = 3.78008346787859 | erot = 4.05267692212526 | epot = -38.6224110467893 | etot = -30.7896506567854 +180000 ekin = 3.84388711467645 | erot = 3.70916125532564 | epot = -38.5399848480517 | etot = -30.9869364780496 +181000 ekin = 3.78854199589317 | erot = 3.43025530256468 | epot = -38.4472679874805 | etot = -31.2284706890226 +182000 ekin = 3.65298336461982 | erot = 3.4144670384005 | epot = -38.3421256904839 | etot = -31.2746752874636 +183000 ekin = 3.57592466495272 | erot = 3.54000226366918 | epot = -38.2342661287443 | etot = -31.1183392001224 +184000 ekin = 3.59097293869161 | erot = 3.49764131752706 | epot = -38.1237685559035 | etot = -31.0351542996848 +185000 ekin = 3.59874593561892 | erot = 3.34180949424631 | epot = -38.0345613955437 | etot = -31.0940059656785 +186000 ekin = 3.55637392703387 | erot = 3.60010534755636 | epot = -37.9685691221056 | etot = -30.8120898475154 +187000 ekin = 3.30341471869181 | erot = 3.63282669533297 | epot = -37.9082034969871 | etot = -30.9719620829623 +188000 ekin = 3.25151380843728 | erot = 3.4158708150676 | epot = -37.8374520507023 | etot = -31.1700674271975 +189000 ekin = 3.09888859581603 | erot = 3.51324139411299 | epot = -37.7831379378025 | etot = -31.1710079478735 +190000 ekin = 2.9309664789049 | erot = 3.73100049541724 | epot = -37.7090579094215 | etot = -31.0470909350994 +191000 ekin = 2.7884578953631 | erot = 3.59181404756254 | epot = -37.6234731970084 | etot = -31.2432012540828 +192000 ekin = 2.68708504006426 | erot = 3.91911783313626 | epot = -37.526883385388 | etot = -30.9206805121875 +193000 ekin = 2.65091164661301 | erot = 3.82754219131902 | epot = -37.4213833049326 | etot = -30.9429294670006 +194000 ekin = 2.55372434146215 | erot = 3.81228833556049 | epot = -37.3433541779816 | etot = -30.977341500959 +195000 ekin = 2.54515296633922 | erot = 3.77157425987472 | epot = -37.2550689450336 | etot = -30.9383417188196 +196000 ekin = 2.57228739351393 | erot = 3.48448370430655 | epot = -37.1707275909677 | etot = -31.1139564931472 +197000 ekin = 2.47659034250743 | erot = 3.31788075232347 | epot = -37.1125490303323 | etot = -31.3180779355014 +198000 ekin = 2.47817611131623 | erot = 3.41593598489791 | epot = -37.0628542395745 | etot = -31.1687421433604 +199000 ekin = 2.46398696321861 | erot = 3.79330738397083 | epot = -37.0410272717131 | etot = -30.7837329245237 +200000 ekin = 2.66032750534619 | erot = 3.50045834258033 | epot = -37.0560186461538 | etot = -30.8952327982273 +201000 ekin = 2.82925423269724 | erot = 3.87280363693036 | epot = -37.1094527749141 | etot = -30.4073949052865 +202000 ekin = 2.87690134773435 | erot = 3.73724666810631 | epot = -37.1548849140444 | etot = -30.5407368982037 +203000 ekin = 3.09789929071291 | erot = 3.54687635269494 | epot = -37.1913390618662 | etot = -30.5465634184584 +204000 ekin = 3.2249783082041 | erot = 3.52082166300909 | epot = -37.2064645595876 | etot = -30.4606645883744 +205000 ekin = 3.08968228459873 | erot = 3.62768693137654 | epot = -37.2539593887052 | etot = -30.5365901727299 +206000 ekin = 3.1101415017481 | erot = 3.73856786590981 | epot = -37.3166778706669 | etot = -30.467968503009 +207000 ekin = 3.1829453735338 | erot = 4.25652712659376 | epot = -37.3463184168161 | etot = -29.9068459166886 +208000 ekin = 3.18396090757444 | erot = 4.43896014450663 | epot = -37.3566061410102 | etot = -29.7336850889291 +209000 ekin = 3.31348354672045 | erot = 3.97662877739679 | epot = -37.3764215045056 | etot = -30.0863091803884 +210000 ekin = 3.17486958285119 | erot = 3.68714944924489 | epot = -37.3622513109274 | etot = -30.5002322788313 +211000 ekin = 3.2477738173839 | erot = 3.39112189744197 | epot = -37.3847088569504 | etot = -30.7458131421245 +212000 ekin = 3.12182354729226 | erot = 3.15133571404853 | epot = -37.4262282165348 | etot = -31.153068955194 +213000 ekin = 3.1232309019731 | erot = 3.03298058440268 | epot = -37.4993866522035 | etot = -31.3431751658277 +214000 ekin = 3.02782055391866 | erot = 3.5189307426383 | epot = -37.618739888869 | etot = -31.071988592312 +215000 ekin = 3.08902625374254 | erot = 3.62054952513122 | epot = -37.8003692924875 | etot = -31.0907935136138 +216000 ekin = 3.0402918166672 | erot = 4.36545701920737 | epot = -38.0086846511918 | etot = -30.6029358153172 +217000 ekin = 3.11869416684308 | erot = 4.23835788568589 | epot = -38.1755180741878 | etot = -30.8184660216589 +218000 ekin = 3.12136726795473 | erot = 3.99627368131625 | epot = -38.3382201370155 | etot = -31.2205791877445 +219000 ekin = 3.2474996523994 | erot = 4.03289859762084 | epot = -38.4910930976405 | etot = -31.2106948476203 +220000 ekin = 3.1973165065664 | erot = 4.16726840142166 | epot = -38.6410163306451 | etot = -31.276431422657 +221000 ekin = 3.14591003185424 | erot = 4.4764367328117 | epot = -38.780722121156 | etot = -31.15837535649 +222000 ekin = 3.06194834255767 | erot = 4.40957176775797 | epot = -38.8960295960944 | etot = -31.4245094857787 +223000 ekin = 3.09392792198335 | erot = 4.36929377800867 | epot = -38.9696160320109 | etot = -31.5063943320188 +224000 ekin = 3.18434099924865 | erot = 4.674141260581 | epot = -39.0019773177328 | etot = -31.1434950579031 +225000 ekin = 3.26887097312573 | erot = 4.32849031089069 | epot = -39.0446790784002 | etot = -31.4473177943838 +226000 ekin = 3.21195731331512 | erot = 5.11387401999741 | epot = -39.0947841174991 | etot = -30.7689527841866 +227000 ekin = 3.12036258026498 | erot = 5.06347912205044 | epot = -39.0762383614625 | etot = -30.8923966591471 +228000 ekin = 3.09996729726213 | erot = 5.29564700287486 | epot = -39.0208988713251 | etot = -30.6252845711881 +229000 ekin = 3.03897933795902 | erot = 5.24780237112332 | epot = -38.9575212211327 | etot = -30.6707395120503 +230000 ekin = 3.00051887289146 | erot = 4.62162674048183 | epot = -38.9098464143818 | etot = -31.2877008010086 +231000 ekin = 2.91912781370872 | erot = 4.16321547565937 | epot = -38.8503568044396 | etot = -31.7680135150715 +232000 ekin = 2.80548407611275 | erot = 4.26963451717891 | epot = -38.7971045932123 | etot = -31.7219859999206 +233000 ekin = 2.921352071703 | erot = 4.30663886521625 | epot = -38.7943069633021 | etot = -31.5663160263829 +234000 ekin = 2.8987567571007 | erot = 4.15218445741161 | epot = -38.7953536145697 | etot = -31.7444124000574 +235000 ekin = 2.99243729544443 | erot = 3.66858116296993 | epot = -38.7881689836612 | etot = -32.1271505252468 +236000 ekin = 3.05722012426337 | erot = 3.77007572255967 | epot = -38.8307946718328 | etot = -32.0034988250098 +237000 ekin = 2.93797686036748 | erot = 4.00589644921927 | epot = -38.929946515337 | etot = -31.9860732057502 +238000 ekin = 2.9414435200925 | erot = 3.88111097233617 | epot = -39.0498657472631 | etot = -32.2273112548344 +239000 ekin = 3.10382951223872 | erot = 3.96380163382871 | epot = -39.1526703213401 | etot = -32.0850391752727 +240000 ekin = 3.05998182778604 | erot = 4.32395093282883 | epot = -39.2052189603879 | etot = -31.821286199773 +241000 ekin = 3.07091800265519 | erot = 4.10063821004074 | epot = -39.2356744872187 | etot = -32.0641182745228 +242000 ekin = 2.97211136503677 | erot = 4.19271702506013 | epot = -39.2591861941867 | etot = -32.0943578040898 +243000 ekin = 2.88784895332253 | erot = 4.01063377556442 | epot = -39.2721844581366 | etot = -32.3737017292496 +244000 ekin = 2.72034159299267 | erot = 3.9497078953668 | epot = -39.2969463203695 | etot = -32.62689683201 +245000 ekin = 2.73288139378783 | erot = 4.29552525608627 | epot = -39.3467303394195 | etot = -32.3183236895454 +246000 ekin = 2.68282749729218 | erot = 4.43958709181175 | epot = -39.4036850899301 | etot = -32.2812705008262 +247000 ekin = 2.73156079717717 | erot = 4.29997633507683 | epot = -39.4831744493476 | etot = -32.4516373170936 +248000 ekin = 2.71615239962776 | erot = 4.48384110145867 | epot = -39.5625690361122 | etot = -32.3625755350257 +249000 ekin = 2.72571373834881 | erot = 4.5335019483569 | epot = -39.6161562336935 | etot = -32.3569405469878 +250000 ekin = 2.67302825179683 | erot = 5.17929377782009 | epot = -39.6758534551748 | etot = -31.8235314255579 +251000 ekin = 2.6507365898703 | erot = 5.39364408144172 | epot = -39.7013652486056 | etot = -31.6569845772935 +252000 ekin = 2.81604561937354 | erot = 5.50799647083842 | epot = -39.6939189845586 | etot = -31.3698768943466 +253000 ekin = 2.83629985586585 | erot = 4.91166111825379 | epot = -39.6825773475315 | etot = -31.9346163734119 +254000 ekin = 2.79908189634044 | erot = 4.88281944777383 | epot = -39.6620010988144 | etot = -31.9800997547001 +255000 ekin = 2.84238496514409 | erot = 4.79166487708097 | epot = -39.6680683880925 | etot = -32.0340185458674 +256000 ekin = 2.82611571908347 | erot = 4.38756969310712 | epot = -39.7220228798985 | etot = -32.5083374677079 +257000 ekin = 2.78077325096871 | erot = 4.5642639453855 | epot = -39.7657957602323 | etot = -32.420758563878 +258000 ekin = 2.84466353932841 | erot = 4.94939241805645 | epot = -39.7743058264474 | etot = -31.9802498690625 +259000 ekin = 2.82994372921754 | erot = 4.84156348043289 | epot = -39.7845084321782 | etot = -32.1130012225278 +260000 ekin = 2.84769599243485 | erot = 4.63369709433921 | epot = -39.8060470464454 | etot = -32.3246539596713 +261000 ekin = 2.87237157835352 | erot = 4.51865061212279 | epot = -39.7979847736537 | etot = -32.4069625831774 +262000 ekin = 2.96750612225965 | erot = 4.57561390426948 | epot = -39.7782660470083 | etot = -32.2351460204792 +263000 ekin = 2.9928936584238 | erot = 4.20953311292943 | epot = -39.7453211677642 | etot = -32.542894396411 +264000 ekin = 3.02610258005868 | erot = 4.41804994162532 | epot = -39.7005266944526 | etot = -32.2563741727686 +265000 ekin = 3.02210011112739 | erot = 4.29011549844082 | epot = -39.6578667285885 | etot = -32.3456511190202 +266000 ekin = 2.9552602997359 | erot = 3.9722013360736 | epot = -39.586314373395 | etot = -32.6588527375855 +267000 ekin = 2.96306286479368 | erot = 4.39982365552042 | epot = -39.5117362736935 | etot = -32.1488497533794 +268000 ekin = 2.98837918599768 | erot = 4.59043107838106 | epot = -39.4346030266013 | etot = -31.8557927622225 +269000 ekin = 2.92733730866694 | erot = 4.81492520489307 | epot = -39.3017884762547 | etot = -31.5595259626947 +270000 ekin = 2.90335610024247 | erot = 4.98515255872076 | epot = -39.1437745457484 | etot = -31.2552658867851 +271000 ekin = 2.87611923369216 | erot = 5.02631285080427 | epot = -38.9919498909516 | etot = -31.0895178064552 +272000 ekin = 2.8777026077458 | erot = 4.83651556609768 | epot = -38.8408093950138 | etot = -31.1265912211703 +273000 ekin = 2.77329089721161 | erot = 4.69693225863749 | epot = -38.6610493537941 | etot = -31.190826197945 +274000 ekin = 2.68625637002646 | erot = 4.51669986790578 | epot = -38.450972898294 | etot = -31.2480166603618 +275000 ekin = 2.6033032445429 | erot = 4.20171703621303 | epot = -38.2182499356279 | etot = -31.413229654872 +276000 ekin = 2.57183076311405 | erot = 3.79152446287658 | epot = -38.0174336495132 | etot = -31.6540784235226 +277000 ekin = 2.49975386368552 | erot = 3.59614150828643 | epot = -37.8474968832234 | etot = -31.7516015112514 +278000 ekin = 2.46398069339692 | erot = 3.65098267442651 | epot = -37.6582057642292 | etot = -31.5432423964058 +279000 ekin = 2.48339824565301 | erot = 3.67548575635043 | epot = -37.5048702413578 | etot = -31.3459862393543 +280000 ekin = 2.53376634761115 | erot = 3.55656380463993 | epot = -37.3937621487775 | etot = -31.3034319965264 +281000 ekin = 2.67002406168555 | erot = 3.81689537677439 | epot = -37.3207483356567 | etot = -30.8338288971967 +282000 ekin = 2.63534042744469 | erot = 3.62617225051201 | epot = -37.2561498174831 | etot = -30.9946371395264 +283000 ekin = 2.6220496059321 | erot = 3.60063437351299 | epot = -37.1865464899412 | etot = -30.9638625104961 +284000 ekin = 2.67681575008794 | erot = 3.61566503901023 | epot = -37.1459845078296 | etot = -30.8535037187314 +285000 ekin = 2.71360352201128 | erot = 3.48822466196441 | epot = -37.1436040722677 | etot = -30.941775888292 +286000 ekin = 2.72409949367879 | erot = 3.69046973300079 | epot = -37.1515114688671 | etot = -30.7369422421875 +287000 ekin = 2.78141221541732 | erot = 3.56169254019539 | epot = -37.1836412585713 | etot = -30.8405365029586 +288000 ekin = 2.93111949257226 | erot = 3.8525227571685 | epot = -37.2722312757955 | etot = -30.4885890260548 +289000 ekin = 3.22039073654125 | erot = 3.65796134125549 | epot = -37.4105935842029 | etot = -30.5322415064062 +290000 ekin = 3.45543672952192 | erot = 3.63587074171854 | epot = -37.5601919395408 | etot = -30.4688844683004 +291000 ekin = 3.52760878967926 | erot = 4.20430698093698 | epot = -37.7322836777775 | etot = -30.0003679071612 +292000 ekin = 3.68972381818942 | erot = 4.12076553978665 | epot = -37.9100323199299 | etot = -30.0995429619539 +293000 ekin = 3.83177225674892 | erot = 4.37726484522697 | epot = -38.0821109906697 | etot = -29.8730738886939 +294000 ekin = 4.06640459910211 | erot = 3.74462680595297 | epot = -38.1926156973085 | etot = -30.3815842922535 +295000 ekin = 4.21784736111078 | erot = 3.82616484716752 | epot = -38.2890286287625 | etot = -30.2450164204842 +296000 ekin = 4.26440738773668 | erot = 3.95694734709923 | epot = -38.3824567525616 | etot = -30.1611020177257 +297000 ekin = 4.04618321058719 | erot = 4.11344152769709 | epot = -38.4823151027027 | etot = -30.3226903644185 +298000 ekin = 4.04534420229663 | erot = 4.08413503201891 | epot = -38.5648464298591 | etot = -30.4353671955436 +299000 ekin = 4.0589099673587 | erot = 4.75454163668515 | epot = -38.639463237644 | etot = -29.8260116336001 +300000 ekin = 4.06355522455796 | erot = 4.46292256841625 | epot = -38.7062117520832 | etot = -30.179733959109 +301000 ekin = 4.01853385887688 | erot = 4.67242188374982 | epot = -38.7555551980343 | etot = -30.0645994554076 +302000 ekin = 3.97170308302913 | erot = 4.62245717998414 | epot = -38.7884989680142 | etot = -30.194338705001 +303000 ekin = 4.00670279913523 | erot = 4.89772983741929 | epot = -38.799236313657 | etot = -29.8948036771024 +304000 ekin = 3.81374525151692 | erot = 4.6538936598735 | epot = -38.8327396351166 | etot = -30.3651007237262 +305000 ekin = 3.70792918499072 | erot = 4.53646691129901 | epot = -38.8671341843092 | etot = -30.6227380880195 +306000 ekin = 3.58519135856873 | erot = 4.40317156262038 | epot = -38.8961174826077 | etot = -30.9077545614186 +307000 ekin = 3.52830601019332 | erot = 4.12955816022909 | epot = -38.9381266871201 | etot = -31.2802625166977 +308000 ekin = 3.37444573697916 | erot = 3.65266283146942 | epot = -38.9820449321945 | etot = -31.9549363637459 +309000 ekin = 3.29877896595905 | erot = 4.06788139443827 | epot = -39.0365696198577 | etot = -31.6699092594604 +310000 ekin = 3.27216182566108 | erot = 3.86752279813189 | epot = -39.0649343092171 | etot = -31.9252496854241 +311000 ekin = 3.26050147382307 | erot = 3.90928978323579 | epot = -39.0580520931933 | etot = -31.8882608361345 +312000 ekin = 3.1848300908952 | erot = 3.90959546619215 | epot = -39.0257212693578 | etot = -31.9312957122705 +313000 ekin = 3.09609326591794 | erot = 3.75025646421268 | epot = -38.9535227577836 | etot = -32.107173027653 +314000 ekin = 2.95184537018541 | erot = 4.07381717812352 | epot = -38.8888909934781 | etot = -31.8632284451692 +315000 ekin = 2.92238623527564 | erot = 3.96815066682756 | epot = -38.8370494801766 | etot = -31.9465125780734 +316000 ekin = 2.71301507861594 | erot = 3.8080797893295 | epot = -38.7998345743978 | etot = -32.2787397064523 +317000 ekin = 2.71357150367643 | erot = 4.15190966526588 | epot = -38.7626719044114 | etot = -31.8971907354691 +318000 ekin = 2.62158267835355 | erot = 4.27134701113463 | epot = -38.7271070788674 | etot = -31.8341773893792 +319000 ekin = 2.55366548062856 | erot = 4.41350408683224 | epot = -38.7297464727615 | etot = -31.7625769053007 +320000 ekin = 2.4339724053854 | erot = 4.29070167476865 | epot = -38.7203908826319 | etot = -31.9957168024778 +321000 ekin = 2.40916961938935 | erot = 4.08120981437149 | epot = -38.7041016741434 | etot = -32.2137222403825 +322000 ekin = 2.40921951438688 | erot = 3.84656254092896 | epot = -38.6896664254557 | etot = -32.4338843701398 +323000 ekin = 2.47763175846145 | erot = 3.74024157191546 | epot = -38.6582034756257 | etot = -32.4403301452488 +324000 ekin = 2.50557286685252 | erot = 3.62726015904503 | epot = -38.6277589097221 | etot = -32.4949258838246 +325000 ekin = 2.46128003790462 | erot = 3.30955838055067 | epot = -38.61822105265 | etot = -32.8473826341947 +326000 ekin = 2.50360422224121 | erot = 3.11309077075955 | epot = -38.6155228491476 | etot = -32.9988278561469 +327000 ekin = 2.58559564340003 | erot = 3.03172964208493 | epot = -38.6235874334491 | etot = -33.0062621479641 +328000 ekin = 2.74984266079838 | erot = 3.02808338407911 | epot = -38.6550386035093 | etot = -32.8771125586319 +329000 ekin = 2.91966436364505 | erot = 2.9714434817756 | epot = -38.682045485323 | etot = -32.7909376399024 +330000 ekin = 3.01494295487819 | erot = 3.4413838499053 | epot = -38.7383158304585 | etot = -32.281989025675 +331000 ekin = 3.02442201542022 | erot = 3.78657407910222 | epot = -38.7939596216319 | etot = -31.9829635271095 +332000 ekin = 3.04445691127431 | erot = 3.82788901953126 | epot = -38.8517978078765 | etot = -31.9794518770709 +333000 ekin = 3.03465557138393 | erot = 3.68623317701479 | epot = -38.9019287356725 | etot = -32.1810399872737 +334000 ekin = 2.9809147586341 | erot = 3.87909097065051 | epot = -38.9429458678103 | etot = -32.0829401385257 +335000 ekin = 3.18730692360922 | erot = 3.92298153235814 | epot = -38.9915367606723 | etot = -31.8812483047049 +336000 ekin = 3.28082580011875 | erot = 4.25501923477967 | epot = -39.038294903881 | etot = -31.5024498689825 +337000 ekin = 3.33075954016491 | erot = 4.58632261209059 | epot = -39.0662594017921 | etot = -31.1491772495366 +338000 ekin = 3.31328438683341 | erot = 4.17966745642972 | epot = -39.0415239975115 | etot = -31.5485721542484 +339000 ekin = 3.33917527804132 | erot = 4.28130062815465 | epot = -38.9842917012714 | etot = -31.3638157950754 +340000 ekin = 3.33492148280264 | erot = 4.35651035139105 | epot = -38.8943885223068 | etot = -31.2029566881131 +341000 ekin = 3.3461417209637 | erot = 4.05115720989158 | epot = -38.7823758155587 | etot = -31.3850768847035 +342000 ekin = 3.34251507796689 | erot = 4.42814474655732 | epot = -38.6331517957714 | etot = -30.8624919712472 +343000 ekin = 3.20631341754623 | erot = 3.78967989344565 | epot = -38.4960486393224 | etot = -31.5000553283305 +344000 ekin = 3.07148244251166 | erot = 3.87583965670226 | epot = -38.3948328820768 | etot = -31.4475107828629 +345000 ekin = 3.09789874291718 | erot = 3.9946056524089 | epot = -38.3201974875894 | etot = -31.2276930922633 +346000 ekin = 3.0250008126834 | erot = 3.91508207831934 | epot = -38.2750630613601 | etot = -31.3349801703574 +347000 ekin = 2.94406849477781 | erot = 3.86229670162422 | epot = -38.2289722622904 | etot = -31.4226070658884 +348000 ekin = 2.95641250006446 | erot = 3.72625853383758 | epot = -38.1919210104045 | etot = -31.5092499765025 +349000 ekin = 3.03918076184492 | erot = 3.94202050743572 | epot = -38.1810668298085 | etot = -31.1998655605279 +350000 ekin = 3.09062612520409 | erot = 3.91215331884796 | epot = -38.2023245264387 | etot = -31.1995450823866 +351000 ekin = 3.13831719496483 | erot = 3.99916602553205 | epot = -38.2111529945909 | etot = -31.073669774094 +352000 ekin = 3.10196313130359 | erot = 3.92254342354132 | epot = -38.2543166357449 | etot = -31.2298100809 +353000 ekin = 3.17266611312447 | erot = 3.8947350963975 | epot = -38.3205511283306 | etot = -31.2531499188087 +354000 ekin = 3.20288707130899 | erot = 4.38957454856388 | epot = -38.3888699269269 | etot = -30.7964083070541 +355000 ekin = 3.15965957595978 | erot = 4.27393537405648 | epot = -38.4369161779509 | etot = -31.0033212279347 +356000 ekin = 3.01967844026133 | erot = 4.46559381130412 | epot = -38.4622452099032 | etot = -30.9769729583378 +357000 ekin = 2.97836465744991 | erot = 4.24123654484996 | epot = -38.4340474220208 | etot = -31.214446219721 +358000 ekin = 2.90298621775697 | erot = 4.00214290087714 | epot = -38.3669225243922 | etot = -31.4617934057581 +359000 ekin = 2.89703951576617 | erot = 3.75540528896971 | epot = -38.2596281019021 | etot = -31.6071832971662 +360000 ekin = 2.8951746897939 | erot = 3.69844688179068 | epot = -38.1408983158929 | etot = -31.5472767443083 +361000 ekin = 2.80138616808281 | erot = 3.38323529451493 | epot = -38.0246589917389 | etot = -31.8400375291412 +362000 ekin = 2.77162168417597 | erot = 2.91331523066534 | epot = -37.9398868290147 | etot = -32.2549499141734 +363000 ekin = 2.78539815378419 | erot = 2.68460040337592 | epot = -37.8665635409936 | etot = -32.3965649838335 +364000 ekin = 2.68067812192279 | erot = 2.78677391239245 | epot = -37.7617899033782 | etot = -32.2943378690629 +365000 ekin = 2.54070043685867 | erot = 2.83653994835764 | epot = -37.6554311404473 | etot = -32.278190755231 +366000 ekin = 2.41606481092133 | erot = 2.86609766611194 | epot = -37.5516282283376 | etot = -32.2694657513043 +367000 ekin = 2.46811866465482 | erot = 3.34221140329001 | epot = -37.4475028758825 | etot = -31.6371728079377 +368000 ekin = 2.42926223365496 | erot = 3.33046663396731 | epot = -37.3674460967944 | etot = -31.6077172291721 +369000 ekin = 2.43816169312797 | erot = 3.26459431026922 | epot = -37.3019788371043 | etot = -31.5992228337071 +370000 ekin = 2.46038177337534 | erot = 3.10066469966258 | epot = -37.2626057339964 | etot = -31.7015592609585 +371000 ekin = 2.4406243852624 | erot = 2.87778487491552 | epot = -37.2539180634396 | etot = -31.9355088032617 +372000 ekin = 2.41196438326736 | erot = 3.07515188922142 | epot = -37.3089635753533 | etot = -31.8218473028645 +373000 ekin = 2.48050565170792 | erot = 3.18196875652289 | epot = -37.4397878357734 | etot = -31.7773134275426 +374000 ekin = 2.6353068806194 | erot = 3.59156982435214 | epot = -37.5884648424034 | etot = -31.3615881374319 +375000 ekin = 2.68283894448276 | erot = 3.32451084068228 | epot = -37.7715422578283 | etot = -31.7641924726633 +376000 ekin = 2.79488034579927 | erot = 3.22988532668866 | epot = -38.000903910215 | etot = -31.976138237727 +377000 ekin = 2.97793932778653 | erot = 3.14879447385383 | epot = -38.2360750185569 | etot = -32.1093412169166 +378000 ekin = 3.04959845592839 | erot = 3.49481966296078 | epot = -38.5013695235685 | etot = -31.9569514046793 +379000 ekin = 3.1910641072712 | erot = 3.36561045250094 | epot = -38.7688607813369 | etot = -32.2121862215648 +380000 ekin = 3.25183572215737 | erot = 3.58875776192786 | epot = -39.0288452181145 | etot = -32.1882517340293 +381000 ekin = 3.33794215221605 | erot = 3.6933917756671 | epot = -39.3017064605084 | etot = -32.2703725326252 +382000 ekin = 3.49270190624151 | erot = 3.86829998834037 | epot = -39.5268729273467 | etot = -32.1658710327648 +383000 ekin = 3.55662169084786 | erot = 3.53333329088014 | epot = -39.7267791075158 | etot = -32.6368241257878 +384000 ekin = 3.69351012028553 | erot = 3.28268730044342 | epot = -39.878987472358 | etot = -32.9027900516291 +385000 ekin = 3.6873370603751 | erot = 3.68055641648018 | epot = -39.9998839253488 | etot = -32.6319904484935 +386000 ekin = 3.71694831249288 | erot = 3.79434784508072 | epot = -40.0869801892987 | etot = -32.5756840317251 +387000 ekin = 3.76861509268675 | erot = 3.88558369375098 | epot = -40.1715737743674 | etot = -32.5173749879297 +388000 ekin = 3.83017606883369 | erot = 4.20859412334364 | epot = -40.2007323597246 | etot = -32.1619621675473 +389000 ekin = 3.86768485031755 | erot = 3.99003783907115 | epot = -40.1899129305041 | etot = -32.3321902411154 +390000 ekin = 3.97485559059836 | erot = 3.73907035926323 | epot = -40.1534652302145 | etot = -32.4395392803529 +391000 ekin = 3.99255423920733 | erot = 3.4598541410162 | epot = -40.0955220791988 | etot = -32.6431136989752 +392000 ekin = 4.01983776245659 | erot = 3.68425742647522 | epot = -39.9999647918603 | etot = -32.2958696029285 +393000 ekin = 4.02356764424238 | erot = 3.83787437414739 | epot = -39.8549016020689 | etot = -31.9934595836791 +394000 ekin = 3.93980876114311 | erot = 3.99211744164141 | epot = -39.7011477670265 | etot = -31.769221564242 +395000 ekin = 4.11174368478708 | erot = 3.75033473410268 | epot = -39.5451859148434 | etot = -31.6831074959536 +396000 ekin = 4.20376876107151 | erot = 3.67040632781378 | epot = -39.3948809980869 | etot = -31.5207059092016 +397000 ekin = 4.1363357284298 | erot = 3.65151581957621 | epot = -39.2564297317577 | etot = -31.4685781837517 +398000 ekin = 4.13905245601608 | erot = 3.71620600673377 | epot = -39.093596770216 | etot = -31.2383383074661 +399000 ekin = 4.10332411545508 | erot = 3.71374971681594 | epot = -38.9205234935041 | etot = -31.1034496612331 +400000 ekin = 4.0676601690846 | erot = 3.4213950465438 | epot = -38.7497473150008 | etot = -31.2606920993724 +401000 ekin = 3.9728416411198 | erot = 3.81120481171758 | epot = -38.6001977504162 | etot = -30.8161512975788 +402000 ekin = 3.90587383547448 | erot = 3.5341882621858 | epot = -38.4681757167875 | etot = -31.0281136191273 +403000 ekin = 3.91259869514543 | erot = 3.637386391841 | epot = -38.3230308363683 | etot = -30.7730457493819 +404000 ekin = 3.79936006877817 | erot = 3.32641249272551 | epot = -38.2009092385688 | etot = -31.0751366770651 +405000 ekin = 3.82517596801147 | erot = 3.13064904024263 | epot = -38.1553776059003 | etot = -31.1995525976462 +406000 ekin = 3.73725599382596 | erot = 3.08306268157758 | epot = -38.1316917306566 | etot = -31.3113730552531 +407000 ekin = 3.72651775045891 | erot = 3.09861818078628 | epot = -38.1634910279952 | etot = -31.33835509675 +408000 ekin = 3.79931976439455 | erot = 3.25718386016379 | epot = -38.2217683212397 | etot = -31.1652646966813 +409000 ekin = 3.95093187918723 | erot = 3.43950409776017 | epot = -38.2689453197332 | etot = -30.8785093427858 +410000 ekin = 4.07121708138893 | erot = 3.83760071106065 | epot = -38.3189798432044 | etot = -30.4101620507548 +411000 ekin = 4.2330797855817 | erot = 3.98162063698068 | epot = -38.3721329673505 | etot = -30.1574325447882 +412000 ekin = 4.24117080814308 | erot = 3.9973719347696 | epot = -38.4124767699444 | etot = -30.1739340270317 +413000 ekin = 4.23580670923557 | erot = 3.81064398502802 | epot = -38.4212920990953 | etot = -30.3748414048317 +414000 ekin = 4.27445938143094 | erot = 3.98124541320507 | epot = -38.4106571527343 | etot = -30.1549523580983 +415000 ekin = 4.388994790051 | erot = 3.80279226112407 | epot = -38.3596783722966 | etot = -30.1678913211216 +416000 ekin = 4.45628965411069 | erot = 3.63102956113301 | epot = -38.3042311126169 | etot = -30.2169118973732 +417000 ekin = 4.49028461121071 | erot = 3.62754419666011 | epot = -38.2583198089302 | etot = -30.1404910010594 +418000 ekin = 4.45936601962006 | erot = 3.71144506663867 | epot = -38.1813464675299 | etot = -30.0105353812712 +419000 ekin = 4.38379837521009 | erot = 3.33513327030929 | epot = -38.0724868069421 | etot = -30.3535551614227 +420000 ekin = 4.283111933024 | erot = 3.09826419668627 | epot = -37.9370678690099 | etot = -30.5556917392996 +421000 ekin = 4.15248097510599 | erot = 3.56237827808249 | epot = -37.7709210423884 | etot = -30.0560617891999 +422000 ekin = 3.95490687211586 | erot = 3.47480957997355 | epot = -37.5854884820711 | etot = -30.1557720299817 +423000 ekin = 3.91714305790352 | erot = 3.48476286323411 | epot = -37.3949936437695 | etot = -29.9930877226319 +424000 ekin = 3.84213202460282 | erot = 3.52777059768047 | epot = -37.2158434462619 | etot = -29.8459408239786 +425000 ekin = 3.71924289661379 | erot = 3.3366360966062 | epot = -37.0722526001231 | etot = -30.0163736069031 +426000 ekin = 3.64441997260638 | erot = 3.3622793544102 | epot = -36.9667678357552 | etot = -29.9600685087386 +427000 ekin = 3.75655721345773 | erot = 3.37897054079372 | epot = -36.8611280898054 | etot = -29.725600335554 +428000 ekin = 3.74409443646511 | erot = 3.17732872354239 | epot = -36.742715037602 | etot = -29.8212918775945 +429000 ekin = 3.66329028317848 | erot = 2.78764787478689 | epot = -36.6486255145436 | etot = -30.1976873565782 +430000 ekin = 3.62135290496431 | erot = 2.67337975160585 | epot = -36.5606041515419 | etot = -30.2658714949718 +431000 ekin = 3.61616361793039 | erot = 2.69754710014207 | epot = -36.506732939117 | etot = -30.1930222210445 +432000 ekin = 3.49552617760814 | erot = 3.08491352170466 | epot = -36.485170074763 | etot = -29.9047303754502 +433000 ekin = 3.58020816083934 | erot = 2.88002256286323 | epot = -36.5217696117553 | etot = -30.0615388880528 +434000 ekin = 3.59867849318961 | erot = 3.08407973313556 | epot = -36.6202495320039 | etot = -29.9374913056787 +435000 ekin = 3.67331527289028 | erot = 3.42657552434431 | epot = -36.7488916307825 | etot = -29.6490008335479 +436000 ekin = 3.82088042289265 | erot = 3.6544744236991 | epot = -36.9085622220518 | etot = -29.4332073754601 +437000 ekin = 3.8686942167376 | erot = 3.9547028707988 | epot = -37.0720316005958 | etot = -29.2486345130594 +438000 ekin = 4.11090595842079 | erot = 3.77540801446856 | epot = -37.2088542252226 | etot = -29.3225402523332 +439000 ekin = 4.12926159073598 | erot = 4.06917140325898 | epot = -37.3517590512211 | etot = -29.1533260572261 +440000 ekin = 4.09029177261519 | erot = 4.1498129956529 | epot = -37.4912988817269 | etot = -29.2511941134589 +441000 ekin = 4.14485979348676 | erot = 4.37283240826401 | epot = -37.6181493098546 | etot = -29.1004571081038 +442000 ekin = 4.12304009572835 | erot = 4.39045893698218 | epot = -37.7155315750663 | etot = -29.2020325423558 +443000 ekin = 4.23471751438722 | erot = 4.14989601608929 | epot = -37.768614271265 | etot = -29.3840007407884 +444000 ekin = 4.35772646838213 | erot = 4.52232474512896 | epot = -37.7816885908051 | etot = -28.901637377294 +445000 ekin = 4.39118784053251 | erot = 4.66570824296103 | epot = -37.7439950146597 | etot = -28.6870989311661 +446000 ekin = 4.3967592176502 | erot = 4.46936063153373 | epot = -37.6960851354907 | etot = -28.8299652863068 +447000 ekin = 4.35336664890431 | erot = 4.44173113672768 | epot = -37.6140263912413 | etot = -28.8189286056093 +448000 ekin = 4.28498441172967 | erot = 4.19781838322426 | epot = -37.5090341348628 | etot = -29.0262313399088 +449000 ekin = 4.31763982219639 | erot = 4.52832551746767 | epot = -37.408401745433 | etot = -28.562436405769 +450000 ekin = 4.34138928411246 | erot = 4.4425856403743 | epot = -37.3062489259439 | etot = -28.5222740014571 +451000 ekin = 4.30985185878589 | erot = 4.23825662962939 | epot = -37.1459619150062 | etot = -28.5978534265909 +452000 ekin = 4.32592045036082 | erot = 3.86602766630272 | epot = -36.9847035634509 | etot = -28.7927554467874 +453000 ekin = 4.32845268851047 | erot = 3.54171363095611 | epot = -36.8340779762826 | etot = -28.963911656816 +454000 ekin = 4.31011457813686 | erot = 3.79537837348586 | epot = -36.7199830616561 | etot = -28.6144901100334 +455000 ekin = 4.29550433639196 | erot = 3.85241036204662 | epot = -36.6489739160373 | etot = -28.5010592175987 +456000 ekin = 4.37032742709179 | erot = 4.00721124204766 | epot = -36.6190063800959 | etot = -28.2414677109564 +457000 ekin = 4.3642647028677 | erot = 3.8563715204494 | epot = -36.5969553476855 | etot = -28.3763191243684 +458000 ekin = 4.32567014378598 | erot = 3.50123530464571 | epot = -36.5630453883139 | etot = -28.7361399398822 +459000 ekin = 4.38933815738648 | erot = 3.57401843708542 | epot = -36.5693343587045 | etot = -28.6059777642326 +460000 ekin = 4.31317855607471 | erot = 4.09613513000604 | epot = -36.622903135654 | etot = -28.2135894495732 +461000 ekin = 4.31811012640158 | erot = 4.38273826542212 | epot = -36.7024780237704 | etot = -28.0016296319467 +462000 ekin = 4.3366863876999 | erot = 4.51374491218818 | epot = -36.8227361919452 | etot = -27.9723048920571 +463000 ekin = 4.27564269849647 | erot = 4.86202296781308 | epot = -36.9415310835087 | etot = -27.8038654171991 +464000 ekin = 4.2570485657353 | erot = 4.74085846897254 | epot = -37.0390079052473 | etot = -28.0411008705395 +465000 ekin = 4.27536374407081 | erot = 4.49932366093901 | epot = -37.1090432428535 | etot = -28.3343558378437 +466000 ekin = 4.30607368146059 | erot = 4.23786653917903 | epot = -37.1491605127939 | etot = -28.6052202921542 +467000 ekin = 4.24919786200451 | erot = 4.12771930877703 | epot = -37.1714598423966 | etot = -28.7945426716151 +468000 ekin = 4.39683218085583 | erot = 3.85228521386554 | epot = -37.2088712844975 | etot = -28.9597538897762 +469000 ekin = 4.64124419278975 | erot = 3.80754439193715 | epot = -37.2767302220321 | etot = -28.8279416373053 +470000 ekin = 4.66178408905666 | erot = 3.92065938428506 | epot = -37.3876740781877 | etot = -28.805230604846 +471000 ekin = 4.75392904131979 | erot = 4.24739494727089 | epot = -37.5007122646076 | etot = -28.499388276017 +472000 ekin = 4.78287126449286 | erot = 4.29738258008787 | epot = -37.5977046601012 | etot = -28.5174508155204 +473000 ekin = 4.83746609770177 | erot = 4.38666527032479 | epot = -37.6671790710827 | etot = -28.4430477030562 +474000 ekin = 4.79054197671375 | erot = 4.34169424272135 | epot = -37.6856820094294 | etot = -28.5534457899944 +475000 ekin = 4.83235787688145 | erot = 4.2178840657501 | epot = -37.6508263787863 | etot = -28.6005844361548 +476000 ekin = 4.77650421806816 | erot = 4.23519664592594 | epot = -37.5559363402038 | etot = -28.5442354762097 +477000 ekin = 4.70149228687156 | erot = 3.9495520600404 | epot = -37.4316333722385 | etot = -28.7805890253266 +478000 ekin = 4.6582861234462 | erot = 3.52306589214545 | epot = -37.3056353897914 | etot = -29.1242833741998 +479000 ekin = 4.49034904671764 | erot = 3.69691237093671 | epot = -37.1645007343035 | etot = -28.9772393166492 +480000 ekin = 4.42035953830882 | erot = 3.62614880736061 | epot = -36.985533653495 | etot = -28.9390253078256 +481000 ekin = 4.29236052675561 | erot = 3.46283113670748 | epot = -36.7788376766182 | etot = -29.0236460131551 +482000 ekin = 4.24695006747712 | erot = 3.64617122659712 | epot = -36.5783264764334 | etot = -28.6852051823592 +483000 ekin = 4.27724439911408 | erot = 3.65906944039053 | epot = -36.4031794376631 | etot = -28.4668655981585 +484000 ekin = 4.2785974211618 | erot = 3.80998418987602 | epot = -36.2601336102697 | etot = -28.1715519992319 +485000 ekin = 4.2129183719994 | erot = 3.84278230442229 | epot = -36.1415033158633 | etot = -28.0858026394416 +486000 ekin = 3.98392526407069 | erot = 3.69687119417301 | epot = -36.0420007851878 | etot = -28.3612043269441 +487000 ekin = 3.87685523954233 | erot = 3.52087214489101 | epot = -35.979017993688 | etot = -28.5812906092547 +488000 ekin = 3.74675884240033 | erot = 3.80072807053011 | epot = -35.9652058586036 | etot = -28.4177189456731 +489000 ekin = 3.61099051841836 | erot = 4.09702697313296 | epot = -35.988768679933 | etot = -28.2807511883817 +490000 ekin = 3.72073699277812 | erot = 3.89157882585036 | epot = -36.0103724524786 | etot = -28.3980566338501 +491000 ekin = 3.72740917275109 | erot = 4.01795497893011 | epot = -36.0292354570355 | etot = -28.2838713053543 +492000 ekin = 3.67547789628851 | erot = 3.85969822517323 | epot = -36.0430681478951 | etot = -28.5078920264333 +493000 ekin = 3.65198421841216 | erot = 3.75518718738367 | epot = -36.0824152706774 | etot = -28.6752438648816 +494000 ekin = 3.48528219984848 | erot = 3.81535508778541 | epot = -36.142371045584 | etot = -28.8417337579501 +495000 ekin = 3.31359070882194 | erot = 4.11558724766118 | epot = -36.226868438371 | etot = -28.7976904818878 +496000 ekin = 3.27798311005954 | erot = 3.88806115727325 | epot = -36.3363270902382 | etot = -29.1702828229054 +497000 ekin = 3.23000081873801 | erot = 4.53153851783412 | epot = -36.4817201831143 | etot = -28.7201808465422 +498000 ekin = 3.35490986062519 | erot = 4.76314991175258 | epot = -36.6514686581239 | etot = -28.5334088857461 +499000 ekin = 3.39102564180484 | erot = 4.99058516868931 | epot = -36.8025368986549 | etot = -28.4209260881608 +500000 ekin = 3.44319922277983 | erot = 4.29432196305735 | epot = -36.9177193599233 | etot = -29.1801981740861 +501000 ekin = 3.47746008955494 | erot = 4.28994173802794 | epot = -37.0187053512326 | etot = -29.2513035236497 +502000 ekin = 3.58696948456737 | erot = 4.55410136617397 | epot = -37.1018103829438 | etot = -28.9607395322024 +503000 ekin = 3.68317380855577 | erot = 4.60652443433627 | epot = -37.1620776601797 | etot = -28.8723794172877 +504000 ekin = 3.6885205301443 | erot = 4.67783023002248 | epot = -37.2052759454199 | etot = -28.8389251852531 +505000 ekin = 3.88723268453857 | erot = 4.53079850437648 | epot = -37.2950608294682 | etot = -28.8770296405532 +506000 ekin = 3.80925396925157 | erot = 4.47086505886196 | epot = -37.3479933337837 | etot = -29.0678743056702 +507000 ekin = 3.73248519551987 | erot = 4.21393839264126 | epot = -37.4256513139283 | etot = -29.4792277257672 +508000 ekin = 3.8067276018406 | erot = 3.9370807937698 | epot = -37.4951091449467 | etot = -29.7513007493363 +509000 ekin = 3.8008699116461 | erot = 3.74333566662482 | epot = -37.5406480313394 | etot = -29.9964424530685 +510000 ekin = 3.89850649197984 | erot = 3.97775581109479 | epot = -37.5934385426631 | etot = -29.7171762395885 +511000 ekin = 3.81393185765474 | erot = 4.00469160928629 | epot = -37.6349932199755 | etot = -29.8163697530345 +512000 ekin = 3.76843962846378 | erot = 4.34524756747803 | epot = -37.6787808921542 | etot = -29.5650936962124 +513000 ekin = 3.70769437024756 | erot = 4.19222442242662 | epot = -37.7114576947708 | etot = -29.8115389020966 +514000 ekin = 3.65606306228185 | erot = 4.64296237641009 | epot = -37.7095823242884 | etot = -29.4105568855964 +515000 ekin = 3.50522818557459 | erot = 4.47916848114082 | epot = -37.6783049637299 | etot = -29.6939082970145 +516000 ekin = 3.59266443877116 | erot = 5.02978018029486 | epot = -37.647700985069 | etot = -29.0252563660029 +517000 ekin = 3.53729866959076 | erot = 4.95641997732809 | epot = -37.6445412669913 | etot = -29.1508226200724 +518000 ekin = 3.5534169530515 | erot = 4.5751245967427 | epot = -37.6532745224311 | etot = -29.5247329726369 +519000 ekin = 3.61605940841979 | erot = 4.59842321288977 | epot = -37.7181887221252 | etot = -29.5037061008156 +520000 ekin = 3.6600358073691 | erot = 4.52802897844129 | epot = -37.8184531846625 | etot = -29.6303883988521 +521000 ekin = 3.57990395101953 | erot = 4.58686564429516 | epot = -37.9529160430904 | etot = -29.7861464477757 +522000 ekin = 3.587210173505 | erot = 4.78958389957781 | epot = -38.1056938634056 | etot = -29.7288997903228 +523000 ekin = 3.74553748952041 | erot = 4.82242710318173 | epot = -38.2496598519462 | etot = -29.6816952592441 +524000 ekin = 3.83672965572981 | erot = 5.17806255755526 | epot = -38.3420385705453 | etot = -29.3272463572603 +525000 ekin = 3.97426514986081 | erot = 5.13820563111665 | epot = -38.4306455211978 | etot = -29.3181747402203 +526000 ekin = 4.03278131821155 | erot = 4.61480893928533 | epot = -38.4813375347265 | etot = -29.8337472772296 +527000 ekin = 4.15303805139346 | erot = 4.03339974605304 | epot = -38.4813261438673 | etot = -30.2948883464208 +528000 ekin = 4.34085606106398 | erot = 3.6341604993604 | epot = -38.4621670653442 | etot = -30.4871505049199 +529000 ekin = 4.53593485604716 | erot = 3.72087643644196 | epot = -38.4175016483558 | etot = -30.1606903558667 +530000 ekin = 4.6583694532253 | erot = 3.58233700504177 | epot = -38.3861765288021 | etot = -30.145470070535 +531000 ekin = 4.66519878740331 | erot = 3.4109494773408 | epot = -38.3363103504892 | etot = -30.2601620857451 +532000 ekin = 4.80041164317301 | erot = 3.07760528500131 | epot = -38.3151265786574 | etot = -30.4371096504831 +533000 ekin = 4.73180745168962 | erot = 3.06230961560369 | epot = -38.3468719461379 | etot = -30.5527548788445 +534000 ekin = 4.77276572097031 | erot = 3.01963113043194 | epot = -38.4024212860539 | etot = -30.6100244346517 +535000 ekin = 4.85693928494795 | erot = 2.82516321047269 | epot = -38.5360450508863 | etot = -30.8539425554656 +536000 ekin = 4.79265980947601 | erot = 2.9077544610961 | epot = -38.7196748122559 | etot = -31.0192605416837 +537000 ekin = 4.86947955762472 | erot = 3.00989555981226 | epot = -38.9076102830992 | etot = -31.0282351656622 +538000 ekin = 5.00269155741137 | erot = 2.68875189029913 | epot = -39.0473675460743 | etot = -31.3559240983638 +539000 ekin = 4.98226102919755 | erot = 2.92188829969373 | epot = -39.1655668480607 | etot = -31.2614175191695 +540000 ekin = 4.99147016878249 | erot = 3.35574385805744 | epot = -39.2596960810254 | etot = -30.9124820541854 +541000 ekin = 4.92725844601457 | erot = 3.28345034188324 | epot = -39.3089899760125 | etot = -31.0982811881147 +542000 ekin = 4.77242859226878 | erot = 3.31966912230265 | epot = -39.2902384371049 | etot = -31.1981407225335 +543000 ekin = 4.65726157165108 | erot = 3.56099171692951 | epot = -39.1715392323122 | etot = -30.9532859437317 +544000 ekin = 4.75158561074898 | erot = 2.98586301386343 | epot = -39.0000211966265 | etot = -31.2625725720141 +545000 ekin = 4.71389651780209 | erot = 3.29722166624287 | epot = -38.8124009343345 | etot = -30.8012827502895 +546000 ekin = 4.59452933616222 | erot = 3.65785900566392 | epot = -38.6597531372893 | etot = -30.4073647954631 +547000 ekin = 4.49485576841334 | erot = 3.5222715668964 | epot = -38.5261493757312 | etot = -30.5090220404215 +548000 ekin = 4.49472654055116 | erot = 3.49603087938253 | epot = -38.3944216290947 | etot = -30.403664209161 +549000 ekin = 4.39213180937528 | erot = 3.5322876385525 | epot = -38.2774675964381 | etot = -30.3530481485103 +550000 ekin = 4.36283999146778 | erot = 3.787764410361 | epot = -38.2051317998102 | etot = -30.0545273979814 +551000 ekin = 4.3226010693822 | erot = 4.01133252124214 | epot = -38.1611801425639 | etot = -29.8272465519396 +552000 ekin = 4.3318351566455 | erot = 3.98124414472587 | epot = -38.1537721388025 | etot = -29.8406928374311 +553000 ekin = 4.30534974680463 | erot = 3.81209066755031 | epot = -38.1803693007093 | etot = -30.0629288863544 +554000 ekin = 4.29335219580303 | erot = 3.8021354596393 | epot = -38.2389597407396 | etot = -30.1434720852972 +555000 ekin = 4.45825549052375 | erot = 4.03672150414351 | epot = -38.3296083261043 | etot = -29.834631331437 +556000 ekin = 4.63230188756508 | erot = 3.70797489704063 | epot = -38.4795834327919 | etot = -30.1393066481862 +557000 ekin = 4.70622293985813 | erot = 4.51036732636205 | epot = -38.673884289528 | etot = -29.4572940233078 +558000 ekin = 4.70612532334171 | erot = 4.30314260207033 | epot = -38.9099036274271 | etot = -29.9006357020151 +559000 ekin = 4.85842132468142 | erot = 4.45569884582891 | epot = -39.1571701897086 | etot = -29.8430500191982 +560000 ekin = 4.84667483493845 | erot = 4.2909749826348 | epot = -39.3692871188963 | etot = -30.2316373013231 +561000 ekin = 4.93080663772518 | erot = 4.40964672372494 | epot = -39.5560309503474 | etot = -30.2155775888973 +562000 ekin = 5.02786763240476 | erot = 4.09895267825206 | epot = -39.6620959555469 | etot = -30.53527564489 +563000 ekin = 4.99483060861833 | erot = 4.56393029644419 | epot = -39.7001867829014 | etot = -30.1414258778389 +564000 ekin = 5.01292656089539 | erot = 4.46559434127762 | epot = -39.6969046345991 | etot = -30.2183837324261 +565000 ekin = 4.97924499589812 | erot = 4.5676410286713 | epot = -39.6391307119518 | etot = -30.0922446873824 +566000 ekin = 4.80472039327365 | erot = 4.49618530358125 | epot = -39.5320142538579 | etot = -30.231108557003 +567000 ekin = 4.59721417192406 | erot = 4.44898156673779 | epot = -39.3835091139998 | etot = -30.337313375338 +568000 ekin = 4.59948947791999 | erot = 4.21619266891997 | epot = -39.1697350851652 | etot = -30.3540529383253 +569000 ekin = 4.46814520025957 | erot = 4.13625120915532 | epot = -38.9496016480665 | etot = -30.3452052386516 +570000 ekin = 4.6338057410939 | erot = 3.97471689520409 | epot = -38.718728428018 | etot = -30.11020579172 +571000 ekin = 4.51646555902291 | erot = 3.77943581302538 | epot = -38.5103017941539 | etot = -30.2144004221056 +572000 ekin = 4.44329973394615 | erot = 3.73818983971042 | epot = -38.3513010282128 | etot = -30.1698114545562 +573000 ekin = 4.48138796166313 | erot = 3.67030746094229 | epot = -38.2531080005807 | etot = -30.1014125779753 +574000 ekin = 4.57372019352182 | erot = 3.64740839838085 | epot = -38.1563476897671 | etot = -29.9352190978644 +575000 ekin = 4.81962720354443 | erot = 3.58128135189792 | epot = -38.0780197446128 | etot = -29.6771111891705 +576000 ekin = 4.78739960955902 | erot = 3.1694164956898 | epot = -38.0548669136926 | etot = -30.0980508084438 +577000 ekin = 4.89624137933457 | erot = 3.37301453509222 | epot = -38.0581159208701 | etot = -29.7888600064433 +578000 ekin = 4.89993171052275 | erot = 3.39468878464195 | epot = -38.0636938795356 | etot = -29.7690733843709 +579000 ekin = 4.83297661461382 | erot = 3.08572772864728 | epot = -38.0577731810635 | etot = -30.1390688378024 +580000 ekin = 4.77298411404112 | erot = 3.09603380464131 | epot = -38.0675771405195 | etot = -30.198559221837 +581000 ekin = 4.96965435170546 | erot = 3.06610493080439 | epot = -38.0894896837322 | etot = -30.0537304012223 +582000 ekin = 4.84477580774073 | erot = 2.9927320347077 | epot = -38.1047755328767 | etot = -30.2672676904283 +583000 ekin = 4.80184612340932 | erot = 2.99121545039786 | epot = -38.0992283827672 | etot = -30.30616680896 +584000 ekin = 4.73999729115049 | erot = 2.95820256140574 | epot = -38.1193022601922 | etot = -30.421102407636 +585000 ekin = 4.62963491646152 | erot = 2.99096158598537 | epot = -38.1514766562945 | etot = -30.5308801538476 +586000 ekin = 4.66196804986673 | erot = 3.11428540249498 | epot = -38.1645218154685 | etot = -30.3882683631068 +587000 ekin = 4.58446438916328 | erot = 3.26198289890953 | epot = -38.1451310277745 | etot = -30.2986837397017 +588000 ekin = 4.59050554157104 | erot = 3.3726754228907 | epot = -38.0928945920965 | etot = -30.1297136276347 +589000 ekin = 4.52148456601111 | erot = 3.20426810396365 | epot = -38.0431145518048 | etot = -30.31736188183 +590000 ekin = 4.54292012494668 | erot = 3.17466615888884 | epot = -37.9867331121616 | etot = -30.2691468283261 +591000 ekin = 4.4671534284139 | erot = 3.30654504351686 | epot = -37.9702893954324 | etot = -30.1965909235016 +592000 ekin = 4.47491098921977 | erot = 3.6999642514398 | epot = -37.9696400527198 | etot = -29.7947648120603 +593000 ekin = 4.43506697623667 | erot = 3.70250326611386 | epot = -37.982672172325 | etot = -29.8451019299745 +594000 ekin = 4.36908136306914 | erot = 3.59308231950695 | epot = -38.0038521048194 | etot = -30.0416884222434 +595000 ekin = 4.30615021787055 | erot = 3.60547435881493 | epot = -38.0517692624258 | etot = -30.1401446857403 +596000 ekin = 4.27538703974133 | erot = 3.70718417029047 | epot = -38.1072020006232 | etot = -30.1246307905914 +597000 ekin = 4.09427835861052 | erot = 3.56040857145023 | epot = -38.1368054718235 | etot = -30.4821185417627 +598000 ekin = 4.06772969179112 | erot = 3.98852753231066 | epot = -38.1357675039157 | etot = -30.0795102798139 +599000 ekin = 4.05823661502987 | erot = 3.99204411848289 | epot = -38.094416622612 | etot = -30.0441358890992 +600000 ekin = 4.14000207696597 | erot = 3.69886036268669 | epot = -38.0126500071595 | etot = -30.1737875675069 +601000 ekin = 4.14331251606211 | erot = 4.02012885446817 | epot = -37.8931408419344 | etot = -29.7296994714041 +602000 ekin = 4.19175322865712 | erot = 3.63789752518651 | epot = -37.776838230476 | etot = -29.9471874766323 +603000 ekin = 4.17700109074307 | erot = 3.33190102346871 | epot = -37.6571796612341 | etot = -30.1482775470223 +604000 ekin = 4.32110078335233 | erot = 3.37359972635292 | epot = -37.5481087406156 | etot = -29.8534082309104 +605000 ekin = 4.40829637956691 | erot = 3.12232098209617 | epot = -37.4615593717342 | etot = -29.9309420100711 +606000 ekin = 4.50978571460466 | erot = 2.82903034171751 | epot = -37.4107566252708 | etot = -30.0719405689486 +607000 ekin = 4.64775510562427 | erot = 2.72855004395386 | epot = -37.3886864614938 | etot = -30.0123813119157 +608000 ekin = 4.62515883775198 | erot = 2.69276686565725 | epot = -37.3472679127841 | etot = -30.0293422093749 +609000 ekin = 4.58072072733855 | erot = 2.72618151323734 | epot = -37.321155518993 | etot = -30.0142532784171 +610000 ekin = 4.37064710749545 | erot = 2.94205446769438 | epot = -37.3313655411415 | etot = -30.0186639659516 +611000 ekin = 4.30243700562366 | erot = 2.94482669781544 | epot = -37.3282578261779 | etot = -30.0809941227388 +612000 ekin = 4.37982748485343 | erot = 2.81236690797516 | epot = -37.3366791579241 | etot = -30.1444847650955 +613000 ekin = 4.49298433908216 | erot = 2.9422949922611 | epot = -37.3617837170398 | etot = -29.9265043856965 +614000 ekin = 4.63192250195893 | erot = 2.81948937077719 | epot = -37.3623397651558 | etot = -29.9109278924196 +615000 ekin = 4.56431794922697 | erot = 3.04112038174076 | epot = -37.336047475673 | etot = -29.7306091447052 +616000 ekin = 4.48538645093142 | erot = 2.9863679461823 | epot = -37.2843360454655 | etot = -29.8125816483518 +617000 ekin = 4.35777724185516 | erot = 3.27046740448593 | epot = -37.2149609045279 | etot = -29.5867162581868 +618000 ekin = 4.13929013645538 | erot = 3.31436963968885 | epot = -37.1380165806135 | etot = -29.6843568044692 +619000 ekin = 3.99812604761947 | erot = 3.80697216179629 | epot = -37.0480074184855 | etot = -29.2429092090698 +620000 ekin = 3.75775297824752 | erot = 3.88935078371487 | epot = -37.0016709350122 | etot = -29.3545671730499 +621000 ekin = 3.59837254942666 | erot = 3.36974253347195 | epot = -36.957139996861 | etot = -29.9890249139623 +622000 ekin = 3.52853751549673 | erot = 3.57220920853453 | epot = -36.9826672270778 | etot = -29.8819205030465 +623000 ekin = 3.44776927445729 | erot = 3.68524482792415 | epot = -37.0520182183617 | etot = -29.9190041159803 +624000 ekin = 3.42459051153801 | erot = 4.10039189185601 | epot = -37.1561365046956 | etot = -29.6311541013016 +625000 ekin = 3.47427533928241 | erot = 4.19316198399256 | epot = -37.3128709391509 | etot = -29.6454336158759 +626000 ekin = 3.59243588690051 | erot = 4.25331544595908 | epot = -37.4538356021372 | etot = -29.6080842692777 +627000 ekin = 3.65834270574544 | erot = 3.84587709669875 | epot = -37.5560189371568 | etot = -30.0517991347126 +628000 ekin = 3.70047562334568 | erot = 3.6882110278348 | epot = -37.6346624168372 | etot = -30.2459757656567 +629000 ekin = 3.73516234913422 | erot = 3.92476956261677 | epot = -37.7008434862915 | etot = -30.0409115745406 +630000 ekin = 3.81181204861746 | erot = 3.95913149926753 | epot = -37.7335643601767 | etot = -29.9626208122917 +631000 ekin = 3.81645534702365 | erot = 3.13210702566911 | epot = -37.7706097068458 | etot = -30.822047334153 +632000 ekin = 3.83367227377576 | erot = 3.16390787891888 | epot = -37.8179976528052 | etot = -30.8204175001106 +633000 ekin = 3.78875173101125 | erot = 3.28627876080398 | epot = -37.8551980571897 | etot = -30.7801675653744 +634000 ekin = 3.64435724345663 | erot = 3.54689069849326 | epot = -37.8771184407042 | etot = -30.6858704987543 +635000 ekin = 3.74927918910687 | erot = 3.50067245026001 | epot = -37.9120332365853 | etot = -30.6620815972185 +636000 ekin = 3.89890106913056 | erot = 3.51590480850453 | epot = -37.9883703460318 | etot = -30.5735644683968 +637000 ekin = 3.98051852239104 | erot = 3.51683885701821 | epot = -38.1188954220068 | etot = -30.6215380425976 +638000 ekin = 4.1867925219674 | erot = 3.48363716100457 | epot = -38.3003898519922 | etot = -30.6299601690202 +639000 ekin = 4.29259370089831 | erot = 3.44532403016783 | epot = -38.5009165327295 | etot = -30.7629988016634 +640000 ekin = 4.33862023546758 | erot = 3.61400248687526 | epot = -38.6627935284701 | etot = -30.7101708061272 +641000 ekin = 4.47895119284624 | erot = 3.60758277909094 | epot = -38.7986251266558 | etot = -30.7120911547187 +642000 ekin = 4.48471207018763 | erot = 3.75535910837196 | epot = -38.863620414876 | etot = -30.6235492363164 +643000 ekin = 4.56445558617355 | erot = 3.81552004634157 | epot = -38.8645537025225 | etot = -30.4845780700074 +644000 ekin = 4.73329478475728 | erot = 3.55885168491639 | epot = -38.8054956282291 | etot = -30.5133491585554 +645000 ekin = 4.6912943962558 | erot = 3.28200064721723 | epot = -38.701547429741 | etot = -30.7282523862679 +646000 ekin = 4.58583002001323 | erot = 3.4085956946329 | epot = -38.5478616511678 | etot = -30.5534359365217 +647000 ekin = 4.60741071742923 | erot = 3.38831322436691 | epot = -38.3932861693425 | etot = -30.3975622275464 +648000 ekin = 4.51463144345976 | erot = 3.2427410033314 | epot = -38.2758434893353 | etot = -30.5184710425442 +649000 ekin = 4.55491099792929 | erot = 3.3173810530716 | epot = -38.2201110845429 | etot = -30.347819033542 +650000 ekin = 4.67226589728798 | erot = 3.60950811156257 | epot = -38.2202225605509 | etot = -29.9384485517004 +651000 ekin = 4.60851815831642 | erot = 3.77278937705233 | epot = -38.2536330995444 | etot = -29.8723255641757 +652000 ekin = 4.678459200191 | erot = 3.3937624009624 | epot = -38.2868824175937 | etot = -30.2146608164403 +653000 ekin = 4.66844839257089 | erot = 3.83803199311166 | epot = -38.3235322989536 | etot = -29.817051913271 +654000 ekin = 4.7104895331932 | erot = 3.48299287365129 | epot = -38.3580887397253 | etot = -30.1646063328808 +655000 ekin = 4.59645355598621 | erot = 3.7478202528204 | epot = -38.4145657066933 | etot = -30.0702918978867 +656000 ekin = 4.75902771581097 | erot = 3.81874385847384 | epot = -38.4693742928374 | etot = -29.8916027185526 +657000 ekin = 4.64668020593031 | erot = 3.6665600106013 | epot = -38.4843211797294 | etot = -30.1710809631978 +658000 ekin = 4.5583600187507 | erot = 3.93329833863019 | epot = -38.4803826070965 | etot = -29.9887242497156 +659000 ekin = 4.55537392119719 | erot = 3.6285471602112 | epot = -38.4363459414659 | etot = -30.2524248600575 +660000 ekin = 4.41551333368083 | erot = 3.6539559007289 | epot = -38.3663969488346 | etot = -30.2969277144249 +661000 ekin = 4.32449081576465 | erot = 3.74090915717697 | epot = -38.2884247485437 | etot = -30.2230247756021 +662000 ekin = 4.2382312401034 | erot = 3.58833666048796 | epot = -38.1946280661735 | etot = -30.3680601655822 +663000 ekin = 4.32618520330348 | erot = 3.71369597709409 | epot = -38.0940311251124 | etot = -30.0541499447149 +664000 ekin = 4.30987713127737 | erot = 3.55193027406456 | epot = -38.0118003167729 | etot = -30.149992911431 +665000 ekin = 4.32971268964125 | erot = 3.40416985470638 | epot = -37.9630121098137 | etot = -30.229129565466 +666000 ekin = 4.30397058329232 | erot = 3.24563244836293 | epot = -37.9564459426245 | etot = -30.4068429109692 +667000 ekin = 4.23802718761159 | erot = 3.57923047722682 | epot = -37.911170999797 | etot = -30.0939133349586 +668000 ekin = 4.17750835985169 | erot = 3.42921371885257 | epot = -37.8409684237745 | etot = -30.2342463450703 +669000 ekin = 4.10123021238948 | erot = 3.38759831293412 | epot = -37.7732457913403 | etot = -30.2844172660167 +670000 ekin = 3.96563796265766 | erot = 3.59480187806753 | epot = -37.6965941156386 | etot = -30.1361542749134 +671000 ekin = 3.96406262528469 | erot = 3.64073126780246 | epot = -37.5753442355431 | etot = -29.9705503424559 +672000 ekin = 4.04265318678508 | erot = 3.67979591145804 | epot = -37.4296504342378 | etot = -29.7072013359947 +673000 ekin = 3.99224066234871 | erot = 3.52190422085278 | epot = -37.3047157518844 | etot = -29.7905708686829 +674000 ekin = 3.97681715793532 | erot = 3.75368024393782 | epot = -37.1885781675148 | etot = -29.4580807656416 +675000 ekin = 3.85833621087031 | erot = 3.97050815664581 | epot = -37.1417466549724 | etot = -29.3129022874562 +676000 ekin = 3.77676206895609 | erot = 3.79811590545655 | epot = -37.1253534099231 | etot = -29.5504754355104 +677000 ekin = 3.78226586281953 | erot = 3.88942769355379 | epot = -37.1385629636271 | etot = -29.4668694072538 +678000 ekin = 3.61579087416917 | erot = 3.83629032138248 | epot = -37.1880190743623 | etot = -29.7359378788106 +679000 ekin = 3.59940694058669 | erot = 3.92320694106388 | epot = -37.2411006365046 | etot = -29.7184867548541 +680000 ekin = 3.59936088858661 | erot = 3.59198808770705 | epot = -37.3103059663064 | etot = -30.1189569900128 +681000 ekin = 3.5506817335392 | erot = 3.62032338399699 | epot = -37.397887158622 | etot = -30.2268820410859 +682000 ekin = 3.64312616149454 | erot = 3.63220095729207 | epot = -37.4824268307592 | etot = -30.2070997119726 +683000 ekin = 3.59147144886464 | erot = 4.0054088226964 | epot = -37.5784304648838 | etot = -29.9815501933228 +684000 ekin = 3.72558767154372 | erot = 4.43134049971566 | epot = -37.6663536443173 | etot = -29.5094254730579 +685000 ekin = 3.75700113340408 | erot = 4.42051791074664 | epot = -37.7011506850387 | etot = -29.523631640888 +686000 ekin = 3.68716829673499 | erot = 4.29446170846264 | epot = -37.7134415714993 | etot = -29.7318115663016 +687000 ekin = 3.64818503755748 | erot = 4.53150873331274 | epot = -37.711537143075 | etot = -29.5318433722048 +688000 ekin = 3.65898677055773 | erot = 4.19517143645001 | epot = -37.7179324142981 | etot = -29.8637742072904 +689000 ekin = 3.6205349293849 | erot = 4.90634872884686 | epot = -37.7254294906481 | etot = -29.1985458324163 +690000 ekin = 3.66313798116712 | erot = 4.56796147261006 | epot = -37.7316773182824 | etot = -29.5005778645052 +691000 ekin = 3.71240687811154 | erot = 4.32729443264317 | epot = -37.6986701891451 | etot = -29.6589688783904 +692000 ekin = 3.77937222983674 | erot = 4.25209713638378 | epot = -37.6463069321166 | etot = -29.6148375658961 +693000 ekin = 3.82528389687013 | erot = 4.44391854020428 | epot = -37.5813521083399 | etot = -29.3121496712654 +694000 ekin = 3.77132757417731 | erot = 4.30342910423497 | epot = -37.5292531497342 | etot = -29.454496471322 +695000 ekin = 3.87816824099586 | erot = 3.61664690986648 | epot = -37.4977174174724 | etot = -30.0029022666101 +696000 ekin = 4.03561630547957 | erot = 3.14881777436793 | epot = -37.5165237009968 | etot = -30.3320896211493 +697000 ekin = 4.10221303088947 | erot = 2.74688055821586 | epot = -37.6237315563435 | etot = -30.7746379672381 +698000 ekin = 4.33198843808379 | erot = 2.54448976763408 | epot = -37.8109238872746 | etot = -30.9344456815567 +699000 ekin = 4.45835519306674 | erot = 2.8372756281226 | epot = -38.0765099491828 | etot = -30.7808791279934 +700000 ekin = 4.62566765847138 | erot = 3.20413023616686 | epot = -38.3666686805772 | etot = -30.536870785939 +701000 ekin = 4.71198958041981 | erot = 3.20500762759515 | epot = -38.6531148244764 | etot = -30.7361176164614 +702000 ekin = 4.70320353975512 | erot = 3.49669921722509 | epot = -38.9020142648734 | etot = -30.7021115078932 +703000 ekin = 4.7166659217622 | erot = 3.43605875792423 | epot = -39.0983570180767 | etot = -30.9456323383903 +704000 ekin = 4.81119997223625 | erot = 3.68842954975253 | epot = -39.2326154199855 | etot = -30.7329858979967 +705000 ekin = 4.76635995985854 | erot = 4.27225880905604 | epot = -39.304583019354 | etot = -30.2659642504394 +706000 ekin = 4.6123968900786 | erot = 4.45743851438174 | epot = -39.3303553159895 | etot = -30.2605199115291 +707000 ekin = 4.43392403924413 | erot = 5.00090751066076 | epot = -39.3012148785927 | etot = -29.8663833286878 +708000 ekin = 4.493639803788 | erot = 4.44827137132337 | epot = -39.1855945086319 | etot = -30.2436833335206 +709000 ekin = 4.38087413515987 | erot = 4.33993340713996 | epot = -39.0225667156706 | etot = -30.3017591733707 +710000 ekin = 4.30084034805674 | erot = 4.18416076229495 | epot = -38.8018325665079 | etot = -30.3168314561562 +711000 ekin = 4.16061239283914 | erot = 3.7596460771024 | epot = -38.6119256895403 | etot = -30.6916672195988 +712000 ekin = 4.02785073941548 | erot = 3.91873808556251 | epot = -38.5032151267495 | etot = -30.5566263017715 +713000 ekin = 3.91042694307498 | erot = 4.02474708082426 | epot = -38.4555203424355 | etot = -30.5203463185362 +714000 ekin = 3.91972154955257 | erot = 3.86911398530038 | epot = -38.4391911139339 | etot = -30.650355579081 +715000 ekin = 3.79432885182375 | erot = 3.97493955426887 | epot = -38.4648934882979 | etot = -30.6956250822053 +716000 ekin = 3.81379173421808 | erot = 4.12773796628716 | epot = -38.5344978321895 | etot = -30.5929681316842 +717000 ekin = 3.81338083287853 | erot = 3.91040514076917 | epot = -38.6119475932714 | etot = -30.8881616196237 +718000 ekin = 3.98031853847202 | erot = 3.63481705596704 | epot = -38.678649410417 | etot = -31.0635138159779 +719000 ekin = 3.85667554069524 | erot = 3.54568346865617 | epot = -38.7335222105702 | etot = -31.3311632012187 +720000 ekin = 3.82130999837899 | erot = 3.12899985812958 | epot = -38.800048179352 | etot = -31.8497383228434 +721000 ekin = 3.84625676410583 | erot = 3.33090070721994 | epot = -38.8362758074818 | etot = -31.659118336156 +722000 ekin = 3.79224716661396 | erot = 3.20659617994807 | epot = -38.8301147634646 | etot = -31.8312714169026 +723000 ekin = 3.89270036914644 | erot = 3.09341373486916 | epot = -38.7612142662691 | etot = -31.7751001622535 +724000 ekin = 3.88950015267433 | erot = 3.37593260372111 | epot = -38.6472208331853 | etot = -31.3817880767899 +725000 ekin = 3.89253643906727 | erot = 3.3632565061082 | epot = -38.5278096836431 | etot = -31.2720167384676 +726000 ekin = 3.77207579735126 | erot = 2.95762270097697 | epot = -38.4162496849588 | etot = -31.6865511866306 +727000 ekin = 3.8589508308402 | erot = 2.69741467226751 | epot = -38.3204112624909 | etot = -31.7640457593832 +728000 ekin = 3.95735248448056 | erot = 2.91208862145619 | epot = -38.2269317498774 | etot = -31.3574906439407 +729000 ekin = 3.90116579496193 | erot = 2.68023881807524 | epot = -38.1837112825913 | etot = -31.6023066695542 +730000 ekin = 3.96318220229622 | erot = 2.52640600275291 | epot = -38.1795006550048 | etot = -31.6899124499557 +731000 ekin = 4.07163559325289 | erot = 2.47524828245716 | epot = -38.2208467965997 | etot = -31.6739629208896 +732000 ekin = 4.12331294394785 | erot = 2.59059397612219 | epot = -38.2785246774242 | etot = -31.5646177573541 +733000 ekin = 4.18393032106836 | erot = 2.72580269413632 | epot = -38.3920370437211 | etot = -31.4823040285164 +734000 ekin = 4.22490204001118 | erot = 2.94025387724297 | epot = -38.5577268408556 | etot = -31.3925709236014 +735000 ekin = 4.41637906381283 | erot = 3.39000978300269 | epot = -38.7520895879279 | etot = -30.9457007411124 +736000 ekin = 4.52682105512923 | erot = 3.59384799521502 | epot = -39.0007836443238 | etot = -30.8801145939796 +737000 ekin = 4.54518518822972 | erot = 3.67606395235652 | epot = -39.2431861398732 | etot = -31.021936999287 +738000 ekin = 4.54111831313617 | erot = 3.87514152367601 | epot = -39.4689573474101 | etot = -31.0526975105979 +739000 ekin = 4.64515651334113 | erot = 3.86830954896661 | epot = -39.6580785017875 | etot = -31.1446124394798 +740000 ekin = 4.59721923359584 | erot = 3.83234514918706 | epot = -39.7800787241315 | etot = -31.3505143413486 +741000 ekin = 4.54920694202201 | erot = 4.22873772666781 | epot = -39.8001498706485 | etot = -31.0222052019586 +742000 ekin = 4.37775553859951 | erot = 4.07719515191216 | epot = -39.7729191936198 | etot = -31.3179685031081 +743000 ekin = 4.3556617165815 | erot = 4.19296317409613 | epot = -39.6826493457458 | etot = -31.1340244550682 +744000 ekin = 4.35520781857212 | erot = 4.03027041959878 | epot = -39.5404877687077 | etot = -31.1550095305368 +745000 ekin = 4.22626887984331 | erot = 3.36034348052808 | epot = -39.3612863690872 | etot = -31.7746740087159 +746000 ekin = 4.11995949308923 | erot = 3.27667360498748 | epot = -39.1619120183871 | etot = -31.7652789203104 +747000 ekin = 4.14400839200239 | erot = 3.30199438470026 | epot = -38.9827326721258 | etot = -31.5367298954232 +748000 ekin = 4.00468940718693 | erot = 3.14625781984354 | epot = -38.8044398216778 | etot = -31.6534925946474 +749000 ekin = 3.84115389861465 | erot = 2.95470003366609 | epot = -38.6687005011654 | etot = -31.8728465688846 +750000 ekin = 3.65410258827823 | erot = 3.15459365563754 | epot = -38.5278602215809 | etot = -31.7191639776651 +751000 ekin = 3.60281847230545 | erot = 3.24631581000339 | epot = -38.4153933025755 | etot = -31.5662590202667 +752000 ekin = 3.67731217795128 | erot = 3.63832283099251 | epot = -38.3028409880039 | etot = -30.9872059790601 +753000 ekin = 3.57605485188811 | erot = 3.26752665173291 | epot = -38.2165204041613 | etot = -31.3729389005403 +754000 ekin = 3.69078656100588 | erot = 3.07077330953217 | epot = -38.2008529421062 | etot = -31.4392930715682 +755000 ekin = 3.70168225637986 | erot = 2.97263399944788 | epot = -38.2287093031125 | etot = -31.5543930472847 +756000 ekin = 3.82302121276 | erot = 3.1782689290909 | epot = -38.310131999282 | etot = -31.3088418574311 +757000 ekin = 3.92969183976134 | erot = 3.24398381681734 | epot = -38.4229976799532 | etot = -31.2493220233745 +758000 ekin = 4.01825553851191 | erot = 2.96087889455693 | epot = -38.5603809302421 | etot = -31.5812464971732 +759000 ekin = 4.15945678292269 | erot = 3.31368855914151 | epot = -38.7240687265501 | etot = -31.2509233844859 +760000 ekin = 4.08337495041291 | erot = 3.28527114059579 | epot = -38.8845645171709 | etot = -31.5159184261622 +761000 ekin = 4.14862342701004 | erot = 3.30586771709929 | epot = -38.9896780479041 | etot = -31.5351869037947 +762000 ekin = 4.15291891523591 | erot = 3.21578962032615 | epot = -39.035237071941 | etot = -31.6665285363789 +763000 ekin = 4.13154828483801 | erot = 3.3900507889808 | epot = -39.0640564952969 | etot = -31.5424574214781 +764000 ekin = 4.11445022984107 | erot = 3.78778087021365 | epot = -39.069248399025 | etot = -31.1670172989702 +765000 ekin = 3.94937442988367 | erot = 3.99811330721222 | epot = -39.0421921917084 | etot = -31.0947044546125 +766000 ekin = 3.90772961551845 | erot = 4.0181962192846 | epot = -38.9772379154488 | etot = -31.0513120806457 +767000 ekin = 3.91865092379332 | erot = 3.66675942927299 | epot = -38.8570109636996 | etot = -31.2716006106332 +768000 ekin = 3.90455829915362 | erot = 3.57997769181348 | epot = -38.7106990781797 | etot = -31.2261630872126 +769000 ekin = 3.79614462627826 | erot = 3.72589479531031 | epot = -38.5987325117513 | etot = -31.0766930901627 +770000 ekin = 3.84943042371488 | erot = 3.41445940258812 | epot = -38.524203140241 | etot = -31.260313313938 +771000 ekin = 3.93726861106201 | erot = 3.22573743650855 | epot = -38.4470290210344 | etot = -31.2840229734638 +772000 ekin = 3.96999789478599 | erot = 3.15006319998264 | epot = -38.4433830504296 | etot = -31.3233219556609 +773000 ekin = 3.90264203603893 | erot = 3.08286085672441 | epot = -38.4596433115508 | etot = -31.4741404187875 +774000 ekin = 4.05136357587227 | erot = 3.17001936426344 | epot = -38.5137422973683 | etot = -31.2923593572326 +775000 ekin = 4.11418642080987 | erot = 3.81754399179953 | epot = -38.5927804349062 | etot = -30.6610500222968 +776000 ekin = 4.11481050991315 | erot = 3.55328099460652 | epot = -38.6754580889833 | etot = -31.0073665844636 +777000 ekin = 4.23423405077881 | erot = 3.58108270552595 | epot = -38.76169441768 | etot = -30.9463776613752 +778000 ekin = 4.22244262963946 | erot = 3.64411855451438 | epot = -38.842032142942 | etot = -30.9754709587882 +779000 ekin = 4.20492205038613 | erot = 3.89270804286644 | epot = -38.9009656289588 | etot = -30.8033355357062 +780000 ekin = 4.19457435208234 | erot = 3.98994130977106 | epot = -38.9050369874364 | etot = -30.720521325583 +781000 ekin = 4.33837315790505 | erot = 3.45852422770954 | epot = -38.858660577552 | etot = -31.0617631919374 +782000 ekin = 4.36357496915283 | erot = 3.10010011432268 | epot = -38.7868584055569 | etot = -31.3231833220814 +783000 ekin = 4.42162598039069 | erot = 3.42028138737023 | epot = -38.7233668668895 | etot = -30.8814594991286 +784000 ekin = 4.52915280589068 | erot = 3.46746509226016 | epot = -38.6388342149203 | etot = -30.6422163167695 +785000 ekin = 4.5515940213827 | erot = 3.36141401661281 | epot = -38.5160993571772 | etot = -30.6030913191817 +786000 ekin = 4.4107707826179 | erot = 3.55728141641263 | epot = -38.3921286555455 | etot = -30.424076456515 +787000 ekin = 4.5473982866512 | erot = 3.81681111076943 | epot = -38.2843232861691 | etot = -29.9201138887484 +788000 ekin = 4.51350891647158 | erot = 3.90594890385667 | epot = -38.2029645190101 | etot = -29.7835066986818 +789000 ekin = 4.41183434492804 | erot = 4.01545730842702 | epot = -38.1545360413066 | etot = -29.7272443879516 +790000 ekin = 4.36219296798482 | erot = 4.38022337925401 | epot = -38.1642768248248 | etot = -29.421860477586 +791000 ekin = 4.36856935453186 | erot = 4.10044084346348 | epot = -38.2219055606099 | etot = -29.7528953626145 +792000 ekin = 4.15750522427241 | erot = 4.31220830506829 | epot = -38.3006248567473 | etot = -29.8309113274066 +793000 ekin = 4.04895474142992 | erot = 4.47406069249712 | epot = -38.4166817679429 | etot = -29.8936663340158 +794000 ekin = 4.06782077729031 | erot = 4.54237615913424 | epot = -38.5497403981529 | etot = -29.9395434617283 +795000 ekin = 4.13325369560983 | erot = 4.6766430853343 | epot = -38.7140310649859 | etot = -29.9041342840418 +796000 ekin = 4.24810673699357 | erot = 4.55090018691371 | epot = -38.8628377912581 | etot = -30.0638308673508 +797000 ekin = 4.47820483480053 | erot = 4.37105820701948 | epot = -39.0073103741372 | etot = -30.1580473323172 +798000 ekin = 4.41687882033665 | erot = 4.0319284480101 | epot = -39.1717655165835 | etot = -30.7229582482367 +799000 ekin = 4.51272621151664 | erot = 3.80275615695394 | epot = -39.3264210367218 | etot = -31.0109386682512 +800000 ekin = 4.55406747539997 | erot = 3.86603589563191 | epot = -39.455092115688 | etot = -31.0349887446561 +801000 ekin = 4.71425753043942 | erot = 4.19401636489441 | epot = -39.5455068512898 | etot = -30.637232955956 +802000 ekin = 4.73096724901056 | erot = 4.66018334519229 | epot = -39.597292270086 | etot = -30.2061416758832 +803000 ekin = 4.62379738113321 | erot = 4.84687313016545 | epot = -39.6033097238909 | etot = -30.1326392125923 +804000 ekin = 4.73211781117979 | erot = 4.65405100631752 | epot = -39.5980929919841 | etot = -30.2119241744868 +805000 ekin = 4.74990370273786 | erot = 5.03061291222775 | epot = -39.569498865532 | etot = -29.7889822505664 +806000 ekin = 4.71376969100994 | erot = 4.52737209746845 | epot = -39.5309941756428 | etot = -30.2898523871644 +807000 ekin = 4.86079475139447 | erot = 4.60056901312774 | epot = -39.4997078348834 | etot = -30.0383440703612 +808000 ekin = 4.80209833525365 | erot = 4.45818548395654 | epot = -39.4704788837951 | etot = -30.2101950645849 +809000 ekin = 4.6377001128784 | erot = 4.50410245159993 | epot = -39.4133092695815 | etot = -30.2715067051032 +810000 ekin = 4.58845623547692 | erot = 4.59839740206889 | epot = -39.3630399165046 | etot = -30.1761862789588 +811000 ekin = 4.49885529137753 | erot = 3.98878012931503 | epot = -39.2630135095319 | etot = -30.7753780888393 +812000 ekin = 4.26896362698783 | erot = 3.78568800845445 | epot = -39.1138584925267 | etot = -31.0592068570844 +813000 ekin = 4.13473287838133 | erot = 3.6709761560088 | epot = -38.9684769118808 | etot = -31.1627678774907 +814000 ekin = 3.94776533151714 | erot = 3.9457998277719 | epot = -38.8393181931019 | etot = -30.9457530338129 +815000 ekin = 3.90824876714862 | erot = 4.04132924638677 | epot = -38.7551601823022 | etot = -30.8055821687668 +816000 ekin = 3.78701127768462 | erot = 3.90301930977968 | epot = -38.6978803550943 | etot = -31.00784976763 +817000 ekin = 3.66292511898636 | erot = 3.94682412287945 | epot = -38.6270985077425 | etot = -31.0173492658767 +818000 ekin = 3.57247131276281 | erot = 4.1784329766224 | epot = -38.5581000447571 | etot = -30.8071957553719 +819000 ekin = 3.53877880324498 | erot = 4.11647252852254 | epot = -38.4709987313688 | etot = -30.8157473996013 +820000 ekin = 3.50671598439864 | erot = 4.25631799360866 | epot = -38.3521077332953 | etot = -30.589073755288 +821000 ekin = 3.53103431342861 | erot = 3.63219688182926 | epot = -38.2011634572152 | etot = -31.0379322619573 +822000 ekin = 3.51951391759931 | erot = 3.61259288561798 | epot = -38.0560993175178 | etot = -30.9239925143005 +823000 ekin = 3.57671320020554 | erot = 3.17979253207743 | epot = -37.8872361758755 | etot = -31.1307304435925 +824000 ekin = 3.52000952110921 | erot = 3.12347116703116 | epot = -37.7532307820921 | etot = -31.1097500939517 +825000 ekin = 3.58955759313305 | erot = 3.15061432333252 | epot = -37.6359982536732 | etot = -30.8958263372076 +826000 ekin = 3.67361585241115 | erot = 3.02327306668993 | epot = -37.5692124634555 | etot = -30.8723235443545 +827000 ekin = 3.81109350736604 | erot = 2.85212407416508 | epot = -37.5611625241685 | etot = -30.8979449426374 +828000 ekin = 3.90531542763306 | erot = 2.81227386436724 | epot = -37.5694328663444 | etot = -30.8518435743441 +829000 ekin = 3.84587100054128 | erot = 2.81493449341339 | epot = -37.6070676030481 | etot = -30.9462621090934 +830000 ekin = 3.92673136944209 | erot = 3.15236191191157 | epot = -37.65374691576 | etot = -30.5746536344063 +831000 ekin = 3.93921284330491 | erot = 3.06450076609943 | epot = -37.726173164998 | etot = -30.7224595555937 +832000 ekin = 3.97197612374618 | erot = 3.05649894745004 | epot = -37.8221989970108 | etot = -30.7937239258146 +833000 ekin = 3.93725030890245 | erot = 3.02665836452891 | epot = -37.937171835506 | etot = -30.9732631620746 +834000 ekin = 3.98146697711148 | erot = 3.02136079279377 | epot = -38.0629385880238 | etot = -31.0601108181185 +835000 ekin = 4.05052897985953 | erot = 3.17273406713208 | epot = -38.1835463837721 | etot = -30.9602833367805 +836000 ekin = 4.19040397553796 | erot = 3.26946027032974 | epot = -38.300933644763 | etot = -30.8410693988953 +837000 ekin = 4.23633886579806 | erot = 3.17722972050019 | epot = -38.3895940577245 | etot = -30.9760254714263 +838000 ekin = 4.29790040722482 | erot = 3.15450479842838 | epot = -38.4727069904853 | etot = -31.0203017848321 +839000 ekin = 4.182732050379 | erot = 3.33215565017002 | epot = -38.5543306618494 | etot = -31.0394429613004 +840000 ekin = 4.10684077367696 | erot = 3.38230089969601 | epot = -38.6241675017603 | etot = -31.1350258283873 +841000 ekin = 4.23749853699722 | erot = 4.07451157411683 | epot = -38.6954306161322 | etot = -30.3834205050181 +842000 ekin = 4.2153670799426 | erot = 4.23835126074053 | epot = -38.7619078222528 | etot = -30.3081894815696 +843000 ekin = 4.22215504966699 | erot = 4.35771502414021 | epot = -38.8129398935362 | etot = -30.233069819729 +844000 ekin = 4.30121627933573 | erot = 4.37450016715701 | epot = -38.8385476120776 | etot = -30.1628311655849 +845000 ekin = 4.21550077214609 | erot = 4.14378307005649 | epot = -38.8237568245827 | etot = -30.4644729823801 +846000 ekin = 4.02238016824686 | erot = 4.51654867802952 | epot = -38.7905889780241 | etot = -30.2516601317477 +847000 ekin = 4.01810256512937 | erot = 4.26125017170745 | epot = -38.733957558752 | etot = -30.4546048219152 +848000 ekin = 3.96232133970732 | erot = 4.11983424179405 | epot = -38.6313622633386 | etot = -30.5492066818373 +849000 ekin = 3.80836560854392 | erot = 4.28564223418274 | epot = -38.4895963152699 | etot = -30.3955884725433 +850000 ekin = 3.69578896780274 | erot = 4.39587758868528 | epot = -38.3525607889922 | etot = -30.2608942325042 +851000 ekin = 3.41959969074421 | erot = 4.26064520104062 | epot = -38.1456854690894 | etot = -30.4654405773046 +852000 ekin = 3.30829887930776 | erot = 3.71835542085465 | epot = -37.9409715149428 | etot = -30.9143172147804 +853000 ekin = 3.35508979255713 | erot = 3.37030184945621 | epot = -37.7900455534541 | etot = -31.0646539114407 +854000 ekin = 3.27022944339449 | erot = 3.34212111159852 | epot = -37.7131840806896 | etot = -31.1008335256966 +855000 ekin = 3.19861227193943 | erot = 3.88856216577093 | epot = -37.6928018165187 | etot = -30.6056273788083 +856000 ekin = 3.06768638261934 | erot = 3.98298011021487 | epot = -37.727010473156 | etot = -30.6763439803218 +857000 ekin = 3.02849458271124 | erot = 3.90128373509556 | epot = -37.7894644617561 | etot = -30.8596861439493 +858000 ekin = 3.01766394874133 | erot = 3.81481515545799 | epot = -37.864155422239 | etot = -31.0316763180397 +859000 ekin = 3.04279727315576 | erot = 3.58850792531743 | epot = -37.9147104139937 | etot = -31.2834052155205 +860000 ekin = 3.12250083122182 | erot = 3.47152341944205 | epot = -37.9805991878282 | etot = -31.3865749371643 +861000 ekin = 3.08661234486262 | erot = 3.19104504877429 | epot = -38.04550487435 | etot = -31.7678474807131 +862000 ekin = 3.21284829409286 | erot = 3.29871938445959 | epot = -38.099234844044 | etot = -31.5876671654915 +863000 ekin = 3.30782920492323 | erot = 3.18791577959012 | epot = -38.1747149198294 | etot = -31.678969935316 +864000 ekin = 3.42420257195635 | erot = 2.92388402618494 | epot = -38.2365375033583 | etot = -31.888450905217 +865000 ekin = 3.34466551527704 | erot = 3.0972998859353 | epot = -38.3012083514071 | etot = -31.8592429501948 +866000 ekin = 3.36174635490684 | erot = 3.3198551234471 | epot = -38.3565233653478 | etot = -31.6749218869938 +867000 ekin = 3.42183919685502 | erot = 2.79592217571871 | epot = -38.3877893327297 | etot = -32.1700279601559 +868000 ekin = 3.36274087144656 | erot = 2.53957841641322 | epot = -38.4029375195831 | etot = -32.5006182317234 +869000 ekin = 3.40964507660634 | erot = 2.56691032353942 | epot = -38.3607072506902 | etot = -32.3841518505445 +870000 ekin = 3.53716918539254 | erot = 2.78671187381873 | epot = -38.3296120297666 | etot = -32.0057309705553 +871000 ekin = 3.59594316640842 | erot = 2.64188707611872 | epot = -38.2798157408163 | etot = -32.0419854982892 +872000 ekin = 3.50734679867101 | erot = 2.53533702817691 | epot = -38.2086073023317 | etot = -32.1659234754837 +873000 ekin = 3.49167258379229 | erot = 2.78144827221661 | epot = -38.1271407877645 | etot = -31.8540199317556 +874000 ekin = 3.51303146719815 | erot = 2.71312702979824 | epot = -38.0371921369838 | etot = -31.8110336399874 +875000 ekin = 3.48945347772523 | erot = 2.94850163157185 | epot = -37.9788388329103 | etot = -31.5408837236132 +876000 ekin = 3.56075870692743 | erot = 3.00511197452205 | epot = -37.9138095080298 | etot = -31.3479388265803 +877000 ekin = 3.47758786865167 | erot = 3.16390846334178 | epot = -37.8677942057126 | etot = -31.2262978737192 +878000 ekin = 3.30311825505467 | erot = 3.03452838302444 | epot = -37.8643582436496 | etot = -31.5267116055705 +879000 ekin = 3.24374156245722 | erot = 3.40785973601232 | epot = -37.8934655456588 | etot = -31.2418642471892 +880000 ekin = 3.37573093292725 | erot = 3.29280897525375 | epot = -37.94427513544 | etot = -31.275735227259 +881000 ekin = 3.39840544569004 | erot = 3.55852812717334 | epot = -38.000888118187 | etot = -31.0439545453236 +882000 ekin = 3.5896767073527 | erot = 3.35995074975521 | epot = -38.026551897189 | etot = -31.0769244400811 +883000 ekin = 3.50982611331082 | erot = 2.96694324238039 | epot = -38.0094926569537 | etot = -31.5327233012624 +884000 ekin = 3.40446481074992 | erot = 3.29501620823905 | epot = -37.9974315131722 | etot = -31.2979504941832 +885000 ekin = 3.35965929451973 | erot = 3.11716654513077 | epot = -38.0104898466533 | etot = -31.5336640070028 +886000 ekin = 3.43988208795668 | erot = 3.03035945423276 | epot = -38.069363334615 | etot = -31.5991217924255 +887000 ekin = 3.45628684947244 | erot = 3.13318789403753 | epot = -38.167703435161 | etot = -31.5782286916511 +888000 ekin = 3.56219309594448 | erot = 3.51843891461388 | epot = -38.2809194479115 | etot = -31.2002874373531 +889000 ekin = 3.66415644518205 | erot = 4.27546474777864 | epot = -38.4171028829355 | etot = -30.4774816899748 +890000 ekin = 3.59199164776004 | erot = 4.54716655442247 | epot = -38.5531146541753 | etot = -30.4139564519928 +891000 ekin = 3.4869835078992 | erot = 4.75701182525676 | epot = -38.6580895919222 | etot = -30.4140942587662 +892000 ekin = 3.51562855757933 | erot = 4.92508483334413 | epot = -38.7362622656568 | etot = -30.2955488747333 +893000 ekin = 3.4766111333881 | erot = 5.21569244219365 | epot = -38.7939526432623 | etot = -30.1016490676805 +894000 ekin = 3.33377890272863 | erot = 5.32415823975928 | epot = -38.7809839614906 | etot = -30.1230468190027 +895000 ekin = 3.43478318369578 | erot = 5.410051543616 | epot = -38.7354883491905 | etot = -29.8906536218787 +896000 ekin = 3.35681124753231 | erot = 5.27612600451789 | epot = -38.644144773384 | etot = -30.0112075213338 +897000 ekin = 3.28668538949675 | erot = 5.17803324766013 | epot = -38.5248966927272 | etot = -30.0601780555704 +898000 ekin = 3.28286469703029 | erot = 5.13874374768494 | epot = -38.3749221439187 | etot = -29.9533136992034 +899000 ekin = 3.28106900834711 | erot = 5.02377463132162 | epot = -38.2159550339518 | etot = -29.9111113942831 +900000 ekin = 3.23754877589606 | erot = 4.74128859066625 | epot = -38.0678968923381 | etot = -30.0890595257758 +901000 ekin = 3.13978298302555 | erot = 4.3243129242664 | epot = -37.9137652588163 | etot = -30.4496693515243 +902000 ekin = 3.14110495369385 | erot = 3.63711917032573 | epot = -37.7967183247472 | etot = -31.0184942007276 +903000 ekin = 3.11835106948976 | erot = 3.5835838401184 | epot = -37.7069569192995 | etot = -31.0050220096914 +904000 ekin = 3.07376219479296 | erot = 3.52931006844825 | epot = -37.6597467606241 | etot = -31.0566744973829 +905000 ekin = 3.06812362454372 | erot = 3.78913234205767 | epot = -37.6633180135037 | etot = -30.8060620469023 +906000 ekin = 3.16118254583043 | erot = 3.68210315785564 | epot = -37.7114125889238 | etot = -30.8681268852377 +907000 ekin = 3.05937736690025 | erot = 3.63166351278032 | epot = -37.8094278488435 | etot = -31.118386969163 +908000 ekin = 3.20197665753494 | erot = 3.6441133335068 | epot = -37.8953945586471 | etot = -31.0493045676053 +909000 ekin = 3.13419888287822 | erot = 3.44894287146547 | epot = -37.9553359165693 | etot = -31.3721941622256 +910000 ekin = 3.2011454656304 | erot = 3.42446813676882 | epot = -38.024917947609 | etot = -31.3993043452098 +911000 ekin = 3.183320242491 | erot = 3.30496399638698 | epot = -38.1090485606002 | etot = -31.6207643217223 +912000 ekin = 3.26276595850364 | erot = 3.24471741353574 | epot = -38.2096715613882 | etot = -31.7021881893489 +913000 ekin = 3.2681561913827 | erot = 3.26266624315759 | epot = -38.3821519588598 | etot = -31.8513295243196 +914000 ekin = 3.35412635067755 | erot = 3.33562334375845 | epot = -38.6092123987847 | etot = -31.9194627043487 +915000 ekin = 3.50776663391062 | erot = 3.6091033663435 | epot = -38.8009254120376 | etot = -31.6840554117835 +916000 ekin = 3.5277313901091 | erot = 3.46745309412736 | epot = -38.9707688836112 | etot = -31.9755843993747 +917000 ekin = 3.59076210165264 | erot = 3.41178573512987 | epot = -39.0925719913734 | etot = -32.0900241545909 +918000 ekin = 3.70456853537637 | erot = 3.18226166796491 | epot = -39.1781408185665 | etot = -32.2913106152253 +919000 ekin = 3.78037780426176 | erot = 3.08638967761944 | epot = -39.2569196438486 | etot = -32.3901521619674 +920000 ekin = 3.91060781137684 | erot = 3.28711158692157 | epot = -39.3298863351688 | etot = -32.1321669368704 +921000 ekin = 3.94747979949424 | erot = 3.45337772058887 | epot = -39.3932618134522 | etot = -31.9924042933691 +922000 ekin = 3.94814734356941 | erot = 3.67117615571532 | epot = -39.4429346449514 | etot = -31.8236111456667 +923000 ekin = 3.96148195878582 | erot = 4.16418425189001 | epot = -39.4697891977426 | etot = -31.3441229870668 +924000 ekin = 3.93156231463912 | erot = 4.23364521862771 | epot = -39.4747062603535 | etot = -31.3094987270866 +925000 ekin = 3.98364691406504 | erot = 4.37102519058181 | epot = -39.4559543119553 | etot = -31.1012822073085 +926000 ekin = 3.90165834847865 | erot = 4.5398391765023 | epot = -39.3838686479861 | etot = -30.9423711230052 +927000 ekin = 3.86159556963851 | erot = 4.93409467569006 | epot = -39.3009822835311 | etot = -30.5052920382026 +928000 ekin = 3.88113409255608 | erot = 4.54344659797514 | epot = -39.2237313850886 | etot = -30.7991506945573 +929000 ekin = 3.73601262143371 | erot = 4.54159517313964 | epot = -39.0907845737875 | etot = -30.8131767792141 +930000 ekin = 3.62890283946098 | erot = 4.23223960576937 | epot = -38.9310668930158 | etot = -31.0699244477855 +931000 ekin = 3.51130978751904 | erot = 3.75580234575059 | epot = -38.7496742883208 | etot = -31.4825621550511 +932000 ekin = 3.4360478582467 | erot = 3.85916877458119 | epot = -38.6047820584061 | etot = -31.3095654255782 +933000 ekin = 3.34945134482918 | erot = 4.10711762351073 | epot = -38.510851150919 | etot = -31.0542821825791 +934000 ekin = 3.25407370525901 | erot = 4.02198516513931 | epot = -38.4343657155247 | etot = -31.1583068451264 +935000 ekin = 3.15706754617272 | erot = 3.94213624960972 | epot = -38.3842418910869 | etot = -31.2850380953045 +936000 ekin = 3.00555649828127 | erot = 4.41385590541793 | epot = -38.3669049397814 | etot = -30.9474925360822 +937000 ekin = 2.92065396617262 | erot = 4.74523400801332 | epot = -38.3453538388338 | etot = -30.6794658646479 +938000 ekin = 2.97141948473043 | erot = 4.76974809222722 | epot = -38.3344331957966 | etot = -30.5932656188389 +939000 ekin = 2.94512706992696 | erot = 4.54496818954274 | epot = -38.3244620131108 | etot = -30.8343667536411 +940000 ekin = 2.88288211336379 | erot = 4.33037795313988 | epot = -38.32262444066 | etot = -31.1093643741563 +941000 ekin = 3.0729894973384 | erot = 4.38312166999032 | epot = -38.3472582821346 | etot = -30.8911471148058 +942000 ekin = 3.09399973822793 | erot = 4.23262521183818 | epot = -38.3627707290367 | etot = -31.0361457789706 +943000 ekin = 3.0692834807418 | erot = 4.29810120769341 | epot = -38.3654861580836 | etot = -30.9981014696484 +944000 ekin = 3.05361136554782 | erot = 4.57752136432056 | epot = -38.3891229370226 | etot = -30.7579902071542 +945000 ekin = 3.1053295273393 | erot = 4.63116672909507 | epot = -38.4481824906831 | etot = -30.7116862342487 +946000 ekin = 3.22536073155692 | erot = 4.9775607801974 | epot = -38.5304457687251 | etot = -30.3275242569708 +947000 ekin = 3.22481791886501 | erot = 4.85505897631116 | epot = -38.6306947506549 | etot = -30.5508178554787 +948000 ekin = 3.31258286730489 | erot = 4.40885070504324 | epot = -38.7111926164561 | etot = -30.9897590441079 +949000 ekin = 3.2634175064554 | erot = 4.5080556255622 | epot = -38.7582101439127 | etot = -30.9867370118951 +950000 ekin = 3.38312193033095 | erot = 4.30600402576254 | epot = -38.7909813747404 | etot = -31.1018554186469 +951000 ekin = 3.4587828832488 | erot = 3.92069079490435 | epot = -38.8089483233276 | etot = -31.4294746451744 +952000 ekin = 3.42224118561198 | erot = 3.67807790241698 | epot = -38.8172186174579 | etot = -31.7168995294289 +953000 ekin = 3.5355898130389 | erot = 3.54582501818208 | epot = -38.8376037887756 | etot = -31.7561889575546 +954000 ekin = 3.7408153679097 | erot = 3.65672942044163 | epot = -38.8501623721153 | etot = -31.452617583764 +955000 ekin = 3.71100924365654 | erot = 3.89616377536035 | epot = -38.8864415175113 | etot = -31.2792684984944 +956000 ekin = 3.60593207480462 | erot = 3.6041169004468 | epot = -38.9258365620749 | etot = -31.7157875868235 +957000 ekin = 3.49530434439509 | erot = 3.82410347711554 | epot = -38.946856110473 | etot = -31.6274482889624 +958000 ekin = 3.33025913134877 | erot = 4.09361696296967 | epot = -38.9566069953684 | etot = -31.5327309010499 +959000 ekin = 3.23258633982982 | erot = 4.27749630513793 | epot = -38.9400855462529 | etot = -31.4300029012852 +960000 ekin = 3.31834124707646 | erot = 4.19167538415381 | epot = -38.9006120641386 | etot = -31.3905954329083 +961000 ekin = 3.23354004257472 | erot = 4.33974592386021 | epot = -38.8709462828611 | etot = -31.2976603164261 +962000 ekin = 3.27687420354416 | erot = 4.18251799625536 | epot = -38.8399997192042 | etot = -31.3806075194046 +963000 ekin = 3.18724078299293 | erot = 4.29559449615361 | epot = -38.8215635568147 | etot = -31.3387282776681 +964000 ekin = 3.16628639784342 | erot = 4.17929146419561 | epot = -38.8033314242491 | etot = -31.45775356221 +965000 ekin = 3.23601563824522 | erot = 4.51599223822397 | epot = -38.7801591620089 | etot = -31.0281512855397 +966000 ekin = 3.35348380272848 | erot = 3.96490873951949 | epot = -38.7593006562391 | etot = -31.4409081139911 +967000 ekin = 3.47301428118931 | erot = 3.78771221675296 | epot = -38.7263415939787 | etot = -31.4656150960365 +968000 ekin = 3.5149340684517 | erot = 3.36657292776092 | epot = -38.7364041234236 | etot = -31.854897127211 +969000 ekin = 3.55243037222559 | erot = 3.66068265314151 | epot = -38.7529284526029 | etot = -31.5398154272358 +970000 ekin = 3.63553363347277 | erot = 3.13050605621043 | epot = -38.8016144947092 | etot = -32.035574805026 +971000 ekin = 3.62760421034422 | erot = 3.43775684259623 | epot = -38.8707637872892 | etot = -31.8054027343488 +972000 ekin = 3.66143241862992 | erot = 4.04556663388657 | epot = -38.9794799026745 | etot = -31.272480850158 +973000 ekin = 3.72465898229281 | erot = 3.97416581320678 | epot = -39.0667487302085 | etot = -31.3679239347089 +974000 ekin = 3.99953950913788 | erot = 4.13912764019187 | epot = -39.1431741069699 | etot = -31.0045069576401 +975000 ekin = 4.00465817345125 | erot = 3.9952589646089 | epot = -39.1948973492943 | etot = -31.1949802112341 +976000 ekin = 4.16803719317614 | erot = 4.27607609453617 | epot = -39.2042146461383 | etot = -30.7601013584259 +977000 ekin = 4.27763535208335 | erot = 4.35785374646763 | epot = -39.1647674598219 | etot = -30.529278361271 +978000 ekin = 4.21509832146794 | erot = 3.96978575035236 | epot = -39.0661575270878 | etot = -30.8812734552675 +979000 ekin = 4.11219939771613 | erot = 3.86340161937286 | epot = -38.9126163242263 | etot = -30.9370153071373 +980000 ekin = 4.08548639230655 | erot = 3.71918260809169 | epot = -38.74606503787 | etot = -30.9413960374717 +981000 ekin = 4.02033461236225 | erot = 3.54042819636901 | epot = -38.597187758635 | etot = -31.0364249499038 +982000 ekin = 4.05981657544056 | erot = 3.65178477672051 | epot = -38.4729888125583 | etot = -30.7613874603972 +983000 ekin = 4.15649242216475 | erot = 3.62195027480219 | epot = -38.334259961066 | etot = -30.555817264099 +984000 ekin = 4.1544594314402 | erot = 3.41256983843883 | epot = -38.1946691276125 | etot = -30.6276398577335 +985000 ekin = 3.87659901087172 | erot = 3.4376780504462 | epot = -38.0505436384557 | etot = -30.7362665771378 +986000 ekin = 3.85786856381229 | erot = 3.30334700587324 | epot = -37.8996934133203 | etot = -30.7384778436347 +987000 ekin = 3.87294863787314 | erot = 3.15398232754981 | epot = -37.7929706719646 | etot = -30.7660397065416 +988000 ekin = 3.93790531951915 | erot = 3.08701498108581 | epot = -37.6532967522443 | etot = -30.6283764516394 +989000 ekin = 3.83115351568813 | erot = 3.07802242316603 | epot = -37.5101193189107 | etot = -30.6009433800565 +990000 ekin = 3.81048959043177 | erot = 3.11196082795583 | epot = -37.3832609771669 | etot = -30.4608105587793 +991000 ekin = 3.71517412131507 | erot = 3.09240412040435 | epot = -37.2833659467139 | etot = -30.4757877049945 +992000 ekin = 3.63849701384075 | erot = 2.99887074192591 | epot = -37.1786754428025 | etot = -30.5413076870358 +993000 ekin = 3.63209056043317 | erot = 3.27649085900172 | epot = -37.0906927302529 | etot = -30.182111310818 +994000 ekin = 3.5982839069315 | erot = 3.831697772683 | epot = -37.0255816353104 | etot = -29.5955999556959 +995000 ekin = 3.75927077522078 | erot = 3.45385861701412 | epot = -36.9690811728774 | etot = -29.7559517806425 +996000 ekin = 3.7162823443017 | erot = 3.37243499359166 | epot = -36.9421300931431 | etot = -29.8534127552498 +997000 ekin = 3.60416089411934 | erot = 3.31461433836019 | epot = -36.9528108756411 | etot = -30.0340356431616 +998000 ekin = 3.71457183702544 | erot = 3.42780251384766 | epot = -37.0325234658195 | etot = -29.8901491149464 +999000 ekin = 3.78703773886257 | erot = 3.63993408891207 | epot = -37.1548091593711 | etot = -29.7278373315964 +1000000 ekin = 3.83883486112572 | erot = 3.47192929391945 | epot = -37.2430911050885 | etot = -29.9323269500433 + 1000000 0.10236893 -1.4701186 0.037692055 -1.2847791 5.0290761e-05 64000 +Loop time of 76.6415 on 1 procs for 1000000 steps with 26 atoms + +Performance: 11273.266 tau/day, 13047.762 timesteps/s +99.8% CPU use with 1 MPI tasks x no OpenMP threads + +MPI task timing breakdown: +Section | min time | avg time | max time |%varavg| %total +--------------------------------------------------------------- +Pair | 68.018 | 68.018 | 68.018 | 0.0 | 88.75 +Bond | 1.5413 | 1.5413 | 1.5413 | 0.0 | 2.01 +Neigh | 0.015138 | 0.015138 | 0.015138 | 0.0 | 0.02 +Comm | 0.35429 | 0.35429 | 0.35429 | 0.0 | 0.46 +Output | 0.23554 | 0.23554 | 0.23554 | 0.0 | 0.31 +Modify | 6.2843 | 6.2843 | 6.2843 | 0.0 | 8.20 +Other | | 0.1933 | | | 0.25 + +Nlocal: 26.0000 ave 26 max 26 min +Histogram: 1 0 0 0 0 0 0 0 0 0 +Nghost: 0.00000 ave 0 max 0 min +Histogram: 1 0 0 0 0 0 0 0 0 0 +Neighs: 301.000 ave 301 max 301 min +Histogram: 1 0 0 0 0 0 0 0 0 0 + +Total # of neighbors = 301 +Ave neighs/atom = 11.576923 +Ave special neighs/atom = 5.0769231 +Neighbor list builds = 1000 +Dangerous builds = 0 + +write_data last_config.${number}.* nocoeff +write_data last_config.4.* nocoeff +System init for write_data ... +#write_restart last_config.${number}.* +Total wall time: 0:01:16 diff --git a/examples/PACKAGES/cgdna/examples/oxDNA2/unique_bp/log.2Jul21.duplex4.4type.g++.4 b/examples/PACKAGES/cgdna/examples/oxDNA2/unique_bp/log.2Jul21.duplex4.4type.g++.4 new file mode 100644 index 0000000000..0151e42c10 --- /dev/null +++ b/examples/PACKAGES/cgdna/examples/oxDNA2/unique_bp/log.2Jul21.duplex4.4type.g++.4 @@ -0,0 +1,1230 @@ +LAMMPS (2 Jul 2021) +variable number equal 4 +variable ofreq equal 1000 +variable efreq equal 1000 + +variable ntype equal 4 + +variable T equal 0.1 +variable rhos equal 0.2 + +units lj + +dimension 3 + +newton on + +boundary p p p + +atom_style hybrid bond ellipsoid oxdna +WARNING: Atom style hybrid defines both, per-type and per-atom masses; both must be set, but only per-atom masses will be used (../atom_vec_hybrid.cpp:157) +atom_modify sort 0 1.0 + +# Pair interactions require lists of neighbours to be calculated +neighbor 2.0 bin +neigh_modify every 10 delay 0 check yes + +read_data data.duplex4.4type +Reading data file ... + orthogonal box = (-20.000000 -20.000000 -20.000000) to (20.000000 20.000000 20.000000) + 1 by 2 by 2 MPI processor grid + reading atoms ... + 26 atoms + reading velocities ... + 26 velocities + scanning bonds ... + 1 = max bonds/atom + 26 ellipsoids + reading bonds ... + 24 bonds +Finding 1-2 1-3 1-4 neighbors ... + special bond factors lj: 0 0 0 + special bond factors coul: 0 0 0 + 2 = max # of 1-2 neighbors + 2 = max # of 1-3 neighbors + 4 = max # of 1-4 neighbors + 6 = max # of special neighbors + special bonds CPU = 0.001 seconds + read_data CPU = 0.005 seconds + +mass * 3.1575 # sets per-type mass if not in data file +set atom * mass 3.1575 # sets per-atom mass +Setting atom values ... + 26 settings made for mass + +group all type 1 4 +26 atoms in group all + +# oxDNA2 bond interactions - FENE backbone +bond_style oxdna2/fene +bond_coeff * 2.0 0.25 0.7564 +special_bonds lj 0 1 1 +Finding 1-2 1-3 1-4 neighbors ... + special bond factors lj: 0 1 1 + special bond factors coul: 0 0 0 + 2 = max # of 1-2 neighbors + 2 = max # of 1-3 neighbors + 4 = max # of 1-4 neighbors + 6 = max # of special neighbors + special bonds CPU = 0.000 seconds + +# oxDNA pair interactions +pair_style hybrid/overlay oxdna2/excv oxdna2/stk oxdna2/hbond oxdna2/xstk oxdna2/coaxstk oxdna2/dh +pair_coeff * * oxdna2/excv 2.0 0.7 0.675 2.0 0.515 0.5 2.0 0.33 0.32 +pair_coeff * * oxdna2/stk seqdep ${T} 1.3523 2.6717 6.0 0.4 0.9 0.32 0.75 1.3 0 0.8 0.9 0 0.95 0.9 0 0.95 2.0 0.65 2.0 0.65 +pair_coeff * * oxdna2/stk seqdep 0.1 1.3523 2.6717 6.0 0.4 0.9 0.32 0.75 1.3 0 0.8 0.9 0 0.95 0.9 0 0.95 2.0 0.65 2.0 0.65 +pair_coeff * * oxdna2/hbond seqdep 0.0 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 + +label loop +variable base loop ${ntype} +variable base loop 4 + variable basemod equal ${base}%4 + variable basemod equal 1%4 + if "${basemod} == 1" then "variable comp equal ${base}+3" "pair_coeff ${base} ${comp} oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45" +variable comp equal ${base}+3 +variable comp equal 1+3 +pair_coeff ${base} ${comp} oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 +pair_coeff 1 ${comp} oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 +pair_coeff 1 4 oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 + if "${basemod} == 2" then "variable comp equal ${base}+1" "pair_coeff ${base} ${comp} oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45" +next base +jump in.duplex4.4type loop +variable base loop ${ntype} +variable base loop 4 + variable basemod equal ${base}%4 + variable basemod equal 2%4 + if "${basemod} == 1" then "variable comp equal ${base}+3" "pair_coeff ${base} ${comp} oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45" + if "${basemod} == 2" then "variable comp equal ${base}+1" "pair_coeff ${base} ${comp} oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45" +variable comp equal ${base}+1 +variable comp equal 2+1 +pair_coeff ${base} ${comp} oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 +pair_coeff 2 ${comp} oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 +pair_coeff 2 3 oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 +next base +jump in.duplex4.4type loop +variable base loop ${ntype} +variable base loop 4 + variable basemod equal ${base}%4 + variable basemod equal 3%4 + if "${basemod} == 1" then "variable comp equal ${base}+3" "pair_coeff ${base} ${comp} oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45" + if "${basemod} == 2" then "variable comp equal ${base}+1" "pair_coeff ${base} ${comp} oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45" +next base +jump in.duplex4.4type loop +variable base loop ${ntype} +variable base loop 4 + variable basemod equal ${base}%4 + variable basemod equal 4%4 + if "${basemod} == 1" then "variable comp equal ${base}+3" "pair_coeff ${base} ${comp} oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45" + if "${basemod} == 2" then "variable comp equal ${base}+1" "pair_coeff ${base} ${comp} oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45" +next base +jump in.duplex4.4type loop + +pair_coeff * * oxdna2/xstk 47.5 0.575 0.675 0.495 0.655 2.25 0.791592653589793 0.58 1.7 1.0 0.68 1.7 1.0 0.68 1.5 0 0.65 1.7 0.875 0.68 1.7 0.875 0.68 +pair_coeff * * oxdna2/coaxstk 58.5 0.4 0.6 0.22 0.58 2.0 2.891592653589793 0.65 1.3 0 0.8 0.9 0 0.95 0.9 0 0.95 40.0 3.116592653589793 +pair_coeff * * oxdna2/dh ${T} ${rhos} 0.815 +pair_coeff * * oxdna2/dh 0.1 ${rhos} 0.815 +pair_coeff * * oxdna2/dh 0.1 0.2 0.815 + +# Langevin dynamics +fix 1 all nve/asphere +fix 2 all langevin ${T} ${T} 2.5 457145 angmom 10 +fix 2 all langevin 0.1 ${T} 2.5 457145 angmom 10 +fix 2 all langevin 0.1 0.1 2.5 457145 angmom 10 + +timestep 1e-5 + +#comm_style tiled +fix 3 all balance 1000 1.03 shift xyz 10 1.03 +comm_modify cutoff 3.8 + +compute quat all property/atom quatw quati quatj quatk + +compute erot all erotate/asphere +compute ekin all ke +compute epot all pe +variable erot equal c_erot +variable ekin equal c_ekin +variable epot equal c_epot +variable etot equal c_erot+c_ekin+c_epot +fix 5 all print ${efreq} "$(step) ekin = ${ekin} | erot = ${erot} | epot = ${epot} | etot = ${etot}" screen yes +fix 5 all print 1000 "$(step) ekin = ${ekin} | erot = ${erot} | epot = ${epot} | etot = ${etot}" screen yes + +dump out all custom ${ofreq} out.${number}.lammpstrj id mol type x y z ix iy iz vx vy vz c_quat[1] c_quat[2] c_quat[3] c_quat[4] angmomx angmomy angmomz +dump out all custom 1000 out.${number}.lammpstrj id mol type x y z ix iy iz vx vy vz c_quat[1] c_quat[2] c_quat[3] c_quat[4] angmomx angmomy angmomz +dump out all custom 1000 out.4.lammpstrj id mol type x y z ix iy iz vx vy vz c_quat[1] c_quat[2] c_quat[3] c_quat[4] angmomx angmomy angmomz +dump_modify out sort id +dump_modify out format line "%d %d %d %22.15le %22.15le %22.15le %d %d %d %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le" + +run 1000000 +Neighbor list info ... + update every 10 steps, delay 0 steps, check yes + max neighbors/atom: 2000, page size: 100000 + master list distance cutoff = 5.6389877 + ghost atom cutoff = 5.6389877 + binsize = 2.8194939, bins = 15 15 15 + 5 neighbor lists, perpetual/occasional/extra = 5 0 0 + (1) pair oxdna2/excv, perpetual + attributes: half, newton on + pair build: half/bin/newton + stencil: half/bin/3d + bin: standard + (2) pair oxdna2/hbond, perpetual, copy from (1) + attributes: half, newton on + pair build: copy + stencil: none + bin: none + (3) pair oxdna2/xstk, perpetual, copy from (1) + attributes: half, newton on + pair build: copy + stencil: none + bin: none + (4) pair oxdna2/coaxstk, perpetual, copy from (1) + attributes: half, newton on + pair build: copy + stencil: none + bin: none + (5) pair oxdna2/dh, perpetual, copy from (1) + attributes: half, newton on + pair build: copy + stencil: none + bin: none +WARNING: Communication cutoff adjusted to 5.638987723814632 (../comm.cpp:739) +0 ekin = 3.74991604702378 | erot = 3.45272678980464 | epot = -37.3742009011421 | etot = -30.1715580643137 +Per MPI rank memory allocation (min/avg/max) = 9.321 | 9.322 | 9.323 Mbytes +Step Temp E_pair E_mol TotEng Press Volume + 0 0.099997761 -1.4717559 0.03428661 -1.2932417 5.6146609e-05 64000 +1000 ekin = 3.92430268570824 | erot = 3.29540971313705 | epot = -37.4816670091169 | etot = -30.2619546102716 +2000 ekin = 3.88644825046428 | erot = 3.58410925014822 | epot = -37.5871874286304 | etot = -30.1166299280179 +3000 ekin = 3.90603224055461 | erot = 3.7820605745286 | epot = -37.7021302921285 | etot = -30.0140374770453 +4000 ekin = 4.02636555552402 | erot = 3.91677901140303 | epot = -37.8027608694504 | etot = -29.8596163025233 +5000 ekin = 4.05442725401043 | erot = 4.07817807460239 | epot = -37.8494362833427 | etot = -29.7168309547299 +6000 ekin = 4.13499768127483 | erot = 4.03873475277248 | epot = -37.8257365098368 | etot = -29.6520040757895 +7000 ekin = 4.08584129662811 | erot = 3.9850289293034 | epot = -37.7447761711061 | etot = -29.6739059451746 +8000 ekin = 4.04473728341538 | erot = 3.70461133282257 | epot = -37.6185211079512 | etot = -29.8691724917133 +9000 ekin = 3.97040375513034 | erot = 3.89171847539017 | epot = -37.4779912856655 | etot = -29.615869055145 +10000 ekin = 4.08064552796876 | erot = 4.10399273710614 | epot = -37.3378150214196 | etot = -29.1531767563447 +11000 ekin = 3.94505548567027 | erot = 4.14758664614568 | epot = -37.2085796341435 | etot = -29.1159375023276 +12000 ekin = 3.88687763742865 | erot = 4.11256727293729 | epot = -37.1168918341091 | etot = -29.1174469237431 +13000 ekin = 3.78376547312033 | erot = 3.94997258779547 | epot = -37.0636475805865 | etot = -29.3299095196707 +14000 ekin = 3.72114827358807 | erot = 3.8386275531307 | epot = -37.053932608354 | etot = -29.4941567816353 +15000 ekin = 3.63885725366143 | erot = 3.37568559083329 | epot = -37.0775134892156 | etot = -30.0629706447209 +16000 ekin = 3.75926862366822 | erot = 3.47832285528774 | epot = -37.1763229835918 | etot = -29.9387315046358 +17000 ekin = 3.80458992549717 | erot = 3.37818714949382 | epot = -37.3270848276042 | etot = -30.1443077526132 +18000 ekin = 3.81685915102047 | erot = 3.82235577807973 | epot = -37.4876996492703 | etot = -29.84848472017 +19000 ekin = 3.80633274630077 | erot = 3.80393283337367 | epot = -37.6386270441083 | etot = -30.0283614644338 +20000 ekin = 3.77027693322166 | erot = 3.97848447130852 | epot = -37.7861726918924 | etot = -30.0374112873623 +21000 ekin = 3.75594248876353 | erot = 3.9040052393667 | epot = -37.9165000666023 | etot = -30.256552338472 +22000 ekin = 3.81729390633802 | erot = 3.70298358069288 | epot = -38.0211478246461 | etot = -30.5008703376152 +23000 ekin = 3.86462773298721 | erot = 3.52903064555356 | epot = -38.0539868057476 | etot = -30.6603284272068 +24000 ekin = 3.84611190496181 | erot = 3.47876891204884 | epot = -38.0524942369902 | etot = -30.7276134199796 +25000 ekin = 3.88431543220182 | erot = 3.80956733596685 | epot = -38.0090041212111 | etot = -30.3151213530425 +26000 ekin = 3.88520717073553 | erot = 4.04667753560885 | epot = -37.9336134642012 | etot = -30.0017287578568 +27000 ekin = 3.83553778749005 | erot = 4.1822230688838 | epot = -37.8633670830473 | etot = -29.8456062266734 +28000 ekin = 3.83638307293675 | erot = 4.13838046178327 | epot = -37.8079901228043 | etot = -29.8332265880843 +29000 ekin = 3.81360349447098 | erot = 4.16358811310883 | epot = -37.7885827024555 | etot = -29.8113910948756 +30000 ekin = 3.89572360919447 | erot = 4.04566996469694 | epot = -37.7874054211311 | etot = -29.8460118472397 +31000 ekin = 3.89393888302725 | erot = 3.55790326104643 | epot = -37.8038131932179 | etot = -30.3519710491442 +32000 ekin = 3.80317271692925 | erot = 3.54273524643289 | epot = -37.8451815180302 | etot = -30.4992735546681 +33000 ekin = 3.78703980355198 | erot = 3.99364624500505 | epot = -37.9406281896735 | etot = -30.1599421411165 +34000 ekin = 3.77142087668814 | erot = 3.88594611308826 | epot = -38.0975843525551 | etot = -30.4402173627787 +35000 ekin = 3.71264930628472 | erot = 3.65225843687428 | epot = -38.2835289304068 | etot = -30.9186211872478 +36000 ekin = 3.74220790707646 | erot = 3.95952222810306 | epot = -38.4596915935923 | etot = -30.7579614584128 +37000 ekin = 3.82423101226182 | erot = 4.44859396622374 | epot = -38.6538277887213 | etot = -30.3810028102358 +38000 ekin = 3.69455547696867 | erot = 4.82722829899239 | epot = -38.8348230288023 | etot = -30.3130392528413 +39000 ekin = 3.59548909658498 | erot = 5.03318978839692 | epot = -38.9632877762134 | etot = -30.3346088912315 +40000 ekin = 3.72390826726257 | erot = 4.77008246177612 | epot = -39.0432740898074 | etot = -30.5492833607687 +41000 ekin = 3.7184513028698 | erot = 4.66721188475367 | epot = -39.0678678855714 | etot = -30.6822046979479 +42000 ekin = 3.54696055158215 | erot = 4.50731751167309 | epot = -39.0616854007739 | etot = -31.0074073375186 +43000 ekin = 3.57495163768253 | erot = 4.94852093613527 | epot = -39.0169365666546 | etot = -30.4934639928368 +44000 ekin = 3.52915394890511 | erot = 5.14481752350043 | epot = -38.9320102816113 | etot = -30.2580388092058 +45000 ekin = 3.36103362047068 | erot = 5.30737062665214 | epot = -38.8074049309155 | etot = -30.1390006837927 +46000 ekin = 3.33204426677162 | erot = 4.63880623753686 | epot = -38.6602813061651 | etot = -30.6894308018567 +47000 ekin = 3.3454696016767 | erot = 4.07237976376904 | epot = -38.5241501078279 | etot = -31.1063007423822 +48000 ekin = 3.40049787952109 | erot = 4.05251615432415 | epot = -38.3938498073684 | etot = -30.9408357735232 +49000 ekin = 3.31008896923646 | erot = 4.20737258711353 | epot = -38.2514760468931 | etot = -30.7340144905431 +50000 ekin = 3.27384446847297 | erot = 3.84861240213725 | epot = -38.0781706006621 | etot = -30.9557137300519 +51000 ekin = 3.28837845708164 | erot = 4.03176750511312 | epot = -37.91245244037 | etot = -30.5923064781752 +52000 ekin = 3.32612610774242 | erot = 3.69449114481266 | epot = -37.7461543084422 | etot = -30.7255370558871 +53000 ekin = 3.24704253260759 | erot = 3.82351300738073 | epot = -37.5996085904177 | etot = -30.5290530504294 +54000 ekin = 3.28722266262309 | erot = 3.86366065026162 | epot = -37.4297798097099 | etot = -30.2788964968252 +55000 ekin = 3.24079189906268 | erot = 3.69908024112645 | epot = -37.2469422361785 | etot = -30.3070700959894 +56000 ekin = 3.18312456980309 | erot = 3.4713329715515 | epot = -37.0860684089786 | etot = -30.4316108676241 +57000 ekin = 3.22541795737972 | erot = 3.05594699251095 | epot = -36.9568071104524 | etot = -30.6754421605617 +58000 ekin = 3.32107899021709 | erot = 2.99608132055998 | epot = -36.8451019319947 | etot = -30.5279416212176 +59000 ekin = 3.37756033387522 | erot = 3.02468556348912 | epot = -36.7527120143503 | etot = -30.3504661169859 +60000 ekin = 3.37838518206593 | erot = 2.80486585978148 | epot = -36.6500489307867 | etot = -30.4667978889392 +61000 ekin = 3.42593058259813 | erot = 2.57336693961351 | epot = -36.5598996921937 | etot = -30.5606021699821 +62000 ekin = 3.38330194206299 | erot = 2.48716523240096 | epot = -36.4917506706074 | etot = -30.6212834961435 +63000 ekin = 3.23944564751904 | erot = 2.68514269262914 | epot = -36.4581690118124 | etot = -30.5335806716642 +64000 ekin = 3.1285734084237 | erot = 2.81379000215892 | epot = -36.4694531808167 | etot = -30.5270897702341 +65000 ekin = 3.09729001722782 | erot = 2.97796742393485 | epot = -36.4999099304855 | etot = -30.4246524893228 +66000 ekin = 3.0253262521451 | erot = 2.98352661182229 | epot = -36.5477137383998 | etot = -30.5388608744324 +67000 ekin = 3.14798260660732 | erot = 3.20065089850766 | epot = -36.632076278664 | etot = -30.283442773549 +68000 ekin = 3.28121216444374 | erot = 3.27703862715895 | epot = -36.7797333797322 | etot = -30.2214825881296 +69000 ekin = 3.391098638729 | erot = 3.49453676740748 | epot = -36.9477169900693 | etot = -30.0620815839328 +70000 ekin = 3.52145416968697 | erot = 3.19663795891383 | epot = -37.1459833247571 | etot = -30.4278911961563 +71000 ekin = 3.72588366820861 | erot = 3.11523594110609 | epot = -37.3394708863319 | etot = -30.4983512770172 +72000 ekin = 3.87053189634938 | erot = 3.51504753627337 | epot = -37.5837173340765 | etot = -30.1981379014537 +73000 ekin = 4.04353464507253 | erot = 3.57819581965 | epot = -37.8491002809692 | etot = -30.2273698162467 +74000 ekin = 4.21655599164692 | erot = 3.67972843708669 | epot = -38.0370200626718 | etot = -30.1407356339382 +75000 ekin = 4.27518037345521 | erot = 3.50148075250718 | epot = -38.1503543696651 | etot = -30.3736932437027 +76000 ekin = 4.3926037838371 | erot = 3.17711135808543 | epot = -38.226977923484 | etot = -30.6572627815614 +77000 ekin = 4.46694156592382 | erot = 3.28356630286398 | epot = -38.2567512319257 | etot = -30.5062433631379 +78000 ekin = 4.58031785764155 | erot = 3.27581240698071 | epot = -38.2501645622443 | etot = -30.3940342976221 +79000 ekin = 4.74132912230465 | erot = 3.40062659497672 | epot = -38.2259226034579 | etot = -30.0839668861765 +80000 ekin = 4.84478519554004 | erot = 3.56980153308305 | epot = -38.1476686101295 | etot = -29.7330818815064 +81000 ekin = 4.71163727716959 | erot = 3.65201658810481 | epot = -38.0489180007763 | etot = -29.6852641355019 +82000 ekin = 4.6231089457345 | erot = 3.61128178949376 | epot = -37.9515873690418 | etot = -29.7171966338136 +83000 ekin = 4.53890753637784 | erot = 3.79707688079965 | epot = -37.8589639327866 | etot = -29.5229795156091 +84000 ekin = 4.51952558800252 | erot = 3.75897913437647 | epot = -37.8043394039476 | etot = -29.5258346815686 +85000 ekin = 4.44986224636033 | erot = 4.10169839029418 | epot = -37.7952059629823 | etot = -29.2436453263278 +86000 ekin = 4.40335859262163 | erot = 4.1830315863789 | epot = -37.8405946712624 | etot = -29.2542044922618 +87000 ekin = 4.34352629789851 | erot = 4.00093225674517 | epot = -37.898177567682 | etot = -29.5537190130383 +88000 ekin = 4.39692532206231 | erot = 3.88765396717278 | epot = -37.9120170018269 | etot = -29.6274377125919 +89000 ekin = 4.35895407807686 | erot = 4.06877052706293 | epot = -37.8812041939536 | etot = -29.4534795888138 +90000 ekin = 4.2071551167368 | erot = 3.96880041117194 | epot = -37.8268382933969 | etot = -29.6508827654882 +91000 ekin = 4.22021993231722 | erot = 4.12841045745293 | epot = -37.7475084891388 | etot = -29.3988780993687 +92000 ekin = 4.13264986882769 | erot = 3.86635436032361 | epot = -37.6428932571545 | etot = -29.6438890280032 +93000 ekin = 4.05697056146709 | erot = 3.48249980793531 | epot = -37.5034004108467 | etot = -29.9639300414443 +94000 ekin = 3.85560920909802 | erot = 3.51617278195618 | epot = -37.3716848222182 | etot = -29.999902831164 +95000 ekin = 3.70696167824248 | erot = 3.74539992686897 | epot = -37.2425364302771 | etot = -29.7901748251656 +96000 ekin = 3.64541489153293 | erot = 3.55177042583762 | epot = -37.1071295289262 | etot = -29.9099442115556 +97000 ekin = 3.59427366044318 | erot = 3.58237376190948 | epot = -36.990331249798 | etot = -29.8136838274454 +98000 ekin = 3.36609732779909 | erot = 3.78920076230077 | epot = -36.8893462899051 | etot = -29.7340481998052 +99000 ekin = 3.24308716626529 | erot = 3.98439513504793 | epot = -36.7958275145338 | etot = -29.5683452132205 +100000 ekin = 3.10105716620534 | erot = 3.88380514199007 | epot = -36.7237148853891 | etot = -29.7388525771937 +101000 ekin = 3.0539281420833 | erot = 3.92712981026617 | epot = -36.7019624525075 | etot = -29.720904500158 +102000 ekin = 3.21793305977278 | erot = 4.11601242104548 | epot = -36.7682713932651 | etot = -29.4343259124469 +103000 ekin = 3.29518049820534 | erot = 4.13622147772537 | epot = -36.8839850328144 | etot = -29.4525830568837 +104000 ekin = 3.38349143563989 | erot = 4.11834556660366 | epot = -37.0170458924467 | etot = -29.5152088902031 +105000 ekin = 3.43063719220731 | erot = 4.19281995644328 | epot = -37.1501255032183 | etot = -29.5266683545677 +106000 ekin = 3.39305878697925 | erot = 4.59139499879988 | epot = -37.2962927183006 | etot = -29.3118389325215 +107000 ekin = 3.49611625167404 | erot = 4.42190170056934 | epot = -37.429825379218 | etot = -29.5118074269746 +108000 ekin = 3.59165643487548 | erot = 4.73333858652907 | epot = -37.4821370449025 | etot = -29.1571420234979 +109000 ekin = 3.59878557010273 | erot = 5.08720641062768 | epot = -37.4454225962912 | etot = -28.7594306155607 +110000 ekin = 3.52607850054496 | erot = 4.92743402067516 | epot = -37.33464551381 | etot = -28.8811329925899 +111000 ekin = 3.52196404281898 | erot = 4.48970120472513 | epot = -37.2166378630308 | etot = -29.2049726154866 +112000 ekin = 3.64094551226764 | erot = 4.18578082474288 | epot = -37.1356107687899 | etot = -29.3088844317794 +113000 ekin = 3.59908785035481 | erot = 3.81929848767576 | epot = -37.1563156196511 | etot = -29.7379292816205 +114000 ekin = 3.73247165614536 | erot = 3.71912191326134 | epot = -37.1841072802385 | etot = -29.7325137108319 +115000 ekin = 3.81386546938822 | erot = 3.49889872890813 | epot = -37.2616543115736 | etot = -29.9488901132773 +116000 ekin = 4.05829999340879 | erot = 3.583906655014 | epot = -37.400300568259 | etot = -29.7580939198362 +117000 ekin = 4.2755011092504 | erot = 3.79076820440129 | epot = -37.5923004712666 | etot = -29.5260311576149 +118000 ekin = 4.45490103530211 | erot = 3.7791518579582 | epot = -37.7846946186124 | etot = -29.5506417253521 +119000 ekin = 4.58790399115629 | erot = 3.86870152715712 | epot = -37.9811558924432 | etot = -29.5245503741297 +120000 ekin = 4.92259141545339 | erot = 3.84940365834989 | epot = -38.1382043293411 | etot = -29.3662092555378 +121000 ekin = 5.13183269148587 | erot = 4.03705087488501 | epot = -38.2560800244006 | etot = -29.0871964580297 +122000 ekin = 5.17140868558149 | erot = 3.61810962674126 | epot = -38.3381390234361 | etot = -29.5486207111134 +123000 ekin = 5.28384467069883 | erot = 4.14897954513985 | epot = -38.3803925391065 | etot = -28.9475683232678 +124000 ekin = 5.45144965935765 | erot = 3.74948516195918 | epot = -38.4152715166926 | etot = -29.2143366953758 +125000 ekin = 5.49907232704439 | erot = 3.62957174075199 | epot = -38.4698081948493 | etot = -29.3411641270529 +126000 ekin = 5.8127555292288 | erot = 3.50370762045619 | epot = -38.5369283444353 | etot = -29.2204651947503 +127000 ekin = 5.71810535961404 | erot = 3.50153411217259 | epot = -38.6097648991191 | etot = -29.3901254273324 +128000 ekin = 5.59769610955136 | erot = 2.99726680348461 | epot = -38.6545287261793 | etot = -30.0595658131433 +129000 ekin = 5.5165718206709 | erot = 3.37515224045301 | epot = -38.6909141535705 | etot = -29.7991900924466 +130000 ekin = 5.46626997343509 | erot = 3.77525421867709 | epot = -38.7059148210798 | etot = -29.4643906289676 +131000 ekin = 5.36987741440168 | erot = 3.92459463488603 | epot = -38.6781199948589 | etot = -29.3836479455712 +132000 ekin = 5.13704854269979 | erot = 3.89365302265496 | epot = -38.6113331110922 | etot = -29.5806315457375 +133000 ekin = 5.04851208372161 | erot = 4.17613618410271 | epot = -38.4969113589743 | etot = -29.2722630911499 +134000 ekin = 4.96335667475928 | erot = 4.28428652813699 | epot = -38.3084161100388 | etot = -29.0607729071425 +135000 ekin = 4.67485522816786 | erot = 3.71485446936997 | epot = -38.043760165967 | etot = -29.6540504684292 +136000 ekin = 4.48906299160435 | erot = 4.19015103736174 | epot = -37.7533241067268 | etot = -29.0741100777607 +137000 ekin = 4.31371561077628 | erot = 3.47925724303279 | epot = -37.4739407743091 | etot = -29.6809679205001 +138000 ekin = 3.96696543473046 | erot = 3.71675428283144 | epot = -37.2042587721449 | etot = -29.520539054583 +139000 ekin = 3.59101315513257 | erot = 3.64278698721023 | epot = -36.9457852108065 | etot = -29.7119850684637 +140000 ekin = 3.44095423425056 | erot = 3.49830537198601 | epot = -36.7203613080885 | etot = -29.7811017018519 +141000 ekin = 3.36296546737416 | erot = 3.56983741924016 | epot = -36.496476745137 | etot = -29.5636738585227 +142000 ekin = 3.18252441669298 | erot = 3.32935464682707 | epot = -36.324475892532 | etot = -29.812596829012 +143000 ekin = 3.18465930443875 | erot = 3.56170045589758 | epot = -36.2215210957517 | etot = -29.4751613354154 +144000 ekin = 3.08106725409761 | erot = 3.50261030291577 | epot = -36.151244725806 | etot = -29.5675671687926 +145000 ekin = 3.0809377636579 | erot = 3.51948185643664 | epot = -36.0863085456325 | etot = -29.4858889255379 +146000 ekin = 3.02030159479372 | erot = 3.37397305462396 | epot = -36.0845314152705 | etot = -29.6902567658529 +147000 ekin = 3.04139072985625 | erot = 3.36603954258544 | epot = -36.1557232229402 | etot = -29.7482929504985 +148000 ekin = 3.14853067203546 | erot = 3.14562859809661 | epot = -36.2494960139436 | etot = -29.9553367438116 +149000 ekin = 3.18195150813254 | erot = 3.58071760906396 | epot = -36.3477640598877 | etot = -29.5850949426912 +150000 ekin = 3.21133048799954 | erot = 3.85389957660273 | epot = -36.4132627454726 | etot = -29.3480326808703 +151000 ekin = 3.34144104231994 | erot = 3.4939153763212 | epot = -36.478294453089 | etot = -29.6429380344479 +152000 ekin = 3.38469121090087 | erot = 3.35926284582863 | epot = -36.5578474424846 | etot = -29.8138933857551 +153000 ekin = 3.52527639525619 | erot = 3.56811727016302 | epot = -36.6674257186119 | etot = -29.5740320531927 +154000 ekin = 3.77924799771019 | erot = 3.52145795256778 | epot = -36.762260192104 | etot = -29.4615542418261 +155000 ekin = 3.83418008764597 | erot = 3.28305394597542 | epot = -36.8282659682366 | etot = -29.7110319346152 +156000 ekin = 3.87517167307501 | erot = 2.75621015438911 | epot = -36.8507311290658 | etot = -30.2193493016017 +157000 ekin = 3.89846784481905 | erot = 3.03513966490474 | epot = -36.8490467787065 | etot = -29.9154392689827 +158000 ekin = 3.86372390524152 | erot = 3.067331408384 | epot = -36.8143502444314 | etot = -29.8832949308059 +159000 ekin = 3.8756082258688 | erot = 2.72238394226933 | epot = -36.772006665376 | etot = -30.1740144972379 +160000 ekin = 3.816595406495 | erot = 2.7916288304199 | epot = -36.7456092138712 | etot = -30.1373849769563 +161000 ekin = 3.90364665450467 | erot = 2.85891130626936 | epot = -36.6767188031102 | etot = -29.9141608423362 +162000 ekin = 3.93432840871765 | erot = 3.23277686088016 | epot = -36.6068502811304 | etot = -29.4397450115325 +163000 ekin = 3.97425577903384 | erot = 2.70754263327067 | epot = -36.5720643915927 | etot = -29.8902659792882 +164000 ekin = 3.91949827572841 | erot = 3.0566880418144 | epot = -36.581283859358 | etot = -29.6050975418151 +165000 ekin = 3.9942517956167 | erot = 3.29785069907587 | epot = -36.6379374004759 | etot = -29.3458349057833 +166000 ekin = 4.02904533815552 | erot = 3.36634066781836 | epot = -36.7340868254039 | etot = -29.33870081943 +167000 ekin = 4.03733260337014 | erot = 3.51733984448515 | epot = -36.8476519248274 | etot = -29.2929794769721 +168000 ekin = 4.01641387278363 | erot = 3.37538682559175 | epot = -36.971098022016 | etot = -29.5792973236406 +169000 ekin = 3.94799788750035 | erot = 3.38842418926848 | epot = -37.1207420196436 | etot = -29.7843199428747 +170000 ekin = 3.98944239104564 | erot = 3.56779767670635 | epot = -37.292260024934 | etot = -29.735019957182 +171000 ekin = 4.04980262307328 | erot = 3.8730831046424 | epot = -37.4956434312018 | etot = -29.5727577034861 +172000 ekin = 4.10498686245119 | erot = 4.24595756362535 | epot = -37.6879527015218 | etot = -29.3370082754453 +173000 ekin = 4.12919710204917 | erot = 4.28575123018794 | epot = -37.8940672883491 | etot = -29.479118956112 +174000 ekin = 4.04607401980725 | erot = 4.41784593637421 | epot = -38.1063274639935 | etot = -29.642407507812 +175000 ekin = 4.13007220306937 | erot = 4.3967913469306 | epot = -38.3139522350313 | etot = -29.7870886850313 +176000 ekin = 4.1414636964047 | erot = 4.25565002500116 | epot = -38.5085743578727 | etot = -30.1114606364668 +177000 ekin = 4.33605278083852 | erot = 4.58687123058771 | epot = -38.663345411644 | etot = -29.7404214002177 +178000 ekin = 4.3268891648432 | erot = 4.50454813785607 | epot = -38.7700089206451 | etot = -29.9385716179458 +179000 ekin = 4.39331384776191 | erot = 4.88121292734115 | epot = -38.8147888868657 | etot = -29.5402621117627 +180000 ekin = 4.36409495919781 | erot = 4.62653667682595 | epot = -38.7920356589674 | etot = -29.8014040229436 +181000 ekin = 4.40002739116619 | erot = 4.26572305349555 | epot = -38.732090098002 | etot = -30.0663396533403 +182000 ekin = 4.38584471768798 | erot = 4.03958660380944 | epot = -38.6652721860918 | etot = -30.2398408645944 +183000 ekin = 4.38872118980235 | erot = 4.03920994265157 | epot = -38.5494953603399 | etot = -30.121564227886 +184000 ekin = 4.58261674670928 | erot = 4.09854761999429 | epot = -38.385824841967 | etot = -29.7046604752634 +185000 ekin = 4.61324410405523 | erot = 4.15998485211153 | epot = -38.1895073749228 | etot = -29.416278418756 +186000 ekin = 4.58712030480541 | erot = 3.80292929559516 | epot = -37.9691363595882 | etot = -29.5790867591876 +187000 ekin = 4.49704057160018 | erot = 3.79953063209063 | epot = -37.7563677349906 | etot = -29.4597965312998 +188000 ekin = 4.67801335458731 | erot = 3.94614018085653 | epot = -37.5596730791519 | etot = -28.9355195437081 +189000 ekin = 4.72635028851209 | erot = 3.97986342680415 | epot = -37.3737961852725 | etot = -28.6675824699563 +190000 ekin = 4.7042288678312 | erot = 3.76567525080941 | epot = -37.196832874262 | etot = -28.7269287556214 +191000 ekin = 4.76615905270403 | erot = 4.11771710042025 | epot = -37.0524866708229 | etot = -28.1686105176986 +192000 ekin = 4.66334615993905 | erot = 4.32180108624872 | epot = -36.9281089002537 | etot = -27.9429616540659 +193000 ekin = 4.54227272612665 | erot = 4.37403333624804 | epot = -36.8106507982267 | etot = -27.894344735852 +194000 ekin = 4.462583886268 | erot = 4.57094153868338 | epot = -36.7126835627942 | etot = -27.6791581378429 +195000 ekin = 4.26009039309661 | erot = 5.10893274622673 | epot = -36.6717506302939 | etot = -27.3027274909705 +196000 ekin = 4.24016895096413 | erot = 4.95101320260786 | epot = -36.6607739952153 | etot = -27.4695918416433 +197000 ekin = 4.07555507933054 | erot = 5.3373115761178 | epot = -36.6886082622519 | etot = -27.2757416068035 +198000 ekin = 3.98091713951368 | erot = 5.37374733968393 | epot = -36.7238260637148 | etot = -27.3691615845172 +199000 ekin = 4.0006733079207 | erot = 5.36035180423053 | epot = -36.7643724815872 | etot = -27.403347369436 +200000 ekin = 3.91652525767982 | erot = 4.88675678602831 | epot = -36.7730308398529 | etot = -27.9697487961448 +201000 ekin = 3.81609915882208 | erot = 4.31400854830159 | epot = -36.7481890160651 | etot = -28.6180813089414 +202000 ekin = 3.71932569397591 | erot = 4.38569878861434 | epot = -36.6956778034205 | etot = -28.5906533208303 +203000 ekin = 3.6429062307207 | erot = 4.3750378945926 | epot = -36.6304609598585 | etot = -28.6125168345452 +204000 ekin = 3.52854777039972 | erot = 4.29732321046263 | epot = -36.5744389849187 | etot = -28.7485680040564 +205000 ekin = 3.47688319826114 | erot = 4.05205396768161 | epot = -36.531456554712 | etot = -29.0025193887692 +206000 ekin = 3.57867350058512 | erot = 4.2868191467488 | epot = -36.5152410045852 | etot = -28.6497483572513 +207000 ekin = 3.67789472949123 | erot = 4.07649115773256 | epot = -36.4807964879222 | etot = -28.7264106006985 +208000 ekin = 3.75162300302636 | erot = 3.99412890438549 | epot = -36.4719013777705 | etot = -28.7261494703586 +209000 ekin = 3.82882555476977 | erot = 4.07806686544388 | epot = -36.5274965379165 | etot = -28.6206041177029 +210000 ekin = 3.9458995738135 | erot = 4.05524037388635 | epot = -36.6356567037899 | etot = -28.6345167560901 +211000 ekin = 4.07654365300251 | erot = 3.99406586158705 | epot = -36.7715123193756 | etot = -28.7009028047861 +212000 ekin = 4.28409313331832 | erot = 4.41351434873083 | epot = -36.9240266223076 | etot = -28.2264191402585 +213000 ekin = 4.49200123945991 | erot = 4.57752549048093 | epot = -37.0744914076607 | etot = -28.0049646777198 +214000 ekin = 4.68170470060552 | erot = 4.83486386570226 | epot = -37.2372407583265 | etot = -27.7206721920187 +215000 ekin = 4.98081379617907 | erot = 4.46606343482571 | epot = -37.4068324828893 | etot = -27.9599552518845 +216000 ekin = 5.16729766417649 | erot = 4.60318830168464 | epot = -37.546455570517 | etot = -27.7759696046559 +217000 ekin = 5.38386929678543 | erot = 4.77752494373566 | epot = -37.6405601527457 | etot = -27.4791659122246 +218000 ekin = 5.7058164504652 | erot = 4.70370884810736 | epot = -37.698401969983 | etot = -27.2888766714105 +219000 ekin = 5.88600523163575 | erot = 4.58694924042826 | epot = -37.7125786046513 | etot = -27.2396241325873 +220000 ekin = 6.15427965488963 | erot = 4.42931316972489 | epot = -37.6846020761394 | etot = -27.1010092515249 +221000 ekin = 6.20955938015943 | erot = 4.54001725187623 | epot = -37.6213945439905 | etot = -26.8718179119549 +222000 ekin = 6.24568472622515 | erot = 4.97311797105802 | epot = -37.5132484834206 | etot = -26.2944457861374 +223000 ekin = 6.23087495739475 | erot = 4.87026240860754 | epot = -37.4093126450282 | etot = -26.3081752790259 +224000 ekin = 6.34215727178104 | erot = 4.95416073100343 | epot = -37.3138628835635 | etot = -26.017544880779 +225000 ekin = 6.34418551658282 | erot = 4.97197547495999 | epot = -37.2296241301023 | etot = -25.9134631385595 +226000 ekin = 6.27234146176753 | erot = 4.712320761698 | epot = -37.16490911443 | etot = -26.1802468909645 +227000 ekin = 6.29782050547387 | erot = 4.64279996368984 | epot = -37.1521034204924 | etot = -26.2114829513287 +228000 ekin = 6.45215375342329 | erot = 4.66543105642573 | epot = -37.1176036705896 | etot = -26.0000188607406 +229000 ekin = 6.57609932445413 | erot = 4.31104294387352 | epot = -37.0319087568376 | etot = -26.1447664885099 +230000 ekin = 6.3941596764924 | erot = 4.16613500609599 | epot = -36.9020701489014 | etot = -26.341775466313 +231000 ekin = 6.06981997767513 | erot = 4.16164382030047 | epot = -36.7672531588279 | etot = -26.5357893608523 +232000 ekin = 6.07851417086582 | erot = 3.92614169635025 | epot = -36.6287349588706 | etot = -26.6240790916545 +233000 ekin = 5.86578448983374 | erot = 3.89415959164517 | epot = -36.465034335415 | etot = -26.7050902539361 +234000 ekin = 5.66525736866247 | erot = 3.89419060194184 | epot = -36.3317105619283 | etot = -26.772262591324 +235000 ekin = 5.45947253618382 | erot = 3.51915643493605 | epot = -36.1877403763664 | etot = -27.2091114052465 +236000 ekin = 5.23839596197748 | erot = 3.35080370425763 | epot = -36.0601413821509 | etot = -27.4709417159157 +237000 ekin = 5.11015038693027 | erot = 3.41418634041097 | epot = -35.9797234474552 | etot = -27.455386720114 +238000 ekin = 5.07705507560246 | erot = 3.55422258848944 | epot = -35.9558941013165 | etot = -27.3246164372246 +239000 ekin = 5.11036683512567 | erot = 3.60903830571379 | epot = -35.9686036709486 | etot = -27.2491985301092 +240000 ekin = 5.05273101840451 | erot = 3.85355249273515 | epot = -36.0380166955248 | etot = -27.1317331843852 +241000 ekin = 5.09369536459292 | erot = 3.6433800043733 | epot = -36.1343234897539 | etot = -27.3972481207877 +242000 ekin = 5.26488817621227 | erot = 4.01055195692897 | epot = -36.2412063129141 | etot = -26.9657661797729 +243000 ekin = 5.23195261672929 | erot = 4.46546566729833 | epot = -36.345605429643 | etot = -26.6481871456153 +244000 ekin = 5.22638739434401 | erot = 4.31088904489896 | epot = -36.4415840114135 | etot = -26.9043075721705 +245000 ekin = 5.44853137039486 | erot = 4.17607977278288 | epot = -36.5182986507189 | etot = -26.8936875075411 +246000 ekin = 5.51456970399734 | erot = 3.7459544203853 | epot = -36.5760003166761 | etot = -27.3154761922935 +247000 ekin = 5.60809096899872 | erot = 4.15307717654149 | epot = -36.6102851986096 | etot = -26.8491170530694 +248000 ekin = 5.44607700345041 | erot = 4.00137483235449 | epot = -36.6173189081378 | etot = -27.1698670723329 +249000 ekin = 5.39824066997391 | erot = 4.00527284085302 | epot = -36.6178595818604 | etot = -27.2143460710335 +250000 ekin = 5.40591864200621 | erot = 3.83152692098389 | epot = -36.5913298844141 | etot = -27.3538843214239 +251000 ekin = 5.42515843147756 | erot = 3.74120297831872 | epot = -36.5372880481644 | etot = -27.3709266383681 +252000 ekin = 5.4712575658911 | erot = 3.93923600749343 | epot = -36.4718103145524 | etot = -27.0613167411679 +253000 ekin = 5.45280164405796 | erot = 4.07788577485834 | epot = -36.3971958399354 | etot = -26.8665084210191 +254000 ekin = 5.351360104931 | erot = 4.05065697891534 | epot = -36.3208515747331 | etot = -26.9188344908867 +255000 ekin = 5.26929844479126 | erot = 3.99546469631013 | epot = -36.2503502909171 | etot = -26.9855871498158 +256000 ekin = 5.28023678974981 | erot = 4.22040986008114 | epot = -36.1946445254556 | etot = -26.6939978756247 +257000 ekin = 5.06048081748237 | erot = 4.23177072887926 | epot = -36.1310700373981 | etot = -26.8388184910365 +258000 ekin = 5.04266904507291 | erot = 4.32321520327971 | epot = -36.0647093578756 | etot = -26.6988251095229 +259000 ekin = 4.83091830266356 | erot = 4.34656742782584 | epot = -36.0089991272069 | etot = -26.8315133967175 +260000 ekin = 4.836699911676 | erot = 4.25709648660297 | epot = -35.96970369746 | etot = -26.875907299181 +261000 ekin = 4.77396719262991 | erot = 4.0929221497623 | epot = -35.9054139064718 | etot = -27.0385245640796 +262000 ekin = 4.6660127085841 | erot = 3.73102576614632 | epot = -35.8157479345105 | etot = -27.4187094597801 +263000 ekin = 4.58027061960237 | erot = 3.74679758350867 | epot = -35.7631254737833 | etot = -27.4360572706722 +264000 ekin = 4.65921569864907 | erot = 3.90501973343979 | epot = -35.7356757776858 | etot = -27.1714403455969 +265000 ekin = 4.67586149937357 | erot = 3.94654925905527 | epot = -35.7049387943769 | etot = -27.0825280359481 +266000 ekin = 4.69584694538616 | erot = 3.98055672084523 | epot = -35.6673176149281 | etot = -26.9909139486967 +267000 ekin = 4.78499421533014 | erot = 4.0364816915833 | epot = -35.6392507408913 | etot = -26.8177748339778 +268000 ekin = 4.84316914009132 | erot = 3.9986077800244 | epot = -35.6448334716871 | etot = -26.8030565515714 +269000 ekin = 4.90837806472402 | erot = 4.04652570535906 | epot = -35.6496420701673 | etot = -26.6947383000842 +270000 ekin = 4.78579400655356 | erot = 4.34179455226934 | epot = -35.6115561484025 | etot = -26.4839675895796 +271000 ekin = 4.85153732395834 | erot = 3.76641259729514 | epot = -35.613775306659 | etot = -26.9958253854055 +272000 ekin = 4.97803664593813 | erot = 4.19853764559888 | epot = -35.66422567808 | etot = -26.487651386543 +273000 ekin = 4.99431287425886 | erot = 4.16775756950246 | epot = -35.7125500141237 | etot = -26.5504795703624 +274000 ekin = 5.02755533075327 | erot = 4.06015777810426 | epot = -35.7335253506941 | etot = -26.6458122418365 +275000 ekin = 4.96372481963275 | erot = 4.27522667590852 | epot = -35.7375976828865 | etot = -26.4986461873452 +276000 ekin = 5.07934127118678 | erot = 4.03884457577036 | epot = -35.7684807851686 | etot = -26.6502949382115 +277000 ekin = 5.11065676525152 | erot = 3.89593355388357 | epot = -35.8299825238668 | etot = -26.8233922047317 +278000 ekin = 5.14434493464948 | erot = 4.10431801630069 | epot = -35.9156424264978 | etot = -26.6669794755476 +279000 ekin = 5.13854043459747 | erot = 3.33687958464002 | epot = -35.9567280939811 | etot = -27.4813080747437 +280000 ekin = 5.13698711985543 | erot = 3.1321095347802 | epot = -35.9663254349012 | etot = -27.6972287802656 +281000 ekin = 5.12014323326354 | erot = 3.01072130069868 | epot = -35.9687821467586 | etot = -27.8379176127964 +282000 ekin = 5.0748729819616 | erot = 2.78222371236629 | epot = -35.9666224009213 | etot = -28.1095257065934 +283000 ekin = 4.93728532174382 | erot = 2.51682526487889 | epot = -36.0092096947433 | etot = -28.5550991081205 +284000 ekin = 5.10799487537326 | erot = 2.34406164243711 | epot = -36.0766867016223 | etot = -28.6246301838119 +285000 ekin = 5.21438921802967 | erot = 2.42355410917311 | epot = -36.1686025783611 | etot = -28.5306592511584 +286000 ekin = 5.22674428893558 | erot = 2.43127546535952 | epot = -36.2811716154217 | etot = -28.6231518611266 +287000 ekin = 5.42842235635899 | erot = 2.80110266939532 | epot = -36.3926299688269 | etot = -28.1631049430726 +288000 ekin = 5.53841609379804 | erot = 3.04198571498546 | epot = -36.5118610231694 | etot = -27.9314592143859 +289000 ekin = 5.3467040301105 | erot = 3.09938875481675 | epot = -36.6304827875393 | etot = -28.184390002612 +290000 ekin = 5.34231674745426 | erot = 3.31160144161375 | epot = -36.7456392368754 | etot = -28.0917210478074 +291000 ekin = 5.36188526202177 | erot = 3.45917476353394 | epot = -36.8302537236161 | etot = -28.0091936980603 +292000 ekin = 5.47780509141152 | erot = 3.77906726321804 | epot = -36.8842491471654 | etot = -27.6273767925359 +293000 ekin = 5.28302000096844 | erot = 3.57818629599035 | epot = -36.8949841799423 | etot = -28.0337778829835 +294000 ekin = 5.30853543438815 | erot = 3.56263204697584 | epot = -36.8825736697856 | etot = -28.0114061884216 +295000 ekin = 5.20536069491162 | erot = 3.77206495855666 | epot = -36.8703913967998 | etot = -27.8929657433315 +296000 ekin = 5.16948391824595 | erot = 3.64242202500107 | epot = -36.8524591521914 | etot = -28.0405532089444 +297000 ekin = 5.14948698293416 | erot = 3.5630007131842 | epot = -36.8077681088433 | etot = -28.095280412725 +298000 ekin = 5.07831718808015 | erot = 3.56647326916591 | epot = -36.7441951556035 | etot = -28.0994046983574 +299000 ekin = 5.07638833142119 | erot = 3.33911289208736 | epot = -36.7050879472261 | etot = -28.2895867237176 +300000 ekin = 5.03413727775465 | erot = 3.74853034027346 | epot = -36.6636621891821 | etot = -27.880994571154 +301000 ekin = 4.97235848835827 | erot = 3.32835758650059 | epot = -36.6711630757898 | etot = -28.370447000931 +302000 ekin = 5.0096895871007 | erot = 3.04854259478463 | epot = -36.7093256921458 | etot = -28.6510935102605 +303000 ekin = 5.12929110471125 | erot = 3.0802372254872 | epot = -36.7951841728067 | etot = -28.5856558426083 +304000 ekin = 5.16690416140484 | erot = 3.34049274708998 | epot = -36.9126194047401 | etot = -28.4052224962453 +305000 ekin = 5.23349789631504 | erot = 3.46551744359714 | epot = -37.0448370009165 | etot = -28.3458216610043 +306000 ekin = 5.2886097452738 | erot = 3.56105103024495 | epot = -37.1811985422466 | etot = -28.3315377667279 +307000 ekin = 5.40125295123197 | erot = 3.87520415097948 | epot = -37.30553234416 | etot = -28.0290752419485 +308000 ekin = 5.46740727789042 | erot = 3.91865002312583 | epot = -37.389277815527 | etot = -28.0032205145107 +309000 ekin = 5.43990046762824 | erot = 4.00265425349909 | epot = -37.4336308324254 | etot = -27.991076111298 +310000 ekin = 5.38744019614249 | erot = 3.91760045067581 | epot = -37.4766997166659 | etot = -28.1716590698476 +311000 ekin = 5.54869794564873 | erot = 3.97913763348747 | epot = -37.5380640420298 | etot = -28.0102284628936 +312000 ekin = 5.71519006739875 | erot = 4.09263126769848 | epot = -37.5745318459452 | etot = -27.766710510848 +313000 ekin = 5.60331607661102 | erot = 3.83543196463859 | epot = -37.6101139619702 | etot = -28.1713659207206 +314000 ekin = 5.5180041708143 | erot = 3.7494474523439 | epot = -37.6279066647949 | etot = -28.3604550416367 +315000 ekin = 5.47833005901007 | erot = 4.08581993263796 | epot = -37.6406124353411 | etot = -28.0764624436931 +316000 ekin = 5.33860837296308 | erot = 4.51116644302033 | epot = -37.6217312448187 | etot = -27.7719564288353 +317000 ekin = 5.23941916557626 | erot = 4.78689518832633 | epot = -37.5731600528525 | etot = -27.5468456989499 +318000 ekin = 5.11187775633088 | erot = 4.8295881268003 | epot = -37.5155006216098 | etot = -27.5740347384786 +319000 ekin = 5.22954347525669 | erot = 4.49457407004892 | epot = -37.4371163833055 | etot = -27.7129988379999 +320000 ekin = 5.30878948863373 | erot = 4.92186054084621 | epot = -37.3586788029377 | etot = -27.1280287734577 +321000 ekin = 5.25051542685368 | erot = 4.81963950413293 | epot = -37.3122945279909 | etot = -27.2421395970043 +322000 ekin = 5.07574443571119 | erot = 4.74007360204251 | epot = -37.2420599117422 | etot = -27.4262418739885 +323000 ekin = 5.0265325350937 | erot = 4.66604787555056 | epot = -37.1620424354779 | etot = -27.4694620248336 +324000 ekin = 5.12999279273048 | erot = 4.55456244400843 | epot = -37.1081993843435 | etot = -27.4236441476046 +325000 ekin = 5.01484863365259 | erot = 5.03270116093541 | epot = -37.0549970668844 | etot = -27.0074472722964 +326000 ekin = 5.15105125743363 | erot = 4.77726330645675 | epot = -37.0062804471437 | etot = -27.0779658832534 +327000 ekin = 5.17373663939357 | erot = 4.75720955177068 | epot = -36.9735735310225 | etot = -27.0426273398583 +328000 ekin = 5.3265809986392 | erot = 4.45847251670634 | epot = -36.9463177254326 | etot = -27.1612642100871 +329000 ekin = 5.28491385975229 | erot = 4.23650020870599 | epot = -36.9151642788529 | etot = -27.3937502103946 +330000 ekin = 5.12552135481235 | erot = 4.79027984581653 | epot = -36.8863179466158 | etot = -26.9705167459869 +331000 ekin = 5.12103290586643 | erot = 5.03778117543898 | epot = -36.841363047454 | etot = -26.6825489661486 +332000 ekin = 5.06929714597605 | erot = 4.90820597157557 | epot = -36.7488012231946 | etot = -26.771298105643 +333000 ekin = 4.96505468499555 | erot = 5.01335794632778 | epot = -36.6271163009911 | etot = -26.6487036696678 +334000 ekin = 4.99343125906659 | erot = 5.01439694959199 | epot = -36.5036049758887 | etot = -26.4957767672301 +335000 ekin = 4.90069371729875 | erot = 4.54385275511657 | epot = -36.3777599646381 | etot = -26.9332134922228 +336000 ekin = 5.07863725672875 | erot = 4.69305135725135 | epot = -36.2629152842756 | etot = -26.4912266702956 +337000 ekin = 4.94799955754133 | erot = 4.52583833193069 | epot = -36.1612360033462 | etot = -26.6873981138742 +338000 ekin = 4.85224868200284 | erot = 4.50041298245555 | epot = -36.0752991866383 | etot = -26.7226375221799 +339000 ekin = 4.72144640536423 | erot = 4.54752039051223 | epot = -35.9970632546972 | etot = -26.7280964588208 +340000 ekin = 4.80943098922164 | erot = 4.34708343509498 | epot = -35.9687361528352 | etot = -26.8122217285186 +341000 ekin = 4.70361214653931 | erot = 4.47793300498463 | epot = -35.9999322617905 | etot = -26.8183871102666 +342000 ekin = 4.76064761481744 | erot = 4.66605256976241 | epot = -36.0433784122729 | etot = -26.616678227693 +343000 ekin = 4.67728032528768 | erot = 4.6610083917642 | epot = -35.9211632159824 | etot = -26.5828744989305 +344000 ekin = 4.96339724601181 | erot = 4.93823124551168 | epot = -36.2212250614817 | etot = -26.3195965699582 +345000 ekin = 4.92216540601158 | erot = 5.10460165774345 | epot = -36.3841924486034 | etot = -26.3574253848484 +346000 ekin = 4.99792813974856 | erot = 4.77882820289903 | epot = -36.4406602112533 | etot = -26.6639038686057 +347000 ekin = 4.97738387739107 | erot = 4.57238123569529 | epot = -36.4353446283208 | etot = -26.8855795152344 +348000 ekin = 4.92451917191307 | erot = 4.32330547944774 | epot = -36.3741726686486 | etot = -27.1263480172878 +349000 ekin = 4.7901834448853 | erot = 4.64955099606445 | epot = -36.2232051796221 | etot = -26.7834707386723 +350000 ekin = 4.74997485376102 | erot = 4.41441619333004 | epot = -36.0086530481284 | etot = -26.8442620010373 +351000 ekin = 4.65861306362097 | erot = 4.54712008187945 | epot = -35.7312651155867 | etot = -26.5255319700863 +352000 ekin = 4.64876538273139 | erot = 4.76138349321515 | epot = -35.4506369361125 | etot = -26.0404880601659 +353000 ekin = 4.59253342080998 | erot = 4.29456686626234 | epot = -35.1553683981332 | etot = -26.2682681110609 +354000 ekin = 4.53810163149175 | erot = 4.43945254667827 | epot = -34.9111484982539 | etot = -25.9335943200839 +355000 ekin = 4.47391617267565 | erot = 4.20275229581248 | epot = -34.7382448152827 | etot = -26.0615763467945 +356000 ekin = 4.33084740359816 | erot = 4.16589789857799 | epot = -34.6459462576645 | etot = -26.1492009554884 +357000 ekin = 4.27639689643504 | erot = 4.49834201135675 | epot = -34.6234093478584 | etot = -25.8486704400666 +358000 ekin = 4.37058163127524 | erot = 4.6282751781028 | epot = -34.6601229270853 | etot = -25.6612661177073 +359000 ekin = 4.33282658147824 | erot = 4.35852771696217 | epot = -34.7355034140381 | etot = -26.0441491155977 +360000 ekin = 4.23025745994598 | erot = 3.7369218729668 | epot = -34.827271441646 | etot = -26.8600921087332 +361000 ekin = 4.32772510308485 | erot = 3.40799158120903 | epot = -34.9260321184264 | etot = -27.1903154341325 +362000 ekin = 4.4377220758705 | erot = 3.92824256651614 | epot = -35.0362517129441 | etot = -26.6702870705575 +363000 ekin = 4.60059512711655 | erot = 3.78527820800773 | epot = -35.149230388508 | etot = -26.7633570533837 +364000 ekin = 4.67620778921741 | erot = 3.65656363116 | epot = -35.2108467629341 | etot = -26.8780753425567 +365000 ekin = 4.68744796027325 | erot = 3.48647035761111 | epot = -35.257929142539 | etot = -27.0840108246547 +366000 ekin = 4.6317169465738 | erot = 3.80732263161735 | epot = -35.3317328424945 | etot = -26.8926932643033 +367000 ekin = 4.58794520776095 | erot = 4.31664541166351 | epot = -35.4114076873989 | etot = -26.5068170679744 +368000 ekin = 4.53697760644319 | erot = 4.37812449310847 | epot = -35.4654560531487 | etot = -26.550353953597 +369000 ekin = 4.50593348762442 | erot = 4.09682529638616 | epot = -35.5029044754857 | etot = -26.9001456914751 +370000 ekin = 4.51011536275109 | erot = 4.41695795738163 | epot = -35.5220659543716 | etot = -26.5949926342389 +371000 ekin = 4.5304986013542 | erot = 4.68112317412985 | epot = -35.5213297387008 | etot = -26.3097079632167 +372000 ekin = 4.42660066351873 | erot = 4.7814861185934 | epot = -35.5227844835438 | etot = -26.3146977014317 +373000 ekin = 4.28146792836394 | erot = 4.87997662616399 | epot = -35.4825501780567 | etot = -26.3211056235288 +374000 ekin = 4.13287464156696 | erot = 4.84001159820223 | epot = -35.452301102515 | etot = -26.4794148627458 +375000 ekin = 4.12545451947128 | erot = 4.81807433824656 | epot = -35.4637375699464 | etot = -26.5202087122286 +376000 ekin = 3.87506271806601 | erot = 5.35141111797735 | epot = -35.4720072259955 | etot = -26.2455333899521 +377000 ekin = 3.79770565908006 | erot = 5.28013401771271 | epot = -35.5177354201972 | etot = -26.4398957434045 +378000 ekin = 3.64048261255644 | erot = 5.4207242379617 | epot = -35.580823638477 | etot = -26.5196167879589 +379000 ekin = 3.5238611157663 | erot = 5.9756700460675 | epot = -35.6532146067628 | etot = -26.153683444929 +380000 ekin = 3.32387900413165 | erot = 6.59135162244908 | epot = -35.7551331169146 | etot = -25.8399024903339 +381000 ekin = 3.31695717077427 | erot = 6.10983514346606 | epot = -35.8815158952865 | etot = -26.4547235810462 +382000 ekin = 3.19546651526091 | erot = 6.36489840257035 | epot = -35.9926058393694 | etot = -26.4322409215381 +383000 ekin = 3.2436816976457 | erot = 6.33114976953688 | epot = -36.0664601033041 | etot = -26.4916286361216 +384000 ekin = 3.20726412806376 | erot = 6.19392941274209 | epot = -36.1325810920204 | etot = -26.7313875512146 +385000 ekin = 3.23885859839745 | erot = 6.31552666314741 | epot = -36.1503271354807 | etot = -26.5959418739358 +386000 ekin = 3.1687441170802 | erot = 5.94413881699916 | epot = -36.1310192334962 | etot = -27.0181362994169 +387000 ekin = 3.15499705249205 | erot = 5.48308596050856 | epot = -36.0714221491833 | etot = -27.4333391361827 +388000 ekin = 3.24907989403005 | erot = 5.58200944567837 | epot = -35.9925882356968 | etot = -27.1614988959884 +389000 ekin = 3.39871525437692 | erot = 5.14342534967113 | epot = -35.926273930772 | etot = -27.384133326724 +390000 ekin = 3.53157771561143 | erot = 5.06601106990858 | epot = -35.9089837935163 | etot = -27.3113950079963 +391000 ekin = 3.6460216873691 | erot = 4.8866150487515 | epot = -35.8854822304094 | etot = -27.3528454942888 +392000 ekin = 3.79325143536293 | erot = 5.07292816992976 | epot = -35.852420754602 | etot = -26.9862411493093 +393000 ekin = 3.89148460233043 | erot = 5.02930522203654 | epot = -35.7951222586314 | etot = -26.8743324342644 +394000 ekin = 3.96458882833113 | erot = 4.47630346760482 | epot = -35.7247928997475 | etot = -27.2839006038116 +395000 ekin = 4.03856036181243 | erot = 4.53784941780784 | epot = -35.6586367417744 | etot = -27.0822269621541 +396000 ekin = 3.9968364670664 | erot = 4.49727898211243 | epot = -35.5718421340363 | etot = -27.0777266848575 +397000 ekin = 4.03872005304064 | erot = 4.03153022392497 | epot = -35.5101946272745 | etot = -27.4399443503089 +398000 ekin = 4.01516330519928 | erot = 4.23226303701212 | epot = -35.4578715559687 | etot = -27.2104452137573 +399000 ekin = 4.0192261656521 | erot = 3.71642260618994 | epot = -35.3548490578809 | etot = -27.6192002860389 +400000 ekin = 4.17225085372021 | erot = 4.04093039429581 | epot = -35.2265510847564 | etot = -27.0133698367403 +401000 ekin = 4.15314996432513 | erot = 3.6480496120942 | epot = -35.0943512868028 | etot = -27.2931517103835 +402000 ekin = 4.20245298417931 | erot = 3.70137380667405 | epot = -34.9745627237165 | etot = -27.0707359328631 +403000 ekin = 4.3413245622893 | erot = 3.62891618665746 | epot = -34.8718657472305 | etot = -26.9016249982838 +404000 ekin = 4.42465890243314 | erot = 3.38938035287092 | epot = -34.7967250831433 | etot = -26.9826858278392 +405000 ekin = 4.6066304195345 | erot = 3.44054758174428 | epot = -34.7925257887169 | etot = -26.7453477874381 +406000 ekin = 4.73346375173105 | erot = 3.27915256113149 | epot = -34.8343083282585 | etot = -26.8216920153959 +407000 ekin = 4.82559135473407 | erot = 3.35253133282278 | epot = -34.90590665538 | etot = -26.7277839678232 +408000 ekin = 4.89298564336973 | erot = 3.47339817729168 | epot = -34.9848536782097 | etot = -26.6184698575483 +409000 ekin = 4.94069048180864 | erot = 3.76649967413614 | epot = -35.0728065521188 | etot = -26.365616396174 +410000 ekin = 5.08376278297818 | erot = 3.48855890171057 | epot = -35.1876079350125 | etot = -26.6152862503238 +411000 ekin = 5.10492342399052 | erot = 3.39152717909368 | epot = -35.2939784996996 | etot = -26.7975278966154 +412000 ekin = 5.21115921489285 | erot = 3.62435455589207 | epot = -35.3853247581666 | etot = -26.5498109873817 +413000 ekin = 5.25687541732564 | erot = 3.76308251202552 | epot = -35.4593584594676 | etot = -26.4394005301164 +414000 ekin = 5.13248472496979 | erot = 3.31025282824712 | epot = -35.5393093363075 | etot = -27.0965717830906 +415000 ekin = 5.09217261574502 | erot = 3.59401320391344 | epot = -35.605161792403 | etot = -26.9189759727445 +416000 ekin = 5.04807348985189 | erot = 3.48392073248403 | epot = -35.6748296719208 | etot = -27.1428354495849 +417000 ekin = 4.99138526936695 | erot = 3.46255923404111 | epot = -35.7531502554479 | etot = -27.2992057520398 +418000 ekin = 5.08999508315071 | erot = 3.44390708246907 | epot = -35.8333696081099 | etot = -27.2994674424901 +419000 ekin = 5.21842750435904 | erot = 3.38325168590942 | epot = -35.8593643490788 | etot = -27.2576851588103 +420000 ekin = 5.28947719533084 | erot = 3.50797044377639 | epot = -35.8848039905135 | etot = -27.0873563514062 +421000 ekin = 5.35268927232105 | erot = 3.36603650801218 | epot = -35.8749221051677 | etot = -27.1561963248345 +422000 ekin = 5.23695191026783 | erot = 3.53841920706918 | epot = -35.889640869454 | etot = -27.114269752117 +423000 ekin = 5.09577504756719 | erot = 3.67923583037255 | epot = -35.9137595336544 | etot = -27.1387486557147 +424000 ekin = 5.01335188112952 | erot = 3.70110718137053 | epot = -35.9185617531992 | etot = -27.2041026906992 +425000 ekin = 5.05206155589202 | erot = 3.57652002072466 | epot = -35.9081181462494 | etot = -27.2795365696328 +426000 ekin = 4.96532396129122 | erot = 3.38938274590579 | epot = -35.8769982527928 | etot = -27.5222915455958 +427000 ekin = 4.77195218714222 | erot = 3.50252627514243 | epot = -35.7935414010633 | etot = -27.5190629387787 +428000 ekin = 4.81068646615363 | erot = 3.51825958765464 | epot = -35.6664317412184 | etot = -27.3374856874101 +429000 ekin = 4.73870321335416 | erot = 3.84986931063865 | epot = -35.4873764559103 | etot = -26.8988039319175 +430000 ekin = 4.602137148251 | erot = 3.45284870606445 | epot = -35.3073410925575 | etot = -27.2523552382421 +431000 ekin = 4.57358006593881 | erot = 3.25422348182542 | epot = -35.136759491896 | etot = -27.3089559441318 +432000 ekin = 4.50724003680402 | erot = 3.29998192315333 | epot = -35.029042571088 | etot = -27.2218206111307 +433000 ekin = 4.3086049570317 | erot = 3.42741416873377 | epot = -34.9513402987258 | etot = -27.2153211729603 +434000 ekin = 4.18610269286836 | erot = 3.55059973000638 | epot = -34.9144648758598 | etot = -27.1777624529851 +435000 ekin = 4.12003359590284 | erot = 3.78033374370934 | epot = -34.8780591099563 | etot = -26.9776917703441 +436000 ekin = 3.97313974106134 | erot = 4.05117020636249 | epot = -34.8427841720092 | etot = -26.8184742245853 +437000 ekin = 3.88596008320786 | erot = 4.32902730055979 | epot = -34.8121331683379 | etot = -26.5971457845702 +438000 ekin = 4.03003221046435 | erot = 4.35508047283409 | epot = -34.7917492531094 | etot = -26.4066365698109 +439000 ekin = 4.04655148511162 | erot = 4.17322604141029 | epot = -34.7786348227556 | etot = -26.5588572962337 +440000 ekin = 4.02801522674504 | erot = 4.13470601724881 | epot = -34.7839930854156 | etot = -26.6212718414218 +441000 ekin = 3.94078147941953 | erot = 4.22144190117307 | epot = -34.8185771480927 | etot = -26.6563537675001 +442000 ekin = 3.97730990695675 | erot = 4.24233406975324 | epot = -34.8718962191135 | etot = -26.6522522424035 +443000 ekin = 3.98508138243256 | erot = 4.16122580291799 | epot = -34.9266782585662 | etot = -26.7803710732156 +444000 ekin = 4.00042709081923 | erot = 4.50741850480102 | epot = -34.9630696153487 | etot = -26.4552240197285 +445000 ekin = 4.02620459576038 | erot = 4.64580325301018 | epot = -34.9893039643637 | etot = -26.3172961155932 +446000 ekin = 4.0145460872058 | erot = 4.89747165518641 | epot = -34.9969089036749 | etot = -26.0848911612827 +447000 ekin = 3.96342694873324 | erot = 4.85867800390665 | epot = -34.9830933662455 | etot = -26.1609884136056 +448000 ekin = 3.74592315828131 | erot = 5.1757843335798 | epot = -34.9638816619608 | etot = -26.0421741700997 +449000 ekin = 3.73316291077384 | erot = 5.18498661281975 | epot = -34.9280438941249 | etot = -26.0098943705313 +450000 ekin = 3.85313039093449 | erot = 4.86926583888879 | epot = -34.8716969798347 | etot = -26.1493007500114 +451000 ekin = 4.06359280531127 | erot = 4.99817049859075 | epot = -34.8377147695099 | etot = -25.7759514656079 +452000 ekin = 4.12215980217286 | erot = 4.58488292412149 | epot = -34.8398353293665 | etot = -26.1327926030721 +453000 ekin = 4.16332842884541 | erot = 4.32671008371143 | epot = -34.8570499988887 | etot = -26.3670114863319 +454000 ekin = 4.11754892618409 | erot = 4.47415692336229 | epot = -34.8913194738514 | etot = -26.299613624305 +455000 ekin = 4.22185774995348 | erot = 4.65517828169311 | epot = -34.9334347985054 | etot = -26.0563987668588 +456000 ekin = 4.30177202276143 | erot = 4.77747798616556 | epot = -35.0188770940117 | etot = -25.9396270850847 +457000 ekin = 4.26451460758689 | erot = 4.69009499467528 | epot = -35.1021143238348 | etot = -26.1475047215727 +458000 ekin = 4.31289289804763 | erot = 4.48148846421258 | epot = -35.1135359976466 | etot = -26.3191546353864 +459000 ekin = 4.40924309472714 | erot = 4.70052929057868 | epot = -35.3709113999309 | etot = -26.2611390146251 +460000 ekin = 4.47691183250296 | erot = 4.50574141189019 | epot = -35.566195356935 | etot = -26.5835421125418 +461000 ekin = 4.43873436995011 | erot = 4.99077626253916 | epot = -35.6310455171599 | etot = -26.2015348846706 +462000 ekin = 4.38932525316365 | erot = 4.94989100042644 | epot = -35.7174404682254 | etot = -26.3782242146353 +463000 ekin = 4.36115268480796 | erot = 5.66229263913986 | epot = -35.782873692384 | etot = -25.7594283684361 +464000 ekin = 4.32411863133124 | erot = 5.21874712372938 | epot = -35.8318174183589 | etot = -26.2889516632982 +465000 ekin = 4.25283049437862 | erot = 4.8931192840781 | epot = -35.8307748329833 | etot = -26.6848250545266 +466000 ekin = 3.97961054012235 | erot = 4.30523919521523 | epot = -35.8019205162808 | etot = -27.5170707809433 +467000 ekin = 3.96957942645156 | erot = 4.02414635207124 | epot = -35.7935881476342 | etot = -27.7998623691114 +468000 ekin = 3.81067149059143 | erot = 3.9131157389001 | epot = -35.819204604463 | etot = -28.0954173749715 +469000 ekin = 3.82956653035967 | erot = 3.76358708523009 | epot = -35.8554657317441 | etot = -28.2623121161543 +470000 ekin = 3.84315155223098 | erot = 3.46319185355978 | epot = -35.9283028420653 | etot = -28.6219594362746 +471000 ekin = 3.8418988592029 | erot = 3.51787257644846 | epot = -36.0370536568195 | etot = -28.6772822211681 +472000 ekin = 3.86861114122384 | erot = 3.36458500068064 | epot = -36.1368322989854 | etot = -28.9036361570809 +473000 ekin = 3.73700168734246 | erot = 3.58329228877727 | epot = -36.2233655143222 | etot = -28.9030715382025 +474000 ekin = 3.82928273613545 | erot = 3.70070391401538 | epot = -36.2919855352844 | etot = -28.7619988851335 +475000 ekin = 3.89544030960044 | erot = 3.76401640046801 | epot = -36.3684307389009 | etot = -28.7089740288324 +476000 ekin = 4.0893276711336 | erot = 3.70907901754989 | epot = -36.4684310716314 | etot = -28.6700243829479 +477000 ekin = 4.15334136664104 | erot = 3.70899967496297 | epot = -36.5311600367348 | etot = -28.6688189951308 +478000 ekin = 4.07512882728816 | erot = 3.80913887771415 | epot = -36.5715417700048 | etot = -28.6872740650025 +479000 ekin = 3.96184225144677 | erot = 3.6758426322944 | epot = -36.6049454628525 | etot = -28.9672605791113 +480000 ekin = 3.86072911979603 | erot = 3.85211085064388 | epot = -36.610629225252 | etot = -28.8977892548121 +481000 ekin = 3.78563823255496 | erot = 4.024314099233 | epot = -36.6044682584304 | etot = -28.7945159266424 +482000 ekin = 3.81986353724786 | erot = 3.94457553240304 | epot = -36.5556242495873 | etot = -28.7911851799364 +483000 ekin = 3.91937069687011 | erot = 3.97985471481356 | epot = -36.4953515335744 | etot = -28.5961261218907 +484000 ekin = 3.90565472316292 | erot = 3.68508276016196 | epot = -36.426514232721 | etot = -28.8357767493961 +485000 ekin = 3.97067640669154 | erot = 3.52818833629947 | epot = -36.3385351029693 | etot = -28.8396703599783 +486000 ekin = 4.08924338068675 | erot = 3.45150371793067 | epot = -36.2407040808296 | etot = -28.6999569822122 +487000 ekin = 4.07761729530311 | erot = 3.69577064304002 | epot = -36.1174543397078 | etot = -28.3440664013647 +488000 ekin = 3.98120330041688 | erot = 4.01179749212345 | epot = -35.9662140009127 | etot = -27.9732132083724 +489000 ekin = 3.94304108511324 | erot = 4.09948585344502 | epot = -35.8365811443688 | etot = -27.7940542058105 +490000 ekin = 3.98200750178142 | erot = 4.19330655565614 | epot = -35.7436522395709 | etot = -27.5683381821333 +491000 ekin = 4.0445360131927 | erot = 4.06864604679586 | epot = -35.6813038605064 | etot = -27.5681218005179 +492000 ekin = 4.10478194610759 | erot = 4.27931273272407 | epot = -35.6201850620984 | etot = -27.2360903832667 +493000 ekin = 4.14218811078688 | erot = 4.30328516243005 | epot = -35.5529321721737 | etot = -27.1074588989568 +494000 ekin = 4.15483197917442 | erot = 4.22087230768742 | epot = -35.5007035923716 | etot = -27.1249993055097 +495000 ekin = 4.26671892357353 | erot = 4.2174513730416 | epot = -35.4450128389817 | etot = -26.9608425423665 +496000 ekin = 4.42373869014864 | erot = 3.65535322096919 | epot = -35.3933064942846 | etot = -27.3142145831668 +497000 ekin = 4.57363309591074 | erot = 3.63766344362461 | epot = -35.3630685420969 | etot = -27.1517720025615 +498000 ekin = 4.7241733979429 | erot = 3.40665904233571 | epot = -35.3570714026405 | etot = -27.2262389623619 +499000 ekin = 4.76806375994884 | erot = 3.58204839805338 | epot = -35.3646341268605 | etot = -27.0145219688582 +500000 ekin = 4.86803273232494 | erot = 3.40069391727077 | epot = -35.4199817543288 | etot = -27.1512551047331 +501000 ekin = 4.96743307602633 | erot = 3.46724128896382 | epot = -35.4970649677138 | etot = -27.0623906027237 +502000 ekin = 4.91929166862602 | erot = 3.57165212036747 | epot = -35.5889625489531 | etot = -27.0980187599596 +503000 ekin = 4.90703913138654 | erot = 3.86458875313982 | epot = -35.6771862828243 | etot = -26.9055583982979 +504000 ekin = 5.13705335061953 | erot = 3.53695462968337 | epot = -35.7347477259475 | etot = -27.0607397456447 +505000 ekin = 5.23249143944192 | erot = 3.46343104093346 | epot = -35.7820571844978 | etot = -27.0861347041225 +506000 ekin = 5.11675278315682 | erot = 3.72067186509955 | epot = -35.8198968197669 | etot = -26.9824721715105 +507000 ekin = 5.18993901387439 | erot = 4.1521508584772 | epot = -35.8269271672407 | etot = -26.4848372948891 +508000 ekin = 4.98597878226577 | erot = 4.11598571894018 | epot = -35.7826195676297 | etot = -26.6806550664237 +509000 ekin = 4.89412425677653 | erot = 4.30807642739921 | epot = -35.6890852058576 | etot = -26.4868845216819 +510000 ekin = 4.89504815268988 | erot = 4.4601383758423 | epot = -35.589321566643 | etot = -26.2341350381108 +511000 ekin = 4.85835750083372 | erot = 4.41721118692769 | epot = -35.4748886415738 | etot = -26.1993199538124 +512000 ekin = 4.85632567301955 | erot = 4.5850146787013 | epot = -35.3170557845391 | etot = -25.8757154328183 +513000 ekin = 4.79088228903384 | erot = 4.41898249223044 | epot = -35.1398620511897 | etot = -25.9299972699254 +514000 ekin = 4.84082723167301 | erot = 4.10048582144458 | epot = -34.9528940279417 | etot = -26.0115809748241 +515000 ekin = 4.66396867258878 | erot = 3.70795325472635 | epot = -34.8081323279138 | etot = -26.4362104005987 +516000 ekin = 4.45203722260375 | erot = 3.7424161749216 | epot = -34.7399422586779 | etot = -26.5454888611526 +517000 ekin = 4.39320763550285 | erot = 3.61293763489201 | epot = -34.7115969229747 | etot = -26.7054516525798 +518000 ekin = 4.33516267423081 | erot = 3.46685163663661 | epot = -34.720559171622 | etot = -26.9185448607546 +519000 ekin = 4.32678001120794 | erot = 3.83331308599435 | epot = -34.7543932584756 | etot = -26.5943001612733 +520000 ekin = 4.16017569753271 | erot = 3.9944210337637 | epot = -34.7797387277814 | etot = -26.625141996485 +521000 ekin = 4.01091284601559 | erot = 4.71227661622668 | epot = -34.8119764016186 | etot = -26.0887869393764 +522000 ekin = 3.92555868149862 | erot = 4.67306017627902 | epot = -34.8638412525405 | etot = -26.2652223947629 +523000 ekin = 4.10629342994171 | erot = 4.23690821219818 | epot = -34.9392637364657 | etot = -26.5960620943258 +524000 ekin = 4.1696440613856 | erot = 4.51539305326675 | epot = -35.0302476439302 | etot = -26.3452105292779 +525000 ekin = 4.14574067413424 | erot = 4.59255192964534 | epot = -35.1665459803978 | etot = -26.4282533766182 +526000 ekin = 4.29635804775357 | erot = 5.38181203699227 | epot = -35.3702076593234 | etot = -25.6920375745776 +527000 ekin = 4.43341423246316 | erot = 5.4208701656537 | epot = -35.5881352754175 | etot = -25.7338508773006 +528000 ekin = 4.65221997264034 | erot = 5.64432261927448 | epot = -35.7907306535607 | etot = -25.4941880616459 +529000 ekin = 4.75833001518884 | erot = 6.22279494556851 | epot = -35.9649272181715 | etot = -24.9838022574141 +530000 ekin = 4.85254900576381 | erot = 6.26630645812944 | epot = -36.1175112827236 | etot = -24.9986558188304 +531000 ekin = 4.88314038497963 | erot = 6.22256761998181 | epot = -36.2218727030893 | etot = -25.1161646981279 +532000 ekin = 4.89429192132453 | erot = 6.19376619305378 | epot = -36.2791850407377 | etot = -25.1911269263594 +533000 ekin = 4.98074956905508 | erot = 6.71246035574299 | epot = -36.2873072492243 | etot = -24.5940973244262 +534000 ekin = 5.05914514163858 | erot = 6.72049132345737 | epot = -36.2541186702092 | etot = -24.4744822051133 +535000 ekin = 4.98307281629278 | erot = 6.60876507020557 | epot = -36.1722591997822 | etot = -24.5804213132839 +536000 ekin = 4.92092214615514 | erot = 6.71824597922614 | epot = -36.0492643890662 | etot = -24.4100962636849 +537000 ekin = 4.73594122849326 | erot = 6.46069540815287 | epot = -35.9116294607657 | etot = -24.7149928241196 +538000 ekin = 4.79280389212897 | erot = 6.10794151385135 | epot = -35.7423046160132 | etot = -24.8415592100329 +539000 ekin = 4.77579753855637 | erot = 5.9721718852028 | epot = -35.533600981652 | etot = -24.7856315578928 +540000 ekin = 4.59343353220661 | erot = 6.02882315943306 | epot = -35.2969540919923 | etot = -24.6746974003527 +541000 ekin = 4.56261508857308 | erot = 5.60884609986364 | epot = -35.0742414984787 | etot = -24.9027803100419 +542000 ekin = 4.42304079078362 | erot = 5.24180126466464 | epot = -34.8728664426876 | etot = -25.2080243872393 +543000 ekin = 4.31458565966317 | erot = 5.30648118805705 | epot = -34.6809264080033 | etot = -25.0598595602831 +544000 ekin = 4.16990383767329 | erot = 5.09480741715239 | epot = -34.5077033118773 | etot = -25.2429920570516 +545000 ekin = 4.0350640414587 | erot = 4.95913193735204 | epot = -34.3738505570895 | etot = -25.3796545782788 +546000 ekin = 4.05283758597051 | erot = 4.62357416672448 | epot = -34.2732549004478 | etot = -25.5968431477528 +547000 ekin = 3.91892476341122 | erot = 4.42471065792707 | epot = -34.1888485564157 | etot = -25.8452131350775 +548000 ekin = 3.85923648383067 | erot = 4.18493881932566 | epot = -34.1251823218199 | etot = -26.0810070186636 +549000 ekin = 3.8927709556134 | erot = 4.20183962759803 | epot = -34.0968256559691 | etot = -26.0022150727577 +550000 ekin = 3.88489313663799 | erot = 4.06987350840239 | epot = -34.0834989925537 | etot = -26.1287323475133 +551000 ekin = 3.87639970039868 | erot = 4.25043058335745 | epot = -34.0931086790782 | etot = -25.966278395322 +552000 ekin = 3.88627319211786 | erot = 4.00102033547709 | epot = -34.1638602914377 | etot = -26.2765667638428 +553000 ekin = 4.05569156373879 | erot = 3.56403629580222 | epot = -34.247483486424 | etot = -26.627755626883 +554000 ekin = 4.2562683800156 | erot = 3.70804766862547 | epot = -34.2954308218039 | etot = -26.3311147731628 +555000 ekin = 4.2648740703529 | erot = 3.78496110408358 | epot = -34.3412268896543 | etot = -26.2913917152178 +556000 ekin = 4.24622902964984 | erot = 4.0345482038853 | epot = -34.3344093396379 | etot = -26.0536321061027 +557000 ekin = 4.07319669837868 | erot = 3.86372668854368 | epot = -34.2640157691761 | etot = -26.3270923822537 +558000 ekin = 3.99489306447001 | erot = 3.82027814531877 | epot = -34.1455461859517 | etot = -26.3303749761629 +559000 ekin = 4.00179663426026 | erot = 3.82651776959122 | epot = -33.9924674804774 | etot = -26.1641530766259 +560000 ekin = 3.90938418270038 | erot = 3.49539199637374 | epot = -33.8018928207122 | etot = -26.3971166416381 +561000 ekin = 3.70375196060242 | erot = 3.38165869548244 | epot = -33.6157331642902 | etot = -26.5303225082053 +562000 ekin = 3.64392595608208 | erot = 3.67997084627168 | epot = -33.4612560312997 | etot = -26.1373592289459 +563000 ekin = 3.59769761679666 | erot = 3.74125845764501 | epot = -33.3480734777506 | etot = -26.0091174033089 +564000 ekin = 3.5872532535469 | erot = 3.35524020938125 | epot = -33.2675171968359 | etot = -26.3250237339077 +565000 ekin = 3.63835964444035 | erot = 3.77402574563864 | epot = -33.2409015523647 | etot = -25.8285161622857 +566000 ekin = 3.64384501808487 | erot = 3.7751512348732 | epot = -33.2503593116355 | etot = -25.8313630586774 +567000 ekin = 3.6321441767138 | erot = 3.8685448978813 | epot = -33.2603190278778 | etot = -25.7596299532827 +568000 ekin = 3.76759211618971 | erot = 3.97321014856349 | epot = -33.2947231384392 | etot = -25.553920873686 +569000 ekin = 3.75607920629668 | erot = 3.9189350411434 | epot = -33.3766443391882 | etot = -25.7016300917481 +570000 ekin = 3.88570178164772 | erot = 3.87013370061556 | epot = -33.4676246266775 | etot = -25.7117891444142 +571000 ekin = 3.91109063039641 | erot = 4.3887336637963 | epot = -33.5301619269295 | etot = -25.2303376327368 +572000 ekin = 3.91357367536979 | erot = 4.54669425634091 | epot = -33.5613071721028 | etot = -25.1010392403921 +573000 ekin = 4.00256460245984 | erot = 4.69928602914621 | epot = -33.5479654090577 | etot = -24.8461147774517 +574000 ekin = 4.04557469411533 | erot = 4.85104808888571 | epot = -33.4823141367214 | etot = -24.5856913537203 +575000 ekin = 4.0199044833131 | erot = 4.48360936846638 | epot = -33.4090682352886 | etot = -24.9055543835092 +576000 ekin = 3.80770420634942 | erot = 4.40902984739946 | epot = -33.3559765416152 | etot = -25.1392424878663 +577000 ekin = 3.6517677072366 | erot = 4.69770290650927 | epot = -33.3414847753623 | etot = -24.9920141616164 +578000 ekin = 3.65416507269722 | erot = 5.09984939028998 | epot = -33.3628873386869 | etot = -24.6088728756997 +579000 ekin = 3.65457514215454 | erot = 4.83085466504592 | epot = -33.4229058723711 | etot = -24.9374760651706 +580000 ekin = 3.61022362260481 | erot = 5.21507039569769 | epot = -33.5257015423975 | etot = -24.700407524095 +581000 ekin = 3.49491427592295 | erot = 5.80898315058308 | epot = -33.6374701054959 | etot = -24.3335726789899 +582000 ekin = 3.45150652331289 | erot = 5.2079729472947 | epot = -33.7413132898281 | etot = -25.0818338192205 +583000 ekin = 3.43883253778232 | erot = 4.99240818298342 | epot = -33.7992206024429 | etot = -25.3679798816772 +584000 ekin = 3.41950743994087 | erot = 5.30429667829858 | epot = -33.8273198616881 | etot = -25.1035157434487 +585000 ekin = 3.52988736379348 | erot = 5.26888625710225 | epot = -33.8562169326849 | etot = -25.0574433117891 +586000 ekin = 3.54522421505718 | erot = 5.15182886320371 | epot = -33.8748034063863 | etot = -25.1777503281254 +587000 ekin = 3.64975640444384 | erot = 4.43116878399003 | epot = -33.8790223191813 | etot = -25.7980971307475 +588000 ekin = 3.85787406303082 | erot = 4.33848995606314 | epot = -33.9012642894904 | etot = -25.7049002703965 +589000 ekin = 3.9487150884209 | erot = 4.36958758855423 | epot = -33.9512157067315 | etot = -25.6329130297563 +590000 ekin = 4.04576150007675 | erot = 4.34777620153069 | epot = -33.9849374243128 | etot = -25.5913997227054 +591000 ekin = 4.13483818439914 | erot = 4.28475308123698 | epot = -33.9975372243776 | etot = -25.5779459587414 +592000 ekin = 4.2556680414864 | erot = 4.00241438742696 | epot = -33.990517302247 | etot = -25.7324348733336 +593000 ekin = 4.26695504286551 | erot = 3.75133860519216 | epot = -33.9824243028376 | etot = -25.9641306547799 +594000 ekin = 4.24513038558056 | erot = 3.88826331815755 | epot = -33.9597952629293 | etot = -25.8264015591912 +595000 ekin = 4.33307108334646 | erot = 3.92609577318174 | epot = -33.9197199407777 | etot = -25.6605530842495 +596000 ekin = 4.23611726585149 | erot = 3.89070717461491 | epot = -33.8740124837561 | etot = -25.7471880432897 +597000 ekin = 4.40233879096614 | erot = 3.9973813082447 | epot = -33.8902431987866 | etot = -25.4905230995758 +598000 ekin = 4.23795477390351 | erot = 4.04526003588007 | epot = -33.9155939268417 | etot = -25.6323791170582 +599000 ekin = 4.13745802989045 | erot = 3.88641709707911 | epot = -33.9296772436184 | etot = -25.9058021166489 +600000 ekin = 4.21239990479469 | erot = 3.82373814742802 | epot = -33.9651236246 | etot = -25.9289855723773 +601000 ekin = 4.3196997334027 | erot = 3.98399943561167 | epot = -34.0172721411615 | etot = -25.7135729721471 +602000 ekin = 4.27803621196727 | erot = 4.02063732656524 | epot = -34.100698422985 | etot = -25.8020248844525 +603000 ekin = 4.31016670434268 | erot = 4.06109056998715 | epot = -34.2290225355021 | etot = -25.8577652611723 +604000 ekin = 4.35436231281196 | erot = 4.27081433433549 | epot = -34.3693989473758 | etot = -25.7442223002283 +605000 ekin = 4.29263786573731 | erot = 4.35816455015996 | epot = -34.5293522620234 | etot = -25.8785498461262 +606000 ekin = 4.23493766333436 | erot = 4.45889694601822 | epot = -34.6959569640143 | etot = -26.0021223546617 +607000 ekin = 4.21589668454932 | erot = 4.35851580050772 | epot = -34.8643734064673 | etot = -26.2899609214103 +608000 ekin = 4.31617609118378 | erot = 4.3711843404177 | epot = -35.0106665625392 | etot = -26.3233061309377 +609000 ekin = 4.40054829762945 | erot = 4.09556922746408 | epot = -35.1090427558591 | etot = -26.6129252307656 +610000 ekin = 4.3836017973497 | erot = 4.43080811091093 | epot = -35.1590130940816 | etot = -26.344603185821 +611000 ekin = 4.30911071721019 | erot = 4.66858603342393 | epot = -35.1997741362033 | etot = -26.2220773855692 +612000 ekin = 4.38115044344101 | erot = 4.62952065066664 | epot = -35.2189008927601 | etot = -26.2082297986524 +613000 ekin = 4.49640333428488 | erot = 4.73033949191661 | epot = -35.2311946320133 | etot = -26.0044518058118 +614000 ekin = 4.42698019674918 | erot = 4.54387450238904 | epot = -35.227024565465 | etot = -26.2561698663268 +615000 ekin = 4.36293882049166 | erot = 4.65167437175536 | epot = -35.250009814436 | etot = -26.235396622189 +616000 ekin = 4.25552094369167 | erot = 3.9677335799062 | epot = -35.262646565401 | etot = -27.0393920418031 +617000 ekin = 4.02844203107201 | erot = 3.93306028038377 | epot = -35.3085438772361 | etot = -27.3470415657803 +618000 ekin = 3.91410624199631 | erot = 3.99915504239052 | epot = -35.3773572154985 | etot = -27.4640959311117 +619000 ekin = 3.92944334041051 | erot = 3.65858234543171 | epot = -35.4549579850513 | etot = -27.8669322992091 +620000 ekin = 3.94632769198491 | erot = 4.05357915876533 | epot = -35.5452298743848 | etot = -27.5453230236346 +621000 ekin = 4.00876452457166 | erot = 4.1855795236138 | epot = -35.6568787558288 | etot = -27.4625347076433 +622000 ekin = 3.97770547832637 | erot = 4.20428409244743 | epot = -35.7853832130653 | etot = -27.6033936422915 +623000 ekin = 3.8762340917962 | erot = 4.44200976918091 | epot = -35.9345595163545 | etot = -27.6163156553774 +624000 ekin = 3.81461749379632 | erot = 4.73413928443226 | epot = -36.0610458736423 | etot = -27.5122890954137 +625000 ekin = 3.8970241751503 | erot = 4.51967995490342 | epot = -36.1593702506674 | etot = -27.7426661206137 +626000 ekin = 4.05285181951198 | erot = 5.1220971455114 | epot = -36.2373709478026 | etot = -27.0624219827792 +627000 ekin = 4.06919694856985 | erot = 5.16853241383701 | epot = -36.2459696084315 | etot = -27.0082402460246 +628000 ekin = 3.97574634490127 | erot = 5.15377915037519 | epot = -36.1860007276685 | etot = -27.0564752323921 +629000 ekin = 3.97847076093846 | erot = 4.98743417354896 | epot = -36.0841602963358 | etot = -27.1182553618484 +630000 ekin = 3.82117049554739 | erot = 4.72915936447924 | epot = -35.9627884752438 | etot = -27.4124586152171 +631000 ekin = 3.86461141431221 | erot = 4.86154549634944 | epot = -35.8061457051957 | etot = -27.079988794534 +632000 ekin = 3.74664734149851 | erot = 4.54810894057643 | epot = -35.6214135997296 | etot = -27.3266573176547 +633000 ekin = 3.70561564688244 | erot = 3.84492477779421 | epot = -35.4366028892501 | etot = -27.8860624645735 +634000 ekin = 3.59215409071661 | erot = 3.93871515972471 | epot = -35.2896538627899 | etot = -27.7587846123486 +635000 ekin = 3.50545587494383 | erot = 4.06717110382211 | epot = -35.1730596180146 | etot = -27.6004326392486 +636000 ekin = 3.3309454150286 | erot = 4.07821458070327 | epot = -35.1077038533349 | etot = -27.6985438576031 +637000 ekin = 3.14505217998963 | erot = 4.05756077132584 | epot = -35.1055524080615 | etot = -27.902939456746 +638000 ekin = 3.09050584392239 | erot = 4.40258652090821 | epot = -35.1570633539889 | etot = -27.6639709891583 +639000 ekin = 3.0768733321709 | erot = 4.16491810908563 | epot = -35.2467836386719 | etot = -28.0049921974154 +640000 ekin = 3.00973730805073 | erot = 4.2692418133335 | epot = -35.3354522376085 | etot = -28.0564731162243 +641000 ekin = 2.94445196408833 | erot = 4.64391413205119 | epot = -35.4644644387967 | etot = -27.8760983426572 +642000 ekin = 2.98442414954633 | erot = 4.9974755612433 | epot = -35.6290057034216 | etot = -27.647105992632 +643000 ekin = 3.2055646953209 | erot = 4.8025531791329 | epot = -35.7795885297939 | etot = -27.7714706553401 +644000 ekin = 3.2748821402377 | erot = 4.64957731616621 | epot = -35.9161733239261 | etot = -27.9917138675222 +645000 ekin = 3.41323831995007 | erot = 4.71321420527612 | epot = -36.0213663956164 | etot = -27.8949138703902 +646000 ekin = 3.56963422518167 | erot = 4.46391006184254 | epot = -36.0597764612018 | etot = -28.0262321741776 +647000 ekin = 3.65146108953765 | erot = 4.34882885781933 | epot = -36.05397385258 | etot = -28.053683905223 +648000 ekin = 3.80589253043839 | erot = 4.22505125234649 | epot = -35.9957895068647 | etot = -27.9648457240799 +649000 ekin = 4.01844415748841 | erot = 4.19109412255817 | epot = -35.9180061331759 | etot = -27.7084678531293 +650000 ekin = 4.03810277748572 | erot = 3.86362623058913 | epot = -35.8260490160444 | etot = -27.9243200079695 +651000 ekin = 4.14203944570719 | erot = 3.56888807374706 | epot = -35.7087423281397 | etot = -27.9978148086855 +652000 ekin = 4.23250261214715 | erot = 3.18710224409382 | epot = -35.6367851174034 | etot = -28.2171802611624 +653000 ekin = 4.36352642926009 | erot = 3.20148998566011 | epot = -35.6464209942557 | etot = -28.0814045793355 +654000 ekin = 4.5279203243997 | erot = 3.02237039454743 | epot = -35.6995719521313 | etot = -28.1492812331841 +655000 ekin = 4.60546960877517 | erot = 2.96007185178719 | epot = -35.8223013228812 | etot = -28.2567598623188 +656000 ekin = 4.78956137676064 | erot = 3.38896158834621 | epot = -35.9826527468557 | etot = -27.8041297817489 +657000 ekin = 4.78481247088243 | erot = 3.67040934516473 | epot = -36.1522101931049 | etot = -27.6969883770578 +658000 ekin = 4.68735602442224 | erot = 4.10635530609359 | epot = -36.3122539915072 | etot = -27.5185426609914 +659000 ekin = 4.79643464434907 | erot = 4.3109166795532 | epot = -36.419822200132 | etot = -27.3124708762297 +660000 ekin = 4.65613606555515 | erot = 4.00182169137307 | epot = -36.5017357753405 | etot = -27.8437780184123 +661000 ekin = 4.53939481189422 | erot = 4.39327864100633 | epot = -36.5522379560179 | etot = -27.6195645031173 +662000 ekin = 4.62075189021993 | erot = 4.64171304234686 | epot = -36.5458752748482 | etot = -27.2834103422814 +663000 ekin = 4.60627251324235 | erot = 4.44191382325803 | epot = -36.5358428119696 | etot = -27.4876564754693 +664000 ekin = 4.53224877457463 | erot = 4.69535654970068 | epot = -36.5440045789042 | etot = -27.3163992546289 +665000 ekin = 4.33791904761007 | erot = 4.79511074251925 | epot = -36.5712979957099 | etot = -27.4382682055805 +666000 ekin = 4.01034004769843 | erot = 5.14475630277467 | epot = -36.6275167021873 | etot = -27.4724203517142 +667000 ekin = 3.92791037721622 | erot = 5.11805894759237 | epot = -36.702269731521 | etot = -27.6563004067124 +668000 ekin = 3.69207242860568 | erot = 4.95115852091685 | epot = -36.7748284431555 | etot = -28.1315974936329 +669000 ekin = 3.52850414694839 | erot = 5.30513713121047 | epot = -36.8468924103841 | etot = -28.0132511322252 +670000 ekin = 3.43685158392413 | erot = 5.67353767341476 | epot = -36.8571678878591 | etot = -27.7467786305202 +671000 ekin = 3.37237891900207 | erot = 4.81383151363256 | epot = -36.7898772614734 | etot = -28.6036668288388 +672000 ekin = 3.4214286448957 | erot = 4.47410705082151 | epot = -36.6509805759937 | etot = -28.7554448802765 +673000 ekin = 3.47620696197726 | erot = 4.53468812753541 | epot = -36.4695914666411 | etot = -28.4586963771284 +674000 ekin = 3.34015467342477 | erot = 4.56003540036704 | epot = -36.2728042740009 | etot = -28.3726142002091 +675000 ekin = 3.26558121431926 | erot = 4.75716318196978 | epot = -36.0812448824919 | etot = -28.0585004862029 +676000 ekin = 3.30557173090095 | erot = 4.66626180335478 | epot = -35.8858133485377 | etot = -27.9139798142819 +677000 ekin = 3.38252137148669 | erot = 4.6897922284426 | epot = -35.7238379181691 | etot = -27.6515243182398 +678000 ekin = 3.33430766992633 | erot = 4.45636421682294 | epot = -35.5898515746333 | etot = -27.799179687884 +679000 ekin = 3.26716522041019 | erot = 4.13643141690213 | epot = -35.528216056043 | etot = -28.1246194187307 +680000 ekin = 3.22330491222221 | erot = 4.11355311991397 | epot = -35.5522418172928 | etot = -28.2153837851566 +681000 ekin = 3.27654998707768 | erot = 4.40088508884104 | epot = -35.6343431031197 | etot = -27.956908027201 +682000 ekin = 3.38403402082966 | erot = 4.64957783602955 | epot = -35.7255960652577 | etot = -27.6919842083985 +683000 ekin = 3.58392532059449 | erot = 4.15499488835506 | epot = -35.8541956283831 | etot = -28.1152754194335 +684000 ekin = 3.63284008875691 | erot = 4.14497212696397 | epot = -36.0448350473496 | etot = -28.2670228316288 +685000 ekin = 3.75538152185656 | erot = 3.95609692494439 | epot = -36.2462524041832 | etot = -28.5347739573822 +686000 ekin = 3.91883145536709 | erot = 3.95298902028767 | epot = -36.4771155861902 | etot = -28.6052951105355 +687000 ekin = 4.05299881159141 | erot = 4.06027810523496 | epot = -36.7169526369127 | etot = -28.6036757200863 +688000 ekin = 4.13599667613283 | erot = 4.1033148925446 | epot = -36.9524101670391 | etot = -28.7130985983616 +689000 ekin = 4.25987754434121 | erot = 4.14481492316592 | epot = -37.19007759108 | etot = -28.7853851235729 +690000 ekin = 4.43074027682468 | erot = 4.04380513304424 | epot = -37.3931354089483 | etot = -28.9185899990794 +691000 ekin = 4.53821721573662 | erot = 3.80503345899004 | epot = -37.5576014163155 | etot = -29.2143507415889 +692000 ekin = 4.6415004277931 | erot = 3.59872997928144 | epot = -37.6895260553275 | etot = -29.449295648253 +693000 ekin = 4.69075885893 | erot = 3.47578918601706 | epot = -37.8114874122422 | etot = -29.6449393672951 +694000 ekin = 4.73822518662626 | erot = 3.8426375014852 | epot = -37.9027003996531 | etot = -29.3218377115416 +695000 ekin = 4.75494194627987 | erot = 3.78113333862433 | epot = -37.9681336831655 | etot = -29.4320583982613 +696000 ekin = 4.69786608199271 | erot = 3.785268211759 | epot = -38.0084908313003 | etot = -29.5253565375486 +697000 ekin = 4.69854328160514 | erot = 3.62432955932676 | epot = -38.0258612384502 | etot = -29.7029883975183 +698000 ekin = 4.71023285872909 | erot = 3.64111389234157 | epot = -38.030154734076 | etot = -29.6788079830054 +699000 ekin = 4.56773244343976 | erot = 3.71983710702499 | epot = -38.0529467082193 | etot = -29.7653771577546 +700000 ekin = 4.43155866208691 | erot = 3.53355461960284 | epot = -38.0685834921134 | etot = -30.1034702104236 +701000 ekin = 4.47548631411736 | erot = 3.38963138436219 | epot = -38.0500116139815 | etot = -30.184893915502 +702000 ekin = 4.46550513016984 | erot = 3.66852889097277 | epot = -38.0164512923402 | etot = -29.8824172711975 +703000 ekin = 4.38742906998813 | erot = 3.97599599383721 | epot = -37.9817705180946 | etot = -29.6183454542693 +704000 ekin = 4.41020682713676 | erot = 3.83147838533281 | epot = -37.9674346241365 | etot = -29.725749411667 +705000 ekin = 4.39308990786441 | erot = 3.75664217186778 | epot = -37.9282520396871 | etot = -29.7785199599549 +706000 ekin = 4.43040906703156 | erot = 4.12756254176888 | epot = -37.8939279543826 | etot = -29.3359563455822 +707000 ekin = 4.51700671633646 | erot = 3.77573523129449 | epot = -37.8444471024437 | etot = -29.5517051548127 +708000 ekin = 4.49065124304534 | erot = 3.88552877104003 | epot = -37.7744800646504 | etot = -29.3983000505651 +709000 ekin = 4.41855498291445 | erot = 3.53582586052311 | epot = -37.6656825257611 | etot = -29.7113016823236 +710000 ekin = 4.40535258977283 | erot = 3.3964950268898 | epot = -37.5466939944653 | etot = -29.7448463778027 +711000 ekin = 4.32709544005249 | erot = 3.54995473848094 | epot = -37.3866324258479 | etot = -29.5095822473145 +712000 ekin = 4.40620309390877 | erot = 3.71557442538528 | epot = -37.1793914331048 | etot = -29.0576139138107 +713000 ekin = 4.39226105260192 | erot = 3.64956114520319 | epot = -36.9592491146157 | etot = -28.9174269168105 +714000 ekin = 4.39459047651044 | erot = 3.58799428596579 | epot = -36.784410906283 | etot = -28.8018261438068 +715000 ekin = 4.41458674942589 | erot = 4.01850565037392 | epot = -36.5924446920393 | etot = -28.1593522922395 +716000 ekin = 4.33665938530708 | erot = 3.50452219695686 | epot = -36.4143425377368 | etot = -28.5731609554728 +717000 ekin = 4.18088462864047 | erot = 3.21190204008997 | epot = -36.2481677379303 | etot = -28.8553810691999 +718000 ekin = 4.03231025467833 | erot = 2.91104295996759 | epot = -36.1402693367142 | etot = -29.1969161220683 +719000 ekin = 3.97260579411823 | erot = 3.29783620298646 | epot = -36.0849771003503 | etot = -28.8145351032456 +720000 ekin = 3.82567789821304 | erot = 3.46218504309262 | epot = -36.1068353452665 | etot = -28.8189724039609 +721000 ekin = 3.83433718059043 | erot = 4.0308403694784 | epot = -36.186895804643 | etot = -28.3217182545742 +722000 ekin = 3.71300872765614 | erot = 3.84736896155716 | epot = -36.2838656104836 | etot = -28.7234879212703 +723000 ekin = 3.74703466957627 | erot = 3.71040850656838 | epot = -36.3812410760549 | etot = -28.9237978999102 +724000 ekin = 3.75607081603381 | erot = 4.0281353287461 | epot = -36.4992818358977 | etot = -28.7150756911178 +725000 ekin = 3.77808990085843 | erot = 4.20966764087112 | epot = -36.6263500488379 | etot = -28.6385925071083 +726000 ekin = 3.99703012102758 | erot = 3.67945861038329 | epot = -36.7651398392481 | etot = -29.0886511078373 +727000 ekin = 4.01741049095323 | erot = 3.72684228835757 | epot = -36.8887239674892 | etot = -29.1444711881784 +728000 ekin = 4.05655244457443 | erot = 3.64411335656443 | epot = -36.9831032192824 | etot = -29.2824374181435 +729000 ekin = 4.15914112670643 | erot = 3.22368867517317 | epot = -37.0758214193941 | etot = -29.6929916175145 +730000 ekin = 4.27496625989451 | erot = 3.03434396509882 | epot = -37.1060663359391 | etot = -29.7967561109457 +731000 ekin = 4.35621946146852 | erot = 3.31453862248439 | epot = -37.0811379025033 | etot = -29.4103798185504 +732000 ekin = 4.31460322853995 | erot = 3.19560214587384 | epot = -37.0358028654706 | etot = -29.5255974910568 +733000 ekin = 4.22952267957096 | erot = 3.20037871938027 | epot = -36.9673423522076 | etot = -29.5374409532564 +734000 ekin = 4.24709820971321 | erot = 3.10598269123747 | epot = -36.8800091287789 | etot = -29.5269282278282 +735000 ekin = 4.1498116292607 | erot = 3.12549638567499 | epot = -36.7838119752137 | etot = -29.508503960278 +736000 ekin = 4.20814181481995 | erot = 2.91522500178923 | epot = -36.7063833852254 | etot = -29.5830165686162 +737000 ekin = 4.01828120268363 | erot = 2.4049581257871 | epot = -36.6589611248556 | etot = -30.2357217963849 +738000 ekin = 4.0109403602871 | erot = 2.68632566149121 | epot = -36.6548343802831 | etot = -29.9575683585048 +739000 ekin = 4.14661584174285 | erot = 2.59506078530653 | epot = -36.6780631105762 | etot = -29.9363864835269 +740000 ekin = 4.08413039711058 | erot = 2.5736582399383 | epot = -36.7021237291572 | etot = -30.0443350921083 +741000 ekin = 4.10845660619335 | erot = 2.78416335535289 | epot = -36.7754492326734 | etot = -29.8828292711272 +742000 ekin = 4.09068760907316 | erot = 3.09866824560678 | epot = -36.8187451874514 | etot = -29.6293893327714 +743000 ekin = 3.96610963094549 | erot = 3.04878673776488 | epot = -36.8535622197271 | etot = -29.8386658510168 +744000 ekin = 3.97087885402889 | erot = 3.04950786237749 | epot = -36.8512621314665 | etot = -29.8308754150601 +745000 ekin = 3.78295099566549 | erot = 3.09154774657218 | epot = -36.8410165021283 | etot = -29.9665177598907 +746000 ekin = 3.88442560568566 | erot = 3.15773579416856 | epot = -36.8645704531052 | etot = -29.822409053251 +747000 ekin = 3.94794600572262 | erot = 3.04363515896638 | epot = -36.9228275975809 | etot = -29.9312464328919 +748000 ekin = 3.94186404778415 | erot = 3.24130800398446 | epot = -37.0438118682001 | etot = -29.8606398164315 +749000 ekin = 3.93262026571698 | erot = 3.71710044171245 | epot = -37.2109632789996 | etot = -29.5612425715701 +750000 ekin = 3.82713052636537 | erot = 4.02486049381798 | epot = -37.3854716207176 | etot = -29.5334806005343 +751000 ekin = 4.02336237200016 | erot = 4.23099342037398 | epot = -37.5518597142044 | etot = -29.2975039218302 +752000 ekin = 4.06152925021086 | erot = 3.76231639564706 | epot = -37.6809132611631 | etot = -29.8570676153051 +753000 ekin = 4.07859449791209 | erot = 3.97018598947917 | epot = -37.7593004103711 | etot = -29.7105199229799 +754000 ekin = 4.26771269586489 | erot = 4.64006960442447 | epot = -37.8141557249927 | etot = -28.9063734247033 +755000 ekin = 4.26666906965385 | erot = 4.77784474773988 | epot = -37.8576299963118 | etot = -28.813116178918 +756000 ekin = 4.29131147009744 | erot = 5.38525988164288 | epot = -37.8917845570813 | etot = -28.215213205341 +757000 ekin = 4.35562563894762 | erot = 5.14819699923428 | epot = -37.8935376948419 | etot = -28.38971505666 +758000 ekin = 4.22616249375219 | erot = 5.19713356473893 | epot = -37.8901713134434 | etot = -28.4668752549522 +759000 ekin = 4.24184449957189 | erot = 5.16496183591595 | epot = -37.8881235068914 | etot = -28.4813171714036 +760000 ekin = 4.23424644958513 | erot = 5.47628298706173 | epot = -37.9000330984186 | etot = -28.1895036617718 +761000 ekin = 4.26448749341646 | erot = 5.45907771030601 | epot = -37.9055730645776 | etot = -28.1820078608551 +762000 ekin = 4.22061932798822 | erot = 5.0436907431348 | epot = -37.9108772679059 | etot = -28.6465671967828 +763000 ekin = 4.09989014592177 | erot = 5.10778066514927 | epot = -37.9045250455563 | etot = -28.6968542344852 +764000 ekin = 4.18374834614789 | erot = 5.46818179899542 | epot = -37.8676566747124 | etot = -28.2157265295691 +765000 ekin = 4.08761418374907 | erot = 5.80858388049076 | epot = -37.8033181876414 | etot = -27.9071201234015 +766000 ekin = 4.03999541680448 | erot = 5.48136006660825 | epot = -37.7411893537014 | etot = -28.2198338702887 +767000 ekin = 4.01701285460389 | erot = 5.31665044278878 | epot = -37.6438611160225 | etot = -28.3101978186298 +768000 ekin = 3.97951625205955 | erot = 5.25792422549902 | epot = -37.5214426737365 | etot = -28.284002196178 +769000 ekin = 3.9904400552571 | erot = 5.21175341266104 | epot = -37.3810973556032 | etot = -28.178903887685 +770000 ekin = 3.99199742512011 | erot = 5.21810902470215 | epot = -37.1986211065215 | etot = -27.9885146566993 +771000 ekin = 3.82567851870023 | erot = 4.95130845103881 | epot = -36.9906650314344 | etot = -28.2136780616954 +772000 ekin = 3.72123202682095 | erot = 4.74084322348095 | epot = -36.744551321368 | etot = -28.2824760710661 +773000 ekin = 3.61186619870346 | erot = 4.4876416941515 | epot = -36.4404296878967 | etot = -28.3409217950418 +774000 ekin = 3.53238563321205 | erot = 4.08515606418301 | epot = -36.143048292969 | etot = -28.5255065955739 +775000 ekin = 3.61960121968344 | erot = 4.03007080844248 | epot = -35.8636424209005 | etot = -28.2139703927746 +776000 ekin = 3.50131397859649 | erot = 3.82783005287515 | epot = -35.5938202085502 | etot = -28.2646761770785 +777000 ekin = 3.40867202048171 | erot = 3.85221546935577 | epot = -35.4006619567299 | etot = -28.1397744668925 +778000 ekin = 3.4583803102866 | erot = 3.51853820068406 | epot = -35.2979750992065 | etot = -28.3210565882358 +779000 ekin = 3.42307480041793 | erot = 3.59321040457274 | epot = -35.2809430031739 | etot = -28.2646577981832 +780000 ekin = 3.42440692402583 | erot = 3.60521054559663 | epot = -35.3411249792456 | etot = -28.3115075096232 +781000 ekin = 3.46934151467013 | erot = 3.84731508491239 | epot = -35.4518670976728 | etot = -28.1352104980902 +782000 ekin = 3.52710406680765 | erot = 4.28376670942223 | epot = -35.5950260565868 | etot = -27.7841552803569 +783000 ekin = 3.61729821660962 | erot = 4.75537078140965 | epot = -35.7562125383786 | etot = -27.3835435403593 +784000 ekin = 3.58366553598354 | erot = 4.11380123135017 | epot = -35.8708728516403 | etot = -28.1734060843065 +785000 ekin = 3.63226984987139 | erot = 4.14613629449623 | epot = -35.9549809353062 | etot = -28.1765747909386 +786000 ekin = 3.55353155352182 | erot = 3.96170523540249 | epot = -36.0104316125791 | etot = -28.4951948236547 +787000 ekin = 3.65679390509465 | erot = 4.13482060006107 | epot = -36.0644977241083 | etot = -28.2728832189526 +788000 ekin = 3.867576992853 | erot = 4.10779053552871 | epot = -36.0997261456394 | etot = -28.1243586172577 +789000 ekin = 3.93645468274948 | erot = 4.27766163431813 | epot = -36.1406694170032 | etot = -27.9265530999356 +790000 ekin = 3.99051031327522 | erot = 3.95340487785031 | epot = -36.2018617372684 | etot = -28.2579465461428 +791000 ekin = 4.10452718423531 | erot = 3.99235351847299 | epot = -36.2624115283464 | etot = -28.1655308256382 +792000 ekin = 4.33302884516796 | erot = 3.8304429162741 | epot = -36.3357012610719 | etot = -28.1722294996298 +793000 ekin = 4.59966330091371 | erot = 3.74212535974473 | epot = -36.4314410279298 | etot = -28.0896523672713 +794000 ekin = 4.70509453521945 | erot = 3.73254571552344 | epot = -36.5039677226904 | etot = -28.0663274719476 +795000 ekin = 4.82373501353496 | erot = 3.69936645898632 | epot = -36.5467302591184 | etot = -28.0236287865971 +796000 ekin = 5.02825099690213 | erot = 3.6584589522484 | epot = -36.5441938749352 | etot = -27.8574839257846 +797000 ekin = 4.98369350470429 | erot = 3.33483563015644 | epot = -36.5302539300584 | etot = -28.2117247951976 +798000 ekin = 5.04627515833427 | erot = 3.25184431558307 | epot = -36.5269098314583 | etot = -28.228790357541 +799000 ekin = 4.96165968599483 | erot = 3.39539196017168 | epot = -36.5580084896252 | etot = -28.2009568434587 +800000 ekin = 4.9608728952381 | erot = 3.5493203329157 | epot = -36.6052154994127 | etot = -28.0950222712589 +801000 ekin = 4.96148873220033 | erot = 3.39995120227754 | epot = -36.6619752973789 | etot = -28.300535362901 +802000 ekin = 4.86744715226313 | erot = 3.35338258088214 | epot = -36.694222464791 | etot = -28.4733927316457 +803000 ekin = 4.75056128639555 | erot = 3.25410486957635 | epot = -36.7045390401487 | etot = -28.6998728841768 +804000 ekin = 4.78109129200104 | erot = 3.07765972882934 | epot = -36.6985265194181 | etot = -28.8397754985877 +805000 ekin = 4.82892493818659 | erot = 3.27499533781792 | epot = -36.6737874267385 | etot = -28.5698671507339 +806000 ekin = 4.74542372520125 | erot = 3.18323237798567 | epot = -36.6406513076366 | etot = -28.7119952044497 +807000 ekin = 4.64766139288033 | erot = 3.38424960796029 | epot = -36.647673088396 | etot = -28.6157620875554 +808000 ekin = 4.457078358644 | erot = 3.35175675914238 | epot = -36.7022500935494 | etot = -28.893414975763 +809000 ekin = 4.3267088759155 | erot = 3.32046355515555 | epot = -36.7741824114205 | etot = -29.1270099803495 +810000 ekin = 4.19642960492136 | erot = 3.20396083815701 | epot = -36.8832195227731 | etot = -29.4828290796948 +811000 ekin = 4.18603442116986 | erot = 3.54097838794745 | epot = -37.0402774324891 | etot = -29.3132646233718 +812000 ekin = 4.33190991624128 | erot = 3.67977508149037 | epot = -37.2334955671968 | etot = -29.2218105694651 +813000 ekin = 4.46701990899902 | erot = 3.84749046887853 | epot = -37.477006312962 | etot = -29.1624959350845 +814000 ekin = 4.70593563863401 | erot = 4.02074050200779 | epot = -37.7739765579915 | etot = -29.0473004173497 +815000 ekin = 4.61635561952674 | erot = 4.30893882425501 | epot = -38.0622407069035 | etot = -29.1369462631217 +816000 ekin = 4.66419241223469 | erot = 4.4334841646702 | epot = -38.3533945439941 | etot = -29.2557179670892 +817000 ekin = 4.61492034782231 | erot = 4.85896836140468 | epot = -38.6054729848482 | etot = -29.1315842756212 +818000 ekin = 4.6936135555876 | erot = 4.57560992803624 | epot = -38.8141140205622 | etot = -29.5448905369383 +819000 ekin = 4.99561997491631 | erot = 4.59057590873874 | epot = -38.9861314653861 | etot = -29.399935581731 +820000 ekin = 5.14251771001315 | erot = 4.38257454602503 | epot = -39.111979352787 | etot = -29.5868870967488 +821000 ekin = 5.21211790511143 | erot = 3.76493639645341 | epot = -39.1791873910091 | etot = -30.2021330894442 +822000 ekin = 5.22763747343407 | erot = 3.81993934721836 | epot = -39.2257832500634 | etot = -30.178206429411 +823000 ekin = 5.20824824630262 | erot = 3.61818509207447 | epot = -39.2577442235127 | etot = -30.4313108851356 +824000 ekin = 5.29481176259064 | erot = 3.61607107182839 | epot = -39.2930045776051 | etot = -30.382121743186 +825000 ekin = 5.34590564278881 | erot = 3.47605801675253 | epot = -39.3020776711429 | etot = -30.4801140116015 +826000 ekin = 5.38005087585683 | erot = 3.56002985231115 | epot = -39.2878928900552 | etot = -30.3478121618872 +827000 ekin = 5.38251681844313 | erot = 3.31581026558491 | epot = -39.2838973283757 | etot = -30.5855702443476 +828000 ekin = 5.30162295798738 | erot = 2.79999506814259 | epot = -39.2990437954941 | etot = -31.1974257693642 +829000 ekin = 5.34935471298468 | erot = 2.63380753851503 | epot = -39.3079384502706 | etot = -31.3247761987709 +830000 ekin = 5.15642397228279 | erot = 2.78944963383064 | epot = -39.3294203636004 | etot = -31.383546757487 +831000 ekin = 5.04271329110575 | erot = 3.07984504895767 | epot = -39.3562191308943 | etot = -31.2336607908309 +832000 ekin = 5.04415123872944 | erot = 3.36917057661257 | epot = -39.3458026730645 | etot = -30.9324808577225 +833000 ekin = 4.97652700754312 | erot = 3.1101682681075 | epot = -39.3003589046715 | etot = -31.2136636290209 +834000 ekin = 4.66785324148465 | erot = 2.98799062968242 | epot = -39.2007615011675 | etot = -31.5449176300004 +835000 ekin = 4.41967948410668 | erot = 3.24754240638231 | epot = -39.0370935965111 | etot = -31.3698717060221 +836000 ekin = 4.19399501172609 | erot = 3.40709899396411 | epot = -38.8824429433975 | etot = -31.2813489377073 +837000 ekin = 4.05102708476564 | erot = 3.50403284169295 | epot = -38.729129846576 | etot = -31.1740699201174 +838000 ekin = 3.94991363719696 | erot = 3.82377156946746 | epot = -38.5557937558051 | etot = -30.7821085491406 +839000 ekin = 3.7432666531872 | erot = 3.97324655976193 | epot = -38.3643816043728 | etot = -30.6478683914237 +840000 ekin = 3.70351574528206 | erot = 3.51244886217305 | epot = -38.1559200259223 | etot = -30.9399554184672 +841000 ekin = 3.60547887438337 | erot = 3.69151206405111 | epot = -37.9552189953845 | etot = -30.65822805695 +842000 ekin = 3.38591284745953 | erot = 3.48115901302697 | epot = -37.764748291951 | etot = -30.8976764314645 +843000 ekin = 3.11807787995847 | erot = 3.24962582172167 | epot = -37.5931200484565 | etot = -31.2254163467764 +844000 ekin = 3.03125896851695 | erot = 3.10915311466782 | epot = -37.405355484813 | etot = -31.2649434016282 +845000 ekin = 2.84759324027358 | erot = 3.53115382226828 | epot = -37.2260086331774 | etot = -30.8472615706355 +846000 ekin = 2.83613069836887 | erot = 3.4149752298821 | epot = -37.0853206047919 | etot = -30.8342146765409 +847000 ekin = 2.82518542790846 | erot = 3.9264613760552 | epot = -36.974096592552 | etot = -30.2224497885884 +848000 ekin = 2.80356101967319 | erot = 3.75897131812122 | epot = -36.8749675315762 | etot = -30.3124351937818 +849000 ekin = 2.84159199816781 | erot = 3.65493979263187 | epot = -36.779890805585 | etot = -30.2833590147853 +850000 ekin = 2.91517374365713 | erot = 3.25543936029208 | epot = -36.7388454898329 | etot = -30.5682323858837 +851000 ekin = 3.08764953673658 | erot = 3.74455145978192 | epot = -36.7223642181885 | etot = -29.89016322167 +852000 ekin = 3.20356705871772 | erot = 3.86422941824802 | epot = -36.7413165099177 | etot = -29.6735200329519 +853000 ekin = 3.25796036952201 | erot = 4.25509323905638 | epot = -36.7658517979722 | etot = -29.2527981893938 +854000 ekin = 3.57244822927054 | erot = 4.18969744123878 | epot = -36.8021340521259 | etot = -29.0399883816166 +855000 ekin = 3.61706783412732 | erot = 4.16292249791896 | epot = -36.8626923862677 | etot = -29.0827020542214 +856000 ekin = 3.78538239755829 | erot = 4.1125355160369 | epot = -36.9244661414311 | etot = -29.0265482278359 +857000 ekin = 3.78178847655943 | erot = 4.13628071929874 | epot = -37.0292483027703 | etot = -29.1111791069121 +858000 ekin = 3.79767899411072 | erot = 4.25390024597238 | epot = -37.1883443366299 | etot = -29.1367650965468 +859000 ekin = 3.79646558910104 | erot = 4.39490149090002 | epot = -37.3423128301936 | etot = -29.1509457501926 +860000 ekin = 3.86711139340656 | erot = 4.91957560544927 | epot = -37.4915022932753 | etot = -28.7048152944195 +861000 ekin = 3.99177075241214 | erot = 4.92589410248027 | epot = -37.5868681074752 | etot = -28.6692032525828 +862000 ekin = 4.09777488770542 | erot = 4.85487231115203 | epot = -37.6175250863673 | etot = -28.6648778875099 +863000 ekin = 4.13925231113358 | erot = 4.50896117392437 | epot = -37.5986086016745 | etot = -28.9503951166166 +864000 ekin = 4.14764866587401 | erot = 4.42487018235784 | epot = -37.5204132439135 | etot = -28.9478943956816 +865000 ekin = 4.14664914911124 | erot = 4.25648196395957 | epot = -37.3939280409712 | etot = -28.9907969279004 +866000 ekin = 4.14214320133623 | erot = 4.18089045470408 | epot = -37.2179460829705 | etot = -28.8949124269302 +867000 ekin = 4.2533355578276 | erot = 3.91180056253338 | epot = -37.0368358637648 | etot = -28.8716997434038 +868000 ekin = 4.25544635673599 | erot = 4.03934502097771 | epot = -36.8925237407717 | etot = -28.597732363058 +869000 ekin = 4.24112681076696 | erot = 4.01454747655037 | epot = -36.8084367274639 | etot = -28.5527624401466 +870000 ekin = 4.33478513327969 | erot = 3.78349131070103 | epot = -36.7681636745506 | etot = -28.6498872305699 +871000 ekin = 4.17502061003877 | erot = 3.95421063050501 | epot = -36.789978024709 | etot = -28.6607467841652 +872000 ekin = 4.17603847735387 | erot = 3.83768938083755 | epot = -36.8688005631079 | etot = -28.8550727049165 +873000 ekin = 4.41693719639055 | erot = 4.07505566261771 | epot = -36.9767379853353 | etot = -28.484745126327 +874000 ekin = 4.41295334009066 | erot = 4.18394759913442 | epot = -37.1369142438402 | etot = -28.5400133046152 +875000 ekin = 4.5295533495583 | erot = 4.19580464695389 | epot = -37.3370998777418 | etot = -28.6117418812297 +876000 ekin = 4.61247068682014 | erot = 4.50897081857259 | epot = -37.524834933576 | etot = -28.4033934281833 +877000 ekin = 4.76533246608885 | erot = 4.08201826719388 | epot = -37.6873606048148 | etot = -28.8400098715321 +878000 ekin = 4.86109701096016 | erot = 4.03315572964805 | epot = -37.8092910984796 | etot = -28.9150383578714 +879000 ekin = 4.93322526419341 | erot = 3.94479688456014 | epot = -37.8433128250789 | etot = -28.9652906763253 +880000 ekin = 4.911777192825 | erot = 3.90966953329923 | epot = -37.7988935874835 | etot = -28.9774468613593 +881000 ekin = 4.87595051611175 | erot = 3.76638474533256 | epot = -37.6791282073065 | etot = -29.0367929458622 +882000 ekin = 4.80398792776511 | erot = 3.52725045147228 | epot = -37.4958553191689 | etot = -29.1646169399315 +883000 ekin = 4.56372183805733 | erot = 3.17268134771393 | epot = -37.3026048485139 | etot = -29.5662016627427 +884000 ekin = 4.38408070690437 | erot = 2.95287988074889 | epot = -37.1164899885621 | etot = -29.7795294009088 +885000 ekin = 4.21401267631408 | erot = 3.28627816384396 | epot = -36.9423946246094 | etot = -29.4421037844513 +886000 ekin = 3.94208450895983 | erot = 3.61827008671944 | epot = -36.8244889717529 | etot = -29.2641343760737 +887000 ekin = 3.76025689669472 | erot = 3.89282193563569 | epot = -36.7542446517053 | etot = -29.1011658193749 +888000 ekin = 3.58518173626078 | erot = 4.10918051627477 | epot = -36.7235080282687 | etot = -29.0291457757332 +889000 ekin = 3.52227905598844 | erot = 4.53948895643707 | epot = -36.742334591686 | etot = -28.6805665792605 +890000 ekin = 3.48725850687346 | erot = 4.91651845671102 | epot = -36.81107494511 | etot = -28.4072979815255 +891000 ekin = 3.51807183016393 | erot = 5.36785996033029 | epot = -36.9187079043872 | etot = -28.0327761138929 +892000 ekin = 3.48651441482314 | erot = 5.25687644163395 | epot = -37.0005216584211 | etot = -28.257130801964 +893000 ekin = 3.51467838154865 | erot = 5.65149044087769 | epot = -37.05944534206 | etot = -27.8932765196337 +894000 ekin = 3.45974654612344 | erot = 5.22169711042801 | epot = -37.1020642679859 | etot = -28.4206206114344 +895000 ekin = 3.57216437063283 | erot = 5.4089506797762 | epot = -37.1028729086242 | etot = -28.1217578582152 +896000 ekin = 3.56655921068021 | erot = 5.69090228219818 | epot = -37.070821741523 | etot = -27.8133602486446 +897000 ekin = 3.57757547802829 | erot = 5.90228049359271 | epot = -36.9859514532974 | etot = -27.5060954816764 +898000 ekin = 3.52295514054008 | erot = 5.84538360240597 | epot = -36.8484715408745 | etot = -27.4801327979284 +899000 ekin = 3.42191869063631 | erot = 5.47174915922289 | epot = -36.6856616378147 | etot = -27.7919937879555 +900000 ekin = 3.45720121516806 | erot = 5.59973772512064 | epot = -36.5148133918258 | etot = -27.4578744515371 +901000 ekin = 3.51607619901442 | erot = 5.88763510779773 | epot = -36.2859464010575 | etot = -26.8822350942454 +902000 ekin = 3.56087621117169 | erot = 5.17399063106742 | epot = -36.0621785767848 | etot = -27.3273117345457 +903000 ekin = 3.56470936099193 | erot = 5.0736169800556 | epot = -35.8794588183624 | etot = -27.2411324773149 +904000 ekin = 3.64294879518613 | erot = 5.28022715353213 | epot = -35.7543216612838 | etot = -26.8311457125655 +905000 ekin = 3.72447152602285 | erot = 5.02657007424527 | epot = -35.6582804909764 | etot = -26.9072388907083 +906000 ekin = 3.75914133677088 | erot = 4.63070748715842 | epot = -35.612999504401 | etot = -27.2231506804717 +907000 ekin = 4.00046169414558 | erot = 4.63743176603131 | epot = -35.6087015116536 | etot = -26.9708080514767 +908000 ekin = 3.98050966425464 | erot = 4.23795607914891 | epot = -35.6020003534147 | etot = -27.3835346100112 +909000 ekin = 4.14488755712815 | erot = 3.77771446920705 | epot = -35.5819012555833 | etot = -27.6592992292481 +910000 ekin = 4.1887889926356 | erot = 3.85878998652561 | epot = -35.5853308204891 | etot = -27.5377518413279 +911000 ekin = 4.15448454864758 | erot = 3.93063753948176 | epot = -35.6075046071718 | etot = -27.5223825190425 +912000 ekin = 4.30922033402802 | erot = 4.53644215925805 | epot = -35.6368602869835 | etot = -26.7911977936974 +913000 ekin = 4.42050627097558 | erot = 4.36559538892952 | epot = -35.6635505470047 | etot = -26.8774488870996 +914000 ekin = 4.6403841670674 | erot = 4.57708989772375 | epot = -35.6621612967527 | etot = -26.4446872319616 +915000 ekin = 4.71121950507705 | erot = 4.34018648406813 | epot = -35.6015140360094 | etot = -26.5501080468642 +916000 ekin = 4.67735943325919 | erot = 4.0723772918886 | epot = -35.4903050476419 | etot = -26.7405683224941 +917000 ekin = 4.78142703705638 | erot = 4.20198791892886 | epot = -35.3917685265256 | etot = -26.4083535705404 +918000 ekin = 4.7742119869693 | erot = 4.42971373988814 | epot = -35.2582637676414 | etot = -26.0543380407839 +919000 ekin = 4.73422216252914 | erot = 4.77044814340051 | epot = -35.0931913565728 | etot = -25.5885210506432 +920000 ekin = 4.64583700129848 | erot = 4.69774436792081 | epot = -34.9395895324837 | etot = -25.5960081632644 +921000 ekin = 4.61516328269964 | erot = 4.43350879426936 | epot = -34.8128426462854 | etot = -25.7641705693164 +922000 ekin = 4.55621337364178 | erot = 4.21768777753525 | epot = -34.731272035168 | etot = -25.957370883991 +923000 ekin = 4.59034826680215 | erot = 4.50920703076205 | epot = -34.7044992141229 | etot = -25.6049439165587 +924000 ekin = 4.58356240196282 | erot = 4.62074320796255 | epot = -34.7126986327434 | etot = -25.5083930228181 +925000 ekin = 4.53220072800684 | erot = 4.79254817721302 | epot = -34.7588998026867 | etot = -25.4341508974668 +926000 ekin = 4.55832715206546 | erot = 5.00471911281283 | epot = -34.8080246038197 | etot = -25.2449783389414 +927000 ekin = 4.62575171089084 | erot = 4.71181044830637 | epot = -34.8667293476369 | etot = -25.5291671884397 +928000 ekin = 4.6865737520682 | erot = 4.76234601746956 | epot = -34.9159498367978 | etot = -25.4670300672601 +929000 ekin = 4.70610289156496 | erot = 5.07097104655825 | epot = -34.9791697926812 | etot = -25.202095854558 +930000 ekin = 4.79474071813525 | erot = 5.21915381885372 | epot = -35.0589708185242 | etot = -25.0450762815352 +931000 ekin = 4.69039359230198 | erot = 5.48593447848963 | epot = -35.1099047138404 | etot = -24.9335766430488 +932000 ekin = 4.7111009460339 | erot = 5.4720468535618 | epot = -35.1612846037869 | etot = -24.9781368041912 +933000 ekin = 4.76369652677887 | erot = 5.41370570081894 | epot = -35.2317575147351 | etot = -25.0543552871373 +934000 ekin = 4.83643894391789 | erot = 5.23508631414153 | epot = -35.3109086744022 | etot = -25.2393834163428 +935000 ekin = 4.76586014730436 | erot = 5.22865540833756 | epot = -35.3670038676071 | etot = -25.3724883119652 +936000 ekin = 4.7459923218933 | erot = 5.40903849081523 | epot = -35.4141584031107 | etot = -25.2591275904022 +937000 ekin = 4.70665366838905 | erot = 5.90535300927779 | epot = -35.4573569432724 | etot = -24.8453502656056 +938000 ekin = 4.73520980048979 | erot = 5.48994015212931 | epot = -35.4717259493596 | etot = -25.2465759967405 +939000 ekin = 4.66471904112519 | erot = 5.58667162801307 | epot = -35.4363389851306 | etot = -25.1849483159923 +940000 ekin = 4.73670308439177 | erot = 5.59502045341229 | epot = -35.3410735898404 | etot = -25.0093500520363 +941000 ekin = 4.56546752366378 | erot = 5.16939612930462 | epot = -35.2196425314963 | etot = -25.4847788785279 +942000 ekin = 4.36600564082669 | erot = 4.55609433699451 | epot = -35.0782455188876 | etot = -26.1561455410664 +943000 ekin = 4.27680501590838 | erot = 4.77186490926422 | epot = -34.9346146494824 | etot = -25.8859447243098 +944000 ekin = 4.17576408254737 | erot = 4.64476704064562 | epot = -34.7936442239135 | etot = -25.9731131007205 +945000 ekin = 4.08165692512371 | erot = 4.64307958398346 | epot = -34.7241648822137 | etot = -25.9994283731065 +946000 ekin = 3.98238337685344 | erot = 4.33903183997964 | epot = -34.7208981880722 | etot = -26.3994829712391 +947000 ekin = 4.11312487406461 | erot = 4.25698162025787 | epot = -34.8023164533948 | etot = -26.4322099590723 +948000 ekin = 4.03905965504869 | erot = 4.28038925266087 | epot = -34.9281986674362 | etot = -26.6087497597266 +949000 ekin = 4.1208125166908 | erot = 4.40083354097111 | epot = -35.1348098866939 | etot = -26.613163829032 +950000 ekin = 4.19947300195128 | erot = 4.46892156642135 | epot = -35.3299547862506 | etot = -26.661560217878 +951000 ekin = 4.28802819218884 | erot = 4.36807424436335 | epot = -35.5595339264246 | etot = -26.9034314898725 +952000 ekin = 4.44618066979578 | erot = 4.88998578448103 | epot = -35.7762645912068 | etot = -26.44009813693 +953000 ekin = 4.5302283554923 | erot = 4.90684636989476 | epot = -35.9402525430858 | etot = -26.5031778176987 +954000 ekin = 4.65793433635961 | erot = 4.95789701943277 | epot = -36.1007223995933 | etot = -26.4848910438009 +955000 ekin = 4.68472849923027 | erot = 4.84778271057312 | epot = -36.2250094081951 | etot = -26.6924981983917 +956000 ekin = 4.83489144923538 | erot = 4.61252423076221 | epot = -36.2912267944712 | etot = -26.8438111144736 +957000 ekin = 4.83158754758409 | erot = 4.0642787483582 | epot = -36.3314048744553 | etot = -27.435538578513 +958000 ekin = 4.95872508890374 | erot = 3.8676428932311 | epot = -36.3554965538545 | etot = -27.5291285717197 +959000 ekin = 4.88220034385472 | erot = 3.76501141985342 | epot = -36.3703754351938 | etot = -27.7231636714857 +960000 ekin = 4.96739750076015 | erot = 3.7014398632156 | epot = -36.3537104260633 | etot = -27.6848730620876 +961000 ekin = 5.05073619222996 | erot = 3.58723306284446 | epot = -36.3292284086296 | etot = -27.6912591535552 +962000 ekin = 5.10220917296366 | erot = 3.43365806618373 | epot = -36.2926607322774 | etot = -27.75679349313 +963000 ekin = 5.25727455724212 | erot = 3.39047088285921 | epot = -36.2233249912223 | etot = -27.575579551121 +964000 ekin = 5.33892942752082 | erot = 3.38850636488331 | epot = -36.1631800361723 | etot = -27.4357442437681 +965000 ekin = 5.2970730958468 | erot = 3.40709075904151 | epot = -36.114647791202 | etot = -27.4104839363137 +966000 ekin = 5.27380254283778 | erot = 3.34984185029643 | epot = -36.0934598827503 | etot = -27.4698154896161 +967000 ekin = 5.19975037009079 | erot = 3.54967607074502 | epot = -36.1222651146807 | etot = -27.3728386738448 +968000 ekin = 5.22098509097155 | erot = 3.3892004067814 | epot = -36.1570868906286 | etot = -27.5469013928757 +969000 ekin = 5.01248198517068 | erot = 3.26201512253228 | epot = -36.2130447987792 | etot = -27.9385476910762 +970000 ekin = 4.97914863237106 | erot = 3.76343819077311 | epot = -36.2895058744145 | etot = -27.5469190512703 +971000 ekin = 5.04224300192785 | erot = 3.59024832311319 | epot = -36.3590409977869 | etot = -27.7265496727458 +972000 ekin = 5.05787332232175 | erot = 3.83558558676151 | epot = -36.3997125264456 | etot = -27.5062536173623 +973000 ekin = 5.01777031588935 | erot = 3.27986497682726 | epot = -36.4166837336011 | etot = -28.1190484408845 +974000 ekin = 4.96186842907979 | erot = 3.23479851019171 | epot = -36.4352005399393 | etot = -28.2385336006678 +975000 ekin = 4.97224363278502 | erot = 3.35077904927888 | epot = -36.4557098060367 | etot = -28.1326871239728 +976000 ekin = 5.0162553138043 | erot = 3.41837200675041 | epot = -36.4643526378271 | etot = -28.0297253172724 +977000 ekin = 5.04359880486583 | erot = 3.40669885598936 | epot = -36.4673967616966 | etot = -28.0170991008414 +978000 ekin = 4.9681411602187 | erot = 3.39885422893789 | epot = -36.4671439769122 | etot = -28.1001485877556 +979000 ekin = 4.68494120169249 | erot = 3.87226166481083 | epot = -36.4696261905049 | etot = -27.9124233240016 +980000 ekin = 4.80514576212701 | erot = 3.73614562894005 | epot = -36.475376838153 | etot = -27.9340854470859 +981000 ekin = 4.85375109376202 | erot = 4.35522911699943 | epot = -36.490277579472 | etot = -27.2812973687106 +982000 ekin = 4.79648806853116 | erot = 4.15595945903746 | epot = -36.5084812040106 | etot = -27.556033676442 +983000 ekin = 4.75907969484057 | erot = 4.43556787871506 | epot = -36.5083539693145 | etot = -27.3137063957588 +984000 ekin = 4.81598118843888 | erot = 4.52957555705298 | epot = -36.5383410952843 | etot = -27.1927843497924 +985000 ekin = 4.87924474650941 | erot = 4.31630979014036 | epot = -36.577700648078 | etot = -27.3821461114282 +986000 ekin = 4.77128314224537 | erot = 4.12408981491498 | epot = -36.5819281400531 | etot = -27.6865551828927 +987000 ekin = 4.70900566206185 | erot = 4.08922713836866 | epot = -36.5892891612732 | etot = -27.7910563608427 +988000 ekin = 4.6968564492698 | erot = 4.03217145235668 | epot = -36.6289948782934 | etot = -27.8999669766669 +989000 ekin = 4.56955203825019 | erot = 4.16364650343056 | epot = -36.6885496975525 | etot = -27.9553511558718 +990000 ekin = 4.56207337974517 | erot = 3.92865148644801 | epot = -36.7375440238776 | etot = -28.2468191576844 +991000 ekin = 4.4586326947315 | erot = 3.99370804360007 | epot = -36.8046932644695 | etot = -28.3523525261379 +992000 ekin = 4.52516169637469 | erot = 4.19036473784407 | epot = -36.9045951669892 | etot = -28.1890687327704 +993000 ekin = 4.26593637770936 | erot = 4.55899726308496 | epot = -37.0283922292365 | etot = -28.2034585884422 +994000 ekin = 4.14968593987806 | erot = 4.67871188882193 | epot = -37.1561829580762 | etot = -28.3277851293762 +995000 ekin = 4.20875361664816 | erot = 4.51127733270458 | epot = -37.285893138091 | etot = -28.5658621887383 +996000 ekin = 4.10968366763525 | erot = 4.25871927923692 | epot = -37.3745810703536 | etot = -29.0061781234814 +997000 ekin = 4.00616178451074 | erot = 4.48911641515844 | epot = -37.4314666701152 | etot = -28.936188470446 +998000 ekin = 4.02180091279274 | erot = 4.35841167717687 | epot = -37.4443636100105 | etot = -29.0641510200409 +999000 ekin = 4.07504562975234 | erot = 4.2623087345041 | epot = -37.4098012996852 | etot = -29.0724469354287 +1000000 ekin = 3.90433765200202 | erot = 4.66881888228247 | epot = -37.3063332342133 | etot = -28.7331766999288 + 1000000 0.10411567 -1.4674304 0.032571422 -1.2846921 -6.6175275e-05 64000 +Loop time of 46.707 on 4 procs for 1000000 steps with 26 atoms + +Performance: 18498.300 tau/day, 21410.069 timesteps/s +99.7% CPU use with 4 MPI tasks x no OpenMP threads + +MPI task timing breakdown: +Section | min time | avg time | max time |%varavg| %total +--------------------------------------------------------------- +Pair | 12.76 | 20.213 | 37.557 | 224.0 | 43.28 +Bond | 0.40923 | 0.55415 | 0.69879 | 19.0 | 1.19 +Neigh | 0.011178 | 0.011362 | 0.011538 | 0.1 | 0.02 +Comm | 5.0567 | 23.133 | 31.358 | 218.8 | 49.53 +Output | 0.11779 | 0.13598 | 0.14356 | 2.9 | 0.29 +Modify | 1.5587 | 2.2266 | 2.8695 | 42.6 | 4.77 +Other | | 0.4324 | | | 0.93 + +Nlocal: 6.50000 ave 10 max 3 min +Histogram: 2 0 0 0 0 0 0 0 0 2 +Nghost: 19.5000 ave 23 max 16 min +Histogram: 2 0 0 0 0 0 0 0 0 2 +Neighs: 75.2500 ave 190 max 23 min +Histogram: 1 2 0 0 0 0 0 0 0 1 + +Total # of neighbors = 301 +Ave neighs/atom = 11.576923 +Ave special neighs/atom = 5.0769231 +Neighbor list builds = 1000 +Dangerous builds = 0 + +write_data last_config.${number}.* nocoeff +write_data last_config.4.* nocoeff +System init for write_data ... +#write_restart last_config.${number}.* +Total wall time: 0:00:46 diff --git a/examples/PACKAGES/cgdna/examples/oxDNA2/unique_bp/log.2Jul21.duplex4.8type.g++.1 b/examples/PACKAGES/cgdna/examples/oxDNA2/unique_bp/log.2Jul21.duplex4.8type.g++.1 new file mode 100644 index 0000000000..c3c8dbcc9f --- /dev/null +++ b/examples/PACKAGES/cgdna/examples/oxDNA2/unique_bp/log.2Jul21.duplex4.8type.g++.1 @@ -0,0 +1,1272 @@ +LAMMPS (2 Jul 2021) +variable number equal 8 +variable ofreq equal 1000 +variable efreq equal 1000 + +variable ntype equal 8 + +variable T equal 0.1 +variable rhos equal 0.2 + +units lj + +dimension 3 + +newton on + +boundary p p p + +atom_style hybrid bond ellipsoid oxdna +WARNING: Atom style hybrid defines both, per-type and per-atom masses; both must be set, but only per-atom masses will be used (../atom_vec_hybrid.cpp:157) +atom_modify sort 0 1.0 + +# Pair interactions require lists of neighbours to be calculated +neighbor 2.0 bin +neigh_modify every 10 delay 0 check yes + +read_data data.duplex4.8type +Reading data file ... + orthogonal box = (-20.000000 -20.000000 -20.000000) to (20.000000 20.000000 20.000000) + 1 by 1 by 1 MPI processor grid + reading atoms ... + 26 atoms + reading velocities ... + 26 velocities + scanning bonds ... + 1 = max bonds/atom + 26 ellipsoids + reading bonds ... + 24 bonds +Finding 1-2 1-3 1-4 neighbors ... + special bond factors lj: 0 0 0 + special bond factors coul: 0 0 0 + 2 = max # of 1-2 neighbors + 2 = max # of 1-3 neighbors + 4 = max # of 1-4 neighbors + 6 = max # of special neighbors + special bonds CPU = 0.000 seconds + read_data CPU = 0.004 seconds + +mass * 3.1575 # sets per-type mass if not in data file +set atom * mass 3.1575 # sets per-atom mass +Setting atom values ... + 26 settings made for mass + +group all type 1 8 +26 atoms in group all + +# oxDNA2 bond interactions - FENE backbone +bond_style oxdna2/fene +bond_coeff * 2.0 0.25 0.7564 +special_bonds lj 0 1 1 +Finding 1-2 1-3 1-4 neighbors ... + special bond factors lj: 0 1 1 + special bond factors coul: 0 0 0 + 2 = max # of 1-2 neighbors + 2 = max # of 1-3 neighbors + 4 = max # of 1-4 neighbors + 6 = max # of special neighbors + special bonds CPU = 0.000 seconds + +# oxDNA pair interactions +pair_style hybrid/overlay oxdna2/excv oxdna2/stk oxdna2/hbond oxdna2/xstk oxdna2/coaxstk oxdna2/dh +pair_coeff * * oxdna2/excv 2.0 0.7 0.675 2.0 0.515 0.5 2.0 0.33 0.32 +pair_coeff * * oxdna2/stk seqdep ${T} 1.3523 2.6717 6.0 0.4 0.9 0.32 0.75 1.3 0 0.8 0.9 0 0.95 0.9 0 0.95 2.0 0.65 2.0 0.65 +pair_coeff * * oxdna2/stk seqdep 0.1 1.3523 2.6717 6.0 0.4 0.9 0.32 0.75 1.3 0 0.8 0.9 0 0.95 0.9 0 0.95 2.0 0.65 2.0 0.65 +pair_coeff * * oxdna2/hbond seqdep 0.0 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 + +label loop +variable base loop ${ntype} +variable base loop 8 + variable basemod equal ${base}%4 + variable basemod equal 1%4 + if "${basemod} == 1" then "variable comp equal ${base}+3" "pair_coeff ${base} ${comp} oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45" +variable comp equal ${base}+3 +variable comp equal 1+3 +pair_coeff ${base} ${comp} oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 +pair_coeff 1 ${comp} oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 +pair_coeff 1 4 oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 + if "${basemod} == 2" then "variable comp equal ${base}+1" "pair_coeff ${base} ${comp} oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45" +next base +jump in.duplex4.8type loop +variable base loop ${ntype} +variable base loop 8 + variable basemod equal ${base}%4 + variable basemod equal 2%4 + if "${basemod} == 1" then "variable comp equal ${base}+3" "pair_coeff ${base} ${comp} oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45" + if "${basemod} == 2" then "variable comp equal ${base}+1" "pair_coeff ${base} ${comp} oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45" +variable comp equal ${base}+1 +variable comp equal 2+1 +pair_coeff ${base} ${comp} oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 +pair_coeff 2 ${comp} oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 +pair_coeff 2 3 oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 +next base +jump in.duplex4.8type loop +variable base loop ${ntype} +variable base loop 8 + variable basemod equal ${base}%4 + variable basemod equal 3%4 + if "${basemod} == 1" then "variable comp equal ${base}+3" "pair_coeff ${base} ${comp} oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45" + if "${basemod} == 2" then "variable comp equal ${base}+1" "pair_coeff ${base} ${comp} oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45" +next base +jump in.duplex4.8type loop +variable base loop ${ntype} +variable base loop 8 + variable basemod equal ${base}%4 + variable basemod equal 4%4 + if "${basemod} == 1" then "variable comp equal ${base}+3" "pair_coeff ${base} ${comp} oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45" + if "${basemod} == 2" then "variable comp equal ${base}+1" "pair_coeff ${base} ${comp} oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45" +next base +jump in.duplex4.8type loop +variable base loop ${ntype} +variable base loop 8 + variable basemod equal ${base}%4 + variable basemod equal 5%4 + if "${basemod} == 1" then "variable comp equal ${base}+3" "pair_coeff ${base} ${comp} oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45" +variable comp equal ${base}+3 +variable comp equal 5+3 +pair_coeff ${base} ${comp} oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 +pair_coeff 5 ${comp} oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 +pair_coeff 5 8 oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 + if "${basemod} == 2" then "variable comp equal ${base}+1" "pair_coeff ${base} ${comp} oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45" +next base +jump in.duplex4.8type loop +variable base loop ${ntype} +variable base loop 8 + variable basemod equal ${base}%4 + variable basemod equal 6%4 + if "${basemod} == 1" then "variable comp equal ${base}+3" "pair_coeff ${base} ${comp} oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45" + if "${basemod} == 2" then "variable comp equal ${base}+1" "pair_coeff ${base} ${comp} oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45" +variable comp equal ${base}+1 +variable comp equal 6+1 +pair_coeff ${base} ${comp} oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 +pair_coeff 6 ${comp} oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 +pair_coeff 6 7 oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 +next base +jump in.duplex4.8type loop +variable base loop ${ntype} +variable base loop 8 + variable basemod equal ${base}%4 + variable basemod equal 7%4 + if "${basemod} == 1" then "variable comp equal ${base}+3" "pair_coeff ${base} ${comp} oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45" + if "${basemod} == 2" then "variable comp equal ${base}+1" "pair_coeff ${base} ${comp} oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45" +next base +jump in.duplex4.8type loop +variable base loop ${ntype} +variable base loop 8 + variable basemod equal ${base}%4 + variable basemod equal 8%4 + if "${basemod} == 1" then "variable comp equal ${base}+3" "pair_coeff ${base} ${comp} oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45" + if "${basemod} == 2" then "variable comp equal ${base}+1" "pair_coeff ${base} ${comp} oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45" +next base +jump in.duplex4.8type loop + +pair_coeff * * oxdna2/xstk 47.5 0.575 0.675 0.495 0.655 2.25 0.791592653589793 0.58 1.7 1.0 0.68 1.7 1.0 0.68 1.5 0 0.65 1.7 0.875 0.68 1.7 0.875 0.68 +pair_coeff * * oxdna2/coaxstk 58.5 0.4 0.6 0.22 0.58 2.0 2.891592653589793 0.65 1.3 0 0.8 0.9 0 0.95 0.9 0 0.95 40.0 3.116592653589793 +pair_coeff * * oxdna2/dh ${T} ${rhos} 0.815 +pair_coeff * * oxdna2/dh 0.1 ${rhos} 0.815 +pair_coeff * * oxdna2/dh 0.1 0.2 0.815 + +# Langevin dynamics +fix 1 all nve/asphere +fix 2 all langevin ${T} ${T} 2.5 457145 angmom 10 +fix 2 all langevin 0.1 ${T} 2.5 457145 angmom 10 +fix 2 all langevin 0.1 0.1 2.5 457145 angmom 10 + +timestep 1e-5 + +#comm_style tiled +fix 3 all balance 1000 1.03 shift xyz 10 1.03 +comm_modify cutoff 3.8 + +compute quat all property/atom quatw quati quatj quatk + +compute erot all erotate/asphere +compute ekin all ke +compute epot all pe +variable erot equal c_erot +variable ekin equal c_ekin +variable epot equal c_epot +variable etot equal c_erot+c_ekin+c_epot +fix 5 all print ${efreq} "$(step) ekin = ${ekin} | erot = ${erot} | epot = ${epot} | etot = ${etot}" screen yes +fix 5 all print 1000 "$(step) ekin = ${ekin} | erot = ${erot} | epot = ${epot} | etot = ${etot}" screen yes + +dump out all custom ${ofreq} out.${number}.lammpstrj id mol type x y z ix iy iz vx vy vz c_quat[1] c_quat[2] c_quat[3] c_quat[4] angmomx angmomy angmomz +dump out all custom 1000 out.${number}.lammpstrj id mol type x y z ix iy iz vx vy vz c_quat[1] c_quat[2] c_quat[3] c_quat[4] angmomx angmomy angmomz +dump out all custom 1000 out.8.lammpstrj id mol type x y z ix iy iz vx vy vz c_quat[1] c_quat[2] c_quat[3] c_quat[4] angmomx angmomy angmomz +dump_modify out sort id +dump_modify out format line "%d %d %d %22.15le %22.15le %22.15le %d %d %d %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le" + +run 1000000 +Neighbor list info ... + update every 10 steps, delay 0 steps, check yes + max neighbors/atom: 2000, page size: 100000 + master list distance cutoff = 5.6389877 + ghost atom cutoff = 5.6389877 + binsize = 2.8194939, bins = 15 15 15 + 5 neighbor lists, perpetual/occasional/extra = 5 0 0 + (1) pair oxdna2/excv, perpetual + attributes: half, newton on + pair build: half/bin/newton + stencil: half/bin/3d + bin: standard + (2) pair oxdna2/hbond, perpetual, copy from (1) + attributes: half, newton on + pair build: copy + stencil: none + bin: none + (3) pair oxdna2/xstk, perpetual, copy from (1) + attributes: half, newton on + pair build: copy + stencil: none + bin: none + (4) pair oxdna2/coaxstk, perpetual, copy from (1) + attributes: half, newton on + pair build: copy + stencil: none + bin: none + (5) pair oxdna2/dh, perpetual, copy from (1) + attributes: half, newton on + pair build: copy + stencil: none + bin: none +WARNING: Communication cutoff adjusted to 5.638987723814632 (../comm.cpp:739) +0 ekin = 3.74991604702378 | erot = 3.45272678980464 | epot = -37.374200901142 | etot = -30.1715580643136 +Per MPI rank memory allocation (min/avg/max) = 9.328 | 9.328 | 9.328 Mbytes +Step Temp E_pair E_mol TotEng Press Volume + 0 0.099997761 -1.4717559 0.03428661 -1.2932417 5.6146609e-05 64000 +1000 ekin = 3.83184879800819 | erot = 3.50203401022062 | epot = -37.4730508915114 | etot = -30.1391680832826 +2000 ekin = 3.82227374831519 | erot = 3.79878100905234 | epot = -37.616191007464 | etot = -29.9951362500965 +3000 ekin = 3.90938932030971 | erot = 4.1584025695072 | epot = -37.7430329723255 | etot = -29.6752410825086 +4000 ekin = 3.82373321902577 | erot = 4.12183047279799 | epot = -37.8313543569025 | etot = -29.8857906650787 +5000 ekin = 3.7245469506492 | erot = 4.29953523687407 | epot = -37.8617217220934 | etot = -29.8376395345701 +6000 ekin = 3.75585156536887 | erot = 4.31270713695362 | epot = -37.8280629310505 | etot = -29.759504228728 +7000 ekin = 3.7932674084105 | erot = 4.16508360466875 | epot = -37.7640947397913 | etot = -29.8057437267121 +8000 ekin = 3.74746489835263 | erot = 4.25243425677967 | epot = -37.6835135449588 | etot = -29.6836143898265 +9000 ekin = 3.70802697723781 | erot = 4.00193184819411 | epot = -37.5899388200959 | etot = -29.879979994664 +10000 ekin = 3.58135597641079 | erot = 3.86411518632772 | epot = -37.5041732418663 | etot = -30.0587020791278 +11000 ekin = 3.45122934445655 | erot = 4.1703535299311 | epot = -37.4859882561369 | etot = -29.8644053817493 +12000 ekin = 3.42435863038453 | erot = 4.21487472538924 | epot = -37.5307136425246 | etot = -29.8914802867508 +13000 ekin = 3.40216979362993 | erot = 4.07292918248782 | epot = -37.6378499557145 | etot = -30.1627509795968 +14000 ekin = 3.2921331552169 | erot = 4.50441987673251 | epot = -37.7761364031321 | etot = -29.9795833711827 +15000 ekin = 3.36883179726036 | erot = 4.91359031415192 | epot = -37.9357367952089 | etot = -29.6533146837966 +16000 ekin = 3.30177911852248 | erot = 5.09593415997444 | epot = -38.143737189117 | etot = -29.7460239106201 +17000 ekin = 3.27867865291038 | erot = 5.45789581601551 | epot = -38.3785999463332 | etot = -29.6420254774073 +18000 ekin = 3.36770908750654 | erot = 5.63036493519878 | epot = -38.5970397067551 | etot = -29.5989656840498 +19000 ekin = 3.29802639540141 | erot = 5.4561639608394 | epot = -38.7810833463914 | etot = -30.0268929901506 +20000 ekin = 3.28760849058064 | erot = 5.26031945979083 | epot = -38.9429500949467 | etot = -30.3950221445752 +21000 ekin = 3.32772748450133 | erot = 5.34990394778077 | epot = -39.0618181252056 | etot = -30.3841866929235 +22000 ekin = 3.34298346296243 | erot = 5.12273250375884 | epot = -39.1360899153793 | etot = -30.670373948658 +23000 ekin = 3.38280280428755 | erot = 5.14933572496698 | epot = -39.1974651493046 | etot = -30.6653266200501 +24000 ekin = 3.43991273776911 | erot = 5.03737353653099 | epot = -39.2427818934622 | etot = -30.7654956191621 +25000 ekin = 3.44382800915666 | erot = 4.56194227438362 | epot = -39.2491545805195 | etot = -31.2433842969792 +26000 ekin = 3.47220361933921 | erot = 4.88028216050135 | epot = -39.2033487475128 | etot = -30.8508629676722 +27000 ekin = 3.47824341108214 | erot = 4.7971367004181 | epot = -39.1340731989048 | etot = -30.8586930874046 +28000 ekin = 3.54835351423501 | erot = 4.65494607739445 | epot = -39.0768463918722 | etot = -30.8735468002427 +29000 ekin = 3.57491058588778 | erot = 4.31737192689192 | epot = -39.0420895500443 | etot = -31.1498070372646 +30000 ekin = 3.51438036654861 | erot = 4.50861299911584 | epot = -39.0276136699747 | etot = -31.0046203043103 +31000 ekin = 3.57650331888545 | erot = 4.40811531091204 | epot = -39.0168289246978 | etot = -31.0322102949003 +32000 ekin = 3.70658082522071 | erot = 4.15949186201363 | epot = -39.017410963825 | etot = -31.1513382765907 +33000 ekin = 3.83721022662003 | erot = 4.05055961618762 | epot = -39.0303039022729 | etot = -31.1425340594653 +34000 ekin = 3.94885880665681 | erot = 3.81495459058985 | epot = -39.0180833389347 | etot = -31.2542699416881 +35000 ekin = 3.97994525138323 | erot = 4.49904715736234 | epot = -38.9543629321032 | etot = -30.4753705233577 +36000 ekin = 3.90049506438266 | erot = 3.99723351860168 | epot = -38.8736492127444 | etot = -30.97592062976 +37000 ekin = 4.00119032736887 | erot = 4.30070706410093 | epot = -38.7576942972653 | etot = -30.4557969057955 +38000 ekin = 4.00581796835647 | erot = 3.82064458204034 | epot = -38.6053485149963 | etot = -30.7788859645995 +39000 ekin = 3.92374370666492 | erot = 3.80679256085696 | epot = -38.4357174066365 | etot = -30.7051811391146 +40000 ekin = 3.81525591020245 | erot = 3.60218215391061 | epot = -38.2889289083718 | etot = -30.8714908442587 +41000 ekin = 3.89801377589297 | erot = 3.52447171643241 | epot = -38.2033074629501 | etot = -30.7808219706247 +42000 ekin = 3.92469802136766 | erot = 3.72207083090906 | epot = -38.1843497161945 | etot = -30.5375808639177 +43000 ekin = 3.90355819056277 | erot = 3.6537526927489 | epot = -38.2197716832792 | etot = -30.6624607999675 +44000 ekin = 3.94906849382533 | erot = 3.48405507068376 | epot = -38.2852323155717 | etot = -30.8521087510626 +45000 ekin = 4.04988136986449 | erot = 3.38338492043337 | epot = -38.379217839749 | etot = -30.9459515494512 +46000 ekin = 4.12456204511554 | erot = 3.52614566674475 | epot = -38.4473213411912 | etot = -30.7966136293309 +47000 ekin = 4.05260082430177 | erot = 3.30110271195184 | epot = -38.4808326895795 | etot = -31.1271291533259 +48000 ekin = 3.94672633965036 | erot = 3.30790944660349 | epot = -38.4845357728861 | etot = -31.2298999866322 +49000 ekin = 3.88681575217735 | erot = 3.78262203823329 | epot = -38.4415128535038 | etot = -30.7720750630932 +50000 ekin = 3.8289998539571 | erot = 3.78573156370326 | epot = -38.3450518110649 | etot = -30.7303203934046 +51000 ekin = 3.84405747033417 | erot = 3.53181676479775 | epot = -38.2059734024445 | etot = -30.8300991673126 +52000 ekin = 3.72257170524986 | erot = 3.44233441463346 | epot = -38.0493176755067 | etot = -30.8844115556233 +53000 ekin = 3.58458805955587 | erot = 3.40175184254418 | epot = -37.8770316144346 | etot = -30.8906917123346 +54000 ekin = 3.42774104644866 | erot = 3.01933445329398 | epot = -37.7242775274776 | etot = -31.277202027735 +55000 ekin = 3.30773758120276 | erot = 3.11354928843072 | epot = -37.584427789289 | etot = -31.1631409196555 +56000 ekin = 3.30267684217518 | erot = 3.36746893036055 | epot = -37.4528615341919 | etot = -30.7827157616562 +57000 ekin = 3.19775481140565 | erot = 3.06235541109217 | epot = -37.3795633131473 | etot = -31.1194530906495 +58000 ekin = 3.11776701522974 | erot = 3.21225050262705 | epot = -37.3545495658646 | etot = -31.0245320480078 +59000 ekin = 3.02660076850687 | erot = 3.05700513362467 | epot = -37.3753385948441 | etot = -31.2917326927126 +60000 ekin = 3.05479252149938 | erot = 3.09854486170695 | epot = -37.4441725320783 | etot = -31.2908351488719 +61000 ekin = 3.01704476791617 | erot = 3.76451997765652 | epot = -37.5384296958521 | etot = -30.7568649502794 +62000 ekin = 3.04313706615776 | erot = 3.65046217125996 | epot = -37.6255736746588 | etot = -30.931974437241 +63000 ekin = 3.01457068009169 | erot = 3.63417424777149 | epot = -37.6954625017369 | etot = -31.0467175738737 +64000 ekin = 2.98716002899804 | erot = 3.66823413077172 | epot = -37.7940816265089 | etot = -31.1386874667392 +65000 ekin = 3.02462936411627 | erot = 3.70957377344584 | epot = -37.8868266007907 | etot = -31.1526234632286 +66000 ekin = 3.04943307417979 | erot = 3.64749592963955 | epot = -37.9385532609816 | etot = -31.2416242571623 +67000 ekin = 3.10664998766834 | erot = 3.9244199235005 | epot = -37.9686488739492 | etot = -30.9375789627803 +68000 ekin = 3.1050854233858 | erot = 3.5178167489996 | epot = -37.983113244155 | etot = -31.3602110717696 +69000 ekin = 3.12460161346418 | erot = 3.45336993587921 | epot = -38.016048039057 | etot = -31.4380764897136 +70000 ekin = 3.27586566025794 | erot = 2.94330488125488 | epot = -38.0712687269606 | etot = -31.8520981854478 +71000 ekin = 3.39211310061258 | erot = 2.74512861011504 | epot = -38.1409313278077 | etot = -32.0036896170801 +72000 ekin = 3.40645093836728 | erot = 2.75927481548157 | epot = -38.2448895790434 | etot = -32.0791638251946 +73000 ekin = 3.52971008848823 | erot = 2.59006671029947 | epot = -38.3559671032089 | etot = -32.2361903044212 +74000 ekin = 3.64539698532476 | erot = 2.94116909218575 | epot = -38.4934235930849 | etot = -31.9068575155744 +75000 ekin = 3.80169679560814 | erot = 3.11004664709647 | epot = -38.6561648833572 | etot = -31.7444214406526 +76000 ekin = 3.86343004207989 | erot = 3.33165114941789 | epot = -38.7892518002904 | etot = -31.5941706087926 +77000 ekin = 3.90472352035116 | erot = 3.31177401193377 | epot = -38.8678679983232 | etot = -31.6513704660382 +78000 ekin = 3.92691530468171 | erot = 3.25784074314341 | epot = -38.8969605625462 | etot = -31.7122045147211 +79000 ekin = 3.93607959529918 | erot = 3.16472395725656 | epot = -38.8636036578363 | etot = -31.7628001052805 +80000 ekin = 3.92375596570385 | erot = 3.03932991445865 | epot = -38.7678348516126 | etot = -31.8047489714501 +81000 ekin = 3.9430777715335 | erot = 2.88134017144298 | epot = -38.6473318824763 | etot = -31.8229139394998 +82000 ekin = 3.86696228915965 | erot = 2.89149309255461 | epot = -38.519943391552 | etot = -31.7614880098377 +83000 ekin = 3.60814275609262 | erot = 2.81572010912293 | epot = -38.3996592376438 | etot = -31.9757963724282 +84000 ekin = 3.71373301448702 | erot = 2.72793818704547 | epot = -38.3011883980015 | etot = -31.859517196469 +85000 ekin = 3.50951070251157 | erot = 2.79348490714939 | epot = -38.2117363909514 | etot = -31.9087407812904 +86000 ekin = 3.47308524750449 | erot = 3.12141964520655 | epot = -38.1244236248806 | etot = -31.5299187321696 +87000 ekin = 3.47440394227043 | erot = 3.04160702571504 | epot = -38.0440539828499 | etot = -31.5280430148644 +88000 ekin = 3.44172477689071 | erot = 2.99907227171085 | epot = -37.9859332104928 | etot = -31.5451361618913 +89000 ekin = 3.46547245050649 | erot = 3.42367325086164 | epot = -37.9432140623315 | etot = -31.0540683609633 +90000 ekin = 3.47276106924413 | erot = 3.41105238494334 | epot = -37.9009776655538 | etot = -31.0171642113663 +91000 ekin = 3.31717291023277 | erot = 4.00503611404981 | epot = -37.8509086765271 | etot = -30.5286996522445 +92000 ekin = 3.30281925189455 | erot = 3.78657692130476 | epot = -37.8308149894367 | etot = -30.7414188162374 +93000 ekin = 3.23932364656722 | erot = 3.46021357148725 | epot = -37.8328101558439 | etot = -31.1332729377895 +94000 ekin = 3.19291152023924 | erot = 3.36401906457231 | epot = -37.8297890174383 | etot = -31.2728584326267 +95000 ekin = 3.11174095364037 | erot = 3.84559531996404 | epot = -37.8285495206063 | etot = -30.8712132470019 +96000 ekin = 3.08253957616709 | erot = 4.19970849347964 | epot = -37.8307056468836 | etot = -30.5484575772369 +97000 ekin = 3.01019162595084 | erot = 4.79435511235213 | epot = -37.8474383063022 | etot = -30.0428915679992 +98000 ekin = 2.95004498340948 | erot = 4.45721895779631 | epot = -37.8489202082855 | etot = -30.4416562670797 +99000 ekin = 2.91563074020306 | erot = 4.14781823161589 | epot = -37.8396252499933 | etot = -30.7761762781743 +100000 ekin = 2.90648603235873 | erot = 3.81215086067838 | epot = -37.7900595351461 | etot = -31.071422642109 +101000 ekin = 2.85218071196321 | erot = 3.48991910340789 | epot = -37.7570245236792 | etot = -31.4149247083081 +102000 ekin = 2.86052427330307 | erot = 3.57587365782269 | epot = -37.7214005697291 | etot = -31.2850026386034 +103000 ekin = 2.88913271922391 | erot = 3.41748118405764 | epot = -37.6983180369495 | etot = -31.3917041336679 +104000 ekin = 2.81650081212179 | erot = 3.64361039549583 | epot = -37.6651320682074 | etot = -31.2050208605898 +105000 ekin = 2.79823699847461 | erot = 3.35865525277725 | epot = -37.6511913094721 | etot = -31.4942990582202 +106000 ekin = 2.78255015161702 | erot = 3.64122601097049 | epot = -37.6357012767034 | etot = -31.2119251141159 +107000 ekin = 2.8853059029881 | erot = 3.80038887689828 | epot = -37.6526611371135 | etot = -30.9669663572271 +108000 ekin = 2.83844762508156 | erot = 3.95272494897009 | epot = -37.7224292501163 | etot = -30.9312566760646 +109000 ekin = 2.91484982662488 | erot = 4.34544884566561 | epot = -37.8436434051328 | etot = -30.5833447328423 +110000 ekin = 2.93667443132402 | erot = 4.67698362049705 | epot = -37.9759529936705 | etot = -30.3622949418494 +111000 ekin = 3.11047864616463 | erot = 4.30694673133228 | epot = -38.1028692919235 | etot = -30.6854439144266 +112000 ekin = 3.32630420939175 | erot = 4.07222830175934 | epot = -38.2330557688864 | etot = -30.8345232577353 +113000 ekin = 3.38238157246173 | erot = 4.25399862575981 | epot = -38.4031841501303 | etot = -30.7668039519087 +114000 ekin = 3.40165200205494 | erot = 4.30744946748772 | epot = -38.6070332241657 | etot = -30.897931754623 +115000 ekin = 3.57685598139985 | erot = 4.55740206723813 | epot = -38.8200433287836 | etot = -30.6857852801457 +116000 ekin = 3.75973031177341 | erot = 4.3615765459289 | epot = -39.0323085624545 | etot = -30.9110017047522 +117000 ekin = 4.08170792820106 | erot = 4.22817627756988 | epot = -39.2374888319016 | etot = -30.9276046261307 +118000 ekin = 4.20730049786356 | erot = 4.45363628574744 | epot = -39.4247594107616 | etot = -30.7638226271506 +119000 ekin = 4.26502745539807 | erot = 4.38707691524353 | epot = -39.5609276649305 | etot = -30.9088232942889 +120000 ekin = 4.18668022830479 | erot = 4.24219249569072 | epot = -39.6276325806844 | etot = -31.1987598566889 +121000 ekin = 4.37673633947889 | erot = 4.44899930150549 | epot = -39.5989335189462 | etot = -30.7731978779619 +122000 ekin = 4.38970640566177 | erot = 4.08524736298491 | epot = -39.5011631447288 | etot = -31.0262093760821 +123000 ekin = 4.42858502015389 | erot = 3.38666748651706 | epot = -39.3700347945817 | etot = -31.5547822879107 +124000 ekin = 4.41843242629728 | erot = 3.29902599884916 | epot = -39.2496495732995 | etot = -31.532191148153 +125000 ekin = 4.2617494523508 | erot = 3.29673673713413 | epot = -39.1012418833314 | etot = -31.5427556938464 +126000 ekin = 4.24892047563245 | erot = 3.36728042977249 | epot = -38.9439369649168 | etot = -31.3277360595119 +127000 ekin = 4.20697642244211 | erot = 3.24776092764451 | epot = -38.7860930134988 | etot = -31.3313556634121 +128000 ekin = 4.051155507125 | erot = 3.47679598409534 | epot = -38.6330582994878 | etot = -31.1051068082675 +129000 ekin = 4.05771564566355 | erot = 3.55109790126639 | epot = -38.5073350485463 | etot = -30.8985215016164 +130000 ekin = 3.96453894213021 | erot = 3.5331352226628 | epot = -38.3915659508259 | etot = -30.8938917860329 +131000 ekin = 3.98900505769183 | erot = 3.64077310067997 | epot = -38.2786451293432 | etot = -30.6488669709714 +132000 ekin = 3.73079609117296 | erot = 3.73126171283414 | epot = -38.1409399456635 | etot = -30.6788821416564 +133000 ekin = 3.65247250435603 | erot = 3.53430985836843 | epot = -38.0235035134258 | etot = -30.8367211507014 +134000 ekin = 3.69649402588234 | erot = 3.97356364722737 | epot = -37.9278485959382 | etot = -30.2577909228285 +135000 ekin = 3.57147615494152 | erot = 4.00472599145964 | epot = -37.8397002442413 | etot = -30.2634980978401 +136000 ekin = 3.54164301577371 | erot = 3.88237062104624 | epot = -37.7460882463413 | etot = -30.3220746095214 +137000 ekin = 3.41247180964224 | erot = 3.32750587829717 | epot = -37.6246112923031 | etot = -30.8846336043637 +138000 ekin = 3.46206567288776 | erot = 3.47277237990382 | epot = -37.562116148782 | etot = -30.6272780959905 +139000 ekin = 3.46179863350053 | erot = 3.29345554522865 | epot = -37.5218039357363 | etot = -30.7665497570071 +140000 ekin = 3.57268233853842 | erot = 3.5202154657235 | epot = -37.4799882832129 | etot = -30.387090478951 +141000 ekin = 3.48030321137913 | erot = 3.69147952189496 | epot = -37.4842309048152 | etot = -30.3124481715411 +142000 ekin = 3.63349703801683 | erot = 3.72222694231707 | epot = -37.5326170636814 | etot = -30.1768930833475 +143000 ekin = 3.71391772492719 | erot = 3.32855653910457 | epot = -37.5715573506384 | etot = -30.5290830866066 +144000 ekin = 3.59876610372647 | erot = 3.57133292531736 | epot = -37.6083426167156 | etot = -30.4382435876717 +145000 ekin = 3.55129898738003 | erot = 3.38442665443505 | epot = -37.645703742064 | etot = -30.7099781002489 +146000 ekin = 3.57274630492872 | erot = 3.74306660671665 | epot = -37.6918399298831 | etot = -30.3760270182377 +147000 ekin = 3.51175180004563 | erot = 4.07506203504851 | epot = -37.7115891932223 | etot = -30.1247753581282 +148000 ekin = 3.52194530375129 | erot = 4.22438638639855 | epot = -37.7453589028593 | etot = -29.9990272127094 +149000 ekin = 3.43829227837986 | erot = 4.25032155928043 | epot = -37.7800675049656 | etot = -30.0914536673053 +150000 ekin = 3.3957375930512 | erot = 4.12519198982275 | epot = -37.7779101405858 | etot = -30.2569805577118 +151000 ekin = 3.38494817974845 | erot = 3.91154836764821 | epot = -37.7346130185547 | etot = -30.4381164711581 +152000 ekin = 3.33928233486053 | erot = 3.82420376901224 | epot = -37.6923063731278 | etot = -30.5288202692551 +153000 ekin = 3.38955645731944 | erot = 3.72251905459199 | epot = -37.6703717263952 | etot = -30.5582962144838 +154000 ekin = 3.4017017115168 | erot = 3.95270448125707 | epot = -37.6783897084388 | etot = -30.3239835156649 +155000 ekin = 3.44581188687106 | erot = 3.52528589615972 | epot = -37.7593041359923 | etot = -30.7882063529615 +156000 ekin = 3.55410349285979 | erot = 3.68359553101924 | epot = -37.8946612865555 | etot = -30.6569622626765 +157000 ekin = 3.67740663285561 | erot = 3.73708949692857 | epot = -38.0406477694046 | etot = -30.6261516396204 +158000 ekin = 3.70912292320982 | erot = 3.62418205239286 | epot = -38.1900046609469 | etot = -30.8566996853442 +159000 ekin = 3.6853282619123 | erot = 3.87298071798083 | epot = -38.2928836797072 | etot = -30.7345746998141 +160000 ekin = 3.72002440516723 | erot = 4.11592492943216 | epot = -38.3652902740973 | etot = -30.5293409394979 +161000 ekin = 3.73388863499069 | erot = 4.42836121024183 | epot = -38.4373191354183 | etot = -30.2750692901858 +162000 ekin = 4.02523829931076 | erot = 4.8680769419056 | epot = -38.4975346699525 | etot = -29.6042194287362 +163000 ekin = 4.03311015138323 | erot = 4.78291233450122 | epot = -38.5597523007635 | etot = -29.7437298148791 +164000 ekin = 4.1335004223363 | erot = 5.01454292769812 | epot = -38.5888368946085 | etot = -29.4407935445741 +165000 ekin = 4.2571846721418 | erot = 4.92225725319176 | epot = -38.5829201612759 | etot = -29.4034782359424 +166000 ekin = 4.11013815046505 | erot = 4.5380600083009 | epot = -38.5467907483033 | etot = -29.8985925895373 +167000 ekin = 4.08710467384593 | erot = 4.20997030650446 | epot = -38.4814936158366 | etot = -30.1844186354862 +168000 ekin = 4.03924000036858 | erot = 3.95993274976396 | epot = -38.3759188508994 | etot = -30.3767461007668 +169000 ekin = 3.94917218886656 | erot = 3.65240127094122 | epot = -38.2594355677076 | etot = -30.6578621078998 +170000 ekin = 3.90935554205321 | erot = 3.78797512477889 | epot = -38.1835201359157 | etot = -30.4861894690836 +171000 ekin = 3.8773250489546 | erot = 4.28652570004448 | epot = -38.1402484566641 | etot = -29.976397707665 +172000 ekin = 3.75957929171828 | erot = 4.02272820820138 | epot = -38.1557340618708 | etot = -30.3734265619512 +173000 ekin = 3.55030915229003 | erot = 4.03115995993296 | epot = -38.2480280629192 | etot = -30.6665589506962 +174000 ekin = 3.61281225750312 | erot = 4.30402685904744 | epot = -38.379508028535 | etot = -30.4626689119845 +175000 ekin = 3.56741376549371 | erot = 4.24945045724339 | epot = -38.5125929458379 | etot = -30.6957287231008 +176000 ekin = 3.69966296688439 | erot = 4.22673264606634 | epot = -38.6131459163278 | etot = -30.6867503033771 +177000 ekin = 3.7232933477479 | erot = 4.39637021744871 | epot = -38.6555013846403 | etot = -30.5358378194437 +178000 ekin = 3.7991935766677 | erot = 4.00194735045329 | epot = -38.6620582075599 | etot = -30.8609172804389 +179000 ekin = 3.78008346787859 | erot = 4.05267692212526 | epot = -38.6224110467893 | etot = -30.7896506567854 +180000 ekin = 3.84388711467645 | erot = 3.70916125532564 | epot = -38.5399848480517 | etot = -30.9869364780496 +181000 ekin = 3.78854199589317 | erot = 3.43025530256468 | epot = -38.4472679874805 | etot = -31.2284706890226 +182000 ekin = 3.65298336461982 | erot = 3.4144670384005 | epot = -38.3421256904839 | etot = -31.2746752874636 +183000 ekin = 3.57592466495272 | erot = 3.54000226366918 | epot = -38.2342661287443 | etot = -31.1183392001224 +184000 ekin = 3.59097293869161 | erot = 3.49764131752706 | epot = -38.1237685559035 | etot = -31.0351542996848 +185000 ekin = 3.59874593561892 | erot = 3.34180949424631 | epot = -38.0345613955437 | etot = -31.0940059656785 +186000 ekin = 3.55637392703387 | erot = 3.60010534755636 | epot = -37.9685691221056 | etot = -30.8120898475154 +187000 ekin = 3.30341471869181 | erot = 3.63282669533297 | epot = -37.9082034969871 | etot = -30.9719620829623 +188000 ekin = 3.25151380843728 | erot = 3.4158708150676 | epot = -37.8374520507023 | etot = -31.1700674271975 +189000 ekin = 3.09888859581603 | erot = 3.51324139411299 | epot = -37.7831379378025 | etot = -31.1710079478735 +190000 ekin = 2.9309664789049 | erot = 3.73100049541724 | epot = -37.7090579094215 | etot = -31.0470909350994 +191000 ekin = 2.7884578953631 | erot = 3.59181404756254 | epot = -37.6234731970084 | etot = -31.2432012540828 +192000 ekin = 2.68708504006426 | erot = 3.91911783313626 | epot = -37.526883385388 | etot = -30.9206805121875 +193000 ekin = 2.65091164661301 | erot = 3.82754219131902 | epot = -37.4213833049326 | etot = -30.9429294670006 +194000 ekin = 2.55372434146215 | erot = 3.81228833556049 | epot = -37.3433541779816 | etot = -30.977341500959 +195000 ekin = 2.54515296633922 | erot = 3.77157425987472 | epot = -37.2550689450336 | etot = -30.9383417188196 +196000 ekin = 2.57228739351393 | erot = 3.48448370430655 | epot = -37.1707275909677 | etot = -31.1139564931472 +197000 ekin = 2.47659034250743 | erot = 3.31788075232347 | epot = -37.1125490303323 | etot = -31.3180779355014 +198000 ekin = 2.47817611131623 | erot = 3.41593598489791 | epot = -37.0628542395745 | etot = -31.1687421433604 +199000 ekin = 2.46398696321861 | erot = 3.79330738397083 | epot = -37.0410272717131 | etot = -30.7837329245237 +200000 ekin = 2.66032750534619 | erot = 3.50045834258033 | epot = -37.0560186461538 | etot = -30.8952327982273 +201000 ekin = 2.82925423269724 | erot = 3.87280363693036 | epot = -37.1094527749141 | etot = -30.4073949052865 +202000 ekin = 2.87690134773435 | erot = 3.73724666810631 | epot = -37.1548849140444 | etot = -30.5407368982037 +203000 ekin = 3.09789929071291 | erot = 3.54687635269494 | epot = -37.1913390618662 | etot = -30.5465634184584 +204000 ekin = 3.2249783082041 | erot = 3.52082166300909 | epot = -37.2064645595876 | etot = -30.4606645883744 +205000 ekin = 3.08968228459873 | erot = 3.62768693137654 | epot = -37.2539593887052 | etot = -30.5365901727299 +206000 ekin = 3.1101415017481 | erot = 3.73856786590981 | epot = -37.3166778706669 | etot = -30.467968503009 +207000 ekin = 3.1829453735338 | erot = 4.25652712659376 | epot = -37.3463184168161 | etot = -29.9068459166886 +208000 ekin = 3.18396090757444 | erot = 4.43896014450663 | epot = -37.3566061410102 | etot = -29.7336850889291 +209000 ekin = 3.31348354672045 | erot = 3.97662877739679 | epot = -37.3764215045056 | etot = -30.0863091803884 +210000 ekin = 3.17486958285119 | erot = 3.68714944924489 | epot = -37.3622513109274 | etot = -30.5002322788313 +211000 ekin = 3.2477738173839 | erot = 3.39112189744197 | epot = -37.3847088569504 | etot = -30.7458131421245 +212000 ekin = 3.12182354729226 | erot = 3.15133571404853 | epot = -37.4262282165348 | etot = -31.153068955194 +213000 ekin = 3.1232309019731 | erot = 3.03298058440268 | epot = -37.4993866522035 | etot = -31.3431751658277 +214000 ekin = 3.02782055391866 | erot = 3.5189307426383 | epot = -37.618739888869 | etot = -31.071988592312 +215000 ekin = 3.08902625374254 | erot = 3.62054952513122 | epot = -37.8003692924875 | etot = -31.0907935136138 +216000 ekin = 3.0402918166672 | erot = 4.36545701920737 | epot = -38.0086846511918 | etot = -30.6029358153172 +217000 ekin = 3.11869416684308 | erot = 4.23835788568589 | epot = -38.1755180741878 | etot = -30.8184660216589 +218000 ekin = 3.12136726795473 | erot = 3.99627368131625 | epot = -38.3382201370155 | etot = -31.2205791877445 +219000 ekin = 3.2474996523994 | erot = 4.03289859762084 | epot = -38.4910930976405 | etot = -31.2106948476203 +220000 ekin = 3.1973165065664 | erot = 4.16726840142166 | epot = -38.6410163306451 | etot = -31.276431422657 +221000 ekin = 3.14591003185424 | erot = 4.4764367328117 | epot = -38.780722121156 | etot = -31.15837535649 +222000 ekin = 3.06194834255767 | erot = 4.40957176775797 | epot = -38.8960295960944 | etot = -31.4245094857787 +223000 ekin = 3.09392792198335 | erot = 4.36929377800867 | epot = -38.9696160320109 | etot = -31.5063943320188 +224000 ekin = 3.18434099924865 | erot = 4.674141260581 | epot = -39.0019773177328 | etot = -31.1434950579031 +225000 ekin = 3.26887097312573 | erot = 4.32849031089069 | epot = -39.0446790784002 | etot = -31.4473177943838 +226000 ekin = 3.21195731331512 | erot = 5.11387401999741 | epot = -39.0947841174991 | etot = -30.7689527841866 +227000 ekin = 3.12036258026498 | erot = 5.06347912205044 | epot = -39.0762383614625 | etot = -30.8923966591471 +228000 ekin = 3.09996729726213 | erot = 5.29564700287486 | epot = -39.0208988713251 | etot = -30.6252845711881 +229000 ekin = 3.03897933795902 | erot = 5.24780237112332 | epot = -38.9575212211327 | etot = -30.6707395120503 +230000 ekin = 3.00051887289146 | erot = 4.62162674048183 | epot = -38.9098464143818 | etot = -31.2877008010086 +231000 ekin = 2.91912781370872 | erot = 4.16321547565937 | epot = -38.8503568044396 | etot = -31.7680135150715 +232000 ekin = 2.80548407611275 | erot = 4.26963451717891 | epot = -38.7971045932123 | etot = -31.7219859999206 +233000 ekin = 2.921352071703 | erot = 4.30663886521625 | epot = -38.7943069633021 | etot = -31.5663160263829 +234000 ekin = 2.8987567571007 | erot = 4.15218445741161 | epot = -38.7953536145697 | etot = -31.7444124000574 +235000 ekin = 2.99243729544443 | erot = 3.66858116296993 | epot = -38.7881689836612 | etot = -32.1271505252468 +236000 ekin = 3.05722012426337 | erot = 3.77007572255967 | epot = -38.8307946718328 | etot = -32.0034988250098 +237000 ekin = 2.93797686036748 | erot = 4.00589644921927 | epot = -38.929946515337 | etot = -31.9860732057502 +238000 ekin = 2.9414435200925 | erot = 3.88111097233617 | epot = -39.0498657472631 | etot = -32.2273112548344 +239000 ekin = 3.10382951223872 | erot = 3.96380163382871 | epot = -39.1526703213401 | etot = -32.0850391752727 +240000 ekin = 3.05998182778604 | erot = 4.32395093282883 | epot = -39.2052189603879 | etot = -31.821286199773 +241000 ekin = 3.07091800265519 | erot = 4.10063821004074 | epot = -39.2356744872187 | etot = -32.0641182745228 +242000 ekin = 2.97211136503677 | erot = 4.19271702506013 | epot = -39.2591861941867 | etot = -32.0943578040898 +243000 ekin = 2.88784895332253 | erot = 4.01063377556442 | epot = -39.2721844581366 | etot = -32.3737017292496 +244000 ekin = 2.72034159299267 | erot = 3.9497078953668 | epot = -39.2969463203695 | etot = -32.62689683201 +245000 ekin = 2.73288139378783 | erot = 4.29552525608627 | epot = -39.3467303394195 | etot = -32.3183236895454 +246000 ekin = 2.68282749729218 | erot = 4.43958709181175 | epot = -39.4036850899301 | etot = -32.2812705008262 +247000 ekin = 2.73156079717717 | erot = 4.29997633507683 | epot = -39.4831744493476 | etot = -32.4516373170936 +248000 ekin = 2.71615239962776 | erot = 4.48384110145867 | epot = -39.5625690361122 | etot = -32.3625755350257 +249000 ekin = 2.72571373834881 | erot = 4.5335019483569 | epot = -39.6161562336935 | etot = -32.3569405469878 +250000 ekin = 2.67302825179683 | erot = 5.17929377782009 | epot = -39.6758534551748 | etot = -31.8235314255579 +251000 ekin = 2.6507365898703 | erot = 5.39364408144172 | epot = -39.7013652486056 | etot = -31.6569845772935 +252000 ekin = 2.81604561937354 | erot = 5.50799647083842 | epot = -39.6939189845586 | etot = -31.3698768943466 +253000 ekin = 2.83629985586585 | erot = 4.91166111825379 | epot = -39.6825773475315 | etot = -31.9346163734119 +254000 ekin = 2.79908189634044 | erot = 4.88281944777383 | epot = -39.6620010988144 | etot = -31.9800997547001 +255000 ekin = 2.84238496514409 | erot = 4.79166487708097 | epot = -39.6680683880925 | etot = -32.0340185458674 +256000 ekin = 2.82611571908347 | erot = 4.38756969310712 | epot = -39.7220228798985 | etot = -32.5083374677079 +257000 ekin = 2.78077325096871 | erot = 4.5642639453855 | epot = -39.7657957602323 | etot = -32.420758563878 +258000 ekin = 2.84466353932841 | erot = 4.94939241805645 | epot = -39.7743058264474 | etot = -31.9802498690625 +259000 ekin = 2.82994372921754 | erot = 4.84156348043289 | epot = -39.7845084321782 | etot = -32.1130012225278 +260000 ekin = 2.84769599243485 | erot = 4.63369709433921 | epot = -39.8060470464454 | etot = -32.3246539596713 +261000 ekin = 2.87237157835352 | erot = 4.51865061212279 | epot = -39.7979847736537 | etot = -32.4069625831774 +262000 ekin = 2.96750612225965 | erot = 4.57561390426948 | epot = -39.7782660470083 | etot = -32.2351460204792 +263000 ekin = 2.9928936584238 | erot = 4.20953311292943 | epot = -39.7453211677642 | etot = -32.542894396411 +264000 ekin = 3.02610258005868 | erot = 4.41804994162532 | epot = -39.7005266944526 | etot = -32.2563741727686 +265000 ekin = 3.02210011112739 | erot = 4.29011549844082 | epot = -39.6578667285885 | etot = -32.3456511190202 +266000 ekin = 2.9552602997359 | erot = 3.9722013360736 | epot = -39.586314373395 | etot = -32.6588527375855 +267000 ekin = 2.96306286479368 | erot = 4.39982365552042 | epot = -39.5117362736935 | etot = -32.1488497533794 +268000 ekin = 2.98837918599768 | erot = 4.59043107838106 | epot = -39.4346030266013 | etot = -31.8557927622225 +269000 ekin = 2.92733730866694 | erot = 4.81492520489307 | epot = -39.3017884762547 | etot = -31.5595259626947 +270000 ekin = 2.90335610024247 | erot = 4.98515255872076 | epot = -39.1437745457484 | etot = -31.2552658867851 +271000 ekin = 2.87611923369216 | erot = 5.02631285080427 | epot = -38.9919498909516 | etot = -31.0895178064552 +272000 ekin = 2.8777026077458 | erot = 4.83651556609768 | epot = -38.8408093950138 | etot = -31.1265912211703 +273000 ekin = 2.77329089721161 | erot = 4.69693225863749 | epot = -38.6610493537941 | etot = -31.190826197945 +274000 ekin = 2.68625637002646 | erot = 4.51669986790578 | epot = -38.450972898294 | etot = -31.2480166603618 +275000 ekin = 2.6033032445429 | erot = 4.20171703621303 | epot = -38.2182499356279 | etot = -31.413229654872 +276000 ekin = 2.57183076311405 | erot = 3.79152446287658 | epot = -38.0174336495132 | etot = -31.6540784235226 +277000 ekin = 2.49975386368552 | erot = 3.59614150828643 | epot = -37.8474968832234 | etot = -31.7516015112514 +278000 ekin = 2.46398069339692 | erot = 3.65098267442651 | epot = -37.6582057642292 | etot = -31.5432423964058 +279000 ekin = 2.48339824565301 | erot = 3.67548575635043 | epot = -37.5048702413578 | etot = -31.3459862393543 +280000 ekin = 2.53376634761115 | erot = 3.55656380463993 | epot = -37.3937621487775 | etot = -31.3034319965264 +281000 ekin = 2.67002406168555 | erot = 3.81689537677439 | epot = -37.3207483356567 | etot = -30.8338288971967 +282000 ekin = 2.63534042744469 | erot = 3.62617225051201 | epot = -37.2561498174831 | etot = -30.9946371395264 +283000 ekin = 2.6220496059321 | erot = 3.60063437351299 | epot = -37.1865464899412 | etot = -30.9638625104961 +284000 ekin = 2.67681575008794 | erot = 3.61566503901023 | epot = -37.1459845078296 | etot = -30.8535037187314 +285000 ekin = 2.71360352201128 | erot = 3.48822466196441 | epot = -37.1436040722677 | etot = -30.941775888292 +286000 ekin = 2.72409949367879 | erot = 3.69046973300079 | epot = -37.1515114688671 | etot = -30.7369422421875 +287000 ekin = 2.78141221541732 | erot = 3.56169254019539 | epot = -37.1836412585713 | etot = -30.8405365029586 +288000 ekin = 2.93111949257226 | erot = 3.8525227571685 | epot = -37.2722312757955 | etot = -30.4885890260548 +289000 ekin = 3.22039073654125 | erot = 3.65796134125549 | epot = -37.4105935842029 | etot = -30.5322415064062 +290000 ekin = 3.45543672952192 | erot = 3.63587074171854 | epot = -37.5601919395408 | etot = -30.4688844683004 +291000 ekin = 3.52760878967926 | erot = 4.20430698093698 | epot = -37.7322836777775 | etot = -30.0003679071612 +292000 ekin = 3.68972381818942 | erot = 4.12076553978665 | epot = -37.9100323199299 | etot = -30.0995429619539 +293000 ekin = 3.83177225674892 | erot = 4.37726484522697 | epot = -38.0821109906697 | etot = -29.8730738886939 +294000 ekin = 4.06640459910211 | erot = 3.74462680595297 | epot = -38.1926156973085 | etot = -30.3815842922535 +295000 ekin = 4.21784736111078 | erot = 3.82616484716752 | epot = -38.2890286287625 | etot = -30.2450164204842 +296000 ekin = 4.26440738773668 | erot = 3.95694734709923 | epot = -38.3824567525616 | etot = -30.1611020177257 +297000 ekin = 4.04618321058719 | erot = 4.11344152769709 | epot = -38.4823151027027 | etot = -30.3226903644185 +298000 ekin = 4.04534420229663 | erot = 4.08413503201891 | epot = -38.5648464298591 | etot = -30.4353671955436 +299000 ekin = 4.0589099673587 | erot = 4.75454163668515 | epot = -38.639463237644 | etot = -29.8260116336001 +300000 ekin = 4.06355522455796 | erot = 4.46292256841625 | epot = -38.7062117520832 | etot = -30.179733959109 +301000 ekin = 4.01853385887688 | erot = 4.67242188374982 | epot = -38.7555551980343 | etot = -30.0645994554076 +302000 ekin = 3.97170308302913 | erot = 4.62245717998414 | epot = -38.7884989680142 | etot = -30.194338705001 +303000 ekin = 4.00670279913523 | erot = 4.89772983741929 | epot = -38.799236313657 | etot = -29.8948036771024 +304000 ekin = 3.81374525151692 | erot = 4.6538936598735 | epot = -38.8327396351166 | etot = -30.3651007237262 +305000 ekin = 3.70792918499072 | erot = 4.53646691129901 | epot = -38.8671341843092 | etot = -30.6227380880195 +306000 ekin = 3.58519135856873 | erot = 4.40317156262038 | epot = -38.8961174826077 | etot = -30.9077545614186 +307000 ekin = 3.52830601019332 | erot = 4.12955816022909 | epot = -38.9381266871201 | etot = -31.2802625166977 +308000 ekin = 3.37444573697916 | erot = 3.65266283146942 | epot = -38.9820449321945 | etot = -31.9549363637459 +309000 ekin = 3.29877896595905 | erot = 4.06788139443827 | epot = -39.0365696198577 | etot = -31.6699092594604 +310000 ekin = 3.27216182566108 | erot = 3.86752279813189 | epot = -39.0649343092171 | etot = -31.9252496854241 +311000 ekin = 3.26050147382307 | erot = 3.90928978323579 | epot = -39.0580520931933 | etot = -31.8882608361345 +312000 ekin = 3.1848300908952 | erot = 3.90959546619215 | epot = -39.0257212693578 | etot = -31.9312957122705 +313000 ekin = 3.09609326591794 | erot = 3.75025646421268 | epot = -38.9535227577836 | etot = -32.107173027653 +314000 ekin = 2.95184537018541 | erot = 4.07381717812352 | epot = -38.8888909934781 | etot = -31.8632284451692 +315000 ekin = 2.92238623527564 | erot = 3.96815066682756 | epot = -38.8370494801766 | etot = -31.9465125780734 +316000 ekin = 2.71301507861594 | erot = 3.8080797893295 | epot = -38.7998345743978 | etot = -32.2787397064523 +317000 ekin = 2.71357150367643 | erot = 4.15190966526588 | epot = -38.7626719044114 | etot = -31.8971907354691 +318000 ekin = 2.62158267835355 | erot = 4.27134701113463 | epot = -38.7271070788674 | etot = -31.8341773893792 +319000 ekin = 2.55366548062856 | erot = 4.41350408683224 | epot = -38.7297464727615 | etot = -31.7625769053007 +320000 ekin = 2.4339724053854 | erot = 4.29070167476865 | epot = -38.7203908826319 | etot = -31.9957168024778 +321000 ekin = 2.40916961938935 | erot = 4.08120981437149 | epot = -38.7041016741434 | etot = -32.2137222403825 +322000 ekin = 2.40921951438688 | erot = 3.84656254092896 | epot = -38.6896664254557 | etot = -32.4338843701398 +323000 ekin = 2.47763175846145 | erot = 3.74024157191546 | epot = -38.6582034756257 | etot = -32.4403301452488 +324000 ekin = 2.50557286685252 | erot = 3.62726015904503 | epot = -38.6277589097221 | etot = -32.4949258838246 +325000 ekin = 2.46128003790462 | erot = 3.30955838055067 | epot = -38.61822105265 | etot = -32.8473826341947 +326000 ekin = 2.50360422224121 | erot = 3.11309077075955 | epot = -38.6155228491476 | etot = -32.9988278561469 +327000 ekin = 2.58559564340003 | erot = 3.03172964208493 | epot = -38.6235874334491 | etot = -33.0062621479641 +328000 ekin = 2.74984266079838 | erot = 3.02808338407911 | epot = -38.6550386035093 | etot = -32.8771125586319 +329000 ekin = 2.91966436364505 | erot = 2.9714434817756 | epot = -38.682045485323 | etot = -32.7909376399024 +330000 ekin = 3.01494295487819 | erot = 3.4413838499053 | epot = -38.7383158304585 | etot = -32.281989025675 +331000 ekin = 3.02442201542022 | erot = 3.78657407910222 | epot = -38.7939596216319 | etot = -31.9829635271095 +332000 ekin = 3.04445691127431 | erot = 3.82788901953126 | epot = -38.8517978078765 | etot = -31.9794518770709 +333000 ekin = 3.03465557138393 | erot = 3.68623317701479 | epot = -38.9019287356725 | etot = -32.1810399872737 +334000 ekin = 2.9809147586341 | erot = 3.87909097065051 | epot = -38.9429458678103 | etot = -32.0829401385257 +335000 ekin = 3.18730692360922 | erot = 3.92298153235814 | epot = -38.9915367606723 | etot = -31.8812483047049 +336000 ekin = 3.28082580011875 | erot = 4.25501923477967 | epot = -39.038294903881 | etot = -31.5024498689825 +337000 ekin = 3.33075954016491 | erot = 4.58632261209059 | epot = -39.0662594017921 | etot = -31.1491772495366 +338000 ekin = 3.31328438683341 | erot = 4.17966745642972 | epot = -39.0415239975115 | etot = -31.5485721542484 +339000 ekin = 3.33917527804132 | erot = 4.28130062815465 | epot = -38.9842917012714 | etot = -31.3638157950754 +340000 ekin = 3.33492148280264 | erot = 4.35651035139105 | epot = -38.8943885223068 | etot = -31.2029566881131 +341000 ekin = 3.3461417209637 | erot = 4.05115720989158 | epot = -38.7823758155587 | etot = -31.3850768847035 +342000 ekin = 3.34251507796689 | erot = 4.42814474655732 | epot = -38.6331517957714 | etot = -30.8624919712472 +343000 ekin = 3.20631341754623 | erot = 3.78967989344565 | epot = -38.4960486393224 | etot = -31.5000553283305 +344000 ekin = 3.07148244251166 | erot = 3.87583965670226 | epot = -38.3948328820768 | etot = -31.4475107828629 +345000 ekin = 3.09789874291718 | erot = 3.9946056524089 | epot = -38.3201974875894 | etot = -31.2276930922633 +346000 ekin = 3.0250008126834 | erot = 3.91508207831934 | epot = -38.2750630613601 | etot = -31.3349801703574 +347000 ekin = 2.94406849477781 | erot = 3.86229670162422 | epot = -38.2289722622904 | etot = -31.4226070658884 +348000 ekin = 2.95641250006446 | erot = 3.72625853383758 | epot = -38.1919210104045 | etot = -31.5092499765025 +349000 ekin = 3.03918076184492 | erot = 3.94202050743572 | epot = -38.1810668298085 | etot = -31.1998655605279 +350000 ekin = 3.09062612520409 | erot = 3.91215331884796 | epot = -38.2023245264387 | etot = -31.1995450823866 +351000 ekin = 3.13831719496483 | erot = 3.99916602553205 | epot = -38.2111529945909 | etot = -31.073669774094 +352000 ekin = 3.10196313130359 | erot = 3.92254342354132 | epot = -38.2543166357449 | etot = -31.2298100809 +353000 ekin = 3.17266611312447 | erot = 3.8947350963975 | epot = -38.3205511283306 | etot = -31.2531499188087 +354000 ekin = 3.20288707130899 | erot = 4.38957454856388 | epot = -38.3888699269269 | etot = -30.7964083070541 +355000 ekin = 3.15965957595978 | erot = 4.27393537405648 | epot = -38.4369161779509 | etot = -31.0033212279347 +356000 ekin = 3.01967844026133 | erot = 4.46559381130412 | epot = -38.4622452099032 | etot = -30.9769729583378 +357000 ekin = 2.97836465744991 | erot = 4.24123654484996 | epot = -38.4340474220208 | etot = -31.214446219721 +358000 ekin = 2.90298621775697 | erot = 4.00214290087714 | epot = -38.3669225243922 | etot = -31.4617934057581 +359000 ekin = 2.89703951576617 | erot = 3.75540528896971 | epot = -38.2596281019021 | etot = -31.6071832971662 +360000 ekin = 2.8951746897939 | erot = 3.69844688179068 | epot = -38.1408983158929 | etot = -31.5472767443083 +361000 ekin = 2.80138616808281 | erot = 3.38323529451493 | epot = -38.0246589917389 | etot = -31.8400375291412 +362000 ekin = 2.77162168417597 | erot = 2.91331523066534 | epot = -37.9398868290147 | etot = -32.2549499141734 +363000 ekin = 2.78539815378419 | erot = 2.68460040337592 | epot = -37.8665635409936 | etot = -32.3965649838335 +364000 ekin = 2.68067812192279 | erot = 2.78677391239245 | epot = -37.7617899033782 | etot = -32.2943378690629 +365000 ekin = 2.54070043685867 | erot = 2.83653994835764 | epot = -37.6554311404473 | etot = -32.278190755231 +366000 ekin = 2.41606481092133 | erot = 2.86609766611194 | epot = -37.5516282283376 | etot = -32.2694657513043 +367000 ekin = 2.46811866465482 | erot = 3.34221140329001 | epot = -37.4475028758825 | etot = -31.6371728079377 +368000 ekin = 2.42926223365496 | erot = 3.33046663396731 | epot = -37.3674460967944 | etot = -31.6077172291721 +369000 ekin = 2.43816169312797 | erot = 3.26459431026922 | epot = -37.3019788371043 | etot = -31.5992228337071 +370000 ekin = 2.46038177337534 | erot = 3.10066469966258 | epot = -37.2626057339964 | etot = -31.7015592609585 +371000 ekin = 2.4406243852624 | erot = 2.87778487491552 | epot = -37.2539180634396 | etot = -31.9355088032617 +372000 ekin = 2.41196438326736 | erot = 3.07515188922142 | epot = -37.3089635753533 | etot = -31.8218473028645 +373000 ekin = 2.48050565170792 | erot = 3.18196875652289 | epot = -37.4397878357734 | etot = -31.7773134275426 +374000 ekin = 2.6353068806194 | erot = 3.59156982435214 | epot = -37.5884648424034 | etot = -31.3615881374319 +375000 ekin = 2.68283894448276 | erot = 3.32451084068228 | epot = -37.7715422578283 | etot = -31.7641924726633 +376000 ekin = 2.79488034579927 | erot = 3.22988532668866 | epot = -38.000903910215 | etot = -31.976138237727 +377000 ekin = 2.97793932778653 | erot = 3.14879447385383 | epot = -38.2360750185569 | etot = -32.1093412169166 +378000 ekin = 3.04959845592839 | erot = 3.49481966296078 | epot = -38.5013695235685 | etot = -31.9569514046793 +379000 ekin = 3.1910641072712 | erot = 3.36561045250094 | epot = -38.7688607813369 | etot = -32.2121862215648 +380000 ekin = 3.25183572215737 | erot = 3.58875776192786 | epot = -39.0288452181145 | etot = -32.1882517340293 +381000 ekin = 3.33794215221605 | erot = 3.6933917756671 | epot = -39.3017064605084 | etot = -32.2703725326252 +382000 ekin = 3.49270190624151 | erot = 3.86829998834037 | epot = -39.5268729273467 | etot = -32.1658710327648 +383000 ekin = 3.55662169084786 | erot = 3.53333329088014 | epot = -39.7267791075158 | etot = -32.6368241257878 +384000 ekin = 3.69351012028553 | erot = 3.28268730044342 | epot = -39.878987472358 | etot = -32.9027900516291 +385000 ekin = 3.6873370603751 | erot = 3.68055641648018 | epot = -39.9998839253488 | etot = -32.6319904484935 +386000 ekin = 3.71694831249288 | erot = 3.79434784508072 | epot = -40.0869801892987 | etot = -32.5756840317251 +387000 ekin = 3.76861509268675 | erot = 3.88558369375098 | epot = -40.1715737743674 | etot = -32.5173749879297 +388000 ekin = 3.83017606883369 | erot = 4.20859412334364 | epot = -40.2007323597246 | etot = -32.1619621675473 +389000 ekin = 3.86768485031755 | erot = 3.99003783907115 | epot = -40.1899129305041 | etot = -32.3321902411154 +390000 ekin = 3.97485559059836 | erot = 3.73907035926323 | epot = -40.1534652302145 | etot = -32.4395392803529 +391000 ekin = 3.99255423920733 | erot = 3.4598541410162 | epot = -40.0955220791988 | etot = -32.6431136989752 +392000 ekin = 4.01983776245659 | erot = 3.68425742647522 | epot = -39.9999647918603 | etot = -32.2958696029285 +393000 ekin = 4.02356764424238 | erot = 3.83787437414739 | epot = -39.8549016020689 | etot = -31.9934595836791 +394000 ekin = 3.93980876114311 | erot = 3.99211744164141 | epot = -39.7011477670265 | etot = -31.769221564242 +395000 ekin = 4.11174368478708 | erot = 3.75033473410268 | epot = -39.5451859148434 | etot = -31.6831074959536 +396000 ekin = 4.20376876107151 | erot = 3.67040632781378 | epot = -39.3948809980869 | etot = -31.5207059092016 +397000 ekin = 4.1363357284298 | erot = 3.65151581957621 | epot = -39.2564297317577 | etot = -31.4685781837517 +398000 ekin = 4.13905245601608 | erot = 3.71620600673377 | epot = -39.093596770216 | etot = -31.2383383074661 +399000 ekin = 4.10332411545508 | erot = 3.71374971681594 | epot = -38.9205234935041 | etot = -31.1034496612331 +400000 ekin = 4.0676601690846 | erot = 3.4213950465438 | epot = -38.7497473150008 | etot = -31.2606920993724 +401000 ekin = 3.9728416411198 | erot = 3.81120481171758 | epot = -38.6001977504162 | etot = -30.8161512975788 +402000 ekin = 3.90587383547448 | erot = 3.5341882621858 | epot = -38.4681757167875 | etot = -31.0281136191273 +403000 ekin = 3.91259869514543 | erot = 3.637386391841 | epot = -38.3230308363683 | etot = -30.7730457493819 +404000 ekin = 3.79936006877817 | erot = 3.32641249272551 | epot = -38.2009092385688 | etot = -31.0751366770651 +405000 ekin = 3.82517596801147 | erot = 3.13064904024263 | epot = -38.1553776059003 | etot = -31.1995525976462 +406000 ekin = 3.73725599382596 | erot = 3.08306268157758 | epot = -38.1316917306566 | etot = -31.3113730552531 +407000 ekin = 3.72651775045891 | erot = 3.09861818078628 | epot = -38.1634910279952 | etot = -31.33835509675 +408000 ekin = 3.79931976439455 | erot = 3.25718386016379 | epot = -38.2217683212397 | etot = -31.1652646966813 +409000 ekin = 3.95093187918723 | erot = 3.43950409776017 | epot = -38.2689453197332 | etot = -30.8785093427858 +410000 ekin = 4.07121708138893 | erot = 3.83760071106065 | epot = -38.3189798432044 | etot = -30.4101620507548 +411000 ekin = 4.2330797855817 | erot = 3.98162063698068 | epot = -38.3721329673505 | etot = -30.1574325447882 +412000 ekin = 4.24117080814308 | erot = 3.9973719347696 | epot = -38.4124767699444 | etot = -30.1739340270317 +413000 ekin = 4.23580670923557 | erot = 3.81064398502802 | epot = -38.4212920990953 | etot = -30.3748414048317 +414000 ekin = 4.27445938143094 | erot = 3.98124541320507 | epot = -38.4106571527343 | etot = -30.1549523580983 +415000 ekin = 4.388994790051 | erot = 3.80279226112407 | epot = -38.3596783722966 | etot = -30.1678913211216 +416000 ekin = 4.45628965411069 | erot = 3.63102956113301 | epot = -38.3042311126169 | etot = -30.2169118973732 +417000 ekin = 4.49028461121071 | erot = 3.62754419666011 | epot = -38.2583198089302 | etot = -30.1404910010594 +418000 ekin = 4.45936601962006 | erot = 3.71144506663867 | epot = -38.1813464675299 | etot = -30.0105353812712 +419000 ekin = 4.38379837521009 | erot = 3.33513327030929 | epot = -38.0724868069421 | etot = -30.3535551614227 +420000 ekin = 4.283111933024 | erot = 3.09826419668627 | epot = -37.9370678690099 | etot = -30.5556917392996 +421000 ekin = 4.15248097510599 | erot = 3.56237827808249 | epot = -37.7709210423884 | etot = -30.0560617891999 +422000 ekin = 3.95490687211586 | erot = 3.47480957997355 | epot = -37.5854884820711 | etot = -30.1557720299817 +423000 ekin = 3.91714305790352 | erot = 3.48476286323411 | epot = -37.3949936437695 | etot = -29.9930877226319 +424000 ekin = 3.84213202460282 | erot = 3.52777059768047 | epot = -37.2158434462619 | etot = -29.8459408239786 +425000 ekin = 3.71924289661379 | erot = 3.3366360966062 | epot = -37.0722526001231 | etot = -30.0163736069031 +426000 ekin = 3.64441997260638 | erot = 3.3622793544102 | epot = -36.9667678357552 | etot = -29.9600685087386 +427000 ekin = 3.75655721345773 | erot = 3.37897054079372 | epot = -36.8611280898054 | etot = -29.725600335554 +428000 ekin = 3.74409443646511 | erot = 3.17732872354239 | epot = -36.742715037602 | etot = -29.8212918775945 +429000 ekin = 3.66329028317848 | erot = 2.78764787478689 | epot = -36.6486255145436 | etot = -30.1976873565782 +430000 ekin = 3.62135290496431 | erot = 2.67337975160585 | epot = -36.5606041515419 | etot = -30.2658714949718 +431000 ekin = 3.61616361793039 | erot = 2.69754710014207 | epot = -36.506732939117 | etot = -30.1930222210445 +432000 ekin = 3.49552617760814 | erot = 3.08491352170466 | epot = -36.485170074763 | etot = -29.9047303754502 +433000 ekin = 3.58020816083934 | erot = 2.88002256286323 | epot = -36.5217696117553 | etot = -30.0615388880528 +434000 ekin = 3.59867849318961 | erot = 3.08407973313556 | epot = -36.6202495320039 | etot = -29.9374913056787 +435000 ekin = 3.67331527289028 | erot = 3.42657552434431 | epot = -36.7488916307825 | etot = -29.6490008335479 +436000 ekin = 3.82088042289265 | erot = 3.6544744236991 | epot = -36.9085622220518 | etot = -29.4332073754601 +437000 ekin = 3.8686942167376 | erot = 3.9547028707988 | epot = -37.0720316005958 | etot = -29.2486345130594 +438000 ekin = 4.11090595842079 | erot = 3.77540801446856 | epot = -37.2088542252226 | etot = -29.3225402523332 +439000 ekin = 4.12926159073598 | erot = 4.06917140325898 | epot = -37.3517590512211 | etot = -29.1533260572261 +440000 ekin = 4.09029177261519 | erot = 4.1498129956529 | epot = -37.4912988817269 | etot = -29.2511941134589 +441000 ekin = 4.14485979348676 | erot = 4.37283240826401 | epot = -37.6181493098546 | etot = -29.1004571081038 +442000 ekin = 4.12304009572835 | erot = 4.39045893698218 | epot = -37.7155315750663 | etot = -29.2020325423558 +443000 ekin = 4.23471751438722 | erot = 4.14989601608929 | epot = -37.768614271265 | etot = -29.3840007407884 +444000 ekin = 4.35772646838213 | erot = 4.52232474512896 | epot = -37.7816885908051 | etot = -28.901637377294 +445000 ekin = 4.39118784053251 | erot = 4.66570824296103 | epot = -37.7439950146597 | etot = -28.6870989311661 +446000 ekin = 4.3967592176502 | erot = 4.46936063153373 | epot = -37.6960851354907 | etot = -28.8299652863068 +447000 ekin = 4.35336664890431 | erot = 4.44173113672768 | epot = -37.6140263912413 | etot = -28.8189286056093 +448000 ekin = 4.28498441172967 | erot = 4.19781838322426 | epot = -37.5090341348628 | etot = -29.0262313399088 +449000 ekin = 4.31763982219639 | erot = 4.52832551746767 | epot = -37.408401745433 | etot = -28.562436405769 +450000 ekin = 4.34138928411246 | erot = 4.4425856403743 | epot = -37.3062489259439 | etot = -28.5222740014571 +451000 ekin = 4.30985185878589 | erot = 4.23825662962939 | epot = -37.1459619150062 | etot = -28.5978534265909 +452000 ekin = 4.32592045036082 | erot = 3.86602766630272 | epot = -36.9847035634509 | etot = -28.7927554467874 +453000 ekin = 4.32845268851047 | erot = 3.54171363095611 | epot = -36.8340779762826 | etot = -28.963911656816 +454000 ekin = 4.31011457813686 | erot = 3.79537837348586 | epot = -36.7199830616561 | etot = -28.6144901100334 +455000 ekin = 4.29550433639196 | erot = 3.85241036204662 | epot = -36.6489739160373 | etot = -28.5010592175987 +456000 ekin = 4.37032742709179 | erot = 4.00721124204766 | epot = -36.6190063800959 | etot = -28.2414677109564 +457000 ekin = 4.3642647028677 | erot = 3.8563715204494 | epot = -36.5969553476855 | etot = -28.3763191243684 +458000 ekin = 4.32567014378598 | erot = 3.50123530464571 | epot = -36.5630453883139 | etot = -28.7361399398822 +459000 ekin = 4.38933815738648 | erot = 3.57401843708542 | epot = -36.5693343587045 | etot = -28.6059777642326 +460000 ekin = 4.31317855607471 | erot = 4.09613513000604 | epot = -36.622903135654 | etot = -28.2135894495732 +461000 ekin = 4.31811012640158 | erot = 4.38273826542212 | epot = -36.7024780237704 | etot = -28.0016296319467 +462000 ekin = 4.3366863876999 | erot = 4.51374491218818 | epot = -36.8227361919452 | etot = -27.9723048920571 +463000 ekin = 4.27564269849647 | erot = 4.86202296781308 | epot = -36.9415310835087 | etot = -27.8038654171991 +464000 ekin = 4.2570485657353 | erot = 4.74085846897254 | epot = -37.0390079052473 | etot = -28.0411008705395 +465000 ekin = 4.27536374407081 | erot = 4.49932366093901 | epot = -37.1090432428535 | etot = -28.3343558378437 +466000 ekin = 4.30607368146059 | erot = 4.23786653917903 | epot = -37.1491605127939 | etot = -28.6052202921542 +467000 ekin = 4.24919786200451 | erot = 4.12771930877703 | epot = -37.1714598423966 | etot = -28.7945426716151 +468000 ekin = 4.39683218085583 | erot = 3.85228521386554 | epot = -37.2088712844975 | etot = -28.9597538897762 +469000 ekin = 4.64124419278975 | erot = 3.80754439193715 | epot = -37.2767302220321 | etot = -28.8279416373053 +470000 ekin = 4.66178408905666 | erot = 3.92065938428506 | epot = -37.3876740781877 | etot = -28.805230604846 +471000 ekin = 4.75392904131979 | erot = 4.24739494727089 | epot = -37.5007122646076 | etot = -28.499388276017 +472000 ekin = 4.78287126449286 | erot = 4.29738258008787 | epot = -37.5977046601012 | etot = -28.5174508155204 +473000 ekin = 4.83746609770177 | erot = 4.38666527032479 | epot = -37.6671790710827 | etot = -28.4430477030562 +474000 ekin = 4.79054197671375 | erot = 4.34169424272135 | epot = -37.6856820094294 | etot = -28.5534457899944 +475000 ekin = 4.83235787688145 | erot = 4.2178840657501 | epot = -37.6508263787863 | etot = -28.6005844361548 +476000 ekin = 4.77650421806816 | erot = 4.23519664592594 | epot = -37.5559363402038 | etot = -28.5442354762097 +477000 ekin = 4.70149228687156 | erot = 3.9495520600404 | epot = -37.4316333722385 | etot = -28.7805890253266 +478000 ekin = 4.6582861234462 | erot = 3.52306589214545 | epot = -37.3056353897914 | etot = -29.1242833741998 +479000 ekin = 4.49034904671764 | erot = 3.69691237093671 | epot = -37.1645007343035 | etot = -28.9772393166492 +480000 ekin = 4.42035953830882 | erot = 3.62614880736061 | epot = -36.985533653495 | etot = -28.9390253078256 +481000 ekin = 4.29236052675561 | erot = 3.46283113670748 | epot = -36.7788376766182 | etot = -29.0236460131551 +482000 ekin = 4.24695006747712 | erot = 3.64617122659712 | epot = -36.5783264764334 | etot = -28.6852051823592 +483000 ekin = 4.27724439911408 | erot = 3.65906944039053 | epot = -36.4031794376631 | etot = -28.4668655981585 +484000 ekin = 4.2785974211618 | erot = 3.80998418987602 | epot = -36.2601336102697 | etot = -28.1715519992319 +485000 ekin = 4.2129183719994 | erot = 3.84278230442229 | epot = -36.1415033158633 | etot = -28.0858026394416 +486000 ekin = 3.98392526407069 | erot = 3.69687119417301 | epot = -36.0420007851878 | etot = -28.3612043269441 +487000 ekin = 3.87685523954233 | erot = 3.52087214489101 | epot = -35.979017993688 | etot = -28.5812906092547 +488000 ekin = 3.74675884240033 | erot = 3.80072807053011 | epot = -35.9652058586036 | etot = -28.4177189456731 +489000 ekin = 3.61099051841836 | erot = 4.09702697313296 | epot = -35.988768679933 | etot = -28.2807511883817 +490000 ekin = 3.72073699277812 | erot = 3.89157882585036 | epot = -36.0103724524786 | etot = -28.3980566338501 +491000 ekin = 3.72740917275109 | erot = 4.01795497893011 | epot = -36.0292354570355 | etot = -28.2838713053543 +492000 ekin = 3.67547789628851 | erot = 3.85969822517323 | epot = -36.0430681478951 | etot = -28.5078920264333 +493000 ekin = 3.65198421841216 | erot = 3.75518718738367 | epot = -36.0824152706774 | etot = -28.6752438648816 +494000 ekin = 3.48528219984848 | erot = 3.81535508778541 | epot = -36.142371045584 | etot = -28.8417337579501 +495000 ekin = 3.31359070882194 | erot = 4.11558724766118 | epot = -36.226868438371 | etot = -28.7976904818878 +496000 ekin = 3.27798311005954 | erot = 3.88806115727325 | epot = -36.3363270902382 | etot = -29.1702828229054 +497000 ekin = 3.23000081873801 | erot = 4.53153851783412 | epot = -36.4817201831143 | etot = -28.7201808465422 +498000 ekin = 3.35490986062519 | erot = 4.76314991175258 | epot = -36.6514686581239 | etot = -28.5334088857461 +499000 ekin = 3.39102564180484 | erot = 4.99058516868931 | epot = -36.8025368986549 | etot = -28.4209260881608 +500000 ekin = 3.44319922277983 | erot = 4.29432196305735 | epot = -36.9177193599233 | etot = -29.1801981740861 +501000 ekin = 3.47746008955494 | erot = 4.28994173802794 | epot = -37.0187053512326 | etot = -29.2513035236497 +502000 ekin = 3.58696948456737 | erot = 4.55410136617397 | epot = -37.1018103829438 | etot = -28.9607395322024 +503000 ekin = 3.68317380855577 | erot = 4.60652443433627 | epot = -37.1620776601797 | etot = -28.8723794172877 +504000 ekin = 3.6885205301443 | erot = 4.67783023002248 | epot = -37.2052759454199 | etot = -28.8389251852531 +505000 ekin = 3.88723268453857 | erot = 4.53079850437648 | epot = -37.2950608294682 | etot = -28.8770296405532 +506000 ekin = 3.80925396925157 | erot = 4.47086505886196 | epot = -37.3479933337837 | etot = -29.0678743056702 +507000 ekin = 3.73248519551987 | erot = 4.21393839264126 | epot = -37.4256513139283 | etot = -29.4792277257672 +508000 ekin = 3.8067276018406 | erot = 3.9370807937698 | epot = -37.4951091449467 | etot = -29.7513007493363 +509000 ekin = 3.8008699116461 | erot = 3.74333566662482 | epot = -37.5406480313394 | etot = -29.9964424530685 +510000 ekin = 3.89850649197984 | erot = 3.97775581109479 | epot = -37.5934385426631 | etot = -29.7171762395885 +511000 ekin = 3.81393185765474 | erot = 4.00469160928629 | epot = -37.6349932199755 | etot = -29.8163697530345 +512000 ekin = 3.76843962846378 | erot = 4.34524756747803 | epot = -37.6787808921542 | etot = -29.5650936962124 +513000 ekin = 3.70769437024756 | erot = 4.19222442242662 | epot = -37.7114576947708 | etot = -29.8115389020966 +514000 ekin = 3.65606306228185 | erot = 4.64296237641009 | epot = -37.7095823242884 | etot = -29.4105568855964 +515000 ekin = 3.50522818557459 | erot = 4.47916848114082 | epot = -37.6783049637299 | etot = -29.6939082970145 +516000 ekin = 3.59266443877116 | erot = 5.02978018029486 | epot = -37.647700985069 | etot = -29.0252563660029 +517000 ekin = 3.53729866959076 | erot = 4.95641997732809 | epot = -37.6445412669913 | etot = -29.1508226200724 +518000 ekin = 3.5534169530515 | erot = 4.5751245967427 | epot = -37.6532745224311 | etot = -29.5247329726369 +519000 ekin = 3.61605940841979 | erot = 4.59842321288977 | epot = -37.7181887221252 | etot = -29.5037061008156 +520000 ekin = 3.6600358073691 | erot = 4.52802897844129 | epot = -37.8184531846625 | etot = -29.6303883988521 +521000 ekin = 3.57990395101953 | erot = 4.58686564429516 | epot = -37.9529160430904 | etot = -29.7861464477757 +522000 ekin = 3.587210173505 | erot = 4.78958389957781 | epot = -38.1056938634056 | etot = -29.7288997903228 +523000 ekin = 3.74553748952041 | erot = 4.82242710318173 | epot = -38.2496598519462 | etot = -29.6816952592441 +524000 ekin = 3.83672965572981 | erot = 5.17806255755526 | epot = -38.3420385705453 | etot = -29.3272463572603 +525000 ekin = 3.97426514986081 | erot = 5.13820563111665 | epot = -38.4306455211978 | etot = -29.3181747402203 +526000 ekin = 4.03278131821155 | erot = 4.61480893928533 | epot = -38.4813375347265 | etot = -29.8337472772296 +527000 ekin = 4.15303805139346 | erot = 4.03339974605304 | epot = -38.4813261438673 | etot = -30.2948883464208 +528000 ekin = 4.34085606106398 | erot = 3.6341604993604 | epot = -38.4621670653442 | etot = -30.4871505049199 +529000 ekin = 4.53593485604716 | erot = 3.72087643644196 | epot = -38.4175016483558 | etot = -30.1606903558667 +530000 ekin = 4.6583694532253 | erot = 3.58233700504177 | epot = -38.3861765288021 | etot = -30.145470070535 +531000 ekin = 4.66519878740331 | erot = 3.4109494773408 | epot = -38.3363103504892 | etot = -30.2601620857451 +532000 ekin = 4.80041164317301 | erot = 3.07760528500131 | epot = -38.3151265786574 | etot = -30.4371096504831 +533000 ekin = 4.73180745168962 | erot = 3.06230961560369 | epot = -38.3468719461379 | etot = -30.5527548788445 +534000 ekin = 4.77276572097031 | erot = 3.01963113043194 | epot = -38.4024212860539 | etot = -30.6100244346517 +535000 ekin = 4.85693928494795 | erot = 2.82516321047269 | epot = -38.5360450508863 | etot = -30.8539425554656 +536000 ekin = 4.79265980947601 | erot = 2.9077544610961 | epot = -38.7196748122559 | etot = -31.0192605416837 +537000 ekin = 4.86947955762472 | erot = 3.00989555981226 | epot = -38.9076102830992 | etot = -31.0282351656622 +538000 ekin = 5.00269155741137 | erot = 2.68875189029913 | epot = -39.0473675460743 | etot = -31.3559240983638 +539000 ekin = 4.98226102919755 | erot = 2.92188829969373 | epot = -39.1655668480607 | etot = -31.2614175191695 +540000 ekin = 4.99147016878249 | erot = 3.35574385805744 | epot = -39.2596960810254 | etot = -30.9124820541854 +541000 ekin = 4.92725844601457 | erot = 3.28345034188324 | epot = -39.3089899760125 | etot = -31.0982811881147 +542000 ekin = 4.77242859226878 | erot = 3.31966912230265 | epot = -39.2902384371049 | etot = -31.1981407225335 +543000 ekin = 4.65726157165108 | erot = 3.56099171692951 | epot = -39.1715392323122 | etot = -30.9532859437317 +544000 ekin = 4.75158561074898 | erot = 2.98586301386343 | epot = -39.0000211966265 | etot = -31.2625725720141 +545000 ekin = 4.71389651780209 | erot = 3.29722166624287 | epot = -38.8124009343345 | etot = -30.8012827502895 +546000 ekin = 4.59452933616222 | erot = 3.65785900566392 | epot = -38.6597531372893 | etot = -30.4073647954631 +547000 ekin = 4.49485576841334 | erot = 3.5222715668964 | epot = -38.5261493757312 | etot = -30.5090220404215 +548000 ekin = 4.49472654055116 | erot = 3.49603087938253 | epot = -38.3944216290947 | etot = -30.403664209161 +549000 ekin = 4.39213180937528 | erot = 3.5322876385525 | epot = -38.2774675964381 | etot = -30.3530481485103 +550000 ekin = 4.36283999146778 | erot = 3.787764410361 | epot = -38.2051317998102 | etot = -30.0545273979814 +551000 ekin = 4.3226010693822 | erot = 4.01133252124214 | epot = -38.1611801425639 | etot = -29.8272465519396 +552000 ekin = 4.3318351566455 | erot = 3.98124414472587 | epot = -38.1537721388025 | etot = -29.8406928374311 +553000 ekin = 4.30534974680463 | erot = 3.81209066755031 | epot = -38.1803693007093 | etot = -30.0629288863544 +554000 ekin = 4.29335219580303 | erot = 3.8021354596393 | epot = -38.2389597407396 | etot = -30.1434720852972 +555000 ekin = 4.45825549052375 | erot = 4.03672150414351 | epot = -38.3296083261043 | etot = -29.834631331437 +556000 ekin = 4.63230188756508 | erot = 3.70797489704063 | epot = -38.4795834327919 | etot = -30.1393066481862 +557000 ekin = 4.70622293985813 | erot = 4.51036732636205 | epot = -38.673884289528 | etot = -29.4572940233078 +558000 ekin = 4.70612532334171 | erot = 4.30314260207033 | epot = -38.9099036274271 | etot = -29.9006357020151 +559000 ekin = 4.85842132468142 | erot = 4.45569884582891 | epot = -39.1571701897086 | etot = -29.8430500191982 +560000 ekin = 4.84667483493845 | erot = 4.2909749826348 | epot = -39.3692871188963 | etot = -30.2316373013231 +561000 ekin = 4.93080663772518 | erot = 4.40964672372494 | epot = -39.5560309503474 | etot = -30.2155775888973 +562000 ekin = 5.02786763240476 | erot = 4.09895267825206 | epot = -39.6620959555469 | etot = -30.53527564489 +563000 ekin = 4.99483060861833 | erot = 4.56393029644419 | epot = -39.7001867829014 | etot = -30.1414258778389 +564000 ekin = 5.01292656089539 | erot = 4.46559434127762 | epot = -39.6969046345991 | etot = -30.2183837324261 +565000 ekin = 4.97924499589812 | erot = 4.5676410286713 | epot = -39.6391307119518 | etot = -30.0922446873824 +566000 ekin = 4.80472039327365 | erot = 4.49618530358125 | epot = -39.5320142538579 | etot = -30.231108557003 +567000 ekin = 4.59721417192406 | erot = 4.44898156673779 | epot = -39.3835091139998 | etot = -30.337313375338 +568000 ekin = 4.59948947791999 | erot = 4.21619266891997 | epot = -39.1697350851652 | etot = -30.3540529383253 +569000 ekin = 4.46814520025957 | erot = 4.13625120915532 | epot = -38.9496016480665 | etot = -30.3452052386516 +570000 ekin = 4.6338057410939 | erot = 3.97471689520409 | epot = -38.718728428018 | etot = -30.11020579172 +571000 ekin = 4.51646555902291 | erot = 3.77943581302538 | epot = -38.5103017941539 | etot = -30.2144004221056 +572000 ekin = 4.44329973394615 | erot = 3.73818983971042 | epot = -38.3513010282128 | etot = -30.1698114545562 +573000 ekin = 4.48138796166313 | erot = 3.67030746094229 | epot = -38.2531080005807 | etot = -30.1014125779753 +574000 ekin = 4.57372019352182 | erot = 3.64740839838085 | epot = -38.1563476897671 | etot = -29.9352190978644 +575000 ekin = 4.81962720354443 | erot = 3.58128135189792 | epot = -38.0780197446128 | etot = -29.6771111891705 +576000 ekin = 4.78739960955902 | erot = 3.1694164956898 | epot = -38.0548669136926 | etot = -30.0980508084438 +577000 ekin = 4.89624137933457 | erot = 3.37301453509222 | epot = -38.0581159208701 | etot = -29.7888600064433 +578000 ekin = 4.89993171052275 | erot = 3.39468878464195 | epot = -38.0636938795356 | etot = -29.7690733843709 +579000 ekin = 4.83297661461382 | erot = 3.08572772864728 | epot = -38.0577731810635 | etot = -30.1390688378024 +580000 ekin = 4.77298411404112 | erot = 3.09603380464131 | epot = -38.0675771405195 | etot = -30.198559221837 +581000 ekin = 4.96965435170546 | erot = 3.06610493080439 | epot = -38.0894896837322 | etot = -30.0537304012223 +582000 ekin = 4.84477580774073 | erot = 2.9927320347077 | epot = -38.1047755328767 | etot = -30.2672676904283 +583000 ekin = 4.80184612340932 | erot = 2.99121545039786 | epot = -38.0992283827672 | etot = -30.30616680896 +584000 ekin = 4.73999729115049 | erot = 2.95820256140574 | epot = -38.1193022601922 | etot = -30.421102407636 +585000 ekin = 4.62963491646152 | erot = 2.99096158598537 | epot = -38.1514766562945 | etot = -30.5308801538476 +586000 ekin = 4.66196804986673 | erot = 3.11428540249498 | epot = -38.1645218154685 | etot = -30.3882683631068 +587000 ekin = 4.58446438916328 | erot = 3.26198289890953 | epot = -38.1451310277745 | etot = -30.2986837397017 +588000 ekin = 4.59050554157104 | erot = 3.3726754228907 | epot = -38.0928945920965 | etot = -30.1297136276347 +589000 ekin = 4.52148456601111 | erot = 3.20426810396365 | epot = -38.0431145518048 | etot = -30.31736188183 +590000 ekin = 4.54292012494668 | erot = 3.17466615888884 | epot = -37.9867331121616 | etot = -30.2691468283261 +591000 ekin = 4.4671534284139 | erot = 3.30654504351686 | epot = -37.9702893954324 | etot = -30.1965909235016 +592000 ekin = 4.47491098921977 | erot = 3.6999642514398 | epot = -37.9696400527198 | etot = -29.7947648120603 +593000 ekin = 4.43506697623667 | erot = 3.70250326611386 | epot = -37.982672172325 | etot = -29.8451019299745 +594000 ekin = 4.36908136306914 | erot = 3.59308231950695 | epot = -38.0038521048194 | etot = -30.0416884222434 +595000 ekin = 4.30615021787055 | erot = 3.60547435881493 | epot = -38.0517692624258 | etot = -30.1401446857403 +596000 ekin = 4.27538703974133 | erot = 3.70718417029047 | epot = -38.1072020006232 | etot = -30.1246307905914 +597000 ekin = 4.09427835861052 | erot = 3.56040857145023 | epot = -38.1368054718235 | etot = -30.4821185417627 +598000 ekin = 4.06772969179112 | erot = 3.98852753231066 | epot = -38.1357675039157 | etot = -30.0795102798139 +599000 ekin = 4.05823661502987 | erot = 3.99204411848289 | epot = -38.094416622612 | etot = -30.0441358890992 +600000 ekin = 4.14000207696597 | erot = 3.69886036268669 | epot = -38.0126500071595 | etot = -30.1737875675069 +601000 ekin = 4.14331251606211 | erot = 4.02012885446817 | epot = -37.8931408419344 | etot = -29.7296994714041 +602000 ekin = 4.19175322865712 | erot = 3.63789752518651 | epot = -37.776838230476 | etot = -29.9471874766323 +603000 ekin = 4.17700109074307 | erot = 3.33190102346871 | epot = -37.6571796612341 | etot = -30.1482775470223 +604000 ekin = 4.32110078335233 | erot = 3.37359972635292 | epot = -37.5481087406156 | etot = -29.8534082309104 +605000 ekin = 4.40829637956691 | erot = 3.12232098209617 | epot = -37.4615593717342 | etot = -29.9309420100711 +606000 ekin = 4.50978571460466 | erot = 2.82903034171751 | epot = -37.4107566252708 | etot = -30.0719405689486 +607000 ekin = 4.64775510562427 | erot = 2.72855004395386 | epot = -37.3886864614938 | etot = -30.0123813119157 +608000 ekin = 4.62515883775198 | erot = 2.69276686565725 | epot = -37.3472679127841 | etot = -30.0293422093749 +609000 ekin = 4.58072072733855 | erot = 2.72618151323734 | epot = -37.321155518993 | etot = -30.0142532784171 +610000 ekin = 4.37064710749545 | erot = 2.94205446769438 | epot = -37.3313655411415 | etot = -30.0186639659516 +611000 ekin = 4.30243700562366 | erot = 2.94482669781544 | epot = -37.3282578261779 | etot = -30.0809941227388 +612000 ekin = 4.37982748485343 | erot = 2.81236690797516 | epot = -37.3366791579241 | etot = -30.1444847650955 +613000 ekin = 4.49298433908216 | erot = 2.9422949922611 | epot = -37.3617837170398 | etot = -29.9265043856965 +614000 ekin = 4.63192250195893 | erot = 2.81948937077719 | epot = -37.3623397651558 | etot = -29.9109278924196 +615000 ekin = 4.56431794922697 | erot = 3.04112038174076 | epot = -37.336047475673 | etot = -29.7306091447052 +616000 ekin = 4.48538645093142 | erot = 2.9863679461823 | epot = -37.2843360454655 | etot = -29.8125816483518 +617000 ekin = 4.35777724185516 | erot = 3.27046740448593 | epot = -37.2149609045279 | etot = -29.5867162581868 +618000 ekin = 4.13929013645538 | erot = 3.31436963968885 | epot = -37.1380165806135 | etot = -29.6843568044692 +619000 ekin = 3.99812604761947 | erot = 3.80697216179629 | epot = -37.0480074184855 | etot = -29.2429092090698 +620000 ekin = 3.75775297824752 | erot = 3.88935078371487 | epot = -37.0016709350122 | etot = -29.3545671730499 +621000 ekin = 3.59837254942666 | erot = 3.36974253347195 | epot = -36.957139996861 | etot = -29.9890249139623 +622000 ekin = 3.52853751549673 | erot = 3.57220920853453 | epot = -36.9826672270778 | etot = -29.8819205030465 +623000 ekin = 3.44776927445729 | erot = 3.68524482792415 | epot = -37.0520182183617 | etot = -29.9190041159803 +624000 ekin = 3.42459051153801 | erot = 4.10039189185601 | epot = -37.1561365046956 | etot = -29.6311541013016 +625000 ekin = 3.47427533928241 | erot = 4.19316198399256 | epot = -37.3128709391509 | etot = -29.6454336158759 +626000 ekin = 3.59243588690051 | erot = 4.25331544595908 | epot = -37.4538356021372 | etot = -29.6080842692777 +627000 ekin = 3.65834270574544 | erot = 3.84587709669875 | epot = -37.5560189371568 | etot = -30.0517991347126 +628000 ekin = 3.70047562334568 | erot = 3.6882110278348 | epot = -37.6346624168372 | etot = -30.2459757656567 +629000 ekin = 3.73516234913422 | erot = 3.92476956261677 | epot = -37.7008434862915 | etot = -30.0409115745406 +630000 ekin = 3.81181204861746 | erot = 3.95913149926753 | epot = -37.7335643601767 | etot = -29.9626208122917 +631000 ekin = 3.81645534702365 | erot = 3.13210702566911 | epot = -37.7706097068458 | etot = -30.822047334153 +632000 ekin = 3.83367227377576 | erot = 3.16390787891888 | epot = -37.8179976528052 | etot = -30.8204175001106 +633000 ekin = 3.78875173101125 | erot = 3.28627876080398 | epot = -37.8551980571897 | etot = -30.7801675653744 +634000 ekin = 3.64435724345663 | erot = 3.54689069849326 | epot = -37.8771184407042 | etot = -30.6858704987543 +635000 ekin = 3.74927918910687 | erot = 3.50067245026001 | epot = -37.9120332365853 | etot = -30.6620815972185 +636000 ekin = 3.89890106913056 | erot = 3.51590480850453 | epot = -37.9883703460318 | etot = -30.5735644683968 +637000 ekin = 3.98051852239104 | erot = 3.51683885701821 | epot = -38.1188954220068 | etot = -30.6215380425976 +638000 ekin = 4.1867925219674 | erot = 3.48363716100457 | epot = -38.3003898519922 | etot = -30.6299601690202 +639000 ekin = 4.29259370089831 | erot = 3.44532403016783 | epot = -38.5009165327295 | etot = -30.7629988016634 +640000 ekin = 4.33862023546758 | erot = 3.61400248687526 | epot = -38.6627935284701 | etot = -30.7101708061272 +641000 ekin = 4.47895119284624 | erot = 3.60758277909094 | epot = -38.7986251266558 | etot = -30.7120911547187 +642000 ekin = 4.48471207018763 | erot = 3.75535910837196 | epot = -38.863620414876 | etot = -30.6235492363164 +643000 ekin = 4.56445558617355 | erot = 3.81552004634157 | epot = -38.8645537025225 | etot = -30.4845780700074 +644000 ekin = 4.73329478475728 | erot = 3.55885168491639 | epot = -38.8054956282291 | etot = -30.5133491585554 +645000 ekin = 4.6912943962558 | erot = 3.28200064721723 | epot = -38.701547429741 | etot = -30.7282523862679 +646000 ekin = 4.58583002001323 | erot = 3.4085956946329 | epot = -38.5478616511678 | etot = -30.5534359365217 +647000 ekin = 4.60741071742923 | erot = 3.38831322436691 | epot = -38.3932861693425 | etot = -30.3975622275464 +648000 ekin = 4.51463144345976 | erot = 3.2427410033314 | epot = -38.2758434893353 | etot = -30.5184710425442 +649000 ekin = 4.55491099792929 | erot = 3.3173810530716 | epot = -38.2201110845429 | etot = -30.347819033542 +650000 ekin = 4.67226589728798 | erot = 3.60950811156257 | epot = -38.2202225605509 | etot = -29.9384485517004 +651000 ekin = 4.60851815831642 | erot = 3.77278937705233 | epot = -38.2536330995444 | etot = -29.8723255641757 +652000 ekin = 4.678459200191 | erot = 3.3937624009624 | epot = -38.2868824175937 | etot = -30.2146608164403 +653000 ekin = 4.66844839257089 | erot = 3.83803199311166 | epot = -38.3235322989536 | etot = -29.817051913271 +654000 ekin = 4.7104895331932 | erot = 3.48299287365129 | epot = -38.3580887397253 | etot = -30.1646063328808 +655000 ekin = 4.59645355598621 | erot = 3.7478202528204 | epot = -38.4145657066933 | etot = -30.0702918978867 +656000 ekin = 4.75902771581097 | erot = 3.81874385847384 | epot = -38.4693742928374 | etot = -29.8916027185526 +657000 ekin = 4.64668020593031 | erot = 3.6665600106013 | epot = -38.4843211797294 | etot = -30.1710809631978 +658000 ekin = 4.5583600187507 | erot = 3.93329833863019 | epot = -38.4803826070965 | etot = -29.9887242497156 +659000 ekin = 4.55537392119719 | erot = 3.6285471602112 | epot = -38.4363459414659 | etot = -30.2524248600575 +660000 ekin = 4.41551333368083 | erot = 3.6539559007289 | epot = -38.3663969488346 | etot = -30.2969277144249 +661000 ekin = 4.32449081576465 | erot = 3.74090915717697 | epot = -38.2884247485437 | etot = -30.2230247756021 +662000 ekin = 4.2382312401034 | erot = 3.58833666048796 | epot = -38.1946280661735 | etot = -30.3680601655822 +663000 ekin = 4.32618520330348 | erot = 3.71369597709409 | epot = -38.0940311251124 | etot = -30.0541499447149 +664000 ekin = 4.30987713127737 | erot = 3.55193027406456 | epot = -38.0118003167729 | etot = -30.149992911431 +665000 ekin = 4.32971268964125 | erot = 3.40416985470638 | epot = -37.9630121098137 | etot = -30.229129565466 +666000 ekin = 4.30397058329232 | erot = 3.24563244836293 | epot = -37.9564459426245 | etot = -30.4068429109692 +667000 ekin = 4.23802718761159 | erot = 3.57923047722682 | epot = -37.911170999797 | etot = -30.0939133349586 +668000 ekin = 4.17750835985169 | erot = 3.42921371885257 | epot = -37.8409684237745 | etot = -30.2342463450703 +669000 ekin = 4.10123021238948 | erot = 3.38759831293412 | epot = -37.7732457913403 | etot = -30.2844172660167 +670000 ekin = 3.96563796265766 | erot = 3.59480187806753 | epot = -37.6965941156386 | etot = -30.1361542749134 +671000 ekin = 3.96406262528469 | erot = 3.64073126780246 | epot = -37.5753442355431 | etot = -29.9705503424559 +672000 ekin = 4.04265318678508 | erot = 3.67979591145804 | epot = -37.4296504342378 | etot = -29.7072013359947 +673000 ekin = 3.99224066234871 | erot = 3.52190422085278 | epot = -37.3047157518844 | etot = -29.7905708686829 +674000 ekin = 3.97681715793532 | erot = 3.75368024393782 | epot = -37.1885781675148 | etot = -29.4580807656416 +675000 ekin = 3.85833621087031 | erot = 3.97050815664581 | epot = -37.1417466549724 | etot = -29.3129022874562 +676000 ekin = 3.77676206895609 | erot = 3.79811590545655 | epot = -37.1253534099231 | etot = -29.5504754355104 +677000 ekin = 3.78226586281953 | erot = 3.88942769355379 | epot = -37.1385629636271 | etot = -29.4668694072538 +678000 ekin = 3.61579087416917 | erot = 3.83629032138248 | epot = -37.1880190743623 | etot = -29.7359378788106 +679000 ekin = 3.59940694058669 | erot = 3.92320694106388 | epot = -37.2411006365046 | etot = -29.7184867548541 +680000 ekin = 3.59936088858661 | erot = 3.59198808770705 | epot = -37.3103059663064 | etot = -30.1189569900128 +681000 ekin = 3.5506817335392 | erot = 3.62032338399699 | epot = -37.397887158622 | etot = -30.2268820410859 +682000 ekin = 3.64312616149454 | erot = 3.63220095729207 | epot = -37.4824268307592 | etot = -30.2070997119726 +683000 ekin = 3.59147144886464 | erot = 4.0054088226964 | epot = -37.5784304648838 | etot = -29.9815501933228 +684000 ekin = 3.72558767154372 | erot = 4.43134049971566 | epot = -37.6663536443173 | etot = -29.5094254730579 +685000 ekin = 3.75700113340408 | erot = 4.42051791074664 | epot = -37.7011506850387 | etot = -29.523631640888 +686000 ekin = 3.68716829673499 | erot = 4.29446170846264 | epot = -37.7134415714993 | etot = -29.7318115663016 +687000 ekin = 3.64818503755748 | erot = 4.53150873331274 | epot = -37.711537143075 | etot = -29.5318433722048 +688000 ekin = 3.65898677055773 | erot = 4.19517143645001 | epot = -37.7179324142981 | etot = -29.8637742072904 +689000 ekin = 3.6205349293849 | erot = 4.90634872884686 | epot = -37.7254294906481 | etot = -29.1985458324163 +690000 ekin = 3.66313798116712 | erot = 4.56796147261006 | epot = -37.7316773182824 | etot = -29.5005778645052 +691000 ekin = 3.71240687811154 | erot = 4.32729443264317 | epot = -37.6986701891451 | etot = -29.6589688783904 +692000 ekin = 3.77937222983674 | erot = 4.25209713638378 | epot = -37.6463069321166 | etot = -29.6148375658961 +693000 ekin = 3.82528389687013 | erot = 4.44391854020428 | epot = -37.5813521083399 | etot = -29.3121496712654 +694000 ekin = 3.77132757417731 | erot = 4.30342910423497 | epot = -37.5292531497342 | etot = -29.454496471322 +695000 ekin = 3.87816824099586 | erot = 3.61664690986648 | epot = -37.4977174174724 | etot = -30.0029022666101 +696000 ekin = 4.03561630547957 | erot = 3.14881777436793 | epot = -37.5165237009968 | etot = -30.3320896211493 +697000 ekin = 4.10221303088947 | erot = 2.74688055821586 | epot = -37.6237315563435 | etot = -30.7746379672381 +698000 ekin = 4.33198843808379 | erot = 2.54448976763408 | epot = -37.8109238872746 | etot = -30.9344456815567 +699000 ekin = 4.45835519306674 | erot = 2.8372756281226 | epot = -38.0765099491828 | etot = -30.7808791279934 +700000 ekin = 4.62566765847138 | erot = 3.20413023616686 | epot = -38.3666686805772 | etot = -30.536870785939 +701000 ekin = 4.71198958041981 | erot = 3.20500762759515 | epot = -38.6531148244764 | etot = -30.7361176164614 +702000 ekin = 4.70320353975512 | erot = 3.49669921722509 | epot = -38.9020142648734 | etot = -30.7021115078932 +703000 ekin = 4.7166659217622 | erot = 3.43605875792423 | epot = -39.0983570180767 | etot = -30.9456323383903 +704000 ekin = 4.81119997223625 | erot = 3.68842954975253 | epot = -39.2326154199855 | etot = -30.7329858979967 +705000 ekin = 4.76635995985854 | erot = 4.27225880905604 | epot = -39.304583019354 | etot = -30.2659642504394 +706000 ekin = 4.6123968900786 | erot = 4.45743851438174 | epot = -39.3303553159895 | etot = -30.2605199115291 +707000 ekin = 4.43392403924413 | erot = 5.00090751066076 | epot = -39.3012148785927 | etot = -29.8663833286878 +708000 ekin = 4.493639803788 | erot = 4.44827137132337 | epot = -39.1855945086319 | etot = -30.2436833335206 +709000 ekin = 4.38087413515987 | erot = 4.33993340713996 | epot = -39.0225667156706 | etot = -30.3017591733707 +710000 ekin = 4.30084034805674 | erot = 4.18416076229495 | epot = -38.8018325665079 | etot = -30.3168314561562 +711000 ekin = 4.16061239283914 | erot = 3.7596460771024 | epot = -38.6119256895403 | etot = -30.6916672195988 +712000 ekin = 4.02785073941548 | erot = 3.91873808556251 | epot = -38.5032151267495 | etot = -30.5566263017715 +713000 ekin = 3.91042694307498 | erot = 4.02474708082426 | epot = -38.4555203424355 | etot = -30.5203463185362 +714000 ekin = 3.91972154955257 | erot = 3.86911398530038 | epot = -38.4391911139339 | etot = -30.650355579081 +715000 ekin = 3.79432885182375 | erot = 3.97493955426887 | epot = -38.4648934882979 | etot = -30.6956250822053 +716000 ekin = 3.81379173421808 | erot = 4.12773796628716 | epot = -38.5344978321895 | etot = -30.5929681316842 +717000 ekin = 3.81338083287853 | erot = 3.91040514076917 | epot = -38.6119475932714 | etot = -30.8881616196237 +718000 ekin = 3.98031853847202 | erot = 3.63481705596704 | epot = -38.678649410417 | etot = -31.0635138159779 +719000 ekin = 3.85667554069524 | erot = 3.54568346865617 | epot = -38.7335222105702 | etot = -31.3311632012187 +720000 ekin = 3.82130999837899 | erot = 3.12899985812958 | epot = -38.800048179352 | etot = -31.8497383228434 +721000 ekin = 3.84625676410583 | erot = 3.33090070721994 | epot = -38.8362758074818 | etot = -31.659118336156 +722000 ekin = 3.79224716661396 | erot = 3.20659617994807 | epot = -38.8301147634646 | etot = -31.8312714169026 +723000 ekin = 3.89270036914644 | erot = 3.09341373486916 | epot = -38.7612142662691 | etot = -31.7751001622535 +724000 ekin = 3.88950015267433 | erot = 3.37593260372111 | epot = -38.6472208331853 | etot = -31.3817880767899 +725000 ekin = 3.89253643906727 | erot = 3.3632565061082 | epot = -38.5278096836431 | etot = -31.2720167384676 +726000 ekin = 3.77207579735126 | erot = 2.95762270097697 | epot = -38.4162496849588 | etot = -31.6865511866306 +727000 ekin = 3.8589508308402 | erot = 2.69741467226751 | epot = -38.3204112624909 | etot = -31.7640457593832 +728000 ekin = 3.95735248448056 | erot = 2.91208862145619 | epot = -38.2269317498774 | etot = -31.3574906439407 +729000 ekin = 3.90116579496193 | erot = 2.68023881807524 | epot = -38.1837112825913 | etot = -31.6023066695542 +730000 ekin = 3.96318220229622 | erot = 2.52640600275291 | epot = -38.1795006550048 | etot = -31.6899124499557 +731000 ekin = 4.07163559325289 | erot = 2.47524828245716 | epot = -38.2208467965997 | etot = -31.6739629208896 +732000 ekin = 4.12331294394785 | erot = 2.59059397612219 | epot = -38.2785246774242 | etot = -31.5646177573541 +733000 ekin = 4.18393032106836 | erot = 2.72580269413632 | epot = -38.3920370437211 | etot = -31.4823040285164 +734000 ekin = 4.22490204001118 | erot = 2.94025387724297 | epot = -38.5577268408556 | etot = -31.3925709236014 +735000 ekin = 4.41637906381283 | erot = 3.39000978300269 | epot = -38.7520895879279 | etot = -30.9457007411124 +736000 ekin = 4.52682105512923 | erot = 3.59384799521502 | epot = -39.0007836443238 | etot = -30.8801145939796 +737000 ekin = 4.54518518822972 | erot = 3.67606395235652 | epot = -39.2431861398732 | etot = -31.021936999287 +738000 ekin = 4.54111831313617 | erot = 3.87514152367601 | epot = -39.4689573474101 | etot = -31.0526975105979 +739000 ekin = 4.64515651334113 | erot = 3.86830954896661 | epot = -39.6580785017875 | etot = -31.1446124394798 +740000 ekin = 4.59721923359584 | erot = 3.83234514918706 | epot = -39.7800787241315 | etot = -31.3505143413486 +741000 ekin = 4.54920694202201 | erot = 4.22873772666781 | epot = -39.8001498706485 | etot = -31.0222052019586 +742000 ekin = 4.37775553859951 | erot = 4.07719515191216 | epot = -39.7729191936198 | etot = -31.3179685031081 +743000 ekin = 4.3556617165815 | erot = 4.19296317409613 | epot = -39.6826493457458 | etot = -31.1340244550682 +744000 ekin = 4.35520781857212 | erot = 4.03027041959878 | epot = -39.5404877687077 | etot = -31.1550095305368 +745000 ekin = 4.22626887984331 | erot = 3.36034348052808 | epot = -39.3612863690872 | etot = -31.7746740087159 +746000 ekin = 4.11995949308923 | erot = 3.27667360498748 | epot = -39.1619120183871 | etot = -31.7652789203104 +747000 ekin = 4.14400839200239 | erot = 3.30199438470026 | epot = -38.9827326721258 | etot = -31.5367298954232 +748000 ekin = 4.00468940718693 | erot = 3.14625781984354 | epot = -38.8044398216778 | etot = -31.6534925946474 +749000 ekin = 3.84115389861465 | erot = 2.95470003366609 | epot = -38.6687005011654 | etot = -31.8728465688846 +750000 ekin = 3.65410258827823 | erot = 3.15459365563754 | epot = -38.5278602215809 | etot = -31.7191639776651 +751000 ekin = 3.60281847230545 | erot = 3.24631581000339 | epot = -38.4153933025755 | etot = -31.5662590202667 +752000 ekin = 3.67731217795128 | erot = 3.63832283099251 | epot = -38.3028409880039 | etot = -30.9872059790601 +753000 ekin = 3.57605485188811 | erot = 3.26752665173291 | epot = -38.2165204041613 | etot = -31.3729389005403 +754000 ekin = 3.69078656100588 | erot = 3.07077330953217 | epot = -38.2008529421062 | etot = -31.4392930715682 +755000 ekin = 3.70168225637986 | erot = 2.97263399944788 | epot = -38.2287093031125 | etot = -31.5543930472847 +756000 ekin = 3.82302121276 | erot = 3.1782689290909 | epot = -38.310131999282 | etot = -31.3088418574311 +757000 ekin = 3.92969183976134 | erot = 3.24398381681734 | epot = -38.4229976799532 | etot = -31.2493220233745 +758000 ekin = 4.01825553851191 | erot = 2.96087889455693 | epot = -38.5603809302421 | etot = -31.5812464971732 +759000 ekin = 4.15945678292269 | erot = 3.31368855914151 | epot = -38.7240687265501 | etot = -31.2509233844859 +760000 ekin = 4.08337495041291 | erot = 3.28527114059579 | epot = -38.8845645171709 | etot = -31.5159184261622 +761000 ekin = 4.14862342701004 | erot = 3.30586771709929 | epot = -38.9896780479041 | etot = -31.5351869037947 +762000 ekin = 4.15291891523591 | erot = 3.21578962032615 | epot = -39.035237071941 | etot = -31.6665285363789 +763000 ekin = 4.13154828483801 | erot = 3.3900507889808 | epot = -39.0640564952969 | etot = -31.5424574214781 +764000 ekin = 4.11445022984107 | erot = 3.78778087021365 | epot = -39.069248399025 | etot = -31.1670172989702 +765000 ekin = 3.94937442988367 | erot = 3.99811330721222 | epot = -39.0421921917084 | etot = -31.0947044546125 +766000 ekin = 3.90772961551845 | erot = 4.0181962192846 | epot = -38.9772379154488 | etot = -31.0513120806457 +767000 ekin = 3.91865092379332 | erot = 3.66675942927299 | epot = -38.8570109636996 | etot = -31.2716006106332 +768000 ekin = 3.90455829915362 | erot = 3.57997769181348 | epot = -38.7106990781797 | etot = -31.2261630872126 +769000 ekin = 3.79614462627826 | erot = 3.72589479531031 | epot = -38.5987325117513 | etot = -31.0766930901627 +770000 ekin = 3.84943042371488 | erot = 3.41445940258812 | epot = -38.524203140241 | etot = -31.260313313938 +771000 ekin = 3.93726861106201 | erot = 3.22573743650855 | epot = -38.4470290210344 | etot = -31.2840229734638 +772000 ekin = 3.96999789478599 | erot = 3.15006319998264 | epot = -38.4433830504296 | etot = -31.3233219556609 +773000 ekin = 3.90264203603893 | erot = 3.08286085672441 | epot = -38.4596433115508 | etot = -31.4741404187875 +774000 ekin = 4.05136357587227 | erot = 3.17001936426344 | epot = -38.5137422973683 | etot = -31.2923593572326 +775000 ekin = 4.11418642080987 | erot = 3.81754399179953 | epot = -38.5927804349062 | etot = -30.6610500222968 +776000 ekin = 4.11481050991315 | erot = 3.55328099460652 | epot = -38.6754580889833 | etot = -31.0073665844636 +777000 ekin = 4.23423405077881 | erot = 3.58108270552595 | epot = -38.76169441768 | etot = -30.9463776613752 +778000 ekin = 4.22244262963946 | erot = 3.64411855451438 | epot = -38.842032142942 | etot = -30.9754709587882 +779000 ekin = 4.20492205038613 | erot = 3.89270804286644 | epot = -38.9009656289588 | etot = -30.8033355357062 +780000 ekin = 4.19457435208234 | erot = 3.98994130977106 | epot = -38.9050369874364 | etot = -30.720521325583 +781000 ekin = 4.33837315790505 | erot = 3.45852422770954 | epot = -38.858660577552 | etot = -31.0617631919374 +782000 ekin = 4.36357496915283 | erot = 3.10010011432268 | epot = -38.7868584055569 | etot = -31.3231833220814 +783000 ekin = 4.42162598039069 | erot = 3.42028138737023 | epot = -38.7233668668895 | etot = -30.8814594991286 +784000 ekin = 4.52915280589068 | erot = 3.46746509226016 | epot = -38.6388342149203 | etot = -30.6422163167695 +785000 ekin = 4.5515940213827 | erot = 3.36141401661281 | epot = -38.5160993571772 | etot = -30.6030913191817 +786000 ekin = 4.4107707826179 | erot = 3.55728141641263 | epot = -38.3921286555455 | etot = -30.424076456515 +787000 ekin = 4.5473982866512 | erot = 3.81681111076943 | epot = -38.2843232861691 | etot = -29.9201138887484 +788000 ekin = 4.51350891647158 | erot = 3.90594890385667 | epot = -38.2029645190101 | etot = -29.7835066986818 +789000 ekin = 4.41183434492804 | erot = 4.01545730842702 | epot = -38.1545360413066 | etot = -29.7272443879516 +790000 ekin = 4.36219296798482 | erot = 4.38022337925401 | epot = -38.1642768248248 | etot = -29.421860477586 +791000 ekin = 4.36856935453186 | erot = 4.10044084346348 | epot = -38.2219055606099 | etot = -29.7528953626145 +792000 ekin = 4.15750522427241 | erot = 4.31220830506829 | epot = -38.3006248567473 | etot = -29.8309113274066 +793000 ekin = 4.04895474142992 | erot = 4.47406069249712 | epot = -38.4166817679429 | etot = -29.8936663340158 +794000 ekin = 4.06782077729031 | erot = 4.54237615913424 | epot = -38.5497403981529 | etot = -29.9395434617283 +795000 ekin = 4.13325369560983 | erot = 4.6766430853343 | epot = -38.7140310649859 | etot = -29.9041342840418 +796000 ekin = 4.24810673699357 | erot = 4.55090018691371 | epot = -38.8628377912581 | etot = -30.0638308673508 +797000 ekin = 4.47820483480053 | erot = 4.37105820701948 | epot = -39.0073103741372 | etot = -30.1580473323172 +798000 ekin = 4.41687882033665 | erot = 4.0319284480101 | epot = -39.1717655165835 | etot = -30.7229582482367 +799000 ekin = 4.51272621151664 | erot = 3.80275615695394 | epot = -39.3264210367218 | etot = -31.0109386682512 +800000 ekin = 4.55406747539997 | erot = 3.86603589563191 | epot = -39.455092115688 | etot = -31.0349887446561 +801000 ekin = 4.71425753043942 | erot = 4.19401636489441 | epot = -39.5455068512898 | etot = -30.637232955956 +802000 ekin = 4.73096724901056 | erot = 4.66018334519229 | epot = -39.597292270086 | etot = -30.2061416758832 +803000 ekin = 4.62379738113321 | erot = 4.84687313016545 | epot = -39.6033097238909 | etot = -30.1326392125923 +804000 ekin = 4.73211781117979 | erot = 4.65405100631752 | epot = -39.5980929919841 | etot = -30.2119241744868 +805000 ekin = 4.74990370273786 | erot = 5.03061291222775 | epot = -39.569498865532 | etot = -29.7889822505664 +806000 ekin = 4.71376969100994 | erot = 4.52737209746845 | epot = -39.5309941756428 | etot = -30.2898523871644 +807000 ekin = 4.86079475139447 | erot = 4.60056901312774 | epot = -39.4997078348834 | etot = -30.0383440703612 +808000 ekin = 4.80209833525365 | erot = 4.45818548395654 | epot = -39.4704788837951 | etot = -30.2101950645849 +809000 ekin = 4.6377001128784 | erot = 4.50410245159993 | epot = -39.4133092695815 | etot = -30.2715067051032 +810000 ekin = 4.58845623547692 | erot = 4.59839740206889 | epot = -39.3630399165046 | etot = -30.1761862789588 +811000 ekin = 4.49885529137753 | erot = 3.98878012931503 | epot = -39.2630135095319 | etot = -30.7753780888393 +812000 ekin = 4.26896362698783 | erot = 3.78568800845445 | epot = -39.1138584925267 | etot = -31.0592068570844 +813000 ekin = 4.13473287838133 | erot = 3.6709761560088 | epot = -38.9684769118808 | etot = -31.1627678774907 +814000 ekin = 3.94776533151714 | erot = 3.9457998277719 | epot = -38.8393181931019 | etot = -30.9457530338129 +815000 ekin = 3.90824876714862 | erot = 4.04132924638677 | epot = -38.7551601823022 | etot = -30.8055821687668 +816000 ekin = 3.78701127768462 | erot = 3.90301930977968 | epot = -38.6978803550943 | etot = -31.00784976763 +817000 ekin = 3.66292511898636 | erot = 3.94682412287945 | epot = -38.6270985077425 | etot = -31.0173492658767 +818000 ekin = 3.57247131276281 | erot = 4.1784329766224 | epot = -38.5581000447571 | etot = -30.8071957553719 +819000 ekin = 3.53877880324498 | erot = 4.11647252852254 | epot = -38.4709987313688 | etot = -30.8157473996013 +820000 ekin = 3.50671598439864 | erot = 4.25631799360866 | epot = -38.3521077332953 | etot = -30.589073755288 +821000 ekin = 3.53103431342861 | erot = 3.63219688182926 | epot = -38.2011634572152 | etot = -31.0379322619573 +822000 ekin = 3.51951391759931 | erot = 3.61259288561798 | epot = -38.0560993175178 | etot = -30.9239925143005 +823000 ekin = 3.57671320020554 | erot = 3.17979253207743 | epot = -37.8872361758755 | etot = -31.1307304435925 +824000 ekin = 3.52000952110921 | erot = 3.12347116703116 | epot = -37.7532307820921 | etot = -31.1097500939517 +825000 ekin = 3.58955759313305 | erot = 3.15061432333252 | epot = -37.6359982536732 | etot = -30.8958263372076 +826000 ekin = 3.67361585241115 | erot = 3.02327306668993 | epot = -37.5692124634555 | etot = -30.8723235443545 +827000 ekin = 3.81109350736604 | erot = 2.85212407416508 | epot = -37.5611625241685 | etot = -30.8979449426374 +828000 ekin = 3.90531542763306 | erot = 2.81227386436724 | epot = -37.5694328663444 | etot = -30.8518435743441 +829000 ekin = 3.84587100054128 | erot = 2.81493449341339 | epot = -37.6070676030481 | etot = -30.9462621090934 +830000 ekin = 3.92673136944209 | erot = 3.15236191191157 | epot = -37.65374691576 | etot = -30.5746536344063 +831000 ekin = 3.93921284330491 | erot = 3.06450076609943 | epot = -37.726173164998 | etot = -30.7224595555937 +832000 ekin = 3.97197612374618 | erot = 3.05649894745004 | epot = -37.8221989970108 | etot = -30.7937239258146 +833000 ekin = 3.93725030890245 | erot = 3.02665836452891 | epot = -37.937171835506 | etot = -30.9732631620746 +834000 ekin = 3.98146697711148 | erot = 3.02136079279377 | epot = -38.0629385880238 | etot = -31.0601108181185 +835000 ekin = 4.05052897985953 | erot = 3.17273406713208 | epot = -38.1835463837721 | etot = -30.9602833367805 +836000 ekin = 4.19040397553796 | erot = 3.26946027032974 | epot = -38.300933644763 | etot = -30.8410693988953 +837000 ekin = 4.23633886579806 | erot = 3.17722972050019 | epot = -38.3895940577245 | etot = -30.9760254714263 +838000 ekin = 4.29790040722482 | erot = 3.15450479842838 | epot = -38.4727069904853 | etot = -31.0203017848321 +839000 ekin = 4.182732050379 | erot = 3.33215565017002 | epot = -38.5543306618494 | etot = -31.0394429613004 +840000 ekin = 4.10684077367696 | erot = 3.38230089969601 | epot = -38.6241675017603 | etot = -31.1350258283873 +841000 ekin = 4.23749853699722 | erot = 4.07451157411683 | epot = -38.6954306161322 | etot = -30.3834205050181 +842000 ekin = 4.2153670799426 | erot = 4.23835126074053 | epot = -38.7619078222528 | etot = -30.3081894815696 +843000 ekin = 4.22215504966699 | erot = 4.35771502414021 | epot = -38.8129398935362 | etot = -30.233069819729 +844000 ekin = 4.30121627933573 | erot = 4.37450016715701 | epot = -38.8385476120776 | etot = -30.1628311655849 +845000 ekin = 4.21550077214609 | erot = 4.14378307005649 | epot = -38.8237568245827 | etot = -30.4644729823801 +846000 ekin = 4.02238016824686 | erot = 4.51654867802952 | epot = -38.7905889780241 | etot = -30.2516601317477 +847000 ekin = 4.01810256512937 | erot = 4.26125017170745 | epot = -38.733957558752 | etot = -30.4546048219152 +848000 ekin = 3.96232133970732 | erot = 4.11983424179405 | epot = -38.6313622633386 | etot = -30.5492066818373 +849000 ekin = 3.80836560854392 | erot = 4.28564223418274 | epot = -38.4895963152699 | etot = -30.3955884725433 +850000 ekin = 3.69578896780274 | erot = 4.39587758868528 | epot = -38.3525607889922 | etot = -30.2608942325042 +851000 ekin = 3.41959969074421 | erot = 4.26064520104062 | epot = -38.1456854690894 | etot = -30.4654405773046 +852000 ekin = 3.30829887930776 | erot = 3.71835542085465 | epot = -37.9409715149428 | etot = -30.9143172147804 +853000 ekin = 3.35508979255713 | erot = 3.37030184945621 | epot = -37.7900455534541 | etot = -31.0646539114407 +854000 ekin = 3.27022944339449 | erot = 3.34212111159852 | epot = -37.7131840806896 | etot = -31.1008335256966 +855000 ekin = 3.19861227193943 | erot = 3.88856216577093 | epot = -37.6928018165187 | etot = -30.6056273788083 +856000 ekin = 3.06768638261934 | erot = 3.98298011021487 | epot = -37.727010473156 | etot = -30.6763439803218 +857000 ekin = 3.02849458271124 | erot = 3.90128373509556 | epot = -37.7894644617561 | etot = -30.8596861439493 +858000 ekin = 3.01766394874133 | erot = 3.81481515545799 | epot = -37.864155422239 | etot = -31.0316763180397 +859000 ekin = 3.04279727315576 | erot = 3.58850792531743 | epot = -37.9147104139937 | etot = -31.2834052155205 +860000 ekin = 3.12250083122182 | erot = 3.47152341944205 | epot = -37.9805991878282 | etot = -31.3865749371643 +861000 ekin = 3.08661234486262 | erot = 3.19104504877429 | epot = -38.04550487435 | etot = -31.7678474807131 +862000 ekin = 3.21284829409286 | erot = 3.29871938445959 | epot = -38.099234844044 | etot = -31.5876671654915 +863000 ekin = 3.30782920492323 | erot = 3.18791577959012 | epot = -38.1747149198294 | etot = -31.678969935316 +864000 ekin = 3.42420257195635 | erot = 2.92388402618494 | epot = -38.2365375033583 | etot = -31.888450905217 +865000 ekin = 3.34466551527704 | erot = 3.0972998859353 | epot = -38.3012083514071 | etot = -31.8592429501948 +866000 ekin = 3.36174635490684 | erot = 3.3198551234471 | epot = -38.3565233653478 | etot = -31.6749218869938 +867000 ekin = 3.42183919685502 | erot = 2.79592217571871 | epot = -38.3877893327297 | etot = -32.1700279601559 +868000 ekin = 3.36274087144656 | erot = 2.53957841641322 | epot = -38.4029375195831 | etot = -32.5006182317234 +869000 ekin = 3.40964507660634 | erot = 2.56691032353942 | epot = -38.3607072506902 | etot = -32.3841518505445 +870000 ekin = 3.53716918539254 | erot = 2.78671187381873 | epot = -38.3296120297666 | etot = -32.0057309705553 +871000 ekin = 3.59594316640842 | erot = 2.64188707611872 | epot = -38.2798157408163 | etot = -32.0419854982892 +872000 ekin = 3.50734679867101 | erot = 2.53533702817691 | epot = -38.2086073023317 | etot = -32.1659234754837 +873000 ekin = 3.49167258379229 | erot = 2.78144827221661 | epot = -38.1271407877645 | etot = -31.8540199317556 +874000 ekin = 3.51303146719815 | erot = 2.71312702979824 | epot = -38.0371921369838 | etot = -31.8110336399874 +875000 ekin = 3.48945347772523 | erot = 2.94850163157185 | epot = -37.9788388329103 | etot = -31.5408837236132 +876000 ekin = 3.56075870692743 | erot = 3.00511197452205 | epot = -37.9138095080298 | etot = -31.3479388265803 +877000 ekin = 3.47758786865167 | erot = 3.16390846334178 | epot = -37.8677942057126 | etot = -31.2262978737192 +878000 ekin = 3.30311825505467 | erot = 3.03452838302444 | epot = -37.8643582436496 | etot = -31.5267116055705 +879000 ekin = 3.24374156245722 | erot = 3.40785973601232 | epot = -37.8934655456588 | etot = -31.2418642471892 +880000 ekin = 3.37573093292725 | erot = 3.29280897525375 | epot = -37.94427513544 | etot = -31.275735227259 +881000 ekin = 3.39840544569004 | erot = 3.55852812717334 | epot = -38.000888118187 | etot = -31.0439545453236 +882000 ekin = 3.5896767073527 | erot = 3.35995074975521 | epot = -38.026551897189 | etot = -31.0769244400811 +883000 ekin = 3.50982611331082 | erot = 2.96694324238039 | epot = -38.0094926569537 | etot = -31.5327233012624 +884000 ekin = 3.40446481074992 | erot = 3.29501620823905 | epot = -37.9974315131722 | etot = -31.2979504941832 +885000 ekin = 3.35965929451973 | erot = 3.11716654513077 | epot = -38.0104898466533 | etot = -31.5336640070028 +886000 ekin = 3.43988208795668 | erot = 3.03035945423276 | epot = -38.069363334615 | etot = -31.5991217924255 +887000 ekin = 3.45628684947244 | erot = 3.13318789403753 | epot = -38.167703435161 | etot = -31.5782286916511 +888000 ekin = 3.56219309594448 | erot = 3.51843891461388 | epot = -38.2809194479115 | etot = -31.2002874373531 +889000 ekin = 3.66415644518205 | erot = 4.27546474777864 | epot = -38.4171028829355 | etot = -30.4774816899748 +890000 ekin = 3.59199164776004 | erot = 4.54716655442247 | epot = -38.5531146541753 | etot = -30.4139564519928 +891000 ekin = 3.4869835078992 | erot = 4.75701182525676 | epot = -38.6580895919222 | etot = -30.4140942587662 +892000 ekin = 3.51562855757933 | erot = 4.92508483334413 | epot = -38.7362622656568 | etot = -30.2955488747333 +893000 ekin = 3.4766111333881 | erot = 5.21569244219365 | epot = -38.7939526432623 | etot = -30.1016490676805 +894000 ekin = 3.33377890272863 | erot = 5.32415823975928 | epot = -38.7809839614906 | etot = -30.1230468190027 +895000 ekin = 3.43478318369578 | erot = 5.410051543616 | epot = -38.7354883491905 | etot = -29.8906536218787 +896000 ekin = 3.35681124753231 | erot = 5.27612600451789 | epot = -38.644144773384 | etot = -30.0112075213338 +897000 ekin = 3.28668538949675 | erot = 5.17803324766013 | epot = -38.5248966927272 | etot = -30.0601780555704 +898000 ekin = 3.28286469703029 | erot = 5.13874374768494 | epot = -38.3749221439187 | etot = -29.9533136992034 +899000 ekin = 3.28106900834711 | erot = 5.02377463132162 | epot = -38.2159550339518 | etot = -29.9111113942831 +900000 ekin = 3.23754877589606 | erot = 4.74128859066625 | epot = -38.0678968923381 | etot = -30.0890595257758 +901000 ekin = 3.13978298302555 | erot = 4.3243129242664 | epot = -37.9137652588163 | etot = -30.4496693515243 +902000 ekin = 3.14110495369385 | erot = 3.63711917032573 | epot = -37.7967183247472 | etot = -31.0184942007276 +903000 ekin = 3.11835106948976 | erot = 3.5835838401184 | epot = -37.7069569192995 | etot = -31.0050220096914 +904000 ekin = 3.07376219479296 | erot = 3.52931006844825 | epot = -37.6597467606241 | etot = -31.0566744973829 +905000 ekin = 3.06812362454372 | erot = 3.78913234205767 | epot = -37.6633180135037 | etot = -30.8060620469023 +906000 ekin = 3.16118254583043 | erot = 3.68210315785564 | epot = -37.7114125889238 | etot = -30.8681268852377 +907000 ekin = 3.05937736690025 | erot = 3.63166351278032 | epot = -37.8094278488435 | etot = -31.118386969163 +908000 ekin = 3.20197665753494 | erot = 3.6441133335068 | epot = -37.8953945586471 | etot = -31.0493045676053 +909000 ekin = 3.13419888287822 | erot = 3.44894287146547 | epot = -37.9553359165693 | etot = -31.3721941622256 +910000 ekin = 3.2011454656304 | erot = 3.42446813676882 | epot = -38.024917947609 | etot = -31.3993043452098 +911000 ekin = 3.183320242491 | erot = 3.30496399638698 | epot = -38.1090485606002 | etot = -31.6207643217223 +912000 ekin = 3.26276595850364 | erot = 3.24471741353574 | epot = -38.2096715613882 | etot = -31.7021881893489 +913000 ekin = 3.2681561913827 | erot = 3.26266624315759 | epot = -38.3821519588598 | etot = -31.8513295243196 +914000 ekin = 3.35412635067755 | erot = 3.33562334375845 | epot = -38.6092123987847 | etot = -31.9194627043487 +915000 ekin = 3.50776663391062 | erot = 3.6091033663435 | epot = -38.8009254120376 | etot = -31.6840554117835 +916000 ekin = 3.5277313901091 | erot = 3.46745309412736 | epot = -38.9707688836112 | etot = -31.9755843993747 +917000 ekin = 3.59076210165264 | erot = 3.41178573512987 | epot = -39.0925719913734 | etot = -32.0900241545909 +918000 ekin = 3.70456853537637 | erot = 3.18226166796491 | epot = -39.1781408185665 | etot = -32.2913106152253 +919000 ekin = 3.78037780426176 | erot = 3.08638967761944 | epot = -39.2569196438486 | etot = -32.3901521619674 +920000 ekin = 3.91060781137684 | erot = 3.28711158692157 | epot = -39.3298863351688 | etot = -32.1321669368704 +921000 ekin = 3.94747979949424 | erot = 3.45337772058887 | epot = -39.3932618134522 | etot = -31.9924042933691 +922000 ekin = 3.94814734356941 | erot = 3.67117615571532 | epot = -39.4429346449514 | etot = -31.8236111456667 +923000 ekin = 3.96148195878582 | erot = 4.16418425189001 | epot = -39.4697891977426 | etot = -31.3441229870668 +924000 ekin = 3.93156231463912 | erot = 4.23364521862771 | epot = -39.4747062603535 | etot = -31.3094987270866 +925000 ekin = 3.98364691406504 | erot = 4.37102519058181 | epot = -39.4559543119553 | etot = -31.1012822073085 +926000 ekin = 3.90165834847865 | erot = 4.5398391765023 | epot = -39.3838686479861 | etot = -30.9423711230052 +927000 ekin = 3.86159556963851 | erot = 4.93409467569006 | epot = -39.3009822835311 | etot = -30.5052920382026 +928000 ekin = 3.88113409255608 | erot = 4.54344659797514 | epot = -39.2237313850886 | etot = -30.7991506945573 +929000 ekin = 3.73601262143371 | erot = 4.54159517313964 | epot = -39.0907845737875 | etot = -30.8131767792141 +930000 ekin = 3.62890283946098 | erot = 4.23223960576937 | epot = -38.9310668930158 | etot = -31.0699244477855 +931000 ekin = 3.51130978751904 | erot = 3.75580234575059 | epot = -38.7496742883208 | etot = -31.4825621550511 +932000 ekin = 3.4360478582467 | erot = 3.85916877458119 | epot = -38.6047820584061 | etot = -31.3095654255782 +933000 ekin = 3.34945134482918 | erot = 4.10711762351073 | epot = -38.510851150919 | etot = -31.0542821825791 +934000 ekin = 3.25407370525901 | erot = 4.02198516513931 | epot = -38.4343657155247 | etot = -31.1583068451264 +935000 ekin = 3.15706754617272 | erot = 3.94213624960972 | epot = -38.3842418910869 | etot = -31.2850380953045 +936000 ekin = 3.00555649828127 | erot = 4.41385590541793 | epot = -38.3669049397814 | etot = -30.9474925360822 +937000 ekin = 2.92065396617262 | erot = 4.74523400801332 | epot = -38.3453538388338 | etot = -30.6794658646479 +938000 ekin = 2.97141948473043 | erot = 4.76974809222722 | epot = -38.3344331957966 | etot = -30.5932656188389 +939000 ekin = 2.94512706992696 | erot = 4.54496818954274 | epot = -38.3244620131108 | etot = -30.8343667536411 +940000 ekin = 2.88288211336379 | erot = 4.33037795313988 | epot = -38.32262444066 | etot = -31.1093643741563 +941000 ekin = 3.0729894973384 | erot = 4.38312166999032 | epot = -38.3472582821346 | etot = -30.8911471148058 +942000 ekin = 3.09399973822793 | erot = 4.23262521183818 | epot = -38.3627707290367 | etot = -31.0361457789706 +943000 ekin = 3.0692834807418 | erot = 4.29810120769341 | epot = -38.3654861580836 | etot = -30.9981014696484 +944000 ekin = 3.05361136554782 | erot = 4.57752136432056 | epot = -38.3891229370226 | etot = -30.7579902071542 +945000 ekin = 3.1053295273393 | erot = 4.63116672909507 | epot = -38.4481824906831 | etot = -30.7116862342487 +946000 ekin = 3.22536073155692 | erot = 4.9775607801974 | epot = -38.5304457687251 | etot = -30.3275242569708 +947000 ekin = 3.22481791886501 | erot = 4.85505897631116 | epot = -38.6306947506549 | etot = -30.5508178554787 +948000 ekin = 3.31258286730489 | erot = 4.40885070504324 | epot = -38.7111926164561 | etot = -30.9897590441079 +949000 ekin = 3.2634175064554 | erot = 4.5080556255622 | epot = -38.7582101439127 | etot = -30.9867370118951 +950000 ekin = 3.38312193033095 | erot = 4.30600402576254 | epot = -38.7909813747404 | etot = -31.1018554186469 +951000 ekin = 3.4587828832488 | erot = 3.92069079490435 | epot = -38.8089483233276 | etot = -31.4294746451744 +952000 ekin = 3.42224118561198 | erot = 3.67807790241698 | epot = -38.8172186174579 | etot = -31.7168995294289 +953000 ekin = 3.5355898130389 | erot = 3.54582501818208 | epot = -38.8376037887756 | etot = -31.7561889575546 +954000 ekin = 3.7408153679097 | erot = 3.65672942044163 | epot = -38.8501623721153 | etot = -31.452617583764 +955000 ekin = 3.71100924365654 | erot = 3.89616377536035 | epot = -38.8864415175113 | etot = -31.2792684984944 +956000 ekin = 3.60593207480462 | erot = 3.6041169004468 | epot = -38.9258365620749 | etot = -31.7157875868235 +957000 ekin = 3.49530434439509 | erot = 3.82410347711554 | epot = -38.946856110473 | etot = -31.6274482889624 +958000 ekin = 3.33025913134877 | erot = 4.09361696296967 | epot = -38.9566069953684 | etot = -31.5327309010499 +959000 ekin = 3.23258633982982 | erot = 4.27749630513793 | epot = -38.9400855462529 | etot = -31.4300029012852 +960000 ekin = 3.31834124707646 | erot = 4.19167538415381 | epot = -38.9006120641386 | etot = -31.3905954329083 +961000 ekin = 3.23354004257472 | erot = 4.33974592386021 | epot = -38.8709462828611 | etot = -31.2976603164261 +962000 ekin = 3.27687420354416 | erot = 4.18251799625536 | epot = -38.8399997192042 | etot = -31.3806075194046 +963000 ekin = 3.18724078299293 | erot = 4.29559449615361 | epot = -38.8215635568147 | etot = -31.3387282776681 +964000 ekin = 3.16628639784342 | erot = 4.17929146419561 | epot = -38.8033314242491 | etot = -31.45775356221 +965000 ekin = 3.23601563824522 | erot = 4.51599223822397 | epot = -38.7801591620089 | etot = -31.0281512855397 +966000 ekin = 3.35348380272848 | erot = 3.96490873951949 | epot = -38.7593006562391 | etot = -31.4409081139911 +967000 ekin = 3.47301428118931 | erot = 3.78771221675296 | epot = -38.7263415939787 | etot = -31.4656150960365 +968000 ekin = 3.5149340684517 | erot = 3.36657292776092 | epot = -38.7364041234236 | etot = -31.854897127211 +969000 ekin = 3.55243037222559 | erot = 3.66068265314151 | epot = -38.7529284526029 | etot = -31.5398154272358 +970000 ekin = 3.63553363347277 | erot = 3.13050605621043 | epot = -38.8016144947092 | etot = -32.035574805026 +971000 ekin = 3.62760421034422 | erot = 3.43775684259623 | epot = -38.8707637872892 | etot = -31.8054027343488 +972000 ekin = 3.66143241862992 | erot = 4.04556663388657 | epot = -38.9794799026745 | etot = -31.272480850158 +973000 ekin = 3.72465898229281 | erot = 3.97416581320678 | epot = -39.0667487302085 | etot = -31.3679239347089 +974000 ekin = 3.99953950913788 | erot = 4.13912764019187 | epot = -39.1431741069699 | etot = -31.0045069576401 +975000 ekin = 4.00465817345125 | erot = 3.9952589646089 | epot = -39.1948973492943 | etot = -31.1949802112341 +976000 ekin = 4.16803719317614 | erot = 4.27607609453617 | epot = -39.2042146461383 | etot = -30.7601013584259 +977000 ekin = 4.27763535208335 | erot = 4.35785374646763 | epot = -39.1647674598219 | etot = -30.529278361271 +978000 ekin = 4.21509832146794 | erot = 3.96978575035236 | epot = -39.0661575270878 | etot = -30.8812734552675 +979000 ekin = 4.11219939771613 | erot = 3.86340161937286 | epot = -38.9126163242263 | etot = -30.9370153071373 +980000 ekin = 4.08548639230655 | erot = 3.71918260809169 | epot = -38.74606503787 | etot = -30.9413960374717 +981000 ekin = 4.02033461236225 | erot = 3.54042819636901 | epot = -38.597187758635 | etot = -31.0364249499038 +982000 ekin = 4.05981657544056 | erot = 3.65178477672051 | epot = -38.4729888125583 | etot = -30.7613874603972 +983000 ekin = 4.15649242216475 | erot = 3.62195027480219 | epot = -38.334259961066 | etot = -30.555817264099 +984000 ekin = 4.1544594314402 | erot = 3.41256983843883 | epot = -38.1946691276125 | etot = -30.6276398577335 +985000 ekin = 3.87659901087172 | erot = 3.4376780504462 | epot = -38.0505436384557 | etot = -30.7362665771378 +986000 ekin = 3.85786856381229 | erot = 3.30334700587324 | epot = -37.8996934133203 | etot = -30.7384778436347 +987000 ekin = 3.87294863787314 | erot = 3.15398232754981 | epot = -37.7929706719646 | etot = -30.7660397065416 +988000 ekin = 3.93790531951915 | erot = 3.08701498108581 | epot = -37.6532967522443 | etot = -30.6283764516394 +989000 ekin = 3.83115351568813 | erot = 3.07802242316603 | epot = -37.5101193189107 | etot = -30.6009433800565 +990000 ekin = 3.81048959043177 | erot = 3.11196082795583 | epot = -37.3832609771669 | etot = -30.4608105587793 +991000 ekin = 3.71517412131507 | erot = 3.09240412040435 | epot = -37.2833659467139 | etot = -30.4757877049945 +992000 ekin = 3.63849701384075 | erot = 2.99887074192591 | epot = -37.1786754428025 | etot = -30.5413076870358 +993000 ekin = 3.63209056043317 | erot = 3.27649085900172 | epot = -37.0906927302529 | etot = -30.182111310818 +994000 ekin = 3.5982839069315 | erot = 3.831697772683 | epot = -37.0255816353104 | etot = -29.5955999556959 +995000 ekin = 3.75927077522078 | erot = 3.45385861701412 | epot = -36.9690811728774 | etot = -29.7559517806425 +996000 ekin = 3.7162823443017 | erot = 3.37243499359166 | epot = -36.9421300931431 | etot = -29.8534127552498 +997000 ekin = 3.60416089411934 | erot = 3.31461433836019 | epot = -36.9528108756411 | etot = -30.0340356431616 +998000 ekin = 3.71457183702544 | erot = 3.42780251384766 | epot = -37.0325234658195 | etot = -29.8901491149464 +999000 ekin = 3.78703773886257 | erot = 3.63993408891207 | epot = -37.1548091593711 | etot = -29.7278373315964 +1000000 ekin = 3.83883486112572 | erot = 3.47192929391945 | epot = -37.2430911050885 | etot = -29.9323269500433 + 1000000 0.10236893 -1.4701186 0.037692055 -1.2847791 5.0290761e-05 64000 +Loop time of 84.6254 on 1 procs for 1000000 steps with 26 atoms + +Performance: 10209.700 tau/day, 11816.783 timesteps/s +99.8% CPU use with 1 MPI tasks x no OpenMP threads + +MPI task timing breakdown: +Section | min time | avg time | max time |%varavg| %total +--------------------------------------------------------------- +Pair | 75.695 | 75.695 | 75.695 | 0.0 | 89.45 +Bond | 1.6447 | 1.6447 | 1.6447 | 0.0 | 1.94 +Neigh | 0.015217 | 0.015217 | 0.015217 | 0.0 | 0.02 +Comm | 0.36777 | 0.36777 | 0.36777 | 0.0 | 0.43 +Output | 0.23577 | 0.23577 | 0.23577 | 0.0 | 0.28 +Modify | 6.4486 | 6.4486 | 6.4486 | 0.0 | 7.62 +Other | | 0.2182 | | | 0.26 + +Nlocal: 26.0000 ave 26 max 26 min +Histogram: 1 0 0 0 0 0 0 0 0 0 +Nghost: 0.00000 ave 0 max 0 min +Histogram: 1 0 0 0 0 0 0 0 0 0 +Neighs: 301.000 ave 301 max 301 min +Histogram: 1 0 0 0 0 0 0 0 0 0 + +Total # of neighbors = 301 +Ave neighs/atom = 11.576923 +Ave special neighs/atom = 5.0769231 +Neighbor list builds = 1000 +Dangerous builds = 0 + +write_data last_config.${number}.* nocoeff +write_data last_config.8.* nocoeff +System init for write_data ... +#write_restart last_config.${number}.* +Total wall time: 0:01:24 diff --git a/examples/PACKAGES/cgdna/examples/oxDNA2/unique_bp/log.2Jul21.duplex4.8type.g++.4 b/examples/PACKAGES/cgdna/examples/oxDNA2/unique_bp/log.2Jul21.duplex4.8type.g++.4 new file mode 100644 index 0000000000..fb38875e12 --- /dev/null +++ b/examples/PACKAGES/cgdna/examples/oxDNA2/unique_bp/log.2Jul21.duplex4.8type.g++.4 @@ -0,0 +1,1272 @@ +LAMMPS (2 Jul 2021) +variable number equal 8 +variable ofreq equal 1000 +variable efreq equal 1000 + +variable ntype equal 8 + +variable T equal 0.1 +variable rhos equal 0.2 + +units lj + +dimension 3 + +newton on + +boundary p p p + +atom_style hybrid bond ellipsoid oxdna +WARNING: Atom style hybrid defines both, per-type and per-atom masses; both must be set, but only per-atom masses will be used (../atom_vec_hybrid.cpp:157) +atom_modify sort 0 1.0 + +# Pair interactions require lists of neighbours to be calculated +neighbor 2.0 bin +neigh_modify every 10 delay 0 check yes + +read_data data.duplex4.8type +Reading data file ... + orthogonal box = (-20.000000 -20.000000 -20.000000) to (20.000000 20.000000 20.000000) + 1 by 2 by 2 MPI processor grid + reading atoms ... + 26 atoms + reading velocities ... + 26 velocities + scanning bonds ... + 1 = max bonds/atom + 26 ellipsoids + reading bonds ... + 24 bonds +Finding 1-2 1-3 1-4 neighbors ... + special bond factors lj: 0 0 0 + special bond factors coul: 0 0 0 + 2 = max # of 1-2 neighbors + 2 = max # of 1-3 neighbors + 4 = max # of 1-4 neighbors + 6 = max # of special neighbors + special bonds CPU = 0.001 seconds + read_data CPU = 0.005 seconds + +mass * 3.1575 # sets per-type mass if not in data file +set atom * mass 3.1575 # sets per-atom mass +Setting atom values ... + 26 settings made for mass + +group all type 1 8 +26 atoms in group all + +# oxDNA2 bond interactions - FENE backbone +bond_style oxdna2/fene +bond_coeff * 2.0 0.25 0.7564 +special_bonds lj 0 1 1 +Finding 1-2 1-3 1-4 neighbors ... + special bond factors lj: 0 1 1 + special bond factors coul: 0 0 0 + 2 = max # of 1-2 neighbors + 2 = max # of 1-3 neighbors + 4 = max # of 1-4 neighbors + 6 = max # of special neighbors + special bonds CPU = 0.000 seconds + +# oxDNA pair interactions +pair_style hybrid/overlay oxdna2/excv oxdna2/stk oxdna2/hbond oxdna2/xstk oxdna2/coaxstk oxdna2/dh +pair_coeff * * oxdna2/excv 2.0 0.7 0.675 2.0 0.515 0.5 2.0 0.33 0.32 +pair_coeff * * oxdna2/stk seqdep ${T} 1.3523 2.6717 6.0 0.4 0.9 0.32 0.75 1.3 0 0.8 0.9 0 0.95 0.9 0 0.95 2.0 0.65 2.0 0.65 +pair_coeff * * oxdna2/stk seqdep 0.1 1.3523 2.6717 6.0 0.4 0.9 0.32 0.75 1.3 0 0.8 0.9 0 0.95 0.9 0 0.95 2.0 0.65 2.0 0.65 +pair_coeff * * oxdna2/hbond seqdep 0.0 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 + +label loop +variable base loop ${ntype} +variable base loop 8 + variable basemod equal ${base}%4 + variable basemod equal 1%4 + if "${basemod} == 1" then "variable comp equal ${base}+3" "pair_coeff ${base} ${comp} oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45" +variable comp equal ${base}+3 +variable comp equal 1+3 +pair_coeff ${base} ${comp} oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 +pair_coeff 1 ${comp} oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 +pair_coeff 1 4 oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 + if "${basemod} == 2" then "variable comp equal ${base}+1" "pair_coeff ${base} ${comp} oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45" +next base +jump in.duplex4.8type loop +variable base loop ${ntype} +variable base loop 8 + variable basemod equal ${base}%4 + variable basemod equal 2%4 + if "${basemod} == 1" then "variable comp equal ${base}+3" "pair_coeff ${base} ${comp} oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45" + if "${basemod} == 2" then "variable comp equal ${base}+1" "pair_coeff ${base} ${comp} oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45" +variable comp equal ${base}+1 +variable comp equal 2+1 +pair_coeff ${base} ${comp} oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 +pair_coeff 2 ${comp} oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 +pair_coeff 2 3 oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 +next base +jump in.duplex4.8type loop +variable base loop ${ntype} +variable base loop 8 + variable basemod equal ${base}%4 + variable basemod equal 3%4 + if "${basemod} == 1" then "variable comp equal ${base}+3" "pair_coeff ${base} ${comp} oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45" + if "${basemod} == 2" then "variable comp equal ${base}+1" "pair_coeff ${base} ${comp} oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45" +next base +jump in.duplex4.8type loop +variable base loop ${ntype} +variable base loop 8 + variable basemod equal ${base}%4 + variable basemod equal 4%4 + if "${basemod} == 1" then "variable comp equal ${base}+3" "pair_coeff ${base} ${comp} oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45" + if "${basemod} == 2" then "variable comp equal ${base}+1" "pair_coeff ${base} ${comp} oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45" +next base +jump in.duplex4.8type loop +variable base loop ${ntype} +variable base loop 8 + variable basemod equal ${base}%4 + variable basemod equal 5%4 + if "${basemod} == 1" then "variable comp equal ${base}+3" "pair_coeff ${base} ${comp} oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45" +variable comp equal ${base}+3 +variable comp equal 5+3 +pair_coeff ${base} ${comp} oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 +pair_coeff 5 ${comp} oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 +pair_coeff 5 8 oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 + if "${basemod} == 2" then "variable comp equal ${base}+1" "pair_coeff ${base} ${comp} oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45" +next base +jump in.duplex4.8type loop +variable base loop ${ntype} +variable base loop 8 + variable basemod equal ${base}%4 + variable basemod equal 6%4 + if "${basemod} == 1" then "variable comp equal ${base}+3" "pair_coeff ${base} ${comp} oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45" + if "${basemod} == 2" then "variable comp equal ${base}+1" "pair_coeff ${base} ${comp} oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45" +variable comp equal ${base}+1 +variable comp equal 6+1 +pair_coeff ${base} ${comp} oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 +pair_coeff 6 ${comp} oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 +pair_coeff 6 7 oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 +next base +jump in.duplex4.8type loop +variable base loop ${ntype} +variable base loop 8 + variable basemod equal ${base}%4 + variable basemod equal 7%4 + if "${basemod} == 1" then "variable comp equal ${base}+3" "pair_coeff ${base} ${comp} oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45" + if "${basemod} == 2" then "variable comp equal ${base}+1" "pair_coeff ${base} ${comp} oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45" +next base +jump in.duplex4.8type loop +variable base loop ${ntype} +variable base loop 8 + variable basemod equal ${base}%4 + variable basemod equal 8%4 + if "${basemod} == 1" then "variable comp equal ${base}+3" "pair_coeff ${base} ${comp} oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45" + if "${basemod} == 2" then "variable comp equal ${base}+1" "pair_coeff ${base} ${comp} oxdna2/hbond seqdep 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45" +next base +jump in.duplex4.8type loop + +pair_coeff * * oxdna2/xstk 47.5 0.575 0.675 0.495 0.655 2.25 0.791592653589793 0.58 1.7 1.0 0.68 1.7 1.0 0.68 1.5 0 0.65 1.7 0.875 0.68 1.7 0.875 0.68 +pair_coeff * * oxdna2/coaxstk 58.5 0.4 0.6 0.22 0.58 2.0 2.891592653589793 0.65 1.3 0 0.8 0.9 0 0.95 0.9 0 0.95 40.0 3.116592653589793 +pair_coeff * * oxdna2/dh ${T} ${rhos} 0.815 +pair_coeff * * oxdna2/dh 0.1 ${rhos} 0.815 +pair_coeff * * oxdna2/dh 0.1 0.2 0.815 + +# Langevin dynamics +fix 1 all nve/asphere +fix 2 all langevin ${T} ${T} 2.5 457145 angmom 10 +fix 2 all langevin 0.1 ${T} 2.5 457145 angmom 10 +fix 2 all langevin 0.1 0.1 2.5 457145 angmom 10 + +timestep 1e-5 + +#comm_style tiled +fix 3 all balance 1000 1.03 shift xyz 10 1.03 +comm_modify cutoff 3.8 + +compute quat all property/atom quatw quati quatj quatk + +compute erot all erotate/asphere +compute ekin all ke +compute epot all pe +variable erot equal c_erot +variable ekin equal c_ekin +variable epot equal c_epot +variable etot equal c_erot+c_ekin+c_epot +fix 5 all print ${efreq} "$(step) ekin = ${ekin} | erot = ${erot} | epot = ${epot} | etot = ${etot}" screen yes +fix 5 all print 1000 "$(step) ekin = ${ekin} | erot = ${erot} | epot = ${epot} | etot = ${etot}" screen yes + +dump out all custom ${ofreq} out.${number}.lammpstrj id mol type x y z ix iy iz vx vy vz c_quat[1] c_quat[2] c_quat[3] c_quat[4] angmomx angmomy angmomz +dump out all custom 1000 out.${number}.lammpstrj id mol type x y z ix iy iz vx vy vz c_quat[1] c_quat[2] c_quat[3] c_quat[4] angmomx angmomy angmomz +dump out all custom 1000 out.8.lammpstrj id mol type x y z ix iy iz vx vy vz c_quat[1] c_quat[2] c_quat[3] c_quat[4] angmomx angmomy angmomz +dump_modify out sort id +dump_modify out format line "%d %d %d %22.15le %22.15le %22.15le %d %d %d %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le" + +run 1000000 +Neighbor list info ... + update every 10 steps, delay 0 steps, check yes + max neighbors/atom: 2000, page size: 100000 + master list distance cutoff = 5.6389877 + ghost atom cutoff = 5.6389877 + binsize = 2.8194939, bins = 15 15 15 + 5 neighbor lists, perpetual/occasional/extra = 5 0 0 + (1) pair oxdna2/excv, perpetual + attributes: half, newton on + pair build: half/bin/newton + stencil: half/bin/3d + bin: standard + (2) pair oxdna2/hbond, perpetual, copy from (1) + attributes: half, newton on + pair build: copy + stencil: none + bin: none + (3) pair oxdna2/xstk, perpetual, copy from (1) + attributes: half, newton on + pair build: copy + stencil: none + bin: none + (4) pair oxdna2/coaxstk, perpetual, copy from (1) + attributes: half, newton on + pair build: copy + stencil: none + bin: none + (5) pair oxdna2/dh, perpetual, copy from (1) + attributes: half, newton on + pair build: copy + stencil: none + bin: none +WARNING: Communication cutoff adjusted to 5.638987723814632 (../comm.cpp:739) +0 ekin = 3.74991604702378 | erot = 3.45272678980464 | epot = -37.3742009011421 | etot = -30.1715580643137 +Per MPI rank memory allocation (min/avg/max) = 9.321 | 9.322 | 9.323 Mbytes +Step Temp E_pair E_mol TotEng Press Volume + 0 0.099997761 -1.4717559 0.03428661 -1.2932417 5.6146609e-05 64000 +1000 ekin = 3.92430268570824 | erot = 3.29540971313705 | epot = -37.4816670091169 | etot = -30.2619546102716 +2000 ekin = 3.88644825046428 | erot = 3.58410925014822 | epot = -37.5871874286304 | etot = -30.1166299280179 +3000 ekin = 3.90603224055461 | erot = 3.7820605745286 | epot = -37.7021302921285 | etot = -30.0140374770453 +4000 ekin = 4.02636555552402 | erot = 3.91677901140303 | epot = -37.8027608694504 | etot = -29.8596163025233 +5000 ekin = 4.05442725401043 | erot = 4.07817807460239 | epot = -37.8494362833427 | etot = -29.7168309547299 +6000 ekin = 4.13499768127483 | erot = 4.03873475277248 | epot = -37.8257365098368 | etot = -29.6520040757895 +7000 ekin = 4.08584129662811 | erot = 3.9850289293034 | epot = -37.7447761711061 | etot = -29.6739059451746 +8000 ekin = 4.04473728341538 | erot = 3.70461133282257 | epot = -37.6185211079512 | etot = -29.8691724917133 +9000 ekin = 3.97040375513034 | erot = 3.89171847539017 | epot = -37.4779912856655 | etot = -29.615869055145 +10000 ekin = 4.08064552796876 | erot = 4.10399273710614 | epot = -37.3378150214196 | etot = -29.1531767563447 +11000 ekin = 3.94505548567027 | erot = 4.14758664614568 | epot = -37.2085796341435 | etot = -29.1159375023276 +12000 ekin = 3.88687763742865 | erot = 4.11256727293729 | epot = -37.1168918341091 | etot = -29.1174469237431 +13000 ekin = 3.78376547312033 | erot = 3.94997258779547 | epot = -37.0636475805865 | etot = -29.3299095196707 +14000 ekin = 3.72114827358807 | erot = 3.8386275531307 | epot = -37.053932608354 | etot = -29.4941567816353 +15000 ekin = 3.63885725366143 | erot = 3.37568559083329 | epot = -37.0775134892156 | etot = -30.0629706447209 +16000 ekin = 3.75926862366822 | erot = 3.47832285528774 | epot = -37.1763229835918 | etot = -29.9387315046358 +17000 ekin = 3.80458992549717 | erot = 3.37818714949382 | epot = -37.3270848276042 | etot = -30.1443077526132 +18000 ekin = 3.81685915102047 | erot = 3.82235577807973 | epot = -37.4876996492703 | etot = -29.84848472017 +19000 ekin = 3.80633274630077 | erot = 3.80393283337367 | epot = -37.6386270441083 | etot = -30.0283614644338 +20000 ekin = 3.77027693322166 | erot = 3.97848447130852 | epot = -37.7861726918924 | etot = -30.0374112873623 +21000 ekin = 3.75594248876353 | erot = 3.9040052393667 | epot = -37.9165000666023 | etot = -30.256552338472 +22000 ekin = 3.81729390633802 | erot = 3.70298358069288 | epot = -38.0211478246461 | etot = -30.5008703376152 +23000 ekin = 3.86462773298721 | erot = 3.52903064555356 | epot = -38.0539868057476 | etot = -30.6603284272068 +24000 ekin = 3.84611190496181 | erot = 3.47876891204884 | epot = -38.0524942369902 | etot = -30.7276134199796 +25000 ekin = 3.88431543220182 | erot = 3.80956733596685 | epot = -38.0090041212111 | etot = -30.3151213530425 +26000 ekin = 3.88520717073553 | erot = 4.04667753560885 | epot = -37.9336134642012 | etot = -30.0017287578568 +27000 ekin = 3.83553778749005 | erot = 4.1822230688838 | epot = -37.8633670830473 | etot = -29.8456062266734 +28000 ekin = 3.83638307293675 | erot = 4.13838046178327 | epot = -37.8079901228043 | etot = -29.8332265880843 +29000 ekin = 3.81360349447098 | erot = 4.16358811310883 | epot = -37.7885827024555 | etot = -29.8113910948756 +30000 ekin = 3.89572360919447 | erot = 4.04566996469694 | epot = -37.7874054211311 | etot = -29.8460118472397 +31000 ekin = 3.89393888302725 | erot = 3.55790326104643 | epot = -37.8038131932179 | etot = -30.3519710491442 +32000 ekin = 3.80317271692925 | erot = 3.54273524643289 | epot = -37.8451815180302 | etot = -30.4992735546681 +33000 ekin = 3.78703980355198 | erot = 3.99364624500505 | epot = -37.9406281896735 | etot = -30.1599421411165 +34000 ekin = 3.77142087668814 | erot = 3.88594611308826 | epot = -38.0975843525551 | etot = -30.4402173627787 +35000 ekin = 3.71264930628472 | erot = 3.65225843687428 | epot = -38.2835289304068 | etot = -30.9186211872478 +36000 ekin = 3.74220790707646 | erot = 3.95952222810306 | epot = -38.4596915935923 | etot = -30.7579614584128 +37000 ekin = 3.82423101226182 | erot = 4.44859396622374 | epot = -38.6538277887213 | etot = -30.3810028102358 +38000 ekin = 3.69455547696867 | erot = 4.82722829899239 | epot = -38.8348230288023 | etot = -30.3130392528413 +39000 ekin = 3.59548909658498 | erot = 5.03318978839692 | epot = -38.9632877762134 | etot = -30.3346088912315 +40000 ekin = 3.72390826726257 | erot = 4.77008246177612 | epot = -39.0432740898074 | etot = -30.5492833607687 +41000 ekin = 3.7184513028698 | erot = 4.66721188475367 | epot = -39.0678678855714 | etot = -30.6822046979479 +42000 ekin = 3.54696055158215 | erot = 4.50731751167309 | epot = -39.0616854007739 | etot = -31.0074073375186 +43000 ekin = 3.57495163768253 | erot = 4.94852093613527 | epot = -39.0169365666546 | etot = -30.4934639928368 +44000 ekin = 3.52915394890511 | erot = 5.14481752350043 | epot = -38.9320102816113 | etot = -30.2580388092058 +45000 ekin = 3.36103362047068 | erot = 5.30737062665214 | epot = -38.8074049309155 | etot = -30.1390006837927 +46000 ekin = 3.33204426677162 | erot = 4.63880623753686 | epot = -38.6602813061651 | etot = -30.6894308018567 +47000 ekin = 3.3454696016767 | erot = 4.07237976376904 | epot = -38.5241501078279 | etot = -31.1063007423822 +48000 ekin = 3.40049787952109 | erot = 4.05251615432415 | epot = -38.3938498073684 | etot = -30.9408357735232 +49000 ekin = 3.31008896923646 | erot = 4.20737258711353 | epot = -38.2514760468931 | etot = -30.7340144905431 +50000 ekin = 3.27384446847297 | erot = 3.84861240213725 | epot = -38.0781706006621 | etot = -30.9557137300519 +51000 ekin = 3.28837845708164 | erot = 4.03176750511312 | epot = -37.91245244037 | etot = -30.5923064781752 +52000 ekin = 3.32612610774242 | erot = 3.69449114481266 | epot = -37.7461543084422 | etot = -30.7255370558871 +53000 ekin = 3.24704253260759 | erot = 3.82351300738073 | epot = -37.5996085904177 | etot = -30.5290530504294 +54000 ekin = 3.28722266262309 | erot = 3.86366065026162 | epot = -37.4297798097099 | etot = -30.2788964968252 +55000 ekin = 3.24079189906268 | erot = 3.69908024112645 | epot = -37.2469422361785 | etot = -30.3070700959894 +56000 ekin = 3.18312456980309 | erot = 3.4713329715515 | epot = -37.0860684089786 | etot = -30.4316108676241 +57000 ekin = 3.22541795737972 | erot = 3.05594699251095 | epot = -36.9568071104524 | etot = -30.6754421605617 +58000 ekin = 3.32107899021709 | erot = 2.99608132055998 | epot = -36.8451019319947 | etot = -30.5279416212176 +59000 ekin = 3.37756033387522 | erot = 3.02468556348912 | epot = -36.7527120143503 | etot = -30.3504661169859 +60000 ekin = 3.37838518206593 | erot = 2.80486585978148 | epot = -36.6500489307867 | etot = -30.4667978889392 +61000 ekin = 3.42593058259813 | erot = 2.57336693961351 | epot = -36.5598996921937 | etot = -30.5606021699821 +62000 ekin = 3.38330194206299 | erot = 2.48716523240096 | epot = -36.4917506706074 | etot = -30.6212834961435 +63000 ekin = 3.23944564751904 | erot = 2.68514269262914 | epot = -36.4581690118124 | etot = -30.5335806716642 +64000 ekin = 3.1285734084237 | erot = 2.81379000215892 | epot = -36.4694531808167 | etot = -30.5270897702341 +65000 ekin = 3.09729001722782 | erot = 2.97796742393485 | epot = -36.4999099304855 | etot = -30.4246524893228 +66000 ekin = 3.0253262521451 | erot = 2.98352661182229 | epot = -36.5477137383998 | etot = -30.5388608744324 +67000 ekin = 3.14798260660732 | erot = 3.20065089850766 | epot = -36.632076278664 | etot = -30.283442773549 +68000 ekin = 3.28121216444374 | erot = 3.27703862715895 | epot = -36.7797333797322 | etot = -30.2214825881296 +69000 ekin = 3.391098638729 | erot = 3.49453676740748 | epot = -36.9477169900693 | etot = -30.0620815839328 +70000 ekin = 3.52145416968697 | erot = 3.19663795891383 | epot = -37.1459833247571 | etot = -30.4278911961563 +71000 ekin = 3.72588366820861 | erot = 3.11523594110609 | epot = -37.3394708863319 | etot = -30.4983512770172 +72000 ekin = 3.87053189634938 | erot = 3.51504753627337 | epot = -37.5837173340765 | etot = -30.1981379014537 +73000 ekin = 4.04353464507253 | erot = 3.57819581965 | epot = -37.8491002809692 | etot = -30.2273698162467 +74000 ekin = 4.21655599164692 | erot = 3.67972843708669 | epot = -38.0370200626718 | etot = -30.1407356339382 +75000 ekin = 4.27518037345521 | erot = 3.50148075250718 | epot = -38.1503543696651 | etot = -30.3736932437027 +76000 ekin = 4.3926037838371 | erot = 3.17711135808543 | epot = -38.226977923484 | etot = -30.6572627815614 +77000 ekin = 4.46694156592382 | erot = 3.28356630286398 | epot = -38.2567512319257 | etot = -30.5062433631379 +78000 ekin = 4.58031785764155 | erot = 3.27581240698071 | epot = -38.2501645622443 | etot = -30.3940342976221 +79000 ekin = 4.74132912230465 | erot = 3.40062659497672 | epot = -38.2259226034579 | etot = -30.0839668861765 +80000 ekin = 4.84478519554004 | erot = 3.56980153308305 | epot = -38.1476686101295 | etot = -29.7330818815064 +81000 ekin = 4.71163727716959 | erot = 3.65201658810481 | epot = -38.0489180007763 | etot = -29.6852641355019 +82000 ekin = 4.6231089457345 | erot = 3.61128178949376 | epot = -37.9515873690418 | etot = -29.7171966338136 +83000 ekin = 4.53890753637784 | erot = 3.79707688079965 | epot = -37.8589639327866 | etot = -29.5229795156091 +84000 ekin = 4.51952558800252 | erot = 3.75897913437647 | epot = -37.8043394039476 | etot = -29.5258346815686 +85000 ekin = 4.44986224636033 | erot = 4.10169839029418 | epot = -37.7952059629823 | etot = -29.2436453263278 +86000 ekin = 4.40335859262163 | erot = 4.1830315863789 | epot = -37.8405946712624 | etot = -29.2542044922618 +87000 ekin = 4.34352629789851 | erot = 4.00093225674517 | epot = -37.898177567682 | etot = -29.5537190130383 +88000 ekin = 4.39692532206231 | erot = 3.88765396717278 | epot = -37.9120170018269 | etot = -29.6274377125919 +89000 ekin = 4.35895407807686 | erot = 4.06877052706293 | epot = -37.8812041939536 | etot = -29.4534795888138 +90000 ekin = 4.2071551167368 | erot = 3.96880041117194 | epot = -37.8268382933969 | etot = -29.6508827654882 +91000 ekin = 4.22021993231722 | erot = 4.12841045745293 | epot = -37.7475084891388 | etot = -29.3988780993687 +92000 ekin = 4.13264986882769 | erot = 3.86635436032361 | epot = -37.6428932571545 | etot = -29.6438890280032 +93000 ekin = 4.05697056146709 | erot = 3.48249980793531 | epot = -37.5034004108467 | etot = -29.9639300414443 +94000 ekin = 3.85560920909802 | erot = 3.51617278195618 | epot = -37.3716848222182 | etot = -29.999902831164 +95000 ekin = 3.70696167824248 | erot = 3.74539992686897 | epot = -37.2425364302771 | etot = -29.7901748251656 +96000 ekin = 3.64541489153293 | erot = 3.55177042583762 | epot = -37.1071295289262 | etot = -29.9099442115556 +97000 ekin = 3.59427366044318 | erot = 3.58237376190948 | epot = -36.990331249798 | etot = -29.8136838274454 +98000 ekin = 3.36609732779909 | erot = 3.78920076230077 | epot = -36.8893462899051 | etot = -29.7340481998052 +99000 ekin = 3.24308716626529 | erot = 3.98439513504793 | epot = -36.7958275145338 | etot = -29.5683452132205 +100000 ekin = 3.10105716620534 | erot = 3.88380514199007 | epot = -36.7237148853891 | etot = -29.7388525771937 +101000 ekin = 3.0539281420833 | erot = 3.92712981026617 | epot = -36.7019624525075 | etot = -29.720904500158 +102000 ekin = 3.21793305977278 | erot = 4.11601242104548 | epot = -36.7682713932651 | etot = -29.4343259124469 +103000 ekin = 3.29518049820534 | erot = 4.13622147772537 | epot = -36.8839850328144 | etot = -29.4525830568837 +104000 ekin = 3.38349143563989 | erot = 4.11834556660366 | epot = -37.0170458924467 | etot = -29.5152088902031 +105000 ekin = 3.43063719220731 | erot = 4.19281995644328 | epot = -37.1501255032183 | etot = -29.5266683545677 +106000 ekin = 3.39305878697925 | erot = 4.59139499879988 | epot = -37.2962927183006 | etot = -29.3118389325215 +107000 ekin = 3.49611625167404 | erot = 4.42190170056934 | epot = -37.429825379218 | etot = -29.5118074269746 +108000 ekin = 3.59165643487548 | erot = 4.73333858652907 | epot = -37.4821370449025 | etot = -29.1571420234979 +109000 ekin = 3.59878557010273 | erot = 5.08720641062768 | epot = -37.4454225962912 | etot = -28.7594306155607 +110000 ekin = 3.52607850054496 | erot = 4.92743402067516 | epot = -37.33464551381 | etot = -28.8811329925899 +111000 ekin = 3.52196404281898 | erot = 4.48970120472513 | epot = -37.2166378630308 | etot = -29.2049726154866 +112000 ekin = 3.64094551226764 | erot = 4.18578082474288 | epot = -37.1356107687899 | etot = -29.3088844317794 +113000 ekin = 3.59908785035481 | erot = 3.81929848767576 | epot = -37.1563156196511 | etot = -29.7379292816205 +114000 ekin = 3.73247165614536 | erot = 3.71912191326134 | epot = -37.1841072802385 | etot = -29.7325137108319 +115000 ekin = 3.81386546938822 | erot = 3.49889872890813 | epot = -37.2616543115736 | etot = -29.9488901132773 +116000 ekin = 4.05829999340879 | erot = 3.583906655014 | epot = -37.400300568259 | etot = -29.7580939198362 +117000 ekin = 4.2755011092504 | erot = 3.79076820440129 | epot = -37.5923004712666 | etot = -29.5260311576149 +118000 ekin = 4.45490103530211 | erot = 3.7791518579582 | epot = -37.7846946186124 | etot = -29.5506417253521 +119000 ekin = 4.58790399115629 | erot = 3.86870152715712 | epot = -37.9811558924432 | etot = -29.5245503741297 +120000 ekin = 4.92259141545339 | erot = 3.84940365834989 | epot = -38.1382043293411 | etot = -29.3662092555378 +121000 ekin = 5.13183269148587 | erot = 4.03705087488501 | epot = -38.2560800244006 | etot = -29.0871964580297 +122000 ekin = 5.17140868558149 | erot = 3.61810962674126 | epot = -38.3381390234361 | etot = -29.5486207111134 +123000 ekin = 5.28384467069883 | erot = 4.14897954513985 | epot = -38.3803925391065 | etot = -28.9475683232678 +124000 ekin = 5.45144965935765 | erot = 3.74948516195918 | epot = -38.4152715166926 | etot = -29.2143366953758 +125000 ekin = 5.49907232704439 | erot = 3.62957174075199 | epot = -38.4698081948493 | etot = -29.3411641270529 +126000 ekin = 5.8127555292288 | erot = 3.50370762045619 | epot = -38.5369283444353 | etot = -29.2204651947503 +127000 ekin = 5.71810535961404 | erot = 3.50153411217259 | epot = -38.6097648991191 | etot = -29.3901254273324 +128000 ekin = 5.59769610955136 | erot = 2.99726680348461 | epot = -38.6545287261793 | etot = -30.0595658131433 +129000 ekin = 5.5165718206709 | erot = 3.37515224045301 | epot = -38.6909141535705 | etot = -29.7991900924466 +130000 ekin = 5.46626997343509 | erot = 3.77525421867709 | epot = -38.7059148210798 | etot = -29.4643906289676 +131000 ekin = 5.36987741440168 | erot = 3.92459463488603 | epot = -38.6781199948589 | etot = -29.3836479455712 +132000 ekin = 5.13704854269979 | erot = 3.89365302265496 | epot = -38.6113331110922 | etot = -29.5806315457375 +133000 ekin = 5.04851208372161 | erot = 4.17613618410271 | epot = -38.4969113589743 | etot = -29.2722630911499 +134000 ekin = 4.96335667475928 | erot = 4.28428652813699 | epot = -38.3084161100388 | etot = -29.0607729071425 +135000 ekin = 4.67485522816786 | erot = 3.71485446936997 | epot = -38.043760165967 | etot = -29.6540504684292 +136000 ekin = 4.48906299160435 | erot = 4.19015103736174 | epot = -37.7533241067268 | etot = -29.0741100777607 +137000 ekin = 4.31371561077628 | erot = 3.47925724303279 | epot = -37.4739407743091 | etot = -29.6809679205001 +138000 ekin = 3.96696543473046 | erot = 3.71675428283144 | epot = -37.2042587721449 | etot = -29.520539054583 +139000 ekin = 3.59101315513257 | erot = 3.64278698721023 | epot = -36.9457852108065 | etot = -29.7119850684637 +140000 ekin = 3.44095423425056 | erot = 3.49830537198601 | epot = -36.7203613080885 | etot = -29.7811017018519 +141000 ekin = 3.36296546737416 | erot = 3.56983741924016 | epot = -36.496476745137 | etot = -29.5636738585227 +142000 ekin = 3.18252441669298 | erot = 3.32935464682707 | epot = -36.324475892532 | etot = -29.812596829012 +143000 ekin = 3.18465930443875 | erot = 3.56170045589758 | epot = -36.2215210957517 | etot = -29.4751613354154 +144000 ekin = 3.08106725409761 | erot = 3.50261030291577 | epot = -36.151244725806 | etot = -29.5675671687926 +145000 ekin = 3.0809377636579 | erot = 3.51948185643664 | epot = -36.0863085456325 | etot = -29.4858889255379 +146000 ekin = 3.02030159479372 | erot = 3.37397305462396 | epot = -36.0845314152705 | etot = -29.6902567658529 +147000 ekin = 3.04139072985625 | erot = 3.36603954258544 | epot = -36.1557232229402 | etot = -29.7482929504985 +148000 ekin = 3.14853067203546 | erot = 3.14562859809661 | epot = -36.2494960139436 | etot = -29.9553367438116 +149000 ekin = 3.18195150813254 | erot = 3.58071760906396 | epot = -36.3477640598877 | etot = -29.5850949426912 +150000 ekin = 3.21133048799954 | erot = 3.85389957660273 | epot = -36.4132627454726 | etot = -29.3480326808703 +151000 ekin = 3.34144104231994 | erot = 3.4939153763212 | epot = -36.478294453089 | etot = -29.6429380344479 +152000 ekin = 3.38469121090087 | erot = 3.35926284582863 | epot = -36.5578474424846 | etot = -29.8138933857551 +153000 ekin = 3.52527639525619 | erot = 3.56811727016302 | epot = -36.6674257186119 | etot = -29.5740320531927 +154000 ekin = 3.77924799771019 | erot = 3.52145795256778 | epot = -36.762260192104 | etot = -29.4615542418261 +155000 ekin = 3.83418008764597 | erot = 3.28305394597542 | epot = -36.8282659682366 | etot = -29.7110319346152 +156000 ekin = 3.87517167307501 | erot = 2.75621015438911 | epot = -36.8507311290658 | etot = -30.2193493016017 +157000 ekin = 3.89846784481905 | erot = 3.03513966490474 | epot = -36.8490467787065 | etot = -29.9154392689827 +158000 ekin = 3.86372390524152 | erot = 3.067331408384 | epot = -36.8143502444314 | etot = -29.8832949308059 +159000 ekin = 3.8756082258688 | erot = 2.72238394226933 | epot = -36.772006665376 | etot = -30.1740144972379 +160000 ekin = 3.816595406495 | erot = 2.7916288304199 | epot = -36.7456092138712 | etot = -30.1373849769563 +161000 ekin = 3.90364665450467 | erot = 2.85891130626936 | epot = -36.6767188031102 | etot = -29.9141608423362 +162000 ekin = 3.93432840871765 | erot = 3.23277686088016 | epot = -36.6068502811304 | etot = -29.4397450115325 +163000 ekin = 3.97425577903384 | erot = 2.70754263327067 | epot = -36.5720643915927 | etot = -29.8902659792882 +164000 ekin = 3.91949827572841 | erot = 3.0566880418144 | epot = -36.581283859358 | etot = -29.6050975418151 +165000 ekin = 3.9942517956167 | erot = 3.29785069907587 | epot = -36.6379374004759 | etot = -29.3458349057833 +166000 ekin = 4.02904533815552 | erot = 3.36634066781836 | epot = -36.7340868254039 | etot = -29.33870081943 +167000 ekin = 4.03733260337014 | erot = 3.51733984448515 | epot = -36.8476519248274 | etot = -29.2929794769721 +168000 ekin = 4.01641387278363 | erot = 3.37538682559175 | epot = -36.971098022016 | etot = -29.5792973236406 +169000 ekin = 3.94799788750035 | erot = 3.38842418926848 | epot = -37.1207420196436 | etot = -29.7843199428747 +170000 ekin = 3.98944239104564 | erot = 3.56779767670635 | epot = -37.292260024934 | etot = -29.735019957182 +171000 ekin = 4.04980262307328 | erot = 3.8730831046424 | epot = -37.4956434312018 | etot = -29.5727577034861 +172000 ekin = 4.10498686245119 | erot = 4.24595756362535 | epot = -37.6879527015218 | etot = -29.3370082754453 +173000 ekin = 4.12919710204917 | erot = 4.28575123018794 | epot = -37.8940672883491 | etot = -29.479118956112 +174000 ekin = 4.04607401980725 | erot = 4.41784593637421 | epot = -38.1063274639935 | etot = -29.642407507812 +175000 ekin = 4.13007220306937 | erot = 4.3967913469306 | epot = -38.3139522350313 | etot = -29.7870886850313 +176000 ekin = 4.1414636964047 | erot = 4.25565002500116 | epot = -38.5085743578727 | etot = -30.1114606364668 +177000 ekin = 4.33605278083852 | erot = 4.58687123058771 | epot = -38.663345411644 | etot = -29.7404214002177 +178000 ekin = 4.3268891648432 | erot = 4.50454813785607 | epot = -38.7700089206451 | etot = -29.9385716179458 +179000 ekin = 4.39331384776191 | erot = 4.88121292734115 | epot = -38.8147888868657 | etot = -29.5402621117627 +180000 ekin = 4.36409495919781 | erot = 4.62653667682595 | epot = -38.7920356589674 | etot = -29.8014040229436 +181000 ekin = 4.40002739116619 | erot = 4.26572305349555 | epot = -38.732090098002 | etot = -30.0663396533403 +182000 ekin = 4.38584471768798 | erot = 4.03958660380944 | epot = -38.6652721860918 | etot = -30.2398408645944 +183000 ekin = 4.38872118980235 | erot = 4.03920994265157 | epot = -38.5494953603399 | etot = -30.121564227886 +184000 ekin = 4.58261674670928 | erot = 4.09854761999429 | epot = -38.385824841967 | etot = -29.7046604752634 +185000 ekin = 4.61324410405523 | erot = 4.15998485211153 | epot = -38.1895073749228 | etot = -29.416278418756 +186000 ekin = 4.58712030480541 | erot = 3.80292929559516 | epot = -37.9691363595882 | etot = -29.5790867591876 +187000 ekin = 4.49704057160018 | erot = 3.79953063209063 | epot = -37.7563677349906 | etot = -29.4597965312998 +188000 ekin = 4.67801335458731 | erot = 3.94614018085653 | epot = -37.5596730791519 | etot = -28.9355195437081 +189000 ekin = 4.72635028851209 | erot = 3.97986342680415 | epot = -37.3737961852725 | etot = -28.6675824699563 +190000 ekin = 4.7042288678312 | erot = 3.76567525080941 | epot = -37.196832874262 | etot = -28.7269287556214 +191000 ekin = 4.76615905270403 | erot = 4.11771710042025 | epot = -37.0524866708229 | etot = -28.1686105176986 +192000 ekin = 4.66334615993905 | erot = 4.32180108624872 | epot = -36.9281089002537 | etot = -27.9429616540659 +193000 ekin = 4.54227272612665 | erot = 4.37403333624804 | epot = -36.8106507982267 | etot = -27.894344735852 +194000 ekin = 4.462583886268 | erot = 4.57094153868338 | epot = -36.7126835627942 | etot = -27.6791581378429 +195000 ekin = 4.26009039309661 | erot = 5.10893274622673 | epot = -36.6717506302939 | etot = -27.3027274909705 +196000 ekin = 4.24016895096413 | erot = 4.95101320260786 | epot = -36.6607739952153 | etot = -27.4695918416433 +197000 ekin = 4.07555507933054 | erot = 5.3373115761178 | epot = -36.6886082622519 | etot = -27.2757416068035 +198000 ekin = 3.98091713951368 | erot = 5.37374733968393 | epot = -36.7238260637148 | etot = -27.3691615845172 +199000 ekin = 4.0006733079207 | erot = 5.36035180423053 | epot = -36.7643724815872 | etot = -27.403347369436 +200000 ekin = 3.91652525767982 | erot = 4.88675678602831 | epot = -36.7730308398529 | etot = -27.9697487961448 +201000 ekin = 3.81609915882208 | erot = 4.31400854830159 | epot = -36.7481890160651 | etot = -28.6180813089414 +202000 ekin = 3.71932569397591 | erot = 4.38569878861434 | epot = -36.6956778034205 | etot = -28.5906533208303 +203000 ekin = 3.6429062307207 | erot = 4.3750378945926 | epot = -36.6304609598585 | etot = -28.6125168345452 +204000 ekin = 3.52854777039972 | erot = 4.29732321046263 | epot = -36.5744389849187 | etot = -28.7485680040564 +205000 ekin = 3.47688319826114 | erot = 4.05205396768161 | epot = -36.531456554712 | etot = -29.0025193887692 +206000 ekin = 3.57867350058512 | erot = 4.2868191467488 | epot = -36.5152410045852 | etot = -28.6497483572513 +207000 ekin = 3.67789472949123 | erot = 4.07649115773256 | epot = -36.4807964879222 | etot = -28.7264106006985 +208000 ekin = 3.75162300302636 | erot = 3.99412890438549 | epot = -36.4719013777705 | etot = -28.7261494703586 +209000 ekin = 3.82882555476977 | erot = 4.07806686544388 | epot = -36.5274965379165 | etot = -28.6206041177029 +210000 ekin = 3.9458995738135 | erot = 4.05524037388635 | epot = -36.6356567037899 | etot = -28.6345167560901 +211000 ekin = 4.07654365300251 | erot = 3.99406586158705 | epot = -36.7715123193756 | etot = -28.7009028047861 +212000 ekin = 4.28409313331832 | erot = 4.41351434873083 | epot = -36.9240266223076 | etot = -28.2264191402585 +213000 ekin = 4.49200123945991 | erot = 4.57752549048093 | epot = -37.0744914076607 | etot = -28.0049646777198 +214000 ekin = 4.68170470060552 | erot = 4.83486386570226 | epot = -37.2372407583265 | etot = -27.7206721920187 +215000 ekin = 4.98081379617907 | erot = 4.46606343482571 | epot = -37.4068324828893 | etot = -27.9599552518845 +216000 ekin = 5.16729766417649 | erot = 4.60318830168464 | epot = -37.546455570517 | etot = -27.7759696046559 +217000 ekin = 5.38386929678543 | erot = 4.77752494373566 | epot = -37.6405601527457 | etot = -27.4791659122246 +218000 ekin = 5.7058164504652 | erot = 4.70370884810736 | epot = -37.698401969983 | etot = -27.2888766714105 +219000 ekin = 5.88600523163575 | erot = 4.58694924042826 | epot = -37.7125786046513 | etot = -27.2396241325873 +220000 ekin = 6.15427965488963 | erot = 4.42931316972489 | epot = -37.6846020761394 | etot = -27.1010092515249 +221000 ekin = 6.20955938015943 | erot = 4.54001725187623 | epot = -37.6213945439905 | etot = -26.8718179119549 +222000 ekin = 6.24568472622515 | erot = 4.97311797105802 | epot = -37.5132484834206 | etot = -26.2944457861374 +223000 ekin = 6.23087495739475 | erot = 4.87026240860754 | epot = -37.4093126450282 | etot = -26.3081752790259 +224000 ekin = 6.34215727178104 | erot = 4.95416073100343 | epot = -37.3138628835635 | etot = -26.017544880779 +225000 ekin = 6.34418551658282 | erot = 4.97197547495999 | epot = -37.2296241301023 | etot = -25.9134631385595 +226000 ekin = 6.27234146176753 | erot = 4.712320761698 | epot = -37.16490911443 | etot = -26.1802468909645 +227000 ekin = 6.29782050547387 | erot = 4.64279996368984 | epot = -37.1521034204924 | etot = -26.2114829513287 +228000 ekin = 6.45215375342329 | erot = 4.66543105642573 | epot = -37.1176036705896 | etot = -26.0000188607406 +229000 ekin = 6.57609932445413 | erot = 4.31104294387352 | epot = -37.0319087568376 | etot = -26.1447664885099 +230000 ekin = 6.3941596764924 | erot = 4.16613500609599 | epot = -36.9020701489014 | etot = -26.341775466313 +231000 ekin = 6.06981997767513 | erot = 4.16164382030047 | epot = -36.7672531588279 | etot = -26.5357893608523 +232000 ekin = 6.07851417086582 | erot = 3.92614169635025 | epot = -36.6287349588706 | etot = -26.6240790916545 +233000 ekin = 5.86578448983374 | erot = 3.89415959164517 | epot = -36.465034335415 | etot = -26.7050902539361 +234000 ekin = 5.66525736866247 | erot = 3.89419060194184 | epot = -36.3317105619283 | etot = -26.772262591324 +235000 ekin = 5.45947253618382 | erot = 3.51915643493605 | epot = -36.1877403763664 | etot = -27.2091114052465 +236000 ekin = 5.23839596197748 | erot = 3.35080370425763 | epot = -36.0601413821509 | etot = -27.4709417159157 +237000 ekin = 5.11015038693027 | erot = 3.41418634041097 | epot = -35.9797234474552 | etot = -27.455386720114 +238000 ekin = 5.07705507560246 | erot = 3.55422258848944 | epot = -35.9558941013165 | etot = -27.3246164372246 +239000 ekin = 5.11036683512567 | erot = 3.60903830571379 | epot = -35.9686036709486 | etot = -27.2491985301092 +240000 ekin = 5.05273101840451 | erot = 3.85355249273515 | epot = -36.0380166955248 | etot = -27.1317331843852 +241000 ekin = 5.09369536459292 | erot = 3.6433800043733 | epot = -36.1343234897539 | etot = -27.3972481207877 +242000 ekin = 5.26488817621227 | erot = 4.01055195692897 | epot = -36.2412063129141 | etot = -26.9657661797729 +243000 ekin = 5.23195261672929 | erot = 4.46546566729833 | epot = -36.345605429643 | etot = -26.6481871456153 +244000 ekin = 5.22638739434401 | erot = 4.31088904489896 | epot = -36.4415840114135 | etot = -26.9043075721705 +245000 ekin = 5.44853137039486 | erot = 4.17607977278288 | epot = -36.5182986507189 | etot = -26.8936875075411 +246000 ekin = 5.51456970399734 | erot = 3.7459544203853 | epot = -36.5760003166761 | etot = -27.3154761922935 +247000 ekin = 5.60809096899872 | erot = 4.15307717654149 | epot = -36.6102851986096 | etot = -26.8491170530694 +248000 ekin = 5.44607700345041 | erot = 4.00137483235449 | epot = -36.6173189081378 | etot = -27.1698670723329 +249000 ekin = 5.39824066997391 | erot = 4.00527284085302 | epot = -36.6178595818604 | etot = -27.2143460710335 +250000 ekin = 5.40591864200621 | erot = 3.83152692098389 | epot = -36.5913298844141 | etot = -27.3538843214239 +251000 ekin = 5.42515843147756 | erot = 3.74120297831872 | epot = -36.5372880481644 | etot = -27.3709266383681 +252000 ekin = 5.4712575658911 | erot = 3.93923600749343 | epot = -36.4718103145524 | etot = -27.0613167411679 +253000 ekin = 5.45280164405796 | erot = 4.07788577485834 | epot = -36.3971958399354 | etot = -26.8665084210191 +254000 ekin = 5.351360104931 | erot = 4.05065697891534 | epot = -36.3208515747331 | etot = -26.9188344908867 +255000 ekin = 5.26929844479126 | erot = 3.99546469631013 | epot = -36.2503502909171 | etot = -26.9855871498158 +256000 ekin = 5.28023678974981 | erot = 4.22040986008114 | epot = -36.1946445254556 | etot = -26.6939978756247 +257000 ekin = 5.06048081748237 | erot = 4.23177072887926 | epot = -36.1310700373981 | etot = -26.8388184910365 +258000 ekin = 5.04266904507291 | erot = 4.32321520327971 | epot = -36.0647093578756 | etot = -26.6988251095229 +259000 ekin = 4.83091830266356 | erot = 4.34656742782584 | epot = -36.0089991272069 | etot = -26.8315133967175 +260000 ekin = 4.836699911676 | erot = 4.25709648660297 | epot = -35.96970369746 | etot = -26.875907299181 +261000 ekin = 4.77396719262991 | erot = 4.0929221497623 | epot = -35.9054139064718 | etot = -27.0385245640796 +262000 ekin = 4.6660127085841 | erot = 3.73102576614632 | epot = -35.8157479345105 | etot = -27.4187094597801 +263000 ekin = 4.58027061960237 | erot = 3.74679758350867 | epot = -35.7631254737833 | etot = -27.4360572706722 +264000 ekin = 4.65921569864907 | erot = 3.90501973343979 | epot = -35.7356757776858 | etot = -27.1714403455969 +265000 ekin = 4.67586149937357 | erot = 3.94654925905527 | epot = -35.7049387943769 | etot = -27.0825280359481 +266000 ekin = 4.69584694538616 | erot = 3.98055672084523 | epot = -35.6673176149281 | etot = -26.9909139486967 +267000 ekin = 4.78499421533014 | erot = 4.0364816915833 | epot = -35.6392507408913 | etot = -26.8177748339778 +268000 ekin = 4.84316914009132 | erot = 3.9986077800244 | epot = -35.6448334716871 | etot = -26.8030565515714 +269000 ekin = 4.90837806472402 | erot = 4.04652570535906 | epot = -35.6496420701673 | etot = -26.6947383000842 +270000 ekin = 4.78579400655356 | erot = 4.34179455226934 | epot = -35.6115561484025 | etot = -26.4839675895796 +271000 ekin = 4.85153732395834 | erot = 3.76641259729514 | epot = -35.613775306659 | etot = -26.9958253854055 +272000 ekin = 4.97803664593813 | erot = 4.19853764559888 | epot = -35.66422567808 | etot = -26.487651386543 +273000 ekin = 4.99431287425886 | erot = 4.16775756950246 | epot = -35.7125500141237 | etot = -26.5504795703624 +274000 ekin = 5.02755533075327 | erot = 4.06015777810426 | epot = -35.7335253506941 | etot = -26.6458122418365 +275000 ekin = 4.96372481963275 | erot = 4.27522667590852 | epot = -35.7375976828865 | etot = -26.4986461873452 +276000 ekin = 5.07934127118678 | erot = 4.03884457577036 | epot = -35.7684807851686 | etot = -26.6502949382115 +277000 ekin = 5.11065676525152 | erot = 3.89593355388357 | epot = -35.8299825238668 | etot = -26.8233922047317 +278000 ekin = 5.14434493464948 | erot = 4.10431801630069 | epot = -35.9156424264978 | etot = -26.6669794755476 +279000 ekin = 5.13854043459747 | erot = 3.33687958464002 | epot = -35.9567280939811 | etot = -27.4813080747437 +280000 ekin = 5.13698711985543 | erot = 3.1321095347802 | epot = -35.9663254349012 | etot = -27.6972287802656 +281000 ekin = 5.12014323326354 | erot = 3.01072130069868 | epot = -35.9687821467586 | etot = -27.8379176127964 +282000 ekin = 5.0748729819616 | erot = 2.78222371236629 | epot = -35.9666224009213 | etot = -28.1095257065934 +283000 ekin = 4.93728532174382 | erot = 2.51682526487889 | epot = -36.0092096947433 | etot = -28.5550991081205 +284000 ekin = 5.10799487537326 | erot = 2.34406164243711 | epot = -36.0766867016223 | etot = -28.6246301838119 +285000 ekin = 5.21438921802967 | erot = 2.42355410917311 | epot = -36.1686025783611 | etot = -28.5306592511584 +286000 ekin = 5.22674428893558 | erot = 2.43127546535952 | epot = -36.2811716154217 | etot = -28.6231518611266 +287000 ekin = 5.42842235635899 | erot = 2.80110266939532 | epot = -36.3926299688269 | etot = -28.1631049430726 +288000 ekin = 5.53841609379804 | erot = 3.04198571498546 | epot = -36.5118610231694 | etot = -27.9314592143859 +289000 ekin = 5.3467040301105 | erot = 3.09938875481675 | epot = -36.6304827875393 | etot = -28.184390002612 +290000 ekin = 5.34231674745426 | erot = 3.31160144161375 | epot = -36.7456392368754 | etot = -28.0917210478074 +291000 ekin = 5.36188526202177 | erot = 3.45917476353394 | epot = -36.8302537236161 | etot = -28.0091936980603 +292000 ekin = 5.47780509141152 | erot = 3.77906726321804 | epot = -36.8842491471654 | etot = -27.6273767925359 +293000 ekin = 5.28302000096844 | erot = 3.57818629599035 | epot = -36.8949841799423 | etot = -28.0337778829835 +294000 ekin = 5.30853543438815 | erot = 3.56263204697584 | epot = -36.8825736697856 | etot = -28.0114061884216 +295000 ekin = 5.20536069491162 | erot = 3.77206495855666 | epot = -36.8703913967998 | etot = -27.8929657433315 +296000 ekin = 5.16948391824595 | erot = 3.64242202500107 | epot = -36.8524591521914 | etot = -28.0405532089444 +297000 ekin = 5.14948698293416 | erot = 3.5630007131842 | epot = -36.8077681088433 | etot = -28.095280412725 +298000 ekin = 5.07831718808015 | erot = 3.56647326916591 | epot = -36.7441951556035 | etot = -28.0994046983574 +299000 ekin = 5.07638833142119 | erot = 3.33911289208736 | epot = -36.7050879472261 | etot = -28.2895867237176 +300000 ekin = 5.03413727775465 | erot = 3.74853034027346 | epot = -36.6636621891821 | etot = -27.880994571154 +301000 ekin = 4.97235848835827 | erot = 3.32835758650059 | epot = -36.6711630757898 | etot = -28.370447000931 +302000 ekin = 5.0096895871007 | erot = 3.04854259478463 | epot = -36.7093256921458 | etot = -28.6510935102605 +303000 ekin = 5.12929110471125 | erot = 3.0802372254872 | epot = -36.7951841728067 | etot = -28.5856558426083 +304000 ekin = 5.16690416140484 | erot = 3.34049274708998 | epot = -36.9126194047401 | etot = -28.4052224962453 +305000 ekin = 5.23349789631504 | erot = 3.46551744359714 | epot = -37.0448370009165 | etot = -28.3458216610043 +306000 ekin = 5.2886097452738 | erot = 3.56105103024495 | epot = -37.1811985422466 | etot = -28.3315377667279 +307000 ekin = 5.40125295123197 | erot = 3.87520415097948 | epot = -37.30553234416 | etot = -28.0290752419485 +308000 ekin = 5.46740727789042 | erot = 3.91865002312583 | epot = -37.389277815527 | etot = -28.0032205145107 +309000 ekin = 5.43990046762824 | erot = 4.00265425349909 | epot = -37.4336308324254 | etot = -27.991076111298 +310000 ekin = 5.38744019614249 | erot = 3.91760045067581 | epot = -37.4766997166659 | etot = -28.1716590698476 +311000 ekin = 5.54869794564873 | erot = 3.97913763348747 | epot = -37.5380640420298 | etot = -28.0102284628936 +312000 ekin = 5.71519006739875 | erot = 4.09263126769848 | epot = -37.5745318459452 | etot = -27.766710510848 +313000 ekin = 5.60331607661102 | erot = 3.83543196463859 | epot = -37.6101139619702 | etot = -28.1713659207206 +314000 ekin = 5.5180041708143 | erot = 3.7494474523439 | epot = -37.6279066647949 | etot = -28.3604550416367 +315000 ekin = 5.47833005901007 | erot = 4.08581993263796 | epot = -37.6406124353411 | etot = -28.0764624436931 +316000 ekin = 5.33860837296308 | erot = 4.51116644302033 | epot = -37.6217312448187 | etot = -27.7719564288353 +317000 ekin = 5.23941916557626 | erot = 4.78689518832633 | epot = -37.5731600528525 | etot = -27.5468456989499 +318000 ekin = 5.11187775633088 | erot = 4.8295881268003 | epot = -37.5155006216098 | etot = -27.5740347384786 +319000 ekin = 5.22954347525669 | erot = 4.49457407004892 | epot = -37.4371163833055 | etot = -27.7129988379999 +320000 ekin = 5.30878948863373 | erot = 4.92186054084621 | epot = -37.3586788029377 | etot = -27.1280287734577 +321000 ekin = 5.25051542685368 | erot = 4.81963950413293 | epot = -37.3122945279909 | etot = -27.2421395970043 +322000 ekin = 5.07574443571119 | erot = 4.74007360204251 | epot = -37.2420599117422 | etot = -27.4262418739885 +323000 ekin = 5.0265325350937 | erot = 4.66604787555056 | epot = -37.1620424354779 | etot = -27.4694620248336 +324000 ekin = 5.12999279273048 | erot = 4.55456244400843 | epot = -37.1081993843435 | etot = -27.4236441476046 +325000 ekin = 5.01484863365259 | erot = 5.03270116093541 | epot = -37.0549970668844 | etot = -27.0074472722964 +326000 ekin = 5.15105125743363 | erot = 4.77726330645675 | epot = -37.0062804471437 | etot = -27.0779658832534 +327000 ekin = 5.17373663939357 | erot = 4.75720955177068 | epot = -36.9735735310225 | etot = -27.0426273398583 +328000 ekin = 5.3265809986392 | erot = 4.45847251670634 | epot = -36.9463177254326 | etot = -27.1612642100871 +329000 ekin = 5.28491385975229 | erot = 4.23650020870599 | epot = -36.9151642788529 | etot = -27.3937502103946 +330000 ekin = 5.12552135481235 | erot = 4.79027984581653 | epot = -36.8863179466158 | etot = -26.9705167459869 +331000 ekin = 5.12103290586643 | erot = 5.03778117543898 | epot = -36.841363047454 | etot = -26.6825489661486 +332000 ekin = 5.06929714597605 | erot = 4.90820597157557 | epot = -36.7488012231946 | etot = -26.771298105643 +333000 ekin = 4.96505468499555 | erot = 5.01335794632778 | epot = -36.6271163009911 | etot = -26.6487036696678 +334000 ekin = 4.99343125906659 | erot = 5.01439694959199 | epot = -36.5036049758887 | etot = -26.4957767672301 +335000 ekin = 4.90069371729875 | erot = 4.54385275511657 | epot = -36.3777599646381 | etot = -26.9332134922228 +336000 ekin = 5.07863725672875 | erot = 4.69305135725135 | epot = -36.2629152842756 | etot = -26.4912266702956 +337000 ekin = 4.94799955754133 | erot = 4.52583833193069 | epot = -36.1612360033462 | etot = -26.6873981138742 +338000 ekin = 4.85224868200284 | erot = 4.50041298245555 | epot = -36.0752991866383 | etot = -26.7226375221799 +339000 ekin = 4.72144640536423 | erot = 4.54752039051223 | epot = -35.9970632546972 | etot = -26.7280964588208 +340000 ekin = 4.80943098922164 | erot = 4.34708343509498 | epot = -35.9687361528352 | etot = -26.8122217285186 +341000 ekin = 4.70361214653931 | erot = 4.47793300498463 | epot = -35.9999322617905 | etot = -26.8183871102666 +342000 ekin = 4.76064761481744 | erot = 4.66605256976241 | epot = -36.0433784122729 | etot = -26.616678227693 +343000 ekin = 4.67728032528768 | erot = 4.6610083917642 | epot = -35.9211632159824 | etot = -26.5828744989305 +344000 ekin = 4.96339724601181 | erot = 4.93823124551168 | epot = -36.2212250614817 | etot = -26.3195965699582 +345000 ekin = 4.92216540601158 | erot = 5.10460165774345 | epot = -36.3841924486034 | etot = -26.3574253848484 +346000 ekin = 4.99792813974856 | erot = 4.77882820289903 | epot = -36.4406602112533 | etot = -26.6639038686057 +347000 ekin = 4.97738387739107 | erot = 4.57238123569529 | epot = -36.4353446283208 | etot = -26.8855795152344 +348000 ekin = 4.92451917191307 | erot = 4.32330547944774 | epot = -36.3741726686486 | etot = -27.1263480172878 +349000 ekin = 4.7901834448853 | erot = 4.64955099606445 | epot = -36.2232051796221 | etot = -26.7834707386723 +350000 ekin = 4.74997485376102 | erot = 4.41441619333004 | epot = -36.0086530481284 | etot = -26.8442620010373 +351000 ekin = 4.65861306362097 | erot = 4.54712008187945 | epot = -35.7312651155867 | etot = -26.5255319700863 +352000 ekin = 4.64876538273139 | erot = 4.76138349321515 | epot = -35.4506369361125 | etot = -26.0404880601659 +353000 ekin = 4.59253342080998 | erot = 4.29456686626234 | epot = -35.1553683981332 | etot = -26.2682681110609 +354000 ekin = 4.53810163149175 | erot = 4.43945254667827 | epot = -34.9111484982539 | etot = -25.9335943200839 +355000 ekin = 4.47391617267565 | erot = 4.20275229581248 | epot = -34.7382448152827 | etot = -26.0615763467945 +356000 ekin = 4.33084740359816 | erot = 4.16589789857799 | epot = -34.6459462576645 | etot = -26.1492009554884 +357000 ekin = 4.27639689643504 | erot = 4.49834201135675 | epot = -34.6234093478584 | etot = -25.8486704400666 +358000 ekin = 4.37058163127524 | erot = 4.6282751781028 | epot = -34.6601229270853 | etot = -25.6612661177073 +359000 ekin = 4.33282658147824 | erot = 4.35852771696217 | epot = -34.7355034140381 | etot = -26.0441491155977 +360000 ekin = 4.23025745994598 | erot = 3.7369218729668 | epot = -34.827271441646 | etot = -26.8600921087332 +361000 ekin = 4.32772510308485 | erot = 3.40799158120903 | epot = -34.9260321184264 | etot = -27.1903154341325 +362000 ekin = 4.4377220758705 | erot = 3.92824256651614 | epot = -35.0362517129441 | etot = -26.6702870705575 +363000 ekin = 4.60059512711655 | erot = 3.78527820800773 | epot = -35.149230388508 | etot = -26.7633570533837 +364000 ekin = 4.67620778921741 | erot = 3.65656363116 | epot = -35.2108467629341 | etot = -26.8780753425567 +365000 ekin = 4.68744796027325 | erot = 3.48647035761111 | epot = -35.257929142539 | etot = -27.0840108246547 +366000 ekin = 4.6317169465738 | erot = 3.80732263161735 | epot = -35.3317328424945 | etot = -26.8926932643033 +367000 ekin = 4.58794520776095 | erot = 4.31664541166351 | epot = -35.4114076873989 | etot = -26.5068170679744 +368000 ekin = 4.53697760644319 | erot = 4.37812449310847 | epot = -35.4654560531487 | etot = -26.550353953597 +369000 ekin = 4.50593348762442 | erot = 4.09682529638616 | epot = -35.5029044754857 | etot = -26.9001456914751 +370000 ekin = 4.51011536275109 | erot = 4.41695795738163 | epot = -35.5220659543716 | etot = -26.5949926342389 +371000 ekin = 4.5304986013542 | erot = 4.68112317412985 | epot = -35.5213297387008 | etot = -26.3097079632167 +372000 ekin = 4.42660066351873 | erot = 4.7814861185934 | epot = -35.5227844835438 | etot = -26.3146977014317 +373000 ekin = 4.28146792836394 | erot = 4.87997662616399 | epot = -35.4825501780567 | etot = -26.3211056235288 +374000 ekin = 4.13287464156696 | erot = 4.84001159820223 | epot = -35.452301102515 | etot = -26.4794148627458 +375000 ekin = 4.12545451947128 | erot = 4.81807433824656 | epot = -35.4637375699464 | etot = -26.5202087122286 +376000 ekin = 3.87506271806601 | erot = 5.35141111797735 | epot = -35.4720072259955 | etot = -26.2455333899521 +377000 ekin = 3.79770565908006 | erot = 5.28013401771271 | epot = -35.5177354201972 | etot = -26.4398957434045 +378000 ekin = 3.64048261255644 | erot = 5.4207242379617 | epot = -35.580823638477 | etot = -26.5196167879589 +379000 ekin = 3.5238611157663 | erot = 5.9756700460675 | epot = -35.6532146067628 | etot = -26.153683444929 +380000 ekin = 3.32387900413165 | erot = 6.59135162244908 | epot = -35.7551331169146 | etot = -25.8399024903339 +381000 ekin = 3.31695717077427 | erot = 6.10983514346606 | epot = -35.8815158952865 | etot = -26.4547235810462 +382000 ekin = 3.19546651526091 | erot = 6.36489840257035 | epot = -35.9926058393694 | etot = -26.4322409215381 +383000 ekin = 3.2436816976457 | erot = 6.33114976953688 | epot = -36.0664601033041 | etot = -26.4916286361216 +384000 ekin = 3.20726412806376 | erot = 6.19392941274209 | epot = -36.1325810920204 | etot = -26.7313875512146 +385000 ekin = 3.23885859839745 | erot = 6.31552666314741 | epot = -36.1503271354807 | etot = -26.5959418739358 +386000 ekin = 3.1687441170802 | erot = 5.94413881699916 | epot = -36.1310192334962 | etot = -27.0181362994169 +387000 ekin = 3.15499705249205 | erot = 5.48308596050856 | epot = -36.0714221491833 | etot = -27.4333391361827 +388000 ekin = 3.24907989403005 | erot = 5.58200944567837 | epot = -35.9925882356968 | etot = -27.1614988959884 +389000 ekin = 3.39871525437692 | erot = 5.14342534967113 | epot = -35.926273930772 | etot = -27.384133326724 +390000 ekin = 3.53157771561143 | erot = 5.06601106990858 | epot = -35.9089837935163 | etot = -27.3113950079963 +391000 ekin = 3.6460216873691 | erot = 4.8866150487515 | epot = -35.8854822304094 | etot = -27.3528454942888 +392000 ekin = 3.79325143536293 | erot = 5.07292816992976 | epot = -35.852420754602 | etot = -26.9862411493093 +393000 ekin = 3.89148460233043 | erot = 5.02930522203654 | epot = -35.7951222586314 | etot = -26.8743324342644 +394000 ekin = 3.96458882833113 | erot = 4.47630346760482 | epot = -35.7247928997475 | etot = -27.2839006038116 +395000 ekin = 4.03856036181243 | erot = 4.53784941780784 | epot = -35.6586367417744 | etot = -27.0822269621541 +396000 ekin = 3.9968364670664 | erot = 4.49727898211243 | epot = -35.5718421340363 | etot = -27.0777266848575 +397000 ekin = 4.03872005304064 | erot = 4.03153022392497 | epot = -35.5101946272745 | etot = -27.4399443503089 +398000 ekin = 4.01516330519928 | erot = 4.23226303701212 | epot = -35.4578715559687 | etot = -27.2104452137573 +399000 ekin = 4.0192261656521 | erot = 3.71642260618994 | epot = -35.3548490578809 | etot = -27.6192002860389 +400000 ekin = 4.17225085372021 | erot = 4.04093039429581 | epot = -35.2265510847564 | etot = -27.0133698367403 +401000 ekin = 4.15314996432513 | erot = 3.6480496120942 | epot = -35.0943512868028 | etot = -27.2931517103835 +402000 ekin = 4.20245298417931 | erot = 3.70137380667405 | epot = -34.9745627237165 | etot = -27.0707359328631 +403000 ekin = 4.3413245622893 | erot = 3.62891618665746 | epot = -34.8718657472305 | etot = -26.9016249982838 +404000 ekin = 4.42465890243314 | erot = 3.38938035287092 | epot = -34.7967250831433 | etot = -26.9826858278392 +405000 ekin = 4.6066304195345 | erot = 3.44054758174428 | epot = -34.7925257887169 | etot = -26.7453477874381 +406000 ekin = 4.73346375173105 | erot = 3.27915256113149 | epot = -34.8343083282585 | etot = -26.8216920153959 +407000 ekin = 4.82559135473407 | erot = 3.35253133282278 | epot = -34.90590665538 | etot = -26.7277839678232 +408000 ekin = 4.89298564336973 | erot = 3.47339817729168 | epot = -34.9848536782097 | etot = -26.6184698575483 +409000 ekin = 4.94069048180864 | erot = 3.76649967413614 | epot = -35.0728065521188 | etot = -26.365616396174 +410000 ekin = 5.08376278297818 | erot = 3.48855890171057 | epot = -35.1876079350125 | etot = -26.6152862503238 +411000 ekin = 5.10492342399052 | erot = 3.39152717909368 | epot = -35.2939784996996 | etot = -26.7975278966154 +412000 ekin = 5.21115921489285 | erot = 3.62435455589207 | epot = -35.3853247581666 | etot = -26.5498109873817 +413000 ekin = 5.25687541732564 | erot = 3.76308251202552 | epot = -35.4593584594676 | etot = -26.4394005301164 +414000 ekin = 5.13248472496979 | erot = 3.31025282824712 | epot = -35.5393093363075 | etot = -27.0965717830906 +415000 ekin = 5.09217261574502 | erot = 3.59401320391344 | epot = -35.605161792403 | etot = -26.9189759727445 +416000 ekin = 5.04807348985189 | erot = 3.48392073248403 | epot = -35.6748296719208 | etot = -27.1428354495849 +417000 ekin = 4.99138526936695 | erot = 3.46255923404111 | epot = -35.7531502554479 | etot = -27.2992057520398 +418000 ekin = 5.08999508315071 | erot = 3.44390708246907 | epot = -35.8333696081099 | etot = -27.2994674424901 +419000 ekin = 5.21842750435904 | erot = 3.38325168590942 | epot = -35.8593643490788 | etot = -27.2576851588103 +420000 ekin = 5.28947719533084 | erot = 3.50797044377639 | epot = -35.8848039905135 | etot = -27.0873563514062 +421000 ekin = 5.35268927232105 | erot = 3.36603650801218 | epot = -35.8749221051677 | etot = -27.1561963248345 +422000 ekin = 5.23695191026783 | erot = 3.53841920706918 | epot = -35.889640869454 | etot = -27.114269752117 +423000 ekin = 5.09577504756719 | erot = 3.67923583037255 | epot = -35.9137595336544 | etot = -27.1387486557147 +424000 ekin = 5.01335188112952 | erot = 3.70110718137053 | epot = -35.9185617531992 | etot = -27.2041026906992 +425000 ekin = 5.05206155589202 | erot = 3.57652002072466 | epot = -35.9081181462494 | etot = -27.2795365696328 +426000 ekin = 4.96532396129122 | erot = 3.38938274590579 | epot = -35.8769982527928 | etot = -27.5222915455958 +427000 ekin = 4.77195218714222 | erot = 3.50252627514243 | epot = -35.7935414010633 | etot = -27.5190629387787 +428000 ekin = 4.81068646615363 | erot = 3.51825958765464 | epot = -35.6664317412184 | etot = -27.3374856874101 +429000 ekin = 4.73870321335416 | erot = 3.84986931063865 | epot = -35.4873764559103 | etot = -26.8988039319175 +430000 ekin = 4.602137148251 | erot = 3.45284870606445 | epot = -35.3073410925575 | etot = -27.2523552382421 +431000 ekin = 4.57358006593881 | erot = 3.25422348182542 | epot = -35.136759491896 | etot = -27.3089559441318 +432000 ekin = 4.50724003680402 | erot = 3.29998192315333 | epot = -35.029042571088 | etot = -27.2218206111307 +433000 ekin = 4.3086049570317 | erot = 3.42741416873377 | epot = -34.9513402987258 | etot = -27.2153211729603 +434000 ekin = 4.18610269286836 | erot = 3.55059973000638 | epot = -34.9144648758598 | etot = -27.1777624529851 +435000 ekin = 4.12003359590284 | erot = 3.78033374370934 | epot = -34.8780591099563 | etot = -26.9776917703441 +436000 ekin = 3.97313974106134 | erot = 4.05117020636249 | epot = -34.8427841720092 | etot = -26.8184742245853 +437000 ekin = 3.88596008320786 | erot = 4.32902730055979 | epot = -34.8121331683379 | etot = -26.5971457845702 +438000 ekin = 4.03003221046435 | erot = 4.35508047283409 | epot = -34.7917492531094 | etot = -26.4066365698109 +439000 ekin = 4.04655148511162 | erot = 4.17322604141029 | epot = -34.7786348227556 | etot = -26.5588572962337 +440000 ekin = 4.02801522674504 | erot = 4.13470601724881 | epot = -34.7839930854156 | etot = -26.6212718414218 +441000 ekin = 3.94078147941953 | erot = 4.22144190117307 | epot = -34.8185771480927 | etot = -26.6563537675001 +442000 ekin = 3.97730990695675 | erot = 4.24233406975324 | epot = -34.8718962191135 | etot = -26.6522522424035 +443000 ekin = 3.98508138243256 | erot = 4.16122580291799 | epot = -34.9266782585662 | etot = -26.7803710732156 +444000 ekin = 4.00042709081923 | erot = 4.50741850480102 | epot = -34.9630696153487 | etot = -26.4552240197285 +445000 ekin = 4.02620459576038 | erot = 4.64580325301018 | epot = -34.9893039643637 | etot = -26.3172961155932 +446000 ekin = 4.0145460872058 | erot = 4.89747165518641 | epot = -34.9969089036749 | etot = -26.0848911612827 +447000 ekin = 3.96342694873324 | erot = 4.85867800390665 | epot = -34.9830933662455 | etot = -26.1609884136056 +448000 ekin = 3.74592315828131 | erot = 5.1757843335798 | epot = -34.9638816619608 | etot = -26.0421741700997 +449000 ekin = 3.73316291077384 | erot = 5.18498661281975 | epot = -34.9280438941249 | etot = -26.0098943705313 +450000 ekin = 3.85313039093449 | erot = 4.86926583888879 | epot = -34.8716969798347 | etot = -26.1493007500114 +451000 ekin = 4.06359280531127 | erot = 4.99817049859075 | epot = -34.8377147695099 | etot = -25.7759514656079 +452000 ekin = 4.12215980217286 | erot = 4.58488292412149 | epot = -34.8398353293665 | etot = -26.1327926030721 +453000 ekin = 4.16332842884541 | erot = 4.32671008371143 | epot = -34.8570499988887 | etot = -26.3670114863319 +454000 ekin = 4.11754892618409 | erot = 4.47415692336229 | epot = -34.8913194738514 | etot = -26.299613624305 +455000 ekin = 4.22185774995348 | erot = 4.65517828169311 | epot = -34.9334347985054 | etot = -26.0563987668588 +456000 ekin = 4.30177202276143 | erot = 4.77747798616556 | epot = -35.0188770940117 | etot = -25.9396270850847 +457000 ekin = 4.26451460758689 | erot = 4.69009499467528 | epot = -35.1021143238348 | etot = -26.1475047215727 +458000 ekin = 4.31289289804763 | erot = 4.48148846421258 | epot = -35.1135359976466 | etot = -26.3191546353864 +459000 ekin = 4.40924309472714 | erot = 4.70052929057868 | epot = -35.3709113999309 | etot = -26.2611390146251 +460000 ekin = 4.47691183250296 | erot = 4.50574141189019 | epot = -35.566195356935 | etot = -26.5835421125418 +461000 ekin = 4.43873436995011 | erot = 4.99077626253916 | epot = -35.6310455171599 | etot = -26.2015348846706 +462000 ekin = 4.38932525316365 | erot = 4.94989100042644 | epot = -35.7174404682254 | etot = -26.3782242146353 +463000 ekin = 4.36115268480796 | erot = 5.66229263913986 | epot = -35.782873692384 | etot = -25.7594283684361 +464000 ekin = 4.32411863133124 | erot = 5.21874712372938 | epot = -35.8318174183589 | etot = -26.2889516632982 +465000 ekin = 4.25283049437862 | erot = 4.8931192840781 | epot = -35.8307748329833 | etot = -26.6848250545266 +466000 ekin = 3.97961054012235 | erot = 4.30523919521523 | epot = -35.8019205162808 | etot = -27.5170707809433 +467000 ekin = 3.96957942645156 | erot = 4.02414635207124 | epot = -35.7935881476342 | etot = -27.7998623691114 +468000 ekin = 3.81067149059143 | erot = 3.9131157389001 | epot = -35.819204604463 | etot = -28.0954173749715 +469000 ekin = 3.82956653035967 | erot = 3.76358708523009 | epot = -35.8554657317441 | etot = -28.2623121161543 +470000 ekin = 3.84315155223098 | erot = 3.46319185355978 | epot = -35.9283028420653 | etot = -28.6219594362746 +471000 ekin = 3.8418988592029 | erot = 3.51787257644846 | epot = -36.0370536568195 | etot = -28.6772822211681 +472000 ekin = 3.86861114122384 | erot = 3.36458500068064 | epot = -36.1368322989854 | etot = -28.9036361570809 +473000 ekin = 3.73700168734246 | erot = 3.58329228877727 | epot = -36.2233655143222 | etot = -28.9030715382025 +474000 ekin = 3.82928273613545 | erot = 3.70070391401538 | epot = -36.2919855352844 | etot = -28.7619988851335 +475000 ekin = 3.89544030960044 | erot = 3.76401640046801 | epot = -36.3684307389009 | etot = -28.7089740288324 +476000 ekin = 4.0893276711336 | erot = 3.70907901754989 | epot = -36.4684310716314 | etot = -28.6700243829479 +477000 ekin = 4.15334136664104 | erot = 3.70899967496297 | epot = -36.5311600367348 | etot = -28.6688189951308 +478000 ekin = 4.07512882728816 | erot = 3.80913887771415 | epot = -36.5715417700048 | etot = -28.6872740650025 +479000 ekin = 3.96184225144677 | erot = 3.6758426322944 | epot = -36.6049454628525 | etot = -28.9672605791113 +480000 ekin = 3.86072911979603 | erot = 3.85211085064388 | epot = -36.610629225252 | etot = -28.8977892548121 +481000 ekin = 3.78563823255496 | erot = 4.024314099233 | epot = -36.6044682584304 | etot = -28.7945159266424 +482000 ekin = 3.81986353724786 | erot = 3.94457553240304 | epot = -36.5556242495873 | etot = -28.7911851799364 +483000 ekin = 3.91937069687011 | erot = 3.97985471481356 | epot = -36.4953515335744 | etot = -28.5961261218907 +484000 ekin = 3.90565472316292 | erot = 3.68508276016196 | epot = -36.426514232721 | etot = -28.8357767493961 +485000 ekin = 3.97067640669154 | erot = 3.52818833629947 | epot = -36.3385351029693 | etot = -28.8396703599783 +486000 ekin = 4.08924338068675 | erot = 3.45150371793067 | epot = -36.2407040808296 | etot = -28.6999569822122 +487000 ekin = 4.07761729530311 | erot = 3.69577064304002 | epot = -36.1174543397078 | etot = -28.3440664013647 +488000 ekin = 3.98120330041688 | erot = 4.01179749212345 | epot = -35.9662140009127 | etot = -27.9732132083724 +489000 ekin = 3.94304108511324 | erot = 4.09948585344502 | epot = -35.8365811443688 | etot = -27.7940542058105 +490000 ekin = 3.98200750178142 | erot = 4.19330655565614 | epot = -35.7436522395709 | etot = -27.5683381821333 +491000 ekin = 4.0445360131927 | erot = 4.06864604679586 | epot = -35.6813038605064 | etot = -27.5681218005179 +492000 ekin = 4.10478194610759 | erot = 4.27931273272407 | epot = -35.6201850620984 | etot = -27.2360903832667 +493000 ekin = 4.14218811078688 | erot = 4.30328516243005 | epot = -35.5529321721737 | etot = -27.1074588989568 +494000 ekin = 4.15483197917442 | erot = 4.22087230768742 | epot = -35.5007035923716 | etot = -27.1249993055097 +495000 ekin = 4.26671892357353 | erot = 4.2174513730416 | epot = -35.4450128389817 | etot = -26.9608425423665 +496000 ekin = 4.42373869014864 | erot = 3.65535322096919 | epot = -35.3933064942846 | etot = -27.3142145831668 +497000 ekin = 4.57363309591074 | erot = 3.63766344362461 | epot = -35.3630685420969 | etot = -27.1517720025615 +498000 ekin = 4.7241733979429 | erot = 3.40665904233571 | epot = -35.3570714026405 | etot = -27.2262389623619 +499000 ekin = 4.76806375994884 | erot = 3.58204839805338 | epot = -35.3646341268605 | etot = -27.0145219688582 +500000 ekin = 4.86803273232494 | erot = 3.40069391727077 | epot = -35.4199817543288 | etot = -27.1512551047331 +501000 ekin = 4.96743307602633 | erot = 3.46724128896382 | epot = -35.4970649677138 | etot = -27.0623906027237 +502000 ekin = 4.91929166862602 | erot = 3.57165212036747 | epot = -35.5889625489531 | etot = -27.0980187599596 +503000 ekin = 4.90703913138654 | erot = 3.86458875313982 | epot = -35.6771862828243 | etot = -26.9055583982979 +504000 ekin = 5.13705335061953 | erot = 3.53695462968337 | epot = -35.7347477259475 | etot = -27.0607397456447 +505000 ekin = 5.23249143944192 | erot = 3.46343104093346 | epot = -35.7820571844978 | etot = -27.0861347041225 +506000 ekin = 5.11675278315682 | erot = 3.72067186509955 | epot = -35.8198968197669 | etot = -26.9824721715105 +507000 ekin = 5.18993901387439 | erot = 4.1521508584772 | epot = -35.8269271672407 | etot = -26.4848372948891 +508000 ekin = 4.98597878226577 | erot = 4.11598571894018 | epot = -35.7826195676297 | etot = -26.6806550664237 +509000 ekin = 4.89412425677653 | erot = 4.30807642739921 | epot = -35.6890852058576 | etot = -26.4868845216819 +510000 ekin = 4.89504815268988 | erot = 4.4601383758423 | epot = -35.589321566643 | etot = -26.2341350381108 +511000 ekin = 4.85835750083372 | erot = 4.41721118692769 | epot = -35.4748886415738 | etot = -26.1993199538124 +512000 ekin = 4.85632567301955 | erot = 4.5850146787013 | epot = -35.3170557845391 | etot = -25.8757154328183 +513000 ekin = 4.79088228903384 | erot = 4.41898249223044 | epot = -35.1398620511897 | etot = -25.9299972699254 +514000 ekin = 4.84082723167301 | erot = 4.10048582144458 | epot = -34.9528940279417 | etot = -26.0115809748241 +515000 ekin = 4.66396867258878 | erot = 3.70795325472635 | epot = -34.8081323279138 | etot = -26.4362104005987 +516000 ekin = 4.45203722260375 | erot = 3.7424161749216 | epot = -34.7399422586779 | etot = -26.5454888611526 +517000 ekin = 4.39320763550285 | erot = 3.61293763489201 | epot = -34.7115969229747 | etot = -26.7054516525798 +518000 ekin = 4.33516267423081 | erot = 3.46685163663661 | epot = -34.720559171622 | etot = -26.9185448607546 +519000 ekin = 4.32678001120794 | erot = 3.83331308599435 | epot = -34.7543932584756 | etot = -26.5943001612733 +520000 ekin = 4.16017569753271 | erot = 3.9944210337637 | epot = -34.7797387277814 | etot = -26.625141996485 +521000 ekin = 4.01091284601559 | erot = 4.71227661622668 | epot = -34.8119764016186 | etot = -26.0887869393764 +522000 ekin = 3.92555868149862 | erot = 4.67306017627902 | epot = -34.8638412525405 | etot = -26.2652223947629 +523000 ekin = 4.10629342994171 | erot = 4.23690821219818 | epot = -34.9392637364657 | etot = -26.5960620943258 +524000 ekin = 4.1696440613856 | erot = 4.51539305326675 | epot = -35.0302476439302 | etot = -26.3452105292779 +525000 ekin = 4.14574067413424 | erot = 4.59255192964534 | epot = -35.1665459803978 | etot = -26.4282533766182 +526000 ekin = 4.29635804775357 | erot = 5.38181203699227 | epot = -35.3702076593234 | etot = -25.6920375745776 +527000 ekin = 4.43341423246316 | erot = 5.4208701656537 | epot = -35.5881352754175 | etot = -25.7338508773006 +528000 ekin = 4.65221997264034 | erot = 5.64432261927448 | epot = -35.7907306535607 | etot = -25.4941880616459 +529000 ekin = 4.75833001518884 | erot = 6.22279494556851 | epot = -35.9649272181715 | etot = -24.9838022574141 +530000 ekin = 4.85254900576381 | erot = 6.26630645812944 | epot = -36.1175112827236 | etot = -24.9986558188304 +531000 ekin = 4.88314038497963 | erot = 6.22256761998181 | epot = -36.2218727030893 | etot = -25.1161646981279 +532000 ekin = 4.89429192132453 | erot = 6.19376619305378 | epot = -36.2791850407377 | etot = -25.1911269263594 +533000 ekin = 4.98074956905508 | erot = 6.71246035574299 | epot = -36.2873072492243 | etot = -24.5940973244262 +534000 ekin = 5.05914514163858 | erot = 6.72049132345737 | epot = -36.2541186702092 | etot = -24.4744822051133 +535000 ekin = 4.98307281629278 | erot = 6.60876507020557 | epot = -36.1722591997822 | etot = -24.5804213132839 +536000 ekin = 4.92092214615514 | erot = 6.71824597922614 | epot = -36.0492643890662 | etot = -24.4100962636849 +537000 ekin = 4.73594122849326 | erot = 6.46069540815287 | epot = -35.9116294607657 | etot = -24.7149928241196 +538000 ekin = 4.79280389212897 | erot = 6.10794151385135 | epot = -35.7423046160132 | etot = -24.8415592100329 +539000 ekin = 4.77579753855637 | erot = 5.9721718852028 | epot = -35.533600981652 | etot = -24.7856315578928 +540000 ekin = 4.59343353220661 | erot = 6.02882315943306 | epot = -35.2969540919923 | etot = -24.6746974003527 +541000 ekin = 4.56261508857308 | erot = 5.60884609986364 | epot = -35.0742414984787 | etot = -24.9027803100419 +542000 ekin = 4.42304079078362 | erot = 5.24180126466464 | epot = -34.8728664426876 | etot = -25.2080243872393 +543000 ekin = 4.31458565966317 | erot = 5.30648118805705 | epot = -34.6809264080033 | etot = -25.0598595602831 +544000 ekin = 4.16990383767329 | erot = 5.09480741715239 | epot = -34.5077033118773 | etot = -25.2429920570516 +545000 ekin = 4.0350640414587 | erot = 4.95913193735204 | epot = -34.3738505570895 | etot = -25.3796545782788 +546000 ekin = 4.05283758597051 | erot = 4.62357416672448 | epot = -34.2732549004478 | etot = -25.5968431477528 +547000 ekin = 3.91892476341122 | erot = 4.42471065792707 | epot = -34.1888485564157 | etot = -25.8452131350775 +548000 ekin = 3.85923648383067 | erot = 4.18493881932566 | epot = -34.1251823218199 | etot = -26.0810070186636 +549000 ekin = 3.8927709556134 | erot = 4.20183962759803 | epot = -34.0968256559691 | etot = -26.0022150727577 +550000 ekin = 3.88489313663799 | erot = 4.06987350840239 | epot = -34.0834989925537 | etot = -26.1287323475133 +551000 ekin = 3.87639970039868 | erot = 4.25043058335745 | epot = -34.0931086790782 | etot = -25.966278395322 +552000 ekin = 3.88627319211786 | erot = 4.00102033547709 | epot = -34.1638602914377 | etot = -26.2765667638428 +553000 ekin = 4.05569156373879 | erot = 3.56403629580222 | epot = -34.247483486424 | etot = -26.627755626883 +554000 ekin = 4.2562683800156 | erot = 3.70804766862547 | epot = -34.2954308218039 | etot = -26.3311147731628 +555000 ekin = 4.2648740703529 | erot = 3.78496110408358 | epot = -34.3412268896543 | etot = -26.2913917152178 +556000 ekin = 4.24622902964984 | erot = 4.0345482038853 | epot = -34.3344093396379 | etot = -26.0536321061027 +557000 ekin = 4.07319669837868 | erot = 3.86372668854368 | epot = -34.2640157691761 | etot = -26.3270923822537 +558000 ekin = 3.99489306447001 | erot = 3.82027814531877 | epot = -34.1455461859517 | etot = -26.3303749761629 +559000 ekin = 4.00179663426026 | erot = 3.82651776959122 | epot = -33.9924674804774 | etot = -26.1641530766259 +560000 ekin = 3.90938418270038 | erot = 3.49539199637374 | epot = -33.8018928207122 | etot = -26.3971166416381 +561000 ekin = 3.70375196060242 | erot = 3.38165869548244 | epot = -33.6157331642902 | etot = -26.5303225082053 +562000 ekin = 3.64392595608208 | erot = 3.67997084627168 | epot = -33.4612560312997 | etot = -26.1373592289459 +563000 ekin = 3.59769761679666 | erot = 3.74125845764501 | epot = -33.3480734777506 | etot = -26.0091174033089 +564000 ekin = 3.5872532535469 | erot = 3.35524020938125 | epot = -33.2675171968359 | etot = -26.3250237339077 +565000 ekin = 3.63835964444035 | erot = 3.77402574563864 | epot = -33.2409015523647 | etot = -25.8285161622857 +566000 ekin = 3.64384501808487 | erot = 3.7751512348732 | epot = -33.2503593116355 | etot = -25.8313630586774 +567000 ekin = 3.6321441767138 | erot = 3.8685448978813 | epot = -33.2603190278778 | etot = -25.7596299532827 +568000 ekin = 3.76759211618971 | erot = 3.97321014856349 | epot = -33.2947231384392 | etot = -25.553920873686 +569000 ekin = 3.75607920629668 | erot = 3.9189350411434 | epot = -33.3766443391882 | etot = -25.7016300917481 +570000 ekin = 3.88570178164772 | erot = 3.87013370061556 | epot = -33.4676246266775 | etot = -25.7117891444142 +571000 ekin = 3.91109063039641 | erot = 4.3887336637963 | epot = -33.5301619269295 | etot = -25.2303376327368 +572000 ekin = 3.91357367536979 | erot = 4.54669425634091 | epot = -33.5613071721028 | etot = -25.1010392403921 +573000 ekin = 4.00256460245984 | erot = 4.69928602914621 | epot = -33.5479654090577 | etot = -24.8461147774517 +574000 ekin = 4.04557469411533 | erot = 4.85104808888571 | epot = -33.4823141367214 | etot = -24.5856913537203 +575000 ekin = 4.0199044833131 | erot = 4.48360936846638 | epot = -33.4090682352886 | etot = -24.9055543835092 +576000 ekin = 3.80770420634942 | erot = 4.40902984739946 | epot = -33.3559765416152 | etot = -25.1392424878663 +577000 ekin = 3.6517677072366 | erot = 4.69770290650927 | epot = -33.3414847753623 | etot = -24.9920141616164 +578000 ekin = 3.65416507269722 | erot = 5.09984939028998 | epot = -33.3628873386869 | etot = -24.6088728756997 +579000 ekin = 3.65457514215454 | erot = 4.83085466504592 | epot = -33.4229058723711 | etot = -24.9374760651706 +580000 ekin = 3.61022362260481 | erot = 5.21507039569769 | epot = -33.5257015423975 | etot = -24.700407524095 +581000 ekin = 3.49491427592295 | erot = 5.80898315058308 | epot = -33.6374701054959 | etot = -24.3335726789899 +582000 ekin = 3.45150652331289 | erot = 5.2079729472947 | epot = -33.7413132898281 | etot = -25.0818338192205 +583000 ekin = 3.43883253778232 | erot = 4.99240818298342 | epot = -33.7992206024429 | etot = -25.3679798816772 +584000 ekin = 3.41950743994087 | erot = 5.30429667829858 | epot = -33.8273198616881 | etot = -25.1035157434487 +585000 ekin = 3.52988736379348 | erot = 5.26888625710225 | epot = -33.8562169326849 | etot = -25.0574433117891 +586000 ekin = 3.54522421505718 | erot = 5.15182886320371 | epot = -33.8748034063863 | etot = -25.1777503281254 +587000 ekin = 3.64975640444384 | erot = 4.43116878399003 | epot = -33.8790223191813 | etot = -25.7980971307475 +588000 ekin = 3.85787406303082 | erot = 4.33848995606314 | epot = -33.9012642894904 | etot = -25.7049002703965 +589000 ekin = 3.9487150884209 | erot = 4.36958758855423 | epot = -33.9512157067315 | etot = -25.6329130297563 +590000 ekin = 4.04576150007675 | erot = 4.34777620153069 | epot = -33.9849374243128 | etot = -25.5913997227054 +591000 ekin = 4.13483818439914 | erot = 4.28475308123698 | epot = -33.9975372243776 | etot = -25.5779459587414 +592000 ekin = 4.2556680414864 | erot = 4.00241438742696 | epot = -33.990517302247 | etot = -25.7324348733336 +593000 ekin = 4.26695504286551 | erot = 3.75133860519216 | epot = -33.9824243028376 | etot = -25.9641306547799 +594000 ekin = 4.24513038558056 | erot = 3.88826331815755 | epot = -33.9597952629293 | etot = -25.8264015591912 +595000 ekin = 4.33307108334646 | erot = 3.92609577318174 | epot = -33.9197199407777 | etot = -25.6605530842495 +596000 ekin = 4.23611726585149 | erot = 3.89070717461491 | epot = -33.8740124837561 | etot = -25.7471880432897 +597000 ekin = 4.40233879096614 | erot = 3.9973813082447 | epot = -33.8902431987866 | etot = -25.4905230995758 +598000 ekin = 4.23795477390351 | erot = 4.04526003588007 | epot = -33.9155939268417 | etot = -25.6323791170582 +599000 ekin = 4.13745802989045 | erot = 3.88641709707911 | epot = -33.9296772436184 | etot = -25.9058021166489 +600000 ekin = 4.21239990479469 | erot = 3.82373814742802 | epot = -33.9651236246 | etot = -25.9289855723773 +601000 ekin = 4.3196997334027 | erot = 3.98399943561167 | epot = -34.0172721411615 | etot = -25.7135729721471 +602000 ekin = 4.27803621196727 | erot = 4.02063732656524 | epot = -34.100698422985 | etot = -25.8020248844525 +603000 ekin = 4.31016670434268 | erot = 4.06109056998715 | epot = -34.2290225355021 | etot = -25.8577652611723 +604000 ekin = 4.35436231281196 | erot = 4.27081433433549 | epot = -34.3693989473758 | etot = -25.7442223002283 +605000 ekin = 4.29263786573731 | erot = 4.35816455015996 | epot = -34.5293522620234 | etot = -25.8785498461262 +606000 ekin = 4.23493766333436 | erot = 4.45889694601822 | epot = -34.6959569640143 | etot = -26.0021223546617 +607000 ekin = 4.21589668454932 | erot = 4.35851580050772 | epot = -34.8643734064673 | etot = -26.2899609214103 +608000 ekin = 4.31617609118378 | erot = 4.3711843404177 | epot = -35.0106665625392 | etot = -26.3233061309377 +609000 ekin = 4.40054829762945 | erot = 4.09556922746408 | epot = -35.1090427558591 | etot = -26.6129252307656 +610000 ekin = 4.3836017973497 | erot = 4.43080811091093 | epot = -35.1590130940816 | etot = -26.344603185821 +611000 ekin = 4.30911071721019 | erot = 4.66858603342393 | epot = -35.1997741362033 | etot = -26.2220773855692 +612000 ekin = 4.38115044344101 | erot = 4.62952065066664 | epot = -35.2189008927601 | etot = -26.2082297986524 +613000 ekin = 4.49640333428488 | erot = 4.73033949191661 | epot = -35.2311946320133 | etot = -26.0044518058118 +614000 ekin = 4.42698019674918 | erot = 4.54387450238904 | epot = -35.227024565465 | etot = -26.2561698663268 +615000 ekin = 4.36293882049166 | erot = 4.65167437175536 | epot = -35.250009814436 | etot = -26.235396622189 +616000 ekin = 4.25552094369167 | erot = 3.9677335799062 | epot = -35.262646565401 | etot = -27.0393920418031 +617000 ekin = 4.02844203107201 | erot = 3.93306028038377 | epot = -35.3085438772361 | etot = -27.3470415657803 +618000 ekin = 3.91410624199631 | erot = 3.99915504239052 | epot = -35.3773572154985 | etot = -27.4640959311117 +619000 ekin = 3.92944334041051 | erot = 3.65858234543171 | epot = -35.4549579850513 | etot = -27.8669322992091 +620000 ekin = 3.94632769198491 | erot = 4.05357915876533 | epot = -35.5452298743848 | etot = -27.5453230236346 +621000 ekin = 4.00876452457166 | erot = 4.1855795236138 | epot = -35.6568787558288 | etot = -27.4625347076433 +622000 ekin = 3.97770547832637 | erot = 4.20428409244743 | epot = -35.7853832130653 | etot = -27.6033936422915 +623000 ekin = 3.8762340917962 | erot = 4.44200976918091 | epot = -35.9345595163545 | etot = -27.6163156553774 +624000 ekin = 3.81461749379632 | erot = 4.73413928443226 | epot = -36.0610458736423 | etot = -27.5122890954137 +625000 ekin = 3.8970241751503 | erot = 4.51967995490342 | epot = -36.1593702506674 | etot = -27.7426661206137 +626000 ekin = 4.05285181951198 | erot = 5.1220971455114 | epot = -36.2373709478026 | etot = -27.0624219827792 +627000 ekin = 4.06919694856985 | erot = 5.16853241383701 | epot = -36.2459696084315 | etot = -27.0082402460246 +628000 ekin = 3.97574634490127 | erot = 5.15377915037519 | epot = -36.1860007276685 | etot = -27.0564752323921 +629000 ekin = 3.97847076093846 | erot = 4.98743417354896 | epot = -36.0841602963358 | etot = -27.1182553618484 +630000 ekin = 3.82117049554739 | erot = 4.72915936447924 | epot = -35.9627884752438 | etot = -27.4124586152171 +631000 ekin = 3.86461141431221 | erot = 4.86154549634944 | epot = -35.8061457051957 | etot = -27.079988794534 +632000 ekin = 3.74664734149851 | erot = 4.54810894057643 | epot = -35.6214135997296 | etot = -27.3266573176547 +633000 ekin = 3.70561564688244 | erot = 3.84492477779421 | epot = -35.4366028892501 | etot = -27.8860624645735 +634000 ekin = 3.59215409071661 | erot = 3.93871515972471 | epot = -35.2896538627899 | etot = -27.7587846123486 +635000 ekin = 3.50545587494383 | erot = 4.06717110382211 | epot = -35.1730596180146 | etot = -27.6004326392486 +636000 ekin = 3.3309454150286 | erot = 4.07821458070327 | epot = -35.1077038533349 | etot = -27.6985438576031 +637000 ekin = 3.14505217998963 | erot = 4.05756077132584 | epot = -35.1055524080615 | etot = -27.902939456746 +638000 ekin = 3.09050584392239 | erot = 4.40258652090821 | epot = -35.1570633539889 | etot = -27.6639709891583 +639000 ekin = 3.0768733321709 | erot = 4.16491810908563 | epot = -35.2467836386719 | etot = -28.0049921974154 +640000 ekin = 3.00973730805073 | erot = 4.2692418133335 | epot = -35.3354522376085 | etot = -28.0564731162243 +641000 ekin = 2.94445196408833 | erot = 4.64391413205119 | epot = -35.4644644387967 | etot = -27.8760983426572 +642000 ekin = 2.98442414954633 | erot = 4.9974755612433 | epot = -35.6290057034216 | etot = -27.647105992632 +643000 ekin = 3.2055646953209 | erot = 4.8025531791329 | epot = -35.7795885297939 | etot = -27.7714706553401 +644000 ekin = 3.2748821402377 | erot = 4.64957731616621 | epot = -35.9161733239261 | etot = -27.9917138675222 +645000 ekin = 3.41323831995007 | erot = 4.71321420527612 | epot = -36.0213663956164 | etot = -27.8949138703902 +646000 ekin = 3.56963422518167 | erot = 4.46391006184254 | epot = -36.0597764612018 | etot = -28.0262321741776 +647000 ekin = 3.65146108953765 | erot = 4.34882885781933 | epot = -36.05397385258 | etot = -28.053683905223 +648000 ekin = 3.80589253043839 | erot = 4.22505125234649 | epot = -35.9957895068647 | etot = -27.9648457240799 +649000 ekin = 4.01844415748841 | erot = 4.19109412255817 | epot = -35.9180061331759 | etot = -27.7084678531293 +650000 ekin = 4.03810277748572 | erot = 3.86362623058913 | epot = -35.8260490160444 | etot = -27.9243200079695 +651000 ekin = 4.14203944570719 | erot = 3.56888807374706 | epot = -35.7087423281397 | etot = -27.9978148086855 +652000 ekin = 4.23250261214715 | erot = 3.18710224409382 | epot = -35.6367851174034 | etot = -28.2171802611624 +653000 ekin = 4.36352642926009 | erot = 3.20148998566011 | epot = -35.6464209942557 | etot = -28.0814045793355 +654000 ekin = 4.5279203243997 | erot = 3.02237039454743 | epot = -35.6995719521313 | etot = -28.1492812331841 +655000 ekin = 4.60546960877517 | erot = 2.96007185178719 | epot = -35.8223013228812 | etot = -28.2567598623188 +656000 ekin = 4.78956137676064 | erot = 3.38896158834621 | epot = -35.9826527468557 | etot = -27.8041297817489 +657000 ekin = 4.78481247088243 | erot = 3.67040934516473 | epot = -36.1522101931049 | etot = -27.6969883770578 +658000 ekin = 4.68735602442224 | erot = 4.10635530609359 | epot = -36.3122539915072 | etot = -27.5185426609914 +659000 ekin = 4.79643464434907 | erot = 4.3109166795532 | epot = -36.419822200132 | etot = -27.3124708762297 +660000 ekin = 4.65613606555515 | erot = 4.00182169137307 | epot = -36.5017357753405 | etot = -27.8437780184123 +661000 ekin = 4.53939481189422 | erot = 4.39327864100633 | epot = -36.5522379560179 | etot = -27.6195645031173 +662000 ekin = 4.62075189021993 | erot = 4.64171304234686 | epot = -36.5458752748482 | etot = -27.2834103422814 +663000 ekin = 4.60627251324235 | erot = 4.44191382325803 | epot = -36.5358428119696 | etot = -27.4876564754693 +664000 ekin = 4.53224877457463 | erot = 4.69535654970068 | epot = -36.5440045789042 | etot = -27.3163992546289 +665000 ekin = 4.33791904761007 | erot = 4.79511074251925 | epot = -36.5712979957099 | etot = -27.4382682055805 +666000 ekin = 4.01034004769843 | erot = 5.14475630277467 | epot = -36.6275167021873 | etot = -27.4724203517142 +667000 ekin = 3.92791037721622 | erot = 5.11805894759237 | epot = -36.702269731521 | etot = -27.6563004067124 +668000 ekin = 3.69207242860568 | erot = 4.95115852091685 | epot = -36.7748284431555 | etot = -28.1315974936329 +669000 ekin = 3.52850414694839 | erot = 5.30513713121047 | epot = -36.8468924103841 | etot = -28.0132511322252 +670000 ekin = 3.43685158392413 | erot = 5.67353767341476 | epot = -36.8571678878591 | etot = -27.7467786305202 +671000 ekin = 3.37237891900207 | erot = 4.81383151363256 | epot = -36.7898772614734 | etot = -28.6036668288388 +672000 ekin = 3.4214286448957 | erot = 4.47410705082151 | epot = -36.6509805759937 | etot = -28.7554448802765 +673000 ekin = 3.47620696197726 | erot = 4.53468812753541 | epot = -36.4695914666411 | etot = -28.4586963771284 +674000 ekin = 3.34015467342477 | erot = 4.56003540036704 | epot = -36.2728042740009 | etot = -28.3726142002091 +675000 ekin = 3.26558121431926 | erot = 4.75716318196978 | epot = -36.0812448824919 | etot = -28.0585004862029 +676000 ekin = 3.30557173090095 | erot = 4.66626180335478 | epot = -35.8858133485377 | etot = -27.9139798142819 +677000 ekin = 3.38252137148669 | erot = 4.6897922284426 | epot = -35.7238379181691 | etot = -27.6515243182398 +678000 ekin = 3.33430766992633 | erot = 4.45636421682294 | epot = -35.5898515746333 | etot = -27.799179687884 +679000 ekin = 3.26716522041019 | erot = 4.13643141690213 | epot = -35.528216056043 | etot = -28.1246194187307 +680000 ekin = 3.22330491222221 | erot = 4.11355311991397 | epot = -35.5522418172928 | etot = -28.2153837851566 +681000 ekin = 3.27654998707768 | erot = 4.40088508884104 | epot = -35.6343431031197 | etot = -27.956908027201 +682000 ekin = 3.38403402082966 | erot = 4.64957783602955 | epot = -35.7255960652577 | etot = -27.6919842083985 +683000 ekin = 3.58392532059449 | erot = 4.15499488835506 | epot = -35.8541956283831 | etot = -28.1152754194335 +684000 ekin = 3.63284008875691 | erot = 4.14497212696397 | epot = -36.0448350473496 | etot = -28.2670228316288 +685000 ekin = 3.75538152185656 | erot = 3.95609692494439 | epot = -36.2462524041832 | etot = -28.5347739573822 +686000 ekin = 3.91883145536709 | erot = 3.95298902028767 | epot = -36.4771155861902 | etot = -28.6052951105355 +687000 ekin = 4.05299881159141 | erot = 4.06027810523496 | epot = -36.7169526369127 | etot = -28.6036757200863 +688000 ekin = 4.13599667613283 | erot = 4.1033148925446 | epot = -36.9524101670391 | etot = -28.7130985983616 +689000 ekin = 4.25987754434121 | erot = 4.14481492316592 | epot = -37.19007759108 | etot = -28.7853851235729 +690000 ekin = 4.43074027682468 | erot = 4.04380513304424 | epot = -37.3931354089483 | etot = -28.9185899990794 +691000 ekin = 4.53821721573662 | erot = 3.80503345899004 | epot = -37.5576014163155 | etot = -29.2143507415889 +692000 ekin = 4.6415004277931 | erot = 3.59872997928144 | epot = -37.6895260553275 | etot = -29.449295648253 +693000 ekin = 4.69075885893 | erot = 3.47578918601706 | epot = -37.8114874122422 | etot = -29.6449393672951 +694000 ekin = 4.73822518662626 | erot = 3.8426375014852 | epot = -37.9027003996531 | etot = -29.3218377115416 +695000 ekin = 4.75494194627987 | erot = 3.78113333862433 | epot = -37.9681336831655 | etot = -29.4320583982613 +696000 ekin = 4.69786608199271 | erot = 3.785268211759 | epot = -38.0084908313003 | etot = -29.5253565375486 +697000 ekin = 4.69854328160514 | erot = 3.62432955932676 | epot = -38.0258612384502 | etot = -29.7029883975183 +698000 ekin = 4.71023285872909 | erot = 3.64111389234157 | epot = -38.030154734076 | etot = -29.6788079830054 +699000 ekin = 4.56773244343976 | erot = 3.71983710702499 | epot = -38.0529467082193 | etot = -29.7653771577546 +700000 ekin = 4.43155866208691 | erot = 3.53355461960284 | epot = -38.0685834921134 | etot = -30.1034702104236 +701000 ekin = 4.47548631411736 | erot = 3.38963138436219 | epot = -38.0500116139815 | etot = -30.184893915502 +702000 ekin = 4.46550513016984 | erot = 3.66852889097277 | epot = -38.0164512923402 | etot = -29.8824172711975 +703000 ekin = 4.38742906998813 | erot = 3.97599599383721 | epot = -37.9817705180946 | etot = -29.6183454542693 +704000 ekin = 4.41020682713676 | erot = 3.83147838533281 | epot = -37.9674346241365 | etot = -29.725749411667 +705000 ekin = 4.39308990786441 | erot = 3.75664217186778 | epot = -37.9282520396871 | etot = -29.7785199599549 +706000 ekin = 4.43040906703156 | erot = 4.12756254176888 | epot = -37.8939279543826 | etot = -29.3359563455822 +707000 ekin = 4.51700671633646 | erot = 3.77573523129449 | epot = -37.8444471024437 | etot = -29.5517051548127 +708000 ekin = 4.49065124304534 | erot = 3.88552877104003 | epot = -37.7744800646504 | etot = -29.3983000505651 +709000 ekin = 4.41855498291445 | erot = 3.53582586052311 | epot = -37.6656825257611 | etot = -29.7113016823236 +710000 ekin = 4.40535258977283 | erot = 3.3964950268898 | epot = -37.5466939944653 | etot = -29.7448463778027 +711000 ekin = 4.32709544005249 | erot = 3.54995473848094 | epot = -37.3866324258479 | etot = -29.5095822473145 +712000 ekin = 4.40620309390877 | erot = 3.71557442538528 | epot = -37.1793914331048 | etot = -29.0576139138107 +713000 ekin = 4.39226105260192 | erot = 3.64956114520319 | epot = -36.9592491146157 | etot = -28.9174269168105 +714000 ekin = 4.39459047651044 | erot = 3.58799428596579 | epot = -36.784410906283 | etot = -28.8018261438068 +715000 ekin = 4.41458674942589 | erot = 4.01850565037392 | epot = -36.5924446920393 | etot = -28.1593522922395 +716000 ekin = 4.33665938530708 | erot = 3.50452219695686 | epot = -36.4143425377368 | etot = -28.5731609554728 +717000 ekin = 4.18088462864047 | erot = 3.21190204008997 | epot = -36.2481677379303 | etot = -28.8553810691999 +718000 ekin = 4.03231025467833 | erot = 2.91104295996759 | epot = -36.1402693367142 | etot = -29.1969161220683 +719000 ekin = 3.97260579411823 | erot = 3.29783620298646 | epot = -36.0849771003503 | etot = -28.8145351032456 +720000 ekin = 3.82567789821304 | erot = 3.46218504309262 | epot = -36.1068353452665 | etot = -28.8189724039609 +721000 ekin = 3.83433718059043 | erot = 4.0308403694784 | epot = -36.186895804643 | etot = -28.3217182545742 +722000 ekin = 3.71300872765614 | erot = 3.84736896155716 | epot = -36.2838656104836 | etot = -28.7234879212703 +723000 ekin = 3.74703466957627 | erot = 3.71040850656838 | epot = -36.3812410760549 | etot = -28.9237978999102 +724000 ekin = 3.75607081603381 | erot = 4.0281353287461 | epot = -36.4992818358977 | etot = -28.7150756911178 +725000 ekin = 3.77808990085843 | erot = 4.20966764087112 | epot = -36.6263500488379 | etot = -28.6385925071083 +726000 ekin = 3.99703012102758 | erot = 3.67945861038329 | epot = -36.7651398392481 | etot = -29.0886511078373 +727000 ekin = 4.01741049095323 | erot = 3.72684228835757 | epot = -36.8887239674892 | etot = -29.1444711881784 +728000 ekin = 4.05655244457443 | erot = 3.64411335656443 | epot = -36.9831032192824 | etot = -29.2824374181435 +729000 ekin = 4.15914112670643 | erot = 3.22368867517317 | epot = -37.0758214193941 | etot = -29.6929916175145 +730000 ekin = 4.27496625989451 | erot = 3.03434396509882 | epot = -37.1060663359391 | etot = -29.7967561109457 +731000 ekin = 4.35621946146852 | erot = 3.31453862248439 | epot = -37.0811379025033 | etot = -29.4103798185504 +732000 ekin = 4.31460322853995 | erot = 3.19560214587384 | epot = -37.0358028654706 | etot = -29.5255974910568 +733000 ekin = 4.22952267957096 | erot = 3.20037871938027 | epot = -36.9673423522076 | etot = -29.5374409532564 +734000 ekin = 4.24709820971321 | erot = 3.10598269123747 | epot = -36.8800091287789 | etot = -29.5269282278282 +735000 ekin = 4.1498116292607 | erot = 3.12549638567499 | epot = -36.7838119752137 | etot = -29.508503960278 +736000 ekin = 4.20814181481995 | erot = 2.91522500178923 | epot = -36.7063833852254 | etot = -29.5830165686162 +737000 ekin = 4.01828120268363 | erot = 2.4049581257871 | epot = -36.6589611248556 | etot = -30.2357217963849 +738000 ekin = 4.0109403602871 | erot = 2.68632566149121 | epot = -36.6548343802831 | etot = -29.9575683585048 +739000 ekin = 4.14661584174285 | erot = 2.59506078530653 | epot = -36.6780631105762 | etot = -29.9363864835269 +740000 ekin = 4.08413039711058 | erot = 2.5736582399383 | epot = -36.7021237291572 | etot = -30.0443350921083 +741000 ekin = 4.10845660619335 | erot = 2.78416335535289 | epot = -36.7754492326734 | etot = -29.8828292711272 +742000 ekin = 4.09068760907316 | erot = 3.09866824560678 | epot = -36.8187451874514 | etot = -29.6293893327714 +743000 ekin = 3.96610963094549 | erot = 3.04878673776488 | epot = -36.8535622197271 | etot = -29.8386658510168 +744000 ekin = 3.97087885402889 | erot = 3.04950786237749 | epot = -36.8512621314665 | etot = -29.8308754150601 +745000 ekin = 3.78295099566549 | erot = 3.09154774657218 | epot = -36.8410165021283 | etot = -29.9665177598907 +746000 ekin = 3.88442560568566 | erot = 3.15773579416856 | epot = -36.8645704531052 | etot = -29.822409053251 +747000 ekin = 3.94794600572262 | erot = 3.04363515896638 | epot = -36.9228275975809 | etot = -29.9312464328919 +748000 ekin = 3.94186404778415 | erot = 3.24130800398446 | epot = -37.0438118682001 | etot = -29.8606398164315 +749000 ekin = 3.93262026571698 | erot = 3.71710044171245 | epot = -37.2109632789996 | etot = -29.5612425715701 +750000 ekin = 3.82713052636537 | erot = 4.02486049381798 | epot = -37.3854716207176 | etot = -29.5334806005343 +751000 ekin = 4.02336237200016 | erot = 4.23099342037398 | epot = -37.5518597142044 | etot = -29.2975039218302 +752000 ekin = 4.06152925021086 | erot = 3.76231639564706 | epot = -37.6809132611631 | etot = -29.8570676153051 +753000 ekin = 4.07859449791209 | erot = 3.97018598947917 | epot = -37.7593004103711 | etot = -29.7105199229799 +754000 ekin = 4.26771269586489 | erot = 4.64006960442447 | epot = -37.8141557249927 | etot = -28.9063734247033 +755000 ekin = 4.26666906965385 | erot = 4.77784474773988 | epot = -37.8576299963118 | etot = -28.813116178918 +756000 ekin = 4.29131147009744 | erot = 5.38525988164288 | epot = -37.8917845570813 | etot = -28.215213205341 +757000 ekin = 4.35562563894762 | erot = 5.14819699923428 | epot = -37.8935376948419 | etot = -28.38971505666 +758000 ekin = 4.22616249375219 | erot = 5.19713356473893 | epot = -37.8901713134434 | etot = -28.4668752549522 +759000 ekin = 4.24184449957189 | erot = 5.16496183591595 | epot = -37.8881235068914 | etot = -28.4813171714036 +760000 ekin = 4.23424644958513 | erot = 5.47628298706173 | epot = -37.9000330984186 | etot = -28.1895036617718 +761000 ekin = 4.26448749341646 | erot = 5.45907771030601 | epot = -37.9055730645776 | etot = -28.1820078608551 +762000 ekin = 4.22061932798822 | erot = 5.0436907431348 | epot = -37.9108772679059 | etot = -28.6465671967828 +763000 ekin = 4.09989014592177 | erot = 5.10778066514927 | epot = -37.9045250455563 | etot = -28.6968542344852 +764000 ekin = 4.18374834614789 | erot = 5.46818179899542 | epot = -37.8676566747124 | etot = -28.2157265295691 +765000 ekin = 4.08761418374907 | erot = 5.80858388049076 | epot = -37.8033181876414 | etot = -27.9071201234015 +766000 ekin = 4.03999541680448 | erot = 5.48136006660825 | epot = -37.7411893537014 | etot = -28.2198338702887 +767000 ekin = 4.01701285460389 | erot = 5.31665044278878 | epot = -37.6438611160225 | etot = -28.3101978186298 +768000 ekin = 3.97951625205955 | erot = 5.25792422549902 | epot = -37.5214426737365 | etot = -28.284002196178 +769000 ekin = 3.9904400552571 | erot = 5.21175341266104 | epot = -37.3810973556032 | etot = -28.178903887685 +770000 ekin = 3.99199742512011 | erot = 5.21810902470215 | epot = -37.1986211065215 | etot = -27.9885146566993 +771000 ekin = 3.82567851870023 | erot = 4.95130845103881 | epot = -36.9906650314344 | etot = -28.2136780616954 +772000 ekin = 3.72123202682095 | erot = 4.74084322348095 | epot = -36.744551321368 | etot = -28.2824760710661 +773000 ekin = 3.61186619870346 | erot = 4.4876416941515 | epot = -36.4404296878967 | etot = -28.3409217950418 +774000 ekin = 3.53238563321205 | erot = 4.08515606418301 | epot = -36.143048292969 | etot = -28.5255065955739 +775000 ekin = 3.61960121968344 | erot = 4.03007080844248 | epot = -35.8636424209005 | etot = -28.2139703927746 +776000 ekin = 3.50131397859649 | erot = 3.82783005287515 | epot = -35.5938202085502 | etot = -28.2646761770785 +777000 ekin = 3.40867202048171 | erot = 3.85221546935577 | epot = -35.4006619567299 | etot = -28.1397744668925 +778000 ekin = 3.4583803102866 | erot = 3.51853820068406 | epot = -35.2979750992065 | etot = -28.3210565882358 +779000 ekin = 3.42307480041793 | erot = 3.59321040457274 | epot = -35.2809430031739 | etot = -28.2646577981832 +780000 ekin = 3.42440692402583 | erot = 3.60521054559663 | epot = -35.3411249792456 | etot = -28.3115075096232 +781000 ekin = 3.46934151467013 | erot = 3.84731508491239 | epot = -35.4518670976728 | etot = -28.1352104980902 +782000 ekin = 3.52710406680765 | erot = 4.28376670942223 | epot = -35.5950260565868 | etot = -27.7841552803569 +783000 ekin = 3.61729821660962 | erot = 4.75537078140965 | epot = -35.7562125383786 | etot = -27.3835435403593 +784000 ekin = 3.58366553598354 | erot = 4.11380123135017 | epot = -35.8708728516403 | etot = -28.1734060843065 +785000 ekin = 3.63226984987139 | erot = 4.14613629449623 | epot = -35.9549809353062 | etot = -28.1765747909386 +786000 ekin = 3.55353155352182 | erot = 3.96170523540249 | epot = -36.0104316125791 | etot = -28.4951948236547 +787000 ekin = 3.65679390509465 | erot = 4.13482060006107 | epot = -36.0644977241083 | etot = -28.2728832189526 +788000 ekin = 3.867576992853 | erot = 4.10779053552871 | epot = -36.0997261456394 | etot = -28.1243586172577 +789000 ekin = 3.93645468274948 | erot = 4.27766163431813 | epot = -36.1406694170032 | etot = -27.9265530999356 +790000 ekin = 3.99051031327522 | erot = 3.95340487785031 | epot = -36.2018617372684 | etot = -28.2579465461428 +791000 ekin = 4.10452718423531 | erot = 3.99235351847299 | epot = -36.2624115283464 | etot = -28.1655308256382 +792000 ekin = 4.33302884516796 | erot = 3.8304429162741 | epot = -36.3357012610719 | etot = -28.1722294996298 +793000 ekin = 4.59966330091371 | erot = 3.74212535974473 | epot = -36.4314410279298 | etot = -28.0896523672713 +794000 ekin = 4.70509453521945 | erot = 3.73254571552344 | epot = -36.5039677226904 | etot = -28.0663274719476 +795000 ekin = 4.82373501353496 | erot = 3.69936645898632 | epot = -36.5467302591184 | etot = -28.0236287865971 +796000 ekin = 5.02825099690213 | erot = 3.6584589522484 | epot = -36.5441938749352 | etot = -27.8574839257846 +797000 ekin = 4.98369350470429 | erot = 3.33483563015644 | epot = -36.5302539300584 | etot = -28.2117247951976 +798000 ekin = 5.04627515833427 | erot = 3.25184431558307 | epot = -36.5269098314583 | etot = -28.228790357541 +799000 ekin = 4.96165968599483 | erot = 3.39539196017168 | epot = -36.5580084896252 | etot = -28.2009568434587 +800000 ekin = 4.9608728952381 | erot = 3.5493203329157 | epot = -36.6052154994127 | etot = -28.0950222712589 +801000 ekin = 4.96148873220033 | erot = 3.39995120227754 | epot = -36.6619752973789 | etot = -28.300535362901 +802000 ekin = 4.86744715226313 | erot = 3.35338258088214 | epot = -36.694222464791 | etot = -28.4733927316457 +803000 ekin = 4.75056128639555 | erot = 3.25410486957635 | epot = -36.7045390401487 | etot = -28.6998728841768 +804000 ekin = 4.78109129200104 | erot = 3.07765972882934 | epot = -36.6985265194181 | etot = -28.8397754985877 +805000 ekin = 4.82892493818659 | erot = 3.27499533781792 | epot = -36.6737874267385 | etot = -28.5698671507339 +806000 ekin = 4.74542372520125 | erot = 3.18323237798567 | epot = -36.6406513076366 | etot = -28.7119952044497 +807000 ekin = 4.64766139288033 | erot = 3.38424960796029 | epot = -36.647673088396 | etot = -28.6157620875554 +808000 ekin = 4.457078358644 | erot = 3.35175675914238 | epot = -36.7022500935494 | etot = -28.893414975763 +809000 ekin = 4.3267088759155 | erot = 3.32046355515555 | epot = -36.7741824114205 | etot = -29.1270099803495 +810000 ekin = 4.19642960492136 | erot = 3.20396083815701 | epot = -36.8832195227731 | etot = -29.4828290796948 +811000 ekin = 4.18603442116986 | erot = 3.54097838794745 | epot = -37.0402774324891 | etot = -29.3132646233718 +812000 ekin = 4.33190991624128 | erot = 3.67977508149037 | epot = -37.2334955671968 | etot = -29.2218105694651 +813000 ekin = 4.46701990899902 | erot = 3.84749046887853 | epot = -37.477006312962 | etot = -29.1624959350845 +814000 ekin = 4.70593563863401 | erot = 4.02074050200779 | epot = -37.7739765579915 | etot = -29.0473004173497 +815000 ekin = 4.61635561952674 | erot = 4.30893882425501 | epot = -38.0622407069035 | etot = -29.1369462631217 +816000 ekin = 4.66419241223469 | erot = 4.4334841646702 | epot = -38.3533945439941 | etot = -29.2557179670892 +817000 ekin = 4.61492034782231 | erot = 4.85896836140468 | epot = -38.6054729848482 | etot = -29.1315842756212 +818000 ekin = 4.6936135555876 | erot = 4.57560992803624 | epot = -38.8141140205622 | etot = -29.5448905369383 +819000 ekin = 4.99561997491631 | erot = 4.59057590873874 | epot = -38.9861314653861 | etot = -29.399935581731 +820000 ekin = 5.14251771001315 | erot = 4.38257454602503 | epot = -39.111979352787 | etot = -29.5868870967488 +821000 ekin = 5.21211790511143 | erot = 3.76493639645341 | epot = -39.1791873910091 | etot = -30.2021330894442 +822000 ekin = 5.22763747343407 | erot = 3.81993934721836 | epot = -39.2257832500634 | etot = -30.178206429411 +823000 ekin = 5.20824824630262 | erot = 3.61818509207447 | epot = -39.2577442235127 | etot = -30.4313108851356 +824000 ekin = 5.29481176259064 | erot = 3.61607107182839 | epot = -39.2930045776051 | etot = -30.382121743186 +825000 ekin = 5.34590564278881 | erot = 3.47605801675253 | epot = -39.3020776711429 | etot = -30.4801140116015 +826000 ekin = 5.38005087585683 | erot = 3.56002985231115 | epot = -39.2878928900552 | etot = -30.3478121618872 +827000 ekin = 5.38251681844313 | erot = 3.31581026558491 | epot = -39.2838973283757 | etot = -30.5855702443476 +828000 ekin = 5.30162295798738 | erot = 2.79999506814259 | epot = -39.2990437954941 | etot = -31.1974257693642 +829000 ekin = 5.34935471298468 | erot = 2.63380753851503 | epot = -39.3079384502706 | etot = -31.3247761987709 +830000 ekin = 5.15642397228279 | erot = 2.78944963383064 | epot = -39.3294203636004 | etot = -31.383546757487 +831000 ekin = 5.04271329110575 | erot = 3.07984504895767 | epot = -39.3562191308943 | etot = -31.2336607908309 +832000 ekin = 5.04415123872944 | erot = 3.36917057661257 | epot = -39.3458026730645 | etot = -30.9324808577225 +833000 ekin = 4.97652700754312 | erot = 3.1101682681075 | epot = -39.3003589046715 | etot = -31.2136636290209 +834000 ekin = 4.66785324148465 | erot = 2.98799062968242 | epot = -39.2007615011675 | etot = -31.5449176300004 +835000 ekin = 4.41967948410668 | erot = 3.24754240638231 | epot = -39.0370935965111 | etot = -31.3698717060221 +836000 ekin = 4.19399501172609 | erot = 3.40709899396411 | epot = -38.8824429433975 | etot = -31.2813489377073 +837000 ekin = 4.05102708476564 | erot = 3.50403284169295 | epot = -38.729129846576 | etot = -31.1740699201174 +838000 ekin = 3.94991363719696 | erot = 3.82377156946746 | epot = -38.5557937558051 | etot = -30.7821085491406 +839000 ekin = 3.7432666531872 | erot = 3.97324655976193 | epot = -38.3643816043728 | etot = -30.6478683914237 +840000 ekin = 3.70351574528206 | erot = 3.51244886217305 | epot = -38.1559200259223 | etot = -30.9399554184672 +841000 ekin = 3.60547887438337 | erot = 3.69151206405111 | epot = -37.9552189953845 | etot = -30.65822805695 +842000 ekin = 3.38591284745953 | erot = 3.48115901302697 | epot = -37.764748291951 | etot = -30.8976764314645 +843000 ekin = 3.11807787995847 | erot = 3.24962582172167 | epot = -37.5931200484565 | etot = -31.2254163467764 +844000 ekin = 3.03125896851695 | erot = 3.10915311466782 | epot = -37.405355484813 | etot = -31.2649434016282 +845000 ekin = 2.84759324027358 | erot = 3.53115382226828 | epot = -37.2260086331774 | etot = -30.8472615706355 +846000 ekin = 2.83613069836887 | erot = 3.4149752298821 | epot = -37.0853206047919 | etot = -30.8342146765409 +847000 ekin = 2.82518542790846 | erot = 3.9264613760552 | epot = -36.974096592552 | etot = -30.2224497885884 +848000 ekin = 2.80356101967319 | erot = 3.75897131812122 | epot = -36.8749675315762 | etot = -30.3124351937818 +849000 ekin = 2.84159199816781 | erot = 3.65493979263187 | epot = -36.779890805585 | etot = -30.2833590147853 +850000 ekin = 2.91517374365713 | erot = 3.25543936029208 | epot = -36.7388454898329 | etot = -30.5682323858837 +851000 ekin = 3.08764953673658 | erot = 3.74455145978192 | epot = -36.7223642181885 | etot = -29.89016322167 +852000 ekin = 3.20356705871772 | erot = 3.86422941824802 | epot = -36.7413165099177 | etot = -29.6735200329519 +853000 ekin = 3.25796036952201 | erot = 4.25509323905638 | epot = -36.7658517979722 | etot = -29.2527981893938 +854000 ekin = 3.57244822927054 | erot = 4.18969744123878 | epot = -36.8021340521259 | etot = -29.0399883816166 +855000 ekin = 3.61706783412732 | erot = 4.16292249791896 | epot = -36.8626923862677 | etot = -29.0827020542214 +856000 ekin = 3.78538239755829 | erot = 4.1125355160369 | epot = -36.9244661414311 | etot = -29.0265482278359 +857000 ekin = 3.78178847655943 | erot = 4.13628071929874 | epot = -37.0292483027703 | etot = -29.1111791069121 +858000 ekin = 3.79767899411072 | erot = 4.25390024597238 | epot = -37.1883443366299 | etot = -29.1367650965468 +859000 ekin = 3.79646558910104 | erot = 4.39490149090002 | epot = -37.3423128301936 | etot = -29.1509457501926 +860000 ekin = 3.86711139340656 | erot = 4.91957560544927 | epot = -37.4915022932753 | etot = -28.7048152944195 +861000 ekin = 3.99177075241214 | erot = 4.92589410248027 | epot = -37.5868681074752 | etot = -28.6692032525828 +862000 ekin = 4.09777488770542 | erot = 4.85487231115203 | epot = -37.6175250863673 | etot = -28.6648778875099 +863000 ekin = 4.13925231113358 | erot = 4.50896117392437 | epot = -37.5986086016745 | etot = -28.9503951166166 +864000 ekin = 4.14764866587401 | erot = 4.42487018235784 | epot = -37.5204132439135 | etot = -28.9478943956816 +865000 ekin = 4.14664914911124 | erot = 4.25648196395957 | epot = -37.3939280409712 | etot = -28.9907969279004 +866000 ekin = 4.14214320133623 | erot = 4.18089045470408 | epot = -37.2179460829705 | etot = -28.8949124269302 +867000 ekin = 4.2533355578276 | erot = 3.91180056253338 | epot = -37.0368358637648 | etot = -28.8716997434038 +868000 ekin = 4.25544635673599 | erot = 4.03934502097771 | epot = -36.8925237407717 | etot = -28.597732363058 +869000 ekin = 4.24112681076696 | erot = 4.01454747655037 | epot = -36.8084367274639 | etot = -28.5527624401466 +870000 ekin = 4.33478513327969 | erot = 3.78349131070103 | epot = -36.7681636745506 | etot = -28.6498872305699 +871000 ekin = 4.17502061003877 | erot = 3.95421063050501 | epot = -36.789978024709 | etot = -28.6607467841652 +872000 ekin = 4.17603847735387 | erot = 3.83768938083755 | epot = -36.8688005631079 | etot = -28.8550727049165 +873000 ekin = 4.41693719639055 | erot = 4.07505566261771 | epot = -36.9767379853353 | etot = -28.484745126327 +874000 ekin = 4.41295334009066 | erot = 4.18394759913442 | epot = -37.1369142438402 | etot = -28.5400133046152 +875000 ekin = 4.5295533495583 | erot = 4.19580464695389 | epot = -37.3370998777418 | etot = -28.6117418812297 +876000 ekin = 4.61247068682014 | erot = 4.50897081857259 | epot = -37.524834933576 | etot = -28.4033934281833 +877000 ekin = 4.76533246608885 | erot = 4.08201826719388 | epot = -37.6873606048148 | etot = -28.8400098715321 +878000 ekin = 4.86109701096016 | erot = 4.03315572964805 | epot = -37.8092910984796 | etot = -28.9150383578714 +879000 ekin = 4.93322526419341 | erot = 3.94479688456014 | epot = -37.8433128250789 | etot = -28.9652906763253 +880000 ekin = 4.911777192825 | erot = 3.90966953329923 | epot = -37.7988935874835 | etot = -28.9774468613593 +881000 ekin = 4.87595051611175 | erot = 3.76638474533256 | epot = -37.6791282073065 | etot = -29.0367929458622 +882000 ekin = 4.80398792776511 | erot = 3.52725045147228 | epot = -37.4958553191689 | etot = -29.1646169399315 +883000 ekin = 4.56372183805733 | erot = 3.17268134771393 | epot = -37.3026048485139 | etot = -29.5662016627427 +884000 ekin = 4.38408070690437 | erot = 2.95287988074889 | epot = -37.1164899885621 | etot = -29.7795294009088 +885000 ekin = 4.21401267631408 | erot = 3.28627816384396 | epot = -36.9423946246094 | etot = -29.4421037844513 +886000 ekin = 3.94208450895983 | erot = 3.61827008671944 | epot = -36.8244889717529 | etot = -29.2641343760737 +887000 ekin = 3.76025689669472 | erot = 3.89282193563569 | epot = -36.7542446517053 | etot = -29.1011658193749 +888000 ekin = 3.58518173626078 | erot = 4.10918051627477 | epot = -36.7235080282687 | etot = -29.0291457757332 +889000 ekin = 3.52227905598844 | erot = 4.53948895643707 | epot = -36.742334591686 | etot = -28.6805665792605 +890000 ekin = 3.48725850687346 | erot = 4.91651845671102 | epot = -36.81107494511 | etot = -28.4072979815255 +891000 ekin = 3.51807183016393 | erot = 5.36785996033029 | epot = -36.9187079043872 | etot = -28.0327761138929 +892000 ekin = 3.48651441482314 | erot = 5.25687644163395 | epot = -37.0005216584211 | etot = -28.257130801964 +893000 ekin = 3.51467838154865 | erot = 5.65149044087769 | epot = -37.05944534206 | etot = -27.8932765196337 +894000 ekin = 3.45974654612344 | erot = 5.22169711042801 | epot = -37.1020642679859 | etot = -28.4206206114344 +895000 ekin = 3.57216437063283 | erot = 5.4089506797762 | epot = -37.1028729086242 | etot = -28.1217578582152 +896000 ekin = 3.56655921068021 | erot = 5.69090228219818 | epot = -37.070821741523 | etot = -27.8133602486446 +897000 ekin = 3.57757547802829 | erot = 5.90228049359271 | epot = -36.9859514532974 | etot = -27.5060954816764 +898000 ekin = 3.52295514054008 | erot = 5.84538360240597 | epot = -36.8484715408745 | etot = -27.4801327979284 +899000 ekin = 3.42191869063631 | erot = 5.47174915922289 | epot = -36.6856616378147 | etot = -27.7919937879555 +900000 ekin = 3.45720121516806 | erot = 5.59973772512064 | epot = -36.5148133918258 | etot = -27.4578744515371 +901000 ekin = 3.51607619901442 | erot = 5.88763510779773 | epot = -36.2859464010575 | etot = -26.8822350942454 +902000 ekin = 3.56087621117169 | erot = 5.17399063106742 | epot = -36.0621785767848 | etot = -27.3273117345457 +903000 ekin = 3.56470936099193 | erot = 5.0736169800556 | epot = -35.8794588183624 | etot = -27.2411324773149 +904000 ekin = 3.64294879518613 | erot = 5.28022715353213 | epot = -35.7543216612838 | etot = -26.8311457125655 +905000 ekin = 3.72447152602285 | erot = 5.02657007424527 | epot = -35.6582804909764 | etot = -26.9072388907083 +906000 ekin = 3.75914133677088 | erot = 4.63070748715842 | epot = -35.612999504401 | etot = -27.2231506804717 +907000 ekin = 4.00046169414558 | erot = 4.63743176603131 | epot = -35.6087015116536 | etot = -26.9708080514767 +908000 ekin = 3.98050966425464 | erot = 4.23795607914891 | epot = -35.6020003534147 | etot = -27.3835346100112 +909000 ekin = 4.14488755712815 | erot = 3.77771446920705 | epot = -35.5819012555833 | etot = -27.6592992292481 +910000 ekin = 4.1887889926356 | erot = 3.85878998652561 | epot = -35.5853308204891 | etot = -27.5377518413279 +911000 ekin = 4.15448454864758 | erot = 3.93063753948176 | epot = -35.6075046071718 | etot = -27.5223825190425 +912000 ekin = 4.30922033402802 | erot = 4.53644215925805 | epot = -35.6368602869835 | etot = -26.7911977936974 +913000 ekin = 4.42050627097558 | erot = 4.36559538892952 | epot = -35.6635505470047 | etot = -26.8774488870996 +914000 ekin = 4.6403841670674 | erot = 4.57708989772375 | epot = -35.6621612967527 | etot = -26.4446872319616 +915000 ekin = 4.71121950507705 | erot = 4.34018648406813 | epot = -35.6015140360094 | etot = -26.5501080468642 +916000 ekin = 4.67735943325919 | erot = 4.0723772918886 | epot = -35.4903050476419 | etot = -26.7405683224941 +917000 ekin = 4.78142703705638 | erot = 4.20198791892886 | epot = -35.3917685265256 | etot = -26.4083535705404 +918000 ekin = 4.7742119869693 | erot = 4.42971373988814 | epot = -35.2582637676414 | etot = -26.0543380407839 +919000 ekin = 4.73422216252914 | erot = 4.77044814340051 | epot = -35.0931913565728 | etot = -25.5885210506432 +920000 ekin = 4.64583700129848 | erot = 4.69774436792081 | epot = -34.9395895324837 | etot = -25.5960081632644 +921000 ekin = 4.61516328269964 | erot = 4.43350879426936 | epot = -34.8128426462854 | etot = -25.7641705693164 +922000 ekin = 4.55621337364178 | erot = 4.21768777753525 | epot = -34.731272035168 | etot = -25.957370883991 +923000 ekin = 4.59034826680215 | erot = 4.50920703076205 | epot = -34.7044992141229 | etot = -25.6049439165587 +924000 ekin = 4.58356240196282 | erot = 4.62074320796255 | epot = -34.7126986327434 | etot = -25.5083930228181 +925000 ekin = 4.53220072800684 | erot = 4.79254817721302 | epot = -34.7588998026867 | etot = -25.4341508974668 +926000 ekin = 4.55832715206546 | erot = 5.00471911281283 | epot = -34.8080246038197 | etot = -25.2449783389414 +927000 ekin = 4.62575171089084 | erot = 4.71181044830637 | epot = -34.8667293476369 | etot = -25.5291671884397 +928000 ekin = 4.6865737520682 | erot = 4.76234601746956 | epot = -34.9159498367978 | etot = -25.4670300672601 +929000 ekin = 4.70610289156496 | erot = 5.07097104655825 | epot = -34.9791697926812 | etot = -25.202095854558 +930000 ekin = 4.79474071813525 | erot = 5.21915381885372 | epot = -35.0589708185242 | etot = -25.0450762815352 +931000 ekin = 4.69039359230198 | erot = 5.48593447848963 | epot = -35.1099047138404 | etot = -24.9335766430488 +932000 ekin = 4.7111009460339 | erot = 5.4720468535618 | epot = -35.1612846037869 | etot = -24.9781368041912 +933000 ekin = 4.76369652677887 | erot = 5.41370570081894 | epot = -35.2317575147351 | etot = -25.0543552871373 +934000 ekin = 4.83643894391789 | erot = 5.23508631414153 | epot = -35.3109086744022 | etot = -25.2393834163428 +935000 ekin = 4.76586014730436 | erot = 5.22865540833756 | epot = -35.3670038676071 | etot = -25.3724883119652 +936000 ekin = 4.7459923218933 | erot = 5.40903849081523 | epot = -35.4141584031107 | etot = -25.2591275904022 +937000 ekin = 4.70665366838905 | erot = 5.90535300927779 | epot = -35.4573569432724 | etot = -24.8453502656056 +938000 ekin = 4.73520980048979 | erot = 5.48994015212931 | epot = -35.4717259493596 | etot = -25.2465759967405 +939000 ekin = 4.66471904112519 | erot = 5.58667162801307 | epot = -35.4363389851306 | etot = -25.1849483159923 +940000 ekin = 4.73670308439177 | erot = 5.59502045341229 | epot = -35.3410735898404 | etot = -25.0093500520363 +941000 ekin = 4.56546752366378 | erot = 5.16939612930462 | epot = -35.2196425314963 | etot = -25.4847788785279 +942000 ekin = 4.36600564082669 | erot = 4.55609433699451 | epot = -35.0782455188876 | etot = -26.1561455410664 +943000 ekin = 4.27680501590838 | erot = 4.77186490926422 | epot = -34.9346146494824 | etot = -25.8859447243098 +944000 ekin = 4.17576408254737 | erot = 4.64476704064562 | epot = -34.7936442239135 | etot = -25.9731131007205 +945000 ekin = 4.08165692512371 | erot = 4.64307958398346 | epot = -34.7241648822137 | etot = -25.9994283731065 +946000 ekin = 3.98238337685344 | erot = 4.33903183997964 | epot = -34.7208981880722 | etot = -26.3994829712391 +947000 ekin = 4.11312487406461 | erot = 4.25698162025787 | epot = -34.8023164533948 | etot = -26.4322099590723 +948000 ekin = 4.03905965504869 | erot = 4.28038925266087 | epot = -34.9281986674362 | etot = -26.6087497597266 +949000 ekin = 4.1208125166908 | erot = 4.40083354097111 | epot = -35.1348098866939 | etot = -26.613163829032 +950000 ekin = 4.19947300195128 | erot = 4.46892156642135 | epot = -35.3299547862506 | etot = -26.661560217878 +951000 ekin = 4.28802819218884 | erot = 4.36807424436335 | epot = -35.5595339264246 | etot = -26.9034314898725 +952000 ekin = 4.44618066979578 | erot = 4.88998578448103 | epot = -35.7762645912068 | etot = -26.44009813693 +953000 ekin = 4.5302283554923 | erot = 4.90684636989476 | epot = -35.9402525430858 | etot = -26.5031778176987 +954000 ekin = 4.65793433635961 | erot = 4.95789701943277 | epot = -36.1007223995933 | etot = -26.4848910438009 +955000 ekin = 4.68472849923027 | erot = 4.84778271057312 | epot = -36.2250094081951 | etot = -26.6924981983917 +956000 ekin = 4.83489144923538 | erot = 4.61252423076221 | epot = -36.2912267944712 | etot = -26.8438111144736 +957000 ekin = 4.83158754758409 | erot = 4.0642787483582 | epot = -36.3314048744553 | etot = -27.435538578513 +958000 ekin = 4.95872508890374 | erot = 3.8676428932311 | epot = -36.3554965538545 | etot = -27.5291285717197 +959000 ekin = 4.88220034385472 | erot = 3.76501141985342 | epot = -36.3703754351938 | etot = -27.7231636714857 +960000 ekin = 4.96739750076015 | erot = 3.7014398632156 | epot = -36.3537104260633 | etot = -27.6848730620876 +961000 ekin = 5.05073619222996 | erot = 3.58723306284446 | epot = -36.3292284086296 | etot = -27.6912591535552 +962000 ekin = 5.10220917296366 | erot = 3.43365806618373 | epot = -36.2926607322774 | etot = -27.75679349313 +963000 ekin = 5.25727455724212 | erot = 3.39047088285921 | epot = -36.2233249912223 | etot = -27.575579551121 +964000 ekin = 5.33892942752082 | erot = 3.38850636488331 | epot = -36.1631800361723 | etot = -27.4357442437681 +965000 ekin = 5.2970730958468 | erot = 3.40709075904151 | epot = -36.114647791202 | etot = -27.4104839363137 +966000 ekin = 5.27380254283778 | erot = 3.34984185029643 | epot = -36.0934598827503 | etot = -27.4698154896161 +967000 ekin = 5.19975037009079 | erot = 3.54967607074502 | epot = -36.1222651146807 | etot = -27.3728386738448 +968000 ekin = 5.22098509097155 | erot = 3.3892004067814 | epot = -36.1570868906286 | etot = -27.5469013928757 +969000 ekin = 5.01248198517068 | erot = 3.26201512253228 | epot = -36.2130447987792 | etot = -27.9385476910762 +970000 ekin = 4.97914863237106 | erot = 3.76343819077311 | epot = -36.2895058744145 | etot = -27.5469190512703 +971000 ekin = 5.04224300192785 | erot = 3.59024832311319 | epot = -36.3590409977869 | etot = -27.7265496727458 +972000 ekin = 5.05787332232175 | erot = 3.83558558676151 | epot = -36.3997125264456 | etot = -27.5062536173623 +973000 ekin = 5.01777031588935 | erot = 3.27986497682726 | epot = -36.4166837336011 | etot = -28.1190484408845 +974000 ekin = 4.96186842907979 | erot = 3.23479851019171 | epot = -36.4352005399393 | etot = -28.2385336006678 +975000 ekin = 4.97224363278502 | erot = 3.35077904927888 | epot = -36.4557098060367 | etot = -28.1326871239728 +976000 ekin = 5.0162553138043 | erot = 3.41837200675041 | epot = -36.4643526378271 | etot = -28.0297253172724 +977000 ekin = 5.04359880486583 | erot = 3.40669885598936 | epot = -36.4673967616966 | etot = -28.0170991008414 +978000 ekin = 4.9681411602187 | erot = 3.39885422893789 | epot = -36.4671439769122 | etot = -28.1001485877556 +979000 ekin = 4.68494120169249 | erot = 3.87226166481083 | epot = -36.4696261905049 | etot = -27.9124233240016 +980000 ekin = 4.80514576212701 | erot = 3.73614562894005 | epot = -36.475376838153 | etot = -27.9340854470859 +981000 ekin = 4.85375109376202 | erot = 4.35522911699943 | epot = -36.490277579472 | etot = -27.2812973687106 +982000 ekin = 4.79648806853116 | erot = 4.15595945903746 | epot = -36.5084812040106 | etot = -27.556033676442 +983000 ekin = 4.75907969484057 | erot = 4.43556787871506 | epot = -36.5083539693145 | etot = -27.3137063957588 +984000 ekin = 4.81598118843888 | erot = 4.52957555705298 | epot = -36.5383410952843 | etot = -27.1927843497924 +985000 ekin = 4.87924474650941 | erot = 4.31630979014036 | epot = -36.577700648078 | etot = -27.3821461114282 +986000 ekin = 4.77128314224537 | erot = 4.12408981491498 | epot = -36.5819281400531 | etot = -27.6865551828927 +987000 ekin = 4.70900566206185 | erot = 4.08922713836866 | epot = -36.5892891612732 | etot = -27.7910563608427 +988000 ekin = 4.6968564492698 | erot = 4.03217145235668 | epot = -36.6289948782934 | etot = -27.8999669766669 +989000 ekin = 4.56955203825019 | erot = 4.16364650343056 | epot = -36.6885496975525 | etot = -27.9553511558718 +990000 ekin = 4.56207337974517 | erot = 3.92865148644801 | epot = -36.7375440238776 | etot = -28.2468191576844 +991000 ekin = 4.4586326947315 | erot = 3.99370804360007 | epot = -36.8046932644695 | etot = -28.3523525261379 +992000 ekin = 4.52516169637469 | erot = 4.19036473784407 | epot = -36.9045951669892 | etot = -28.1890687327704 +993000 ekin = 4.26593637770936 | erot = 4.55899726308496 | epot = -37.0283922292365 | etot = -28.2034585884422 +994000 ekin = 4.14968593987806 | erot = 4.67871188882193 | epot = -37.1561829580762 | etot = -28.3277851293762 +995000 ekin = 4.20875361664816 | erot = 4.51127733270458 | epot = -37.285893138091 | etot = -28.5658621887383 +996000 ekin = 4.10968366763525 | erot = 4.25871927923692 | epot = -37.3745810703536 | etot = -29.0061781234814 +997000 ekin = 4.00616178451074 | erot = 4.48911641515844 | epot = -37.4314666701152 | etot = -28.936188470446 +998000 ekin = 4.02180091279274 | erot = 4.35841167717687 | epot = -37.4443636100105 | etot = -29.0641510200409 +999000 ekin = 4.07504562975234 | erot = 4.2623087345041 | epot = -37.4098012996852 | etot = -29.0724469354287 +1000000 ekin = 3.90433765200202 | erot = 4.66881888228247 | epot = -37.3063332342133 | etot = -28.7331766999288 + 1000000 0.10411567 -1.4674304 0.032571422 -1.2846921 -6.6175275e-05 64000 +Loop time of 46.7814 on 4 procs for 1000000 steps with 26 atoms + +Performance: 18468.870 tau/day, 21376.007 timesteps/s +99.8% CPU use with 4 MPI tasks x no OpenMP threads + +MPI task timing breakdown: +Section | min time | avg time | max time |%varavg| %total +--------------------------------------------------------------- +Pair | 12.74 | 20.221 | 37.61 | 224.5 | 43.22 +Bond | 0.40761 | 0.56838 | 0.7636 | 21.2 | 1.21 +Neigh | 0.009822 | 0.0099905 | 0.010152 | 0.1 | 0.02 +Comm | 5.0791 | 23.235 | 31.502 | 219.3 | 49.67 +Output | 0.11084 | 0.12593 | 0.13167 | 2.5 | 0.27 +Modify | 1.5136 | 2.183 | 2.853 | 44.8 | 4.67 +Other | | 0.4378 | | | 0.94 + +Nlocal: 6.50000 ave 10 max 3 min +Histogram: 2 0 0 0 0 0 0 0 0 2 +Nghost: 19.5000 ave 23 max 16 min +Histogram: 2 0 0 0 0 0 0 0 0 2 +Neighs: 75.2500 ave 190 max 23 min +Histogram: 1 2 0 0 0 0 0 0 0 1 + +Total # of neighbors = 301 +Ave neighs/atom = 11.576923 +Ave special neighs/atom = 5.0769231 +Neighbor list builds = 1000 +Dangerous builds = 0 + +write_data last_config.${number}.* nocoeff +write_data last_config.8.* nocoeff +System init for write_data ... +#write_restart last_config.${number}.* +Total wall time: 0:00:46 diff --git a/examples/PACKAGES/cgdna/examples/oxRNA2/duplex2/in.duplex2 b/examples/PACKAGES/cgdna/examples/oxRNA2/duplex2/in.duplex2 index 09061269ff..30458a7266 100644 --- a/examples/PACKAGES/cgdna/examples/oxRNA2/duplex2/in.duplex2 +++ b/examples/PACKAGES/cgdna/examples/oxRNA2/duplex2/in.duplex2 @@ -8,7 +8,7 @@ units lj dimension 3 -newton off +newton on boundary p p p @@ -70,3 +70,4 @@ dump_modify out format line "%d %d %d %22.15le %22.15le %22.15le %d %d %d %22 run 1000000 write_data last_config.${number}.* nocoeff +#write_restart last_config.${number}.* diff --git a/examples/PACKAGES/cgdna/examples/oxRNA2/duplex2/log.27May21.duplex2.g++.1 b/examples/PACKAGES/cgdna/examples/oxRNA2/duplex2/log.27May21.duplex2.g++.1 deleted file mode 100644 index 9e047a580d..0000000000 --- a/examples/PACKAGES/cgdna/examples/oxRNA2/duplex2/log.27May21.duplex2.g++.1 +++ /dev/null @@ -1,1181 +0,0 @@ -LAMMPS (27 May 2021) -variable number equal 2 -variable ofreq equal 1000 -variable efreq equal 1000 -variable T equal 0.1 -variable rhos equal 0.5 - -units lj - -dimension 3 - -newton off - -boundary p p p - -atom_style hybrid bond ellipsoid oxdna -WARNING: Atom style hybrid defines both, per-type and per-atom masses; both must be set, but only per-atom masses will be used (../atom_vec_hybrid.cpp:157) -atom_modify sort 0 1.0 - -# Pair interactions require lists of neighbours to be calculated -neighbor 2.0 bin -neigh_modify every 1 delay 0 check yes - -read_data data.duplex2 -Reading data file ... - orthogonal box = (-20.000000 -20.000000 -20.000000) to (20.000000 20.000000 20.000000) - 1 by 1 by 1 MPI processor grid - reading atoms ... - 16 atoms - reading velocities ... - 16 velocities - scanning bonds ... - 2 = max bonds/atom - 16 ellipsoids - reading bonds ... - 13 bonds -Finding 1-2 1-3 1-4 neighbors ... - special bond factors lj: 0 0 0 - special bond factors coul: 0 0 0 - 2 = max # of 1-2 neighbors - 2 = max # of 1-3 neighbors - 4 = max # of 1-4 neighbors - 6 = max # of special neighbors - special bonds CPU = 0.000 seconds - read_data CPU = 0.003 seconds - -set atom * mass 3.1575 -Setting atom values ... - 16 settings made for mass - -group all type 1 4 -16 atoms in group all - -# oxRNA2 bond interactions - FENE backbone -bond_style oxrna2/fene -bond_coeff * 2.0 0.25 0.761070781051 -special_bonds lj 0 1 1 -Finding 1-2 1-3 1-4 neighbors ... - special bond factors lj: 0 1 1 - special bond factors coul: 0 0 0 - 2 = max # of 1-2 neighbors - 2 = max # of 1-3 neighbors - 4 = max # of 1-4 neighbors - 6 = max # of special neighbors - special bonds CPU = 0.000 seconds - -# oxRNA2 pair interactions -pair_style hybrid/overlay oxrna2/excv oxrna2/stk oxrna2/hbond oxrna2/xstk oxrna2/coaxstk oxrna2/dh -pair_coeff * * oxrna2/excv 2.0 0.7 0.675 2.0 0.515 0.5 2.0 0.33 0.32 -pair_coeff * * oxrna2/stk seqdep ${T} 1.40206 2.77 6.0 0.43 0.93 0.35 0.78 0.9 0 0.95 0.9 0 0.95 1.3 0 0.8 1.3 0 0.8 2.0 0.65 2.0 0.65 -pair_coeff * * oxrna2/stk seqdep 0.1 1.40206 2.77 6.0 0.43 0.93 0.35 0.78 0.9 0 0.95 0.9 0 0.95 1.3 0 0.8 1.3 0 0.8 2.0 0.65 2.0 0.65 -pair_coeff * * oxrna2/hbond seqdep 0.0 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 -pair_coeff 1 4 oxrna2/hbond seqdep 0.870439 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 -pair_coeff 2 3 oxrna2/hbond seqdep 0.870439 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 -pair_coeff 3 4 oxrna2/hbond seqdep 0.870439 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 -pair_coeff * * oxrna2/xstk 59.9626 0.5 0.6 0.42 0.58 2.25 0.505 0.58 1.7 1.266 0.68 1.7 1.266 0.68 1.7 0.309 0.68 1.7 0.309 0.68 -pair_coeff * * oxrna2/coaxstk 80 0.5 0.6 0.42 0.58 2.0 2.592 0.65 1.3 0.151 0.8 0.9 0.685 0.95 0.9 0.685 0.95 2.0 -0.65 2.0 -0.65 -pair_coeff * * oxrna2/dh ${T} ${rhos} 1.02455 -pair_coeff * * oxrna2/dh 0.1 ${rhos} 1.02455 -pair_coeff * * oxrna2/dh 0.1 0.5 1.02455 - -# NVE ensemble -fix 1 all nve/asphere -#fix 2 all langevin ${T} ${T} 2.5 457145 angmom 10 - -timestep 1e-5 - -#comm_style tiled -fix 3 all balance 1000 1.03 shift xyz 10 1.03 -comm_modify cutoff 3.8 - -compute quat all property/atom quatw quati quatj quatk - -compute erot all erotate/asphere -compute ekin all ke -compute epot all pe -variable erot equal c_erot -variable ekin equal c_ekin -variable epot equal c_epot -variable etot equal c_erot+c_ekin+c_epot -fix 5 all print ${efreq} "$(step) ekin = ${ekin} | erot = ${erot} | epot = ${epot} | etot = ${etot}" screen yes -fix 5 all print 1000 "$(step) ekin = ${ekin} | erot = ${erot} | epot = ${epot} | etot = ${etot}" screen yes - -dump out all custom ${ofreq} out.${number}.lammpstrj id mol type x y z ix iy iz vx vy vz c_quat[1] c_quat[2] c_quat[3] c_quat[4] angmomx angmomy angmomz -dump out all custom 1000 out.${number}.lammpstrj id mol type x y z ix iy iz vx vy vz c_quat[1] c_quat[2] c_quat[3] c_quat[4] angmomx angmomy angmomz -dump out all custom 1000 out.2.lammpstrj id mol type x y z ix iy iz vx vy vz c_quat[1] c_quat[2] c_quat[3] c_quat[4] angmomx angmomy angmomz -dump_modify out sort id -dump_modify out format line "%d %d %d %22.15le %22.15le %22.15le %d %d %d %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le" - -run 1000000 -Neighbor list info ... - update every 1 steps, delay 0 steps, check yes - max neighbors/atom: 2000, page size: 100000 - master list distance cutoff = 4.3014979 - ghost atom cutoff = 4.3014979 - binsize = 2.150749, bins = 19 19 19 - 5 neighbor lists, perpetual/occasional/extra = 5 0 0 - (1) pair oxrna2/excv, perpetual - attributes: half, newton off - pair build: half/bin/newtoff - stencil: full/bin/3d - bin: standard - (2) pair oxrna2/hbond, perpetual, copy from (1) - attributes: half, newton off - pair build: copy - stencil: none - bin: none - (3) pair oxrna2/xstk, perpetual, copy from (1) - attributes: half, newton off - pair build: copy - stencil: none - bin: none - (4) pair oxrna2/coaxstk, perpetual, copy from (1) - attributes: half, newton off - pair build: copy - stencil: none - bin: none - (5) pair oxrna2/dh, perpetual, copy from (1) - attributes: half, newton off - pair build: copy - stencil: none - bin: none -WARNING: Communication cutoff adjusted to 4.301497916929199 (../comm.cpp:739) -0 ekin = 2.70475393009871 | erot = 2.80172072918779 | epot = -11.1349465280231 | etot = -5.62847186873664 -Per MPI rank memory allocation (min/avg/max) = 9.597 | 9.597 | 9.597 Mbytes -Step Temp E_pair E_mol TotEng Press Volume - 0 0.12021129 -0.7299505 0.034016337 -0.52688704 5.1214421e-05 64000 -1000 ekin = 2.74425239815418 | erot = 2.79065458610894 | epot = -11.163378852689 | etot = -5.62847186842592 -2000 ekin = 2.78841691867037 | erot = 2.77992540099535 | epot = -11.1968141877249 | etot = -5.62847186805919 -3000 ekin = 2.83938215410024 | erot = 2.77185117591642 | epot = -11.2397051978033 | etot = -5.62847186778665 -4000 ekin = 2.89876217830266 | erot = 2.76816783884241 | epot = -11.295401884792 | etot = -5.62847186764698 -5000 ekin = 2.96742170720772 | erot = 2.76919345829433 | epot = -11.3650870331989 | etot = -5.62847186769686 -6000 ekin = 3.04563007371043 | erot = 2.77376672268246 | epot = -11.4478686641706 | etot = -5.6284718677777 -7000 ekin = 3.13407886898542 | erot = 2.78065913591454 | epot = -11.5432098726293 | etot = -5.62847186772937 -8000 ekin = 3.23400863287747 | erot = 2.78938863934855 | epot = -11.651869139893 | etot = -5.628471867667 -9000 ekin = 3.34625998930262 | erot = 2.80019523753782 | epot = -11.7749270943235 | etot = -5.62847186748305 -10000 ekin = 3.47220350616338 | erot = 2.81464622815281 | epot = -11.9153216015116 | etot = -5.62847186719543 -11000 ekin = 3.61341090096022 | erot = 2.83541090219848 | epot = -12.0772936703878 | etot = -5.62847186722912 -12000 ekin = 3.76971728921065 | erot = 2.8651661044909 | epot = -12.2633552607298 | etot = -5.62847186702824 -13000 ekin = 3.9410557771447 | erot = 2.90597306806356 | epot = -12.4755007121564 | etot = -5.62847186694816 -14000 ekin = 4.1273074489676 | erot = 2.95952862137382 | epot = -12.7153079373022 | etot = -5.62847186696076 -15000 ekin = 4.32776706381553 | erot = 3.02701108512253 | epot = -12.9832500158852 | etot = -5.62847186694718 -16000 ekin = 4.54139695680688 | erot = 3.10924468066181 | epot = -13.2791135046204 | etot = -5.62847186715173 -17000 ekin = 4.76575661763827 | erot = 3.20604355373095 | epot = -13.60027203892 | etot = -5.62847186755078 -18000 ekin = 4.99700491214688 | erot = 3.31611869568271 | epot = -13.9415954758898 | etot = -5.62847186806021 -19000 ekin = 5.23048108112194 | erot = 3.43700077146765 | epot = -14.2959537213472 | etot = -5.62847186875764 -20000 ekin = 5.46074742513061 | erot = 3.56463156086408 | epot = -14.6538508556014 | etot = -5.62847186960667 -21000 ekin = 5.68087058007138 | erot = 3.6925677668172 | epot = -15.0019102179231 | etot = -5.62847187103448 -22000 ekin = 5.88327619983881 | erot = 3.81252322503562 | epot = -15.3242712967755 | etot = -5.62847187190108 -23000 ekin = 6.06249979951993 | erot = 3.91720950057677 | epot = -15.6081811728147 | etot = -5.62847187271797 -24000 ekin = 6.21449712377439 | erot = 4.00104081543187 | epot = -15.8440098121104 | etot = -5.62847187290417 -25000 ekin = 6.33853277809256 | erot = 4.06184542619888 | epot = -16.0288500769828 | etot = -5.62847187269139 -26000 ekin = 6.43627737187013 | erot = 4.10076278430851 | epot = -16.1655120283938 | etot = -5.62847187221521 -27000 ekin = 6.51092447972029 | erot = 4.12134483746817 | epot = -16.2607411888241 | etot = -5.62847187163564 -28000 ekin = 6.56622100976686 | erot = 4.12827111510824 | epot = -16.3229639959506 | etot = -5.6284718710755 -29000 ekin = 6.60587340002397 | erot = 4.12622173833907 | epot = -16.3605670089492 | etot = -5.62847187058613 -30000 ekin = 6.63335580501832 | erot = 4.11921545444659 | epot = -16.3810431296794 | etot = -5.62847187021445 -31000 ekin = 6.65211888589275 | erot = 4.10999678317537 | epot = -16.3905875389834 | etot = -5.6284718699153 -32000 ekin = 6.66584763664878 | erot = 4.10024297795107 | epot = -16.3945624842072 | etot = -5.6284718696074 -33000 ekin = 6.67923227191034 | erot = 4.09129207413372 | epot = -16.398996215263 | etot = -5.62847186921898 -34000 ekin = 6.69756137216837 | erot = 4.08414768607671 | epot = -16.4101809271347 | etot = -5.62847186888963 -35000 ekin = 6.72589628312087 | erot = 4.07950228497955 | epot = -16.4338704366878 | etot = -5.62847186858736 -36000 ekin = 6.76908557113719 | erot = 4.07778615492117 | epot = -16.4753435944361 | etot = -5.62847186837779 -37000 ekin = 6.83097506213407 | erot = 4.07899014040672 | epot = -16.5384370708783 | etot = -5.62847186833747 -38000 ekin = 6.91354703253175 | erot = 4.08242106390425 | epot = -16.6244399649597 | etot = -5.62847186852366 -39000 ekin = 7.01626065739836 | erot = 4.08652171942794 | epot = -16.7312542457771 | etot = -5.62847186895078 -40000 ekin = 7.13573792258332 | erot = 4.08884404540015 | epot = -16.8530538375758 | etot = -5.62847186959231 -41000 ekin = 7.26614194134516 | erot = 4.08627042537781 | epot = -16.9808842370343 | etot = -5.62847187031131 -42000 ekin = 7.40051154120589 | erot = 4.07546023443119 | epot = -17.1044436466277 | etot = -5.6284718709906 -43000 ekin = 7.5315743714369 | erot = 4.05344655359662 | epot = -17.2134927965849 | etot = -5.62847187155142 -44000 ekin = 7.65268317567644 | erot = 4.01819177227261 | epot = -17.2993468198234 | etot = -5.62847187187434 -45000 ekin = 7.75845343306886 | erot = 3.96898510895805 | epot = -17.3559104142066 | etot = -5.62847187217966 -46000 ekin = 7.84504377034637 | erot = 3.9045490306483 | epot = -17.3780646733318 | etot = -5.62847187233708 -47000 ekin = 7.91002390820626 | erot = 3.82478596555235 | epot = -17.3632817459108 | etot = -5.62847187215216 -48000 ekin = 7.95195705456502 | erot = 3.73154439390043 | epot = -17.3119733204129 | etot = -5.62847187194745 -49000 ekin = 7.97001825706863 | erot = 3.62752007295082 | epot = -17.2260102016185 | etot = -5.62847187159907 -50000 ekin = 7.96375756700425 | erot = 3.51726958365141 | epot = -17.1094990215452 | etot = -5.62847187088955 -51000 ekin = 7.93280761300434 | erot = 3.40827188497866 | epot = -16.9695513688031 | etot = -5.62847187082008 -52000 ekin = 7.87656811744185 | erot = 3.30207418532559 | epot = -16.8071141735586 | etot = -5.62847187079121 -53000 ekin = 7.795310125419 | erot = 3.1983998481543 | epot = -16.6221818441147 | etot = -5.62847187054139 -54000 ekin = 7.68952609570327 | erot = 3.09980185481832 | epot = -16.4177998208245 | etot = -5.62847187030293 -55000 ekin = 7.55966222141087 | erot = 3.00897426989542 | epot = -16.1971083614499 | etot = -5.62847187014361 -56000 ekin = 7.4059412450799 | erot = 2.92802865182262 | epot = -15.9624417669772 | etot = -5.62847187007467 -57000 ekin = 7.22816598141979 | erot = 2.85836584281792 | epot = -15.7150036943479 | etot = -5.62847187011019 -58000 ekin = 7.02573051397593 | erot = 2.80066522322033 | epot = -15.4548676074193 | etot = -5.62847187022304 -59000 ekin = 6.80455077165106 | erot = 2.75651944712028 | epot = -15.1895420860964 | etot = -5.62847186732507 -60000 ekin = 6.57760251691499 | erot = 2.72731501678731 | epot = -14.9333893991692 | etot = -5.62847186546688 -61000 ekin = 5.9988405319001 | erot = 2.65010269791697 | epot = -14.2774150331152 | etot = -5.62847180329812 -62000 ekin = 5.82217958652213 | erot = 2.65058478195178 | epot = -14.1012361774604 | etot = -5.62847180898654 -63000 ekin = 6.00993174210244 | erot = 2.71143483466418 | epot = -14.3498384845184 | etot = -5.62847190775179 -64000 ekin = 5.85096985050363 | erot = 2.71173917624734 | epot = -14.1911809366075 | etot = -5.6284719098565 -65000 ekin = 5.6795980144273 | erot = 2.70731630130173 | epot = -14.0153862253963 | etot = -5.62847190966731 -66000 ekin = 5.49812382731701 | erot = 2.69646895132523 | epot = -13.8230646880631 | etot = -5.6284719094209 -67000 ekin = 5.31011188753142 | erot = 2.67901331172422 | epot = -13.6175971082583 | etot = -5.62847190900269 -68000 ekin = 5.11964229582584 | erot = 2.6562219727344 | epot = -13.4043361770527 | etot = -5.62847190849249 -69000 ekin = 4.93067975207848 | erot = 2.63014135225734 | epot = -13.189293012493 | etot = -5.62847190815717 -70000 ekin = 4.7469738661748 | erot = 2.60347312706346 | epot = -12.9789189008751 | etot = -5.6284719076368 -71000 ekin = 4.57222133259563 | erot = 2.5797158979897 | epot = -12.7804091377444 | etot = -5.62847190715907 -72000 ekin = 4.40959648507777 | erot = 2.5622829592253 | epot = -12.6003513510616 | etot = -5.62847190675855 -73000 ekin = 4.261700095739 | erot = 2.55406076080147 | epot = -12.4442327629949 | etot = -5.62847190645442 -74000 ekin = 4.13052949790815 | erot = 2.55713155841199 | epot = -12.3161329625866 | etot = -5.62847190626649 -75000 ekin = 4.0158819282887 | erot = 2.56608801434103 | epot = -12.2104419139898 | etot = -5.62847197136009 -76000 ekin = 3.95904625854752 | erot = 2.44184942386052 | epot = -12.0293675901711 | etot = -5.62847190776301 -77000 ekin = 4.02755960266358 | erot = 2.46007159499075 | epot = -12.1161031098039 | etot = -5.6284719121496 -78000 ekin = 3.9878543994381 | erot = 2.49596945534626 | epot = -12.1122957670966 | etot = -5.62847191231222 -79000 ekin = 3.96575767721423 | erot = 2.54200842335473 | epot = -12.1362380131154 | etot = -5.62847191254644 -80000 ekin = 3.95961954869549 | erot = 2.59604589435614 | epot = -12.1841373558849 | etot = -5.62847191283329 -81000 ekin = 3.96734100032337 | erot = 2.65577062232368 | epot = -12.2515835357817 | etot = -5.62847191313468 -82000 ekin = 3.98651997822116 | erot = 2.71892569307098 | epot = -12.333917584723 | etot = -5.62847191343086 -83000 ekin = 4.01459300302737 | erot = 2.78352190390212 | epot = -12.4265868206359 | etot = -5.62847191370646 -84000 ekin = 4.04956210608545 | erot = 2.84796629664432 | epot = -12.5260003165345 | etot = -5.62847191380469 -85000 ekin = 4.09049341026859 | erot = 2.91104365381114 | epot = -12.630008978118 | etot = -5.62847191403825 -86000 ekin = 4.13484812560041 | erot = 2.97201165419102 | epot = -12.7353316940204 | etot = -5.62847191422894 -87000 ekin = 4.18003829184646 | erot = 3.03078479878299 | epot = -12.8392950049954 | etot = -5.6284719143659 -88000 ekin = 4.22360704724732 | erot = 3.08796574000335 | epot = -12.9400447017002 | etot = -5.62847191444958 -89000 ekin = 4.26326024607322 | erot = 3.14481288279498 | epot = -13.0365450433359 | etot = -5.62847191446774 -90000 ekin = 4.29588111790616 | erot = 3.20341713777027 | epot = -13.1277701703301 | etot = -5.62847191465365 -91000 ekin = 4.31697784577813 | erot = 3.26736040230169 | epot = -13.2128101626458 | etot = -5.62847191456593 -92000 ekin = 4.32507837347579 | erot = 3.33931601944573 | epot = -13.2928663075902 | etot = -5.62847191466873 -93000 ekin = 4.31872212432196 | erot = 3.4203654191679 | epot = -13.367559458178 | etot = -5.62847191468809 -94000 ekin = 4.29660005793293 | erot = 3.51205694754416 | epot = -13.4371289201541 | etot = -5.628471914677 -95000 ekin = 4.25789021838842 | erot = 3.61606475666855 | epot = -13.502426889667 | etot = -5.62847191461008 -96000 ekin = 4.202536619265 | erot = 3.73412422729675 | epot = -13.5651327610313 | etot = -5.62847191446956 -97000 ekin = 4.13146529060015 | erot = 3.86803037439311 | epot = -13.6279675793419 | etot = -5.62847191434862 -98000 ekin = 4.04669071975352 | erot = 4.01885670334744 | epot = -13.6940193371953 | etot = -5.62847191409434 -99000 ekin = 3.95128630061895 | erot = 4.18772840013478 | epot = -13.7674866145626 | etot = -5.62847191380887 -100000 ekin = 3.84921784883058 | erot = 4.37558821791295 | epot = -13.8532779802874 | etot = -5.6284719135439 -101000 ekin = 3.74501223923284 | erot = 4.58258429231803 | epot = -13.9560684449145 | etot = -5.62847191336366 -102000 ekin = 3.64330024870551 | erot = 4.80764134110135 | epot = -14.0794135031373 | etot = -5.62847191333048 -103000 ekin = 3.54831662006251 | erot = 5.04811575607568 | epot = -14.2249042896175 | etot = -5.62847191347927 -104000 ekin = 3.46349772064904 | erot = 5.29960820358518 | epot = -14.3915778382037 | etot = -5.62847191396945 -105000 ekin = 3.39136254536234 | erot = 5.55507704360061 | epot = -14.5749115034251 | etot = -5.62847191446211 -106000 ekin = 3.33356403744371 | erot = 5.80718759325009 | epot = -14.769223545484 | etot = -5.62847191479015 -107000 ekin = 3.29209861353664 | erot = 6.0490668738683 | epot = -14.9696374027455 | etot = -5.62847191534052 -108000 ekin = 3.26748487341077 | erot = 6.27418243659792 | epot = -15.170139225863 | etot = -5.62847191585429 -109000 ekin = 3.25930506886577 | erot = 6.4758541724441 | epot = -15.3636311580692 | etot = -5.62847191675935 -110000 ekin = 3.26568272829079 | erot = 6.64602097208024 | epot = -15.5401756176986 | etot = -5.62847191732761 -111000 ekin = 3.28520059172608 | erot = 6.77857539600436 | epot = -15.6922479055269 | etot = -5.62847191779651 -112000 ekin = 3.31659315707429 | erot = 6.86862760564071 | epot = -15.8136926809252 | etot = -5.62847191821021 -113000 ekin = 3.35860144230931 | erot = 6.91335224014943 | epot = -15.9004256006577 | etot = -5.62847191819896 -114000 ekin = 3.41073468124679 | erot = 6.91406610981318 | epot = -15.9532727088343 | etot = -5.62847191777429 -115000 ekin = 3.47381531534282 | erot = 6.87643065686506 | epot = -15.9787178894078 | etot = -5.6284719171999 -116000 ekin = 3.54886437558777 | erot = 6.80711139529212 | epot = -15.9844476879582 | etot = -5.62847191707831 -117000 ekin = 3.63467409204953 | erot = 6.71320827683675 | epot = -15.9763542854632 | etot = -5.62847191657691 -118000 ekin = 3.72815555523563 | erot = 6.60276001485649 | epot = -15.9593874864267 | etot = -5.62847191633455 -119000 ekin = 3.82420980363922 | erot = 6.48288858478337 | epot = -15.9355703049694 | etot = -5.6284719165468 -120000 ekin = 3.9179774835722 | erot = 6.35662792089898 | epot = -15.903077321228 | etot = -5.62847191675683 -121000 ekin = 4.00591742044035 | erot = 6.22468993027099 | epot = -15.8590792676431 | etot = -5.62847191693177 -122000 ekin = 4.08550270322369 | erot = 6.08676575288901 | epot = -15.8007403736371 | etot = -5.62847191752443 -123000 ekin = 4.15433540908377 | erot = 5.94071572290345 | epot = -15.7235230494646 | etot = -5.62847191747738 -124000 ekin = 4.21272085203604 | erot = 5.78590733869432 | epot = -15.6271001078552 | etot = -5.62847191712487 -125000 ekin = 4.26325970413188 | erot = 5.62467373686564 | epot = -15.5164053575234 | etot = -5.62847191652588 -126000 ekin = 4.30880597980511 | erot = 5.46113290467099 | epot = -15.3984108007452 | etot = -5.62847191626906 -127000 ekin = 4.35136313111028 | erot = 5.29960307371338 | epot = -15.2794381205813 | etot = -5.62847191575761 -128000 ekin = 4.39391383900504 | erot = 5.14386269106645 | epot = -15.1662484454473 | etot = -5.62847191537579 -129000 ekin = 4.43858036063655 | erot = 4.99693296064707 | epot = -15.0639852363964 | etot = -5.62847191511278 -130000 ekin = 4.48619887382534 | erot = 4.86092637377901 | epot = -14.9755971627246 | etot = -5.62847191512025 -131000 ekin = 4.53629967746113 | erot = 4.73552279955471 | epot = -14.9002943921703 | etot = -5.62847191515449 -132000 ekin = 4.58794392436761 | erot = 4.62012473201883 | epot = -14.8365405715611 | etot = -5.62847191517469 -133000 ekin = 4.63977927970873 | erot = 4.51475331813956 | epot = -14.7830045130166 | etot = -5.62847191516832 -134000 ekin = 4.69096227444649 | erot = 4.41936571520108 | epot = -14.7387999047824 | etot = -5.62847191513484 -135000 ekin = 4.74083332632074 | erot = 4.33399770983627 | epot = -14.7033029512379 | etot = -5.62847191508091 -136000 ekin = 4.78901374177409 | erot = 4.25873574864794 | epot = -14.6762214054334 | etot = -5.62847191501132 -137000 ekin = 4.83519033966281 | erot = 4.19345584709283 | epot = -14.657118101864 | etot = -5.6284719151084 -138000 ekin = 4.87857190019259 | erot = 4.13759960010467 | epot = -14.644643415365 | etot = -5.62847191506772 -139000 ekin = 4.9193390426864 | erot = 4.09041841408124 | epot = -14.6382293717807 | etot = -5.6284719150131 -140000 ekin = 4.95802132610715 | erot = 4.05108530565741 | epot = -14.637578546733 | etot = -5.62847191496842 -141000 ekin = 4.99519923255351 | erot = 4.01864210163599 | epot = -14.6423132491265 | etot = -5.628471914937 -142000 ekin = 5.0313403186539 | erot = 3.99210960072426 | epot = -14.6519218343063 | etot = -5.62847191492815 -143000 ekin = 5.06663282814611 | erot = 3.97056100872215 | epot = -14.6656657518145 | etot = -5.62847191494626 -144000 ekin = 5.10088003253975 | erot = 3.95318385936622 | epot = -14.6825358068963 | etot = -5.62847191499035 -145000 ekin = 5.13347728619419 | erot = 3.9393331843263 | epot = -14.7012823855752 | etot = -5.62847191505467 -146000 ekin = 5.16346418937039 | erot = 3.92856945833553 | epot = -14.7205055628366 | etot = -5.62847191513069 -147000 ekin = 5.18962884502116 | erot = 3.92067778970093 | epot = -14.7387785499314 | etot = -5.62847191520936 -148000 ekin = 5.2106363010504 | erot = 3.91566839447777 | epot = -14.7547766108106 | etot = -5.62847191528238 -149000 ekin = 5.22515818277311 | erot = 3.91376203384939 | epot = -14.7673921319653 | etot = -5.62847191534284 -150000 ekin = 5.23199081771441 | erot = 3.91536756918858 | epot = -14.7758303022875 | etot = -5.62847191538449 -151000 ekin = 5.23025857434895 | erot = 3.92102977399556 | epot = -14.7797602637297 | etot = -5.62847191538523 -152000 ekin = 5.21970456277633 | erot = 3.93136599417313 | epot = -14.7795424723193 | etot = -5.6284719153698 -153000 ekin = 5.20020715643948 | erot = 3.94729684643011 | epot = -14.7759759181577 | etot = -5.6284719152881 -154000 ekin = 5.17219962280906 | erot = 3.96989664945426 | epot = -14.7705681875103 | etot = -5.62847191524698 -155000 ekin = 5.13597939415209 | erot = 4.00025654377895 | epot = -14.7647078530831 | etot = -5.6284719151521 -156000 ekin = 5.09227456538809 | erot = 4.03969792967878 | epot = -14.7604444100931 | etot = -5.62847191502624 -157000 ekin = 5.04214374655822 | erot = 4.08965648366389 | epot = -14.7602721451221 | etot = -5.62847191489998 -158000 ekin = 4.98664076893724 | erot = 4.15175637520643 | epot = -14.766869058914 | etot = -5.62847191477032 -159000 ekin = 4.92656708226378 | erot = 4.22693785976717 | epot = -14.7819768568016 | etot = -5.62847191477063 -160000 ekin = 4.86235166664991 | erot = 4.31524574981774 | epot = -14.8060693313531 | etot = -5.6284719148854 -161000 ekin = 4.79340744408421 | erot = 4.41634192155712 | epot = -14.8382212806378 | etot = -5.6284719149965 -162000 ekin = 4.71931679137199 | erot = 4.52911647420319 | epot = -14.8769051807429 | etot = -5.62847191516769 -163000 ekin = 4.63965178837921 | erot = 4.65170333188739 | epot = -14.9198270356117 | etot = -5.62847191534509 -164000 ekin = 4.55406399624322 | erot = 4.78166301740344 | epot = -14.9641989292966 | etot = -5.62847191564991 -165000 ekin = 4.46213996067444 | erot = 4.91530272158902 | epot = -15.0059145982048 | etot = -5.62847191594139 -166000 ekin = 4.36388109534855 | erot = 5.04805357548587 | epot = -15.0404065870407 | etot = -5.62847191620628 -167000 ekin = 4.2599504684242 | erot = 5.17511068522257 | epot = -15.0635330700694 | etot = -5.62847191642261 -168000 ekin = 4.15154354282108 | erot = 5.29182746831898 | epot = -15.071842927712 | etot = -5.62847191657198 -169000 ekin = 4.04026084727468 | erot = 5.3941174772808 | epot = -15.0628502412099 | etot = -5.62847191665442 -170000 ekin = 3.92797723838317 | erot = 5.47890367159895 | epot = -15.0353528265939 | etot = -5.62847191661181 -171000 ekin = 3.81680551395809 | erot = 5.54460219961126 | epot = -14.989879630019 | etot = -5.62847191644964 -172000 ekin = 3.70912194360867 | erot = 5.59119877272675 | epot = -14.9287926324949 | etot = -5.62847191615949 -173000 ekin = 3.60767008609974 | erot = 5.62020496675997 | epot = -14.8563469686161 | etot = -5.62847191575636 -174000 ekin = 3.51593123142685 | erot = 5.63484613588073 | epot = -14.7792492818557 | etot = -5.62847191454812 -175000 ekin = 3.43946966413873 | erot = 5.64148825119093 | epot = -14.7094298295813 | etot = -5.62847191425169 -176000 ekin = 3.38149964340019 | erot = 5.64304584979603 | epot = -14.653017407222 | etot = -5.62847191402579 -177000 ekin = 3.3442630428033 | erot = 5.64075589500549 | epot = -14.6134908517392 | etot = -5.62847191393037 -178000 ekin = 3.32907821318129 | erot = 5.63429171925337 | epot = -14.5918418466206 | etot = -5.62847191418592 -179000 ekin = 3.33553286829347 | erot = 5.6208870874151 | epot = -14.5848918700472 | etot = -5.62847191433866 -180000 ekin = 3.36333384277243 | erot = 5.59827011329198 | epot = -14.5900758706826 | etot = -5.6284719146182 -181000 ekin = 3.41118322744684 | erot = 5.56369949232846 | epot = -14.6033546347478 | etot = -5.62847191497248 -182000 ekin = 3.47666657813912 | erot = 5.51442909119383 | epot = -14.6195675846747 | etot = -5.62847191534179 -183000 ekin = 3.55646627297106 | erot = 5.44847615754748 | epot = -14.633414346125 | etot = -5.62847191560643 -184000 ekin = 3.64671110623883 | erot = 5.36528131962498 | epot = -14.6404643416898 | etot = -5.62847191582594 -185000 ekin = 3.74294243854229 | erot = 5.26596644090118 | epot = -14.637380795357 | etot = -5.62847191591353 -186000 ekin = 3.84064021177402 | erot = 5.15359326678923 | epot = -14.6227053944195 | etot = -5.62847191585629 -187000 ekin = 3.93563840594996 | erot = 5.03296537332422 | epot = -14.5970756949477 | etot = -5.62847191567352 -188000 ekin = 4.02444308409284 | erot = 4.91004205202591 | epot = -14.5629570515398 | etot = -5.62847191542107 -189000 ekin = 4.10437481570296 | erot = 4.79101157925947 | epot = -14.5238583101447 | etot = -5.6284719151823 -190000 ekin = 4.17348832619979 | erot = 4.68117061833031 | epot = -14.4831308595833 | etot = -5.62847191505317 -191000 ekin = 4.2302884539443 | erot = 4.58386192798786 | epot = -14.4426222970223 | etot = -5.62847191509015 -192000 ekin = 4.27358054060644 | erot = 4.49984530057507 | epot = -14.401897756479 | etot = -5.62847191529753 -193000 ekin = 4.24592911993984 | erot = 4.46741799187496 | epot = -14.341819022691 | etot = -5.62847191087621 -194000 ekin = 4.19994174150951 | erot = 4.47173701960618 | epot = -14.3001506793668 | etot = -5.62847191825108 -195000 ekin = 4.19981139522192 | erot = 4.40365513590342 | epot = -14.2319384423487 | etot = -5.6284719112234 -196000 ekin = 4.18831859749961 | erot = 4.32821378408543 | epot = -14.1450042928948 | etot = -5.62847191130971 -197000 ekin = 4.16445522600507 | erot = 4.24686919663374 | epot = -14.0397963337823 | etot = -5.62847191114348 -198000 ekin = 4.13074920372974 | erot = 4.15919636754571 | epot = -13.9184174820235 | etot = -5.62847191074804 -199000 ekin = 4.0906207473621 | erot = 4.06700829109831 | epot = -13.7861009486908 | etot = -5.62847191023037 -200000 ekin = 4.04792338687241 | erot = 3.97356549445347 | epot = -13.6499607909698 | etot = -5.62847190964388 -201000 ekin = 4.00668244919815 | erot = 3.88277215508982 | epot = -13.5179265133902 | etot = -5.62847190910223 -202000 ekin = 3.97063392471763 | erot = 3.79828207702091 | epot = -13.39738791041 | etot = -5.62847190867151 -203000 ekin = 3.94283665189413 | erot = 3.72290259923763 | epot = -13.2942111595175 | etot = -5.62847190838577 -204000 ekin = 3.9254074337218 | erot = 3.65835216262356 | epot = -13.2122315045955 | etot = -5.62847190825009 -205000 ekin = 3.91946432177319 | erot = 3.60562062220884 | epot = -13.1535568521707 | etot = -5.62847190818863 -206000 ekin = 3.92515912499438 | erot = 3.56510062726531 | epot = -13.1187316605142 | etot = -5.62847190825449 -207000 ekin = 3.94166066189579 | erot = 3.53643554885013 | epot = -13.106568119127 | etot = -5.62847190838106 -208000 ekin = 3.96741904659629 | erot = 3.51909285318893 | epot = -13.1149838083206 | etot = -5.62847190853536 -209000 ekin = 3.99456273872661 | erot = 3.50083315850366 | epot = -13.1238678065897 | etot = -5.62847190935947 -210000 ekin = 4.04796401860243 | erot = 3.4916895489081 | epot = -13.1681254815361 | etot = -5.62847191402561 -211000 ekin = 4.09773342715978 | erot = 3.49304812012827 | epot = -13.2192534546331 | etot = -5.62847190734504 -212000 ekin = 4.14205596974334 | erot = 3.50221111647769 | epot = -13.2727389936869 | etot = -5.6284719074659 -213000 ekin = 4.18461227969207 | erot = 3.51992604962334 | epot = -13.3330102373213 | etot = -5.62847190800588 -214000 ekin = 4.22291801220966 | erot = 3.54318058637875 | epot = -13.3945705067373 | etot = -5.62847190814888 -215000 ekin = 4.25639069943993 | erot = 3.57018634832855 | epot = -13.4550489560043 | etot = -5.62847190823587 -216000 ekin = 4.2851705613071 | erot = 3.59920416165292 | epot = -13.5128466312779 | etot = -5.62847190831789 -217000 ekin = 4.3095145789128 | erot = 3.62862634730473 | epot = -13.5666128346059 | etot = -5.62847190838833 -218000 ekin = 4.33022749097504 | erot = 3.65639118247524 | epot = -13.615090581929 | etot = -5.62847190847876 -219000 ekin = 4.34822739188717 | erot = 3.68015661121684 | epot = -13.6568559116869 | etot = -5.62847190858288 -220000 ekin = 4.36437280258302 | erot = 3.69755509928667 | epot = -13.6903998105148 | etot = -5.62847190864514 -221000 ekin = 4.37954317243381 | erot = 3.70660976824472 | epot = -13.7146248493703 | etot = -5.62847190869173 -222000 ekin = 4.39451292717047 | erot = 3.70596363375557 | epot = -13.7289484695947 | etot = -5.62847190866862 -223000 ekin = 4.41008213188947 | erot = 3.69513355487642 | epot = -13.7336875953398 | etot = -5.62847190857388 -224000 ekin = 4.42678943726192 | erot = 3.67466536393742 | epot = -13.7299267097393 | etot = -5.62847190853996 -225000 ekin = 4.44460701700921 | erot = 3.64600909388212 | epot = -13.7190880192605 | etot = -5.62847190836919 -226000 ekin = 4.47380092381823 | erot = 3.58830814099014 | epot = -13.6905809780385 | etot = -5.62847191323016 -227000 ekin = 4.56056009802773 | erot = 3.47269306832678 | epot = -13.6617250773524 | etot = -5.62847191099789 -228000 ekin = 4.61083327531156 | erot = 3.40803816011208 | epot = -13.6473433475474 | etot = -5.62847191212373 -229000 ekin = 4.63150013168063 | erot = 3.35898149000683 | epot = -13.6189535337045 | etot = -5.628471912017 -230000 ekin = 4.65431068144105 | erot = 3.31343017818392 | epot = -13.5962127716262 | etot = -5.6284719120012 -231000 ekin = 4.67934821404914 | erot = 3.27332737527072 | epot = -13.5811475014857 | etot = -5.62847191216587 -232000 ekin = 4.70592354946384 | erot = 3.23944506667453 | epot = -13.5738405284603 | etot = -5.62847191232193 -233000 ekin = 4.73271416122613 | erot = 3.21144788525716 | epot = -13.5726339590425 | etot = -5.62847191255921 -234000 ekin = 4.75943444985121 | erot = 3.19078729233493 | epot = -13.5786936545781 | etot = -5.62847191239191 -235000 ekin = 4.7864224181817 | erot = 3.1802119397668 | epot = -13.5951062703947 | etot = -5.62847191244615 -236000 ekin = 4.81315037988305 | erot = 3.18017325334793 | epot = -13.6217955456975 | etot = -5.62847191246647 -237000 ekin = 4.83923297185637 | erot = 3.19145400453311 | epot = -13.6591588888804 | etot = -5.62847191249091 -238000 ekin = 4.8648758593188 | erot = 3.21481908800212 | epot = -13.7081668597345 | etot = -5.62847191241355 -239000 ekin = 4.89063931715006 | erot = 3.25114955281917 | epot = -13.7702607826829 | etot = -5.62847191271366 -240000 ekin = 4.91656145052602 | erot = 3.29901781218761 | epot = -13.8440511754903 | etot = -5.62847191277668 -241000 ekin = 4.94245255089395 | erot = 3.35699698381439 | epot = -13.9279214477111 | etot = -5.62847191300273 -242000 ekin = 4.96767380346174 | erot = 3.42365009425844 | epot = -14.0197958109202 | etot = -5.62847191320004 -243000 ekin = 5.00573446223425 | erot = 3.47030260471584 | epot = -14.1045089792095 | etot = -5.62847191225937 -244000 ekin = 5.06987350319776 | erot = 3.50985787352901 | epot = -14.2082032932938 | etot = -5.62847191656705 -245000 ekin = 5.08405115957742 | erot = 3.57323736718779 | epot = -14.2857604930736 | etot = -5.62847196630843 -246000 ekin = 5.13867281568721 | erot = 3.53022410786793 | epot = -14.2973688418941 | etot = -5.62847191833901 -247000 ekin = 5.24446071734879 | erot = 3.63707192639566 | epot = -14.5100045566461 | etot = -5.62847191290161 -248000 ekin = 5.23528120841798 | erot = 3.74023330973858 | epot = -14.6039864311642 | etot = -5.62847191300765 -249000 ekin = 5.21260078435232 | erot = 3.83729795660013 | epot = -14.6783706538235 | etot = -5.62847191287108 -250000 ekin = 5.17839081250377 | erot = 3.9274900033362 | epot = -14.7343527284458 | etot = -5.62847191260579 -251000 ekin = 5.13586036334033 | erot = 4.0110834535743 | epot = -14.7754157290643 | etot = -5.6284719121497 -252000 ekin = 5.08918292106526 | erot = 4.09018694184289 | epot = -14.8078417745573 | etot = -5.62847191164914 -253000 ekin = 5.04264218495503 | erot = 4.16759058211673 | epot = -14.8387046782788 | etot = -5.62847191120704 -254000 ekin = 4.99116344078943 | erot = 4.24248912287616 | epot = -14.8621245493479 | etot = -5.62847198568228 -255000 ekin = 4.72637462799754 | erot = 4.24407837663792 | epot = -14.5989249326008 | etot = -5.62847192796534 -256000 ekin = 4.59834109997962 | erot = 4.36369782209853 | epot = -14.5905108364853 | etot = -5.62847191440716 -257000 ekin = 4.77089539877238 | erot = 4.60066315314524 | epot = -15.0000305289775 | etot = -5.62847197705984 -258000 ekin = 4.8570424299005 | erot = 4.66807324376092 | epot = -15.1535875814136 | etot = -5.62847190775215 -259000 ekin = 4.89901811472201 | erot = 4.72718635920946 | epot = -15.2546763808543 | etot = -5.6284719069228 -260000 ekin = 4.94107094739232 | erot = 4.79406863685795 | epot = -15.3636114914084 | etot = -5.62847190715817 -261000 ekin = 4.98242309074786 | erot = 4.86508628581133 | epot = -15.4759812846185 | etot = -5.62847190805928 -262000 ekin = 5.01659840998387 | erot = 4.93871137847814 | epot = -15.5837816973619 | etot = -5.62847190889992 -263000 ekin = 5.03982661194348 | erot = 5.00983839411822 | epot = -15.6781369155683 | etot = -5.62847190950662 -264000 ekin = 5.0473269634971 | erot = 5.07389667598774 | epot = -15.7496955495902 | etot = -5.62847191010535 -265000 ekin = 5.03448807084938 | erot = 5.12688367713197 | epot = -15.7898436586188 | etot = -5.6284719106374 -266000 ekin = 4.9977343895948 | erot = 5.16480683531726 | epot = -15.7910131359604 | etot = -5.62847191104839 -267000 ekin = 4.9350849740613 | erot = 5.18388050750233 | epot = -15.7474373928655 | etot = -5.6284719113019 -268000 ekin = 4.84654531470769 | erot = 5.18063468558991 | epot = -15.6556519116805 | etot = -5.62847191138294 -269000 ekin = 4.73423214274556 | erot = 5.15198859731975 | epot = -15.5146926513545 | etot = -5.62847191128923 -270000 ekin = 4.60224202248444 | erot = 5.09540688817063 | epot = -15.3261208188922 | etot = -5.62847190823709 -271000 ekin = 4.45636876654843 | erot = 5.00923317388348 | epot = -15.0940738481978 | etot = -5.62847190776587 -272000 ekin = 4.30375505735369 | erot = 4.89315778304375 | epot = -14.8253847474932 | etot = -5.62847190709576 -273000 ekin = 4.15244061479806 | erot = 4.74862648123472 | epot = -14.5295390022931 | etot = -5.62847190626036 -274000 ekin = 4.01137482334333 | erot = 4.57896672456557 | epot = -14.2188134532218 | etot = -5.62847190531292 -275000 ekin = 3.87388872892464 | erot = 4.38950805795244 | epot = -13.8918687169895 | etot = -5.6284719301124 -276000 ekin = 3.7082814835016 | erot = 4.18975567950172 | epot = -13.5265090654672 | etot = -5.62847190246385 -277000 ekin = 3.7402518794014 | erot = 3.98894405210621 | epot = -13.3576678645653 | etot = -5.6284719330577 -278000 ekin = 3.74221760775357 | erot = 3.7703854369202 | epot = -13.1410749479138 | etot = -5.62847190324001 -279000 ekin = 3.75220115766677 | erot = 3.5579033181483 | epot = -12.938576379456 | etot = -5.6284719036409 -280000 ekin = 3.77561814014463 | erot = 3.3578165449272 | epot = -12.7619065883795 | etot = -5.62847190330772 -281000 ekin = 3.81272927484692 | erot = 3.17409695196483 | epot = -12.6152981298176 | etot = -5.62847190300587 -282000 ekin = 3.86501988036713 | erot = 3.00952640155182 | epot = -12.503018184206 | etot = -5.62847190228705 -283000 ekin = 3.9362890040686 | erot = 2.86613168182077 | epot = -12.4308925881252 | etot = -5.62847190223582 -284000 ekin = 4.02702703050248 | erot = 2.74480306500238 | epot = -12.4003019979014 | etot = -5.62847190239652 -285000 ekin = 4.14139706639939 | erot = 2.64599110157981 | epot = -12.4158600691656 | etot = -5.62847190118639 -286000 ekin = 4.28525774918125 | erot = 2.56950762489294 | epot = -12.4832372763209 | etot = -5.62847190224672 -287000 ekin = 4.44987555795525 | erot = 2.5149381006836 | epot = -12.5932855609563 | etot = -5.62847190231741 -288000 ekin = 4.63520922264803 | erot = 2.48100112555659 | epot = -12.744682251547 | etot = -5.62847190334237 -289000 ekin = 4.83125797005639 | erot = 2.46527241539591 | epot = -12.9250022896872 | etot = -5.62847190423491 -290000 ekin = 5.02763799219549 | erot = 2.46542435681899 | epot = -13.1215342541 | etot = -5.6284719050855 -291000 ekin = 5.21465468575924 | erot = 2.47913524144599 | epot = -13.3222618329691 | etot = -5.62847190576391 -292000 ekin = 5.3847234879029 | erot = 2.50416430329084 | epot = -13.517359697432 | etot = -5.62847190623821 -293000 ekin = 5.53302487062993 | erot = 2.53823701976372 | epot = -13.6997337969552 | etot = -5.6284719065615 -294000 ekin = 5.65718701899563 | erot = 2.57877496353037 | epot = -13.8644338893367 | etot = -5.62847190681068 -295000 ekin = 5.75652780496736 | erot = 2.62269919784114 | epot = -14.0076989098374 | etot = -5.62847190702888 -296000 ekin = 5.83139499491576 | erot = 2.66652171228997 | epot = -14.1263886144134 | etot = -5.62847190720766 -297000 ekin = 5.88282356332315 | erot = 2.70675614330105 | epot = -14.2180516139345 | etot = -5.62847190731032 -298000 ekin = 5.91239748765354 | erot = 2.74048494300751 | epot = -14.28135433797 | etot = -5.62847190730891 -299000 ekin = 5.92208198046629 | erot = 2.7658529930204 | epot = -14.316406880692 | etot = -5.62847190720535 -300000 ekin = 5.91390942018959 | erot = 2.78233336188536 | epot = -14.3247146891001 | etot = -5.62847190702514 -301000 ekin = 5.88962133511467 | erot = 2.79074353675826 | epot = -14.3088367786671 | etot = -5.62847190679412 -302000 ekin = 5.85048781421153 | erot = 2.79307875791624 | epot = -14.2720384786503 | etot = -5.62847190652251 -303000 ekin = 5.79743517877201 | erot = 2.79223225552499 | epot = -14.2181393405065 | etot = -5.62847190620952 -304000 ekin = 5.73124340760714 | erot = 2.79262915089218 | epot = -14.1523444641626 | etot = -5.6284719056633 -305000 ekin = 5.65258268469942 | erot = 2.79940899091102 | epot = -14.0804635809916 | etot = -5.6284719053812 -306000 ekin = 5.56254653523126 | erot = 2.81503734235127 | epot = -14.0060557827405 | etot = -5.62847190515797 -307000 ekin = 5.46251129680734 | erot = 2.84075892386061 | epot = -13.9317421257017 | etot = -5.6284719050337 -308000 ekin = 5.35391293499779 | erot = 2.87633235164085 | epot = -13.8587171916706 | etot = -5.62847190503193 -309000 ekin = 5.2380500741146 | erot = 2.9199694072312 | epot = -13.7864913863811 | etot = -5.6284719050353 -310000 ekin = 5.11613875822227 | erot = 2.96880482959777 | epot = -13.7134154931058 | etot = -5.62847190528572 -311000 ekin = 4.98925852659027 | erot = 3.01839769775414 | epot = -13.6361281298119 | etot = -5.62847190546746 -312000 ekin = 4.85867326621938 | erot = 3.06421411593107 | epot = -13.5513592877722 | etot = -5.62847190562172 -313000 ekin = 4.7258511266702 | erot = 3.1023659032956 | epot = -13.4566889356293 | etot = -5.62847190566349 -314000 ekin = 4.59293421045906 | erot = 3.13002199528668 | epot = -13.3514281113023 | etot = -5.62847190555656 -315000 ekin = 4.4627066997121 | erot = 3.1458895038724 | epot = -13.2370681089019 | etot = -5.62847190531736 -316000 ekin = 4.33845457033799 | erot = 3.1501698931791 | epot = -13.1170963685019 | etot = -5.62847190498479 -317000 ekin = 4.22370149066824 | erot = 3.14429402986985 | epot = -12.9964674251447 | etot = -5.62847190460657 -318000 ekin = 4.12188681800263 | erot = 3.13056754977998 | epot = -12.8809262720081 | etot = -5.62847190422546 -319000 ekin = 4.03607214171397 | erot = 3.11184182787036 | epot = -12.7763858734547 | etot = -5.62847190387036 -320000 ekin = 3.96873641008349 | erot = 3.09128048611739 | epot = -12.6884887997534 | etot = -5.62847190355248 -321000 ekin = 3.92167797368866 | erot = 3.07226107993941 | epot = -12.6224109568985 | etot = -5.6284719032704 -322000 ekin = 3.89600971422094 | erot = 3.05833648374314 | epot = -12.5828181009917 | etot = -5.62847190302759 -323000 ekin = 3.89216326551481 | erot = 3.05323078719935 | epot = -12.5738659555504 | etot = -5.62847190283626 -324000 ekin = 3.90971752720339 | erot = 3.06065920136955 | epot = -12.5988486315721 | etot = -5.62847190299919 -325000 ekin = 3.94474197766764 | erot = 3.08325557841874 | epot = -12.6564694593348 | etot = -5.62847190324846 -326000 ekin = 3.99225791211204 | erot = 3.12131666195002 | epot = -12.7420464778336 | etot = -5.62847190377152 -327000 ekin = 4.04715751818241 | erot = 3.17277573872173 | epot = -12.8484051614778 | etot = -5.62847190457363 -328000 ekin = 4.10306827948992 | erot = 3.23289809100065 | epot = -12.9644382760915 | etot = -5.6284719056009 -329000 ekin = 4.15294077796389 | erot = 3.29460254685397 | epot = -13.0760152314918 | etot = -5.62847190667399 -330000 ekin = 4.19046086377944 | erot = 3.34957314357915 | epot = -13.1685059148607 | etot = -5.62847190750214 -331000 ekin = 4.2118793670419 | erot = 3.38989153265597 | epot = -13.2302428076658 | etot = -5.62847190796793 -332000 ekin = 4.21589857653174 | erot = 3.41075094374202 | epot = -13.2551214281287 | etot = -5.62847190785492 -333000 ekin = 4.20485265999827 | erot = 3.41174399824639 | epot = -13.2450685654392 | etot = -5.62847190719455 -334000 ekin = 4.1843536827594 | erot = 3.39692225044426 | epot = -13.2097478393623 | etot = -5.6284719061587 -335000 ekin = 4.16205455861251 | erot = 3.37367623594548 | epot = -13.1642026995451 | etot = -5.62847190498714 -336000 ekin = 4.1460949142031 | erot = 3.3509330966684 | epot = -13.1254999147759 | etot = -5.62847190390443 -337000 ekin = 4.14364358930878 | erot = 3.33736964606301 | epot = -13.1094851384434 | etot = -5.62847190307165 -338000 ekin = 4.15982493122452 | erot = 3.33968220643248 | epot = -13.1279790403876 | etot = -5.6284719027306 -339000 ekin = 4.19714166715088 | erot = 3.36120406394892 | epot = -13.1868176337066 | etot = -5.62847190260677 -340000 ekin = 4.25518474380122 | erot = 3.4039445653472 | epot = -13.2876012119478 | etot = -5.62847190279942 -341000 ekin = 4.33079125359022 | erot = 3.46797257818314 | epot = -13.4272357350123 | etot = -5.62847190323897 -342000 ekin = 4.41854745257256 | erot = 3.55173943759823 | epot = -13.5987587940178 | etot = -5.62847190384704 -343000 ekin = 4.51153864836906 | erot = 3.65250494550473 | epot = -13.7925154984214 | etot = -5.62847190454758 -344000 ekin = 4.60219231316278 | erot = 3.76671918647694 | epot = -13.997383404895 | etot = -5.62847190525523 -345000 ekin = 4.68312343518434 | erot = 3.89042211424212 | epot = -14.2020174553304 | etot = -5.62847190590392 -346000 ekin = 4.74786790538395 | erot = 4.01955036383398 | epot = -14.3958901756605 | etot = -5.62847190644256 -347000 ekin = 4.79150376885031 | erot = 4.15019529883626 | epot = -14.570170974482 | etot = -5.62847190679546 -348000 ekin = 4.81117855584605 | erot = 4.27877359763711 | epot = -14.7184240605328 | etot = -5.62847190704966 -349000 ekin = 4.80564918858633 | erot = 4.40205662691615 | epot = -14.8361777226707 | etot = -5.62847190716826 -350000 ekin = 4.77545945328664 | erot = 4.51714564004611 | epot = -14.9210770005263 | etot = -5.62847190719351 -351000 ekin = 4.72262273321912 | erot = 4.62116010887816 | epot = -14.9722547493018 | etot = -5.62847190720455 -352000 ekin = 4.65007958814178 | erot = 4.71078593020453 | epot = -14.9893374256266 | etot = -5.62847190728032 -353000 ekin = 4.56109157465487 | erot = 4.78180335583479 | epot = -14.9713668379528 | etot = -5.62847190746318 -354000 ekin = 4.45876151246763 | erot = 4.82895979647041 | epot = -14.9161932166616 | etot = -5.62847190772354 -355000 ekin = 4.34584612945812 | erot = 4.84663553108592 | epot = -14.8209535684691 | etot = -5.62847190792508 -356000 ekin = 4.22495470321296 | erot = 4.83038190908695 | epot = -14.6838085201897 | etot = -5.62847190788983 -357000 ekin = 4.09903296595125 | erot = 4.77873075093683 | epot = -14.5062356243708 | etot = -5.62847190748272 -358000 ekin = 3.97178667556286 | erot = 4.69444561049642 | epot = -14.2947041927689 | etot = -5.62847190670957 -359000 ekin = 3.8476729892966 | erot = 4.58431182213742 | epot = -14.0604567171869 | etot = -5.6284719057529 -360000 ekin = 3.73136439808726 | erot = 4.45746613157886 | epot = -13.8173024344245 | etot = -5.6284719047584 -361000 ekin = 3.62758093165404 | erot = 4.32379064505613 | epot = -13.5798434807421 | etot = -5.62847190403191 -362000 ekin = 3.54294892306447 | erot = 4.19358097114755 | epot = -13.3650017978897 | etot = -5.62847190367769 -363000 ekin = 3.47837311691063 | erot = 4.07207692082534 | epot = -13.1789219412937 | etot = -5.62847190355768 -364000 ekin = 3.43225009805705 | erot = 3.96193194141938 | epot = -13.0226539430639 | etot = -5.62847190358748 -365000 ekin = 3.40198388463041 | erot = 3.86460642705461 | epot = -12.8950622153704 | etot = -5.62847190368535 -366000 ekin = 3.38451833851882 | erot = 3.78104622244732 | epot = -12.7940364647476 | etot = -5.62847190378146 -367000 ekin = 3.37682483157754 | erot = 3.71218000857372 | epot = -12.7174767439928 | etot = -5.62847190384158 -368000 ekin = 3.37625204138126 | erot = 3.65912147822725 | epot = -12.6638454234616 | etot = -5.62847190385309 -369000 ekin = 3.38074636726359 | erot = 3.62312680344336 | epot = -12.6323450745323 | etot = -5.62847190382536 -370000 ekin = 3.38894636698295 | erot = 3.60538856636925 | epot = -12.6228068371721 | etot = -5.62847190381985 -371000 ekin = 3.40011634059559 | erot = 3.6067233363779 | epot = -12.6353115807203 | etot = -5.62847190374679 -372000 ekin = 3.41430323562447 | erot = 3.62748920223736 | epot = -12.6702643415601 | etot = -5.62847190369825 -373000 ekin = 3.43217624795184 | erot = 3.66740997408352 | epot = -12.7280581255783 | etot = -5.62847190354296 -374000 ekin = 3.45538314685729 | erot = 3.72532070766163 | epot = -12.8091757581464 | etot = -5.62847190362742 -375000 ekin = 3.48458983102994 | erot = 3.79950576965856 | epot = -12.9125675044443 | etot = -5.62847190375577 -376000 ekin = 3.51994630863055 | erot = 3.88772077541103 | epot = -13.0361389879669 | etot = -5.62847190392536 -377000 ekin = 3.56162263238966 | erot = 3.98718032086514 | epot = -13.1772748573483 | etot = -5.62847190409348 -378000 ekin = 3.61009229018706 | erot = 4.09470007581098 | epot = -13.3332642703023 | etot = -5.62847190430421 -379000 ekin = 3.66621939251756 | erot = 4.20668278515704 | epot = -13.5013740821171 | etot = -5.6284719044425 -380000 ekin = 3.73222313434711 | erot = 4.31893025305218 | epot = -13.6796252922782 | etot = -5.6284719048789 -381000 ekin = 3.80656943723105 | erot = 4.42661769094334 | epot = -13.8616590336251 | etot = -5.62847190545074 -382000 ekin = 3.88594558525596 | erot = 4.52459411505487 | epot = -14.0390116063945 | etot = -5.62847190608362 -383000 ekin = 3.96695089999006 | erot = 4.6074743389479 | epot = -14.2028971456622 | etot = -5.6284719067242 -384000 ekin = 4.04619645067071 | erot = 4.66967915257488 | epot = -14.3443475105423 | etot = -5.62847190729674 -385000 ekin = 4.12092029136871 | erot = 4.70599192062502 | epot = -14.4553841196635 | etot = -5.62847190766981 -386000 ekin = 4.18945537162048 | erot = 4.71237691681024 | epot = -14.5303041965371 | etot = -5.6284719081064 -387000 ekin = 4.24770733744385 | erot = 4.68531871644071 | epot = -14.5614979619391 | etot = -5.62847190805457 -388000 ekin = 4.29400518231676 | erot = 4.62433064765631 | epot = -14.5468077376841 | etot = -5.62847190771105 -389000 ekin = 4.32973751034707 | erot = 4.53230747815749 | epot = -14.4905168956691 | etot = -5.62847190716457 -390000 ekin = 4.35696496431921 | erot = 4.41432356915973 | epot = -14.3997604400478 | etot = -5.62847190656889 -391000 ekin = 4.37768888460159 | erot = 4.27672755001584 | epot = -14.2828883405545 | etot = -5.62847190593708 -392000 ekin = 4.39398588700028 | erot = 4.12625191225844 | epot = -14.1487097046389 | etot = -5.62847190538021 -393000 ekin = 4.40738241117469 | erot = 3.96936593196301 | epot = -14.0052202479613 | etot = -5.62847190482363 -394000 ekin = 4.41937568154892 | erot = 3.81285278687849 | epot = -13.8607003730906 | etot = -5.62847190466318 -395000 ekin = 4.42988768163888 | erot = 3.66065946576215 | epot = -13.7190190519324 | etot = -5.62847190453133 -396000 ekin = 4.43847476588974 | erot = 3.51525603215528 | epot = -13.5822027024369 | etot = -5.62847190439185 -397000 ekin = 4.44517728396978 | erot = 3.3789151277788 | epot = -13.4525643159655 | etot = -5.62847190421697 -398000 ekin = 4.45064950026053 | erot = 3.25392386318775 | epot = -13.333045267445 | etot = -5.62847190399669 -399000 ekin = 4.45613851377508 | erot = 3.1426965188145 | epot = -13.2273069363885 | etot = -5.62847190379889 -400000 ekin = 4.46297608305882 | erot = 3.04745583064984 | epot = -13.1389038172541 | etot = -5.62847190354543 -401000 ekin = 4.4727554600185 | erot = 2.97053701410719 | epot = -13.0717643774856 | etot = -5.62847190335986 -402000 ekin = 4.48672336701126 | erot = 2.91396522579777 | epot = -13.0291604961498 | etot = -5.62847190334076 -403000 ekin = 4.50482841072425 | erot = 2.87870251809156 | epot = -13.0120028324313 | etot = -5.62847190361552 -404000 ekin = 4.52484325730512 | erot = 2.86379686214208 | epot = -13.0171120236989 | etot = -5.62847190425173 -405000 ekin = 4.54178669953347 | erot = 2.865351205685 | epot = -13.0356098106956 | etot = -5.62847190547714 -406000 ekin = 4.54812186977296 | erot = 2.87565623453583 | epot = -13.0522500109057 | etot = -5.62847190659687 -407000 ekin = 4.53567765662224 | erot = 2.88781666333792 | epot = -13.0519662273823 | etot = -5.6284719074221 -408000 ekin = 4.4980683987241 | erot = 2.89717319275447 | epot = -13.0237134991285 | etot = -5.62847190764996 -409000 ekin = 4.43289041825228 | erot = 2.90293173430014 | epot = -12.9642940598285 | etot = -5.62847190727608 -410000 ekin = 4.34222243511571 | erot = 2.907845717641 | epot = -12.8785400593029 | etot = -5.62847190654618 -411000 ekin = 4.23122328981815 | erot = 2.91632332330752 | epot = -12.7760185189212 | etot = -5.62847190579552 -412000 ekin = 4.10591302468899 | erot = 2.93234263226303 | epot = -12.6667275621878 | etot = -5.62847190523582 -413000 ekin = 3.97147909136044 | erot = 2.95826875338062 | epot = -12.5582197496474 | etot = -5.62847190490633 -414000 ekin = 3.83169645328768 | erot = 2.9948721544054 | epot = -12.4550405124367 | etot = -5.62847190474364 -415000 ekin = 3.6891555688651 | erot = 3.04191716153679 | epot = -12.3595446350677 | etot = -5.62847190466582 -416000 ekin = 3.54575553257446 | erot = 3.09878213613395 | epot = -12.273009573321 | etot = -5.62847190461262 -417000 ekin = 3.4031527114646 | erot = 3.16484246791805 | epot = -12.1964670839352 | etot = -5.62847190455257 -418000 ekin = 3.2630625387357 | erot = 3.23960054554213 | epot = -12.1311349887514 | etot = -5.62847190447353 -419000 ekin = 3.12743539446411 | erot = 3.32265867811468 | epot = -12.0785659769522 | etot = -5.62847190437341 -420000 ekin = 2.99854685248433 | erot = 3.41362396345561 | epot = -12.0406427201965 | etot = -5.62847190425657 -421000 ekin = 2.8790171249261 | erot = 3.51197880379119 | epot = -12.0194678328541 | etot = -5.62847190413685 -422000 ekin = 2.77174596052497 | erot = 3.61690112203241 | epot = -12.0171189865995 | etot = -5.6284719040421 -423000 ekin = 2.67973794664943 | erot = 3.72700827485983 | epot = -12.0352181255247 | etot = -5.62847190401542 -424000 ekin = 2.60579870928978 | erot = 3.84002717527953 | epot = -12.0742977886825 | etot = -5.62847190411323 -425000 ekin = 2.55208954527813 | erot = 3.95244167892761 | epot = -12.1330031286051 | etot = -5.62847190439931 -426000 ekin = 2.51954653045088 | erot = 4.05920212806556 | epot = -12.2072205634469 | etot = -5.62847190493043 -427000 ekin = 2.50725893891138 | erot = 4.15363681829288 | epot = -12.2893676629198 | etot = -5.62847190571556 -428000 ekin = 2.51210485175689 | erot = 4.22782399613665 | epot = -12.3684007545436 | etot = -5.62847190665006 -429000 ekin = 2.52911833233697 | erot = 4.2737736907183 | epot = -12.4313639305362 | etot = -5.6284719074809 -430000 ekin = 2.55284926701683 | erot = 4.28551618826417 | epot = -12.4668373631705 | etot = -5.62847190788946 -431000 ekin = 2.57924139420927 | erot = 4.26142412036794 | epot = -12.4691374222607 | etot = -5.6284719076835 -432000 ekin = 2.60692475467972 | erot = 4.20541068246265 | epot = -12.44080734408 | etot = -5.62847190693765 -433000 ekin = 2.63712842983791 | erot = 4.12604912501302 | epot = -12.3916494607872 | etot = -5.62847190593631 -434000 ekin = 2.67245542242985 | erot = 4.03405948921243 | epot = -12.3349868166314 | etot = -5.6284719049891 -435000 ekin = 2.71543854641989 | erot = 3.93961255970565 | epot = -12.2835230104102 | etot = -5.62847190428466 -436000 ekin = 2.76760991343227 | erot = 3.85063248522813 | epot = -12.2467143025376 | etot = -5.62847190387721 -437000 ekin = 2.8292051567323 | erot = 3.77223859649821 | epot = -12.2299156569577 | etot = -5.62847190372722 -438000 ekin = 2.89929820060249 | erot = 3.7070750997431 | epot = -12.2348452041141 | etot = -5.62847190376851 -439000 ekin = 2.97609334156584 | erot = 3.6559037238806 | epot = -12.2604689693874 | etot = -5.62847190394097 -440000 ekin = 3.05720906613854 | erot = 3.61815200782747 | epot = -12.303832978167 | etot = -5.62847190420102 -441000 ekin = 3.1398967282964 | erot = 3.59232302398487 | epot = -12.3606916567996 | etot = -5.62847190451835 -442000 ekin = 3.22119927519208 | erot = 3.57626892518812 | epot = -12.4259401052542 | etot = -5.62847190487397 -443000 ekin = 3.29807867302421 | erot = 3.5673797299487 | epot = -12.4939303082205 | etot = -5.6284719052476 -444000 ekin = 3.36753883944261 | erot = 3.56276348926376 | epot = -12.5587742343254 | etot = -5.62847190561903 -445000 ekin = 3.42676046581308 | erot = 3.55942025918125 | epot = -12.6146526309603 | etot = -5.62847190596595 -446000 ekin = 3.47324383647127 | erot = 3.55443462308419 | epot = -12.6561503658249 | etot = -5.62847190626945 -447000 ekin = 3.50497354376538 | erot = 3.54511419619435 | epot = -12.6785596464668 | etot = -5.62847190650708 -448000 ekin = 3.5205621308358 | erot = 3.52974100710101 | epot = -12.6787750444576 | etot = -5.6284719065208 -449000 ekin = 3.51939696591144 | erot = 3.50705904511163 | epot = -12.654927917629 | etot = -5.62847190660589 -450000 ekin = 3.50164536053703 | erot = 3.47565071066306 | epot = -12.6057679778004 | etot = -5.62847190660035 -451000 ekin = 3.4682479070786 | erot = 3.43472151203002 | epot = -12.5314413256108 | etot = -5.62847190650218 -452000 ekin = 3.42090312736728 | erot = 3.38414558729872 | epot = -12.4335206209786 | etot = -5.62847190631264 -453000 ekin = 3.36201791828429 | erot = 3.32449206046017 | epot = -12.3149818847815 | etot = -5.62847190603699 -454000 ekin = 3.29463316060487 | erot = 3.25701739819663 | epot = -12.1801224644864 | etot = -5.6284719056849 -455000 ekin = 3.2223327489859 | erot = 3.18360703277374 | epot = -12.0344116870298 | etot = -5.62847190527019 -456000 ekin = 3.14914248628389 | erot = 3.1066699219853 | epot = -11.8842843130808 | etot = -5.62847190481165 -457000 ekin = 3.0793973717258 | erot = 3.02894564058875 | epot = -11.7368149166548 | etot = -5.62847190434023 -458000 ekin = 3.01756413267452 | erot = 2.95322108562799 | epot = -11.5992571221551 | etot = -5.62847190385259 -459000 ekin = 2.96810632523009 | erot = 2.88249754736279 | epot = -11.4790757759985 | etot = -5.62847190340562 -460000 ekin = 2.93513889002095 | erot = 2.81955267520888 | epot = -11.3831634682652 | etot = -5.6284719030354 -461000 ekin = 2.92205746387525 | erot = 2.7666923490783 | epot = -11.3172217157336 | etot = -5.62847190278005 -462000 ekin = 2.93114290149457 | erot = 2.72556812595561 | epot = -11.2851829301233 | etot = -5.6284719026731 -463000 ekin = 2.96319319679395 | erot = 2.69703193761103 | epot = -11.288697037142 | etot = -5.62847190273704 -464000 ekin = 3.01726238568113 | erot = 2.68105615129806 | epot = -11.3267904399551 | etot = -5.62847190297594 -465000 ekin = 3.09058398931695 | erot = 2.67674994758621 | epot = -11.3958058402738 | etot = -5.62847190337063 -466000 ekin = 3.17872270899957 | erot = 2.68248866699804 | epot = -11.489683279879 | etot = -5.62847190388135 -467000 ekin = 3.27594114495932 | erot = 2.69614045585002 | epot = -11.6005535052649 | etot = -5.6284719044556 -468000 ekin = 3.37571282133761 | erot = 2.71534026239567 | epot = -11.7195249887735 | etot = -5.6284719050402 -469000 ekin = 3.47128178262778 | erot = 2.7377467976262 | epot = -11.8375004858446 | etot = -5.62847190559065 -470000 ekin = 3.55617737699106 | erot = 2.76123628660843 | epot = -11.9458855696743 | etot = -5.62847190607478 -471000 ekin = 3.62463309399701 | erot = 2.78402790003451 | epot = -12.0371329005012 | etot = -5.62847190646968 -472000 ekin = 3.67190559892461 | erot = 2.80477124778385 | epot = -12.1051487534659 | etot = -5.62847190675745 -473000 ekin = 3.69451868440951 | erot = 2.82263116140768 | epot = -12.145621752738 | etot = -5.62847190692085 -474000 ekin = 3.69045746331418 | erot = 2.83737882568526 | epot = -12.1563081959457 | etot = -5.62847190694629 -475000 ekin = 3.65932116350768 | erot = 2.84946541726958 | epot = -12.1372584876029 | etot = -5.62847190682564 -476000 ekin = 3.60242486138673 | erot = 2.8600401649875 | epot = -12.0909369329348 | etot = -5.62847190656053 -477000 ekin = 3.52282746240149 | erot = 2.87088465735749 | epot = -12.0221840259214 | etot = -5.62847190616243 -478000 ekin = 3.42525452630285 | erot = 2.88424967270373 | epot = -11.9379761046732 | etot = -5.62847190566661 -479000 ekin = 3.31588349739548 | erot = 2.90254646896433 | epot = -11.8469018714766 | etot = -5.62847190511681 -480000 ekin = 3.2019294924653 | erot = 2.92801081390987 | epot = -11.7584122109543 | etot = -5.62847190457915 -481000 ekin = 3.0910210684156 | erot = 2.96227510040754 | epot = -11.6817680729574 | etot = -5.62847190413424 -482000 ekin = 2.99039932402286 | erot = 3.0059083936905 | epot = -11.6247796215779 | etot = -5.62847190386453 -483000 ekin = 2.90605693345808 | erot = 3.05799802963961 | epot = -11.592526866934 | etot = -5.62847190383634 -484000 ekin = 2.84200171525942 | erot = 3.11586840863149 | epot = -11.5863420279703 | etot = -5.62847190407938 -485000 ekin = 2.81072036470051 | erot = 3.03665546467488 | epot = -11.4758477219126 | etot = -5.62847189253722 -486000 ekin = 2.99172671788758 | erot = 2.89028588608681 | epot = -11.5104845147026 | etot = -5.62847191072822 -487000 ekin = 3.04661020884121 | erot = 2.89516257154487 | epot = -11.570244686021 | etot = -5.62847190563488 -488000 ekin = 3.02813445463 | erot = 2.9175581417469 | epot = -11.5741645019129 | etot = -5.62847190553598 -489000 ekin = 3.02918173190651 | erot = 2.94703274341716 | epot = -11.6046863809266 | etot = -5.62847190560288 -490000 ekin = 3.04920929976127 | erot = 2.98299921438025 | epot = -11.6606804199631 | etot = -5.62847190582156 -491000 ekin = 3.08564623422967 | erot = 3.02458607701 | epot = -11.7387042173596 | etot = -5.62847190611991 -492000 ekin = 3.13426650215683 | erot = 3.07113014036604 | epot = -11.8338685489617 | etot = -5.62847190643878 -493000 ekin = 3.19024782356761 | erot = 3.12246736374655 | epot = -11.9411870939609 | etot = -5.62847190664674 -494000 ekin = 3.24418110402754 | erot = 3.17757093524548 | epot = -12.0502240477908 | etot = -5.62847200851778 -495000 ekin = 3.12930691885668 | erot = 3.12025770002207 | epot = -11.8780365337095 | etot = -5.62847191483072 -496000 ekin = 3.38154400854628 | erot = 3.12702216680309 | epot = -12.1370381395603 | etot = -5.6284719642109 -497000 ekin = 3.53796334303899 | erot = 3.21345240183637 | epot = -12.3798876661138 | etot = -5.62847192123843 -498000 ekin = 3.54725242244754 | erot = 3.3127481569391 | epot = -12.4884725006426 | etot = -5.62847192125599 -499000 ekin = 3.54686752392577 | erot = 3.42936350670757 | epot = -12.6047029519806 | etot = -5.6284719213473 -500000 ekin = 3.53611629144012 | erot = 3.5621447184836 | epot = -12.7267329314377 | etot = -5.62847192151396 -501000 ekin = 3.51474019583912 | erot = 3.70831240062115 | epot = -12.8515245182196 | etot = -5.62847192175937 -502000 ekin = 3.48291543616965 | erot = 3.86351597857756 | epot = -12.9749033367392 | etot = -5.62847192199196 -503000 ekin = 3.44167367984362 | erot = 4.02200657194786 | epot = -13.0921521741401 | etot = -5.62847192234864 -504000 ekin = 3.39166561938215 | erot = 4.17733332041883 | epot = -13.1974708625427 | etot = -5.62847192274173 -505000 ekin = 3.33344269451075 | erot = 4.32266370126612 | epot = -13.2845783189097 | etot = -5.62847192313282 -506000 ekin = 3.26726906279832 | erot = 4.45157764163063 | epot = -13.3473186278291 | etot = -5.62847192340013 -507000 ekin = 3.19388361649876 | erot = 4.55898983228577 | epot = -13.3813453722705 | etot = -5.62847192348593 -508000 ekin = 3.11462724049333 | erot = 4.64207406471296 | epot = -13.3851732285416 | etot = -5.62847192333527 -509000 ekin = 3.03154551890378 | erot = 4.7008320264318 | epot = -13.3608494682921 | etot = -5.62847192295648 -510000 ekin = 2.94513058611812 | erot = 4.73730594221542 | epot = -13.3109084508205 | etot = -5.62847192248693 -511000 ekin = 2.85640718494606 | erot = 4.75516581382221 | epot = -13.2400449206904 | etot = -5.62847192192215 -512000 ekin = 2.76854482525136 | erot = 4.75962991523102 | epot = -13.1566466618477 | etot = -5.62847192136531 -513000 ekin = 2.68465921483057 | erot = 4.75599513194296 | epot = -13.0691262676726 | etot = -5.6284719208991 -514000 ekin = 2.60745568314055 | erot = 4.74870168659942 | epot = -12.9846292903236 | etot = -5.62847192058367 -515000 ekin = 2.53899080263876 | erot = 4.74082869238932 | epot = -12.9082914154344 | etot = -5.62847192040632 -516000 ekin = 2.48057862896529 | erot = 4.73416754063632 | epot = -12.8432180899589 | etot = -5.62847192035728 -517000 ekin = 2.43281299020053 | erot = 4.72933651073047 | epot = -12.7906214213348 | etot = -5.62847192040378 -518000 ekin = 2.39567246200523 | erot = 4.72611868195825 | epot = -12.7502630644689 | etot = -5.62847192050539 -519000 ekin = 2.36868008077252 | erot = 4.72386163460167 | epot = -12.7210136359953 | etot = -5.62847192062108 -520000 ekin = 2.35109068031693 | erot = 4.72186744279644 | epot = -12.7014300438287 | etot = -5.6284719207153 -521000 ekin = 2.34207426124088 | erot = 4.71970227703855 | epot = -12.6902484590462 | etot = -5.62847192076676 -522000 ekin = 2.34085858396855 | erot = 4.71735113731658 | epot = -12.6866816420588 | etot = -5.62847192077371 -523000 ekin = 2.34541603965411 | erot = 4.65571671269724 | epot = -12.6296046828338 | etot = -5.62847193048247 -524000 ekin = 2.39460269540065 | erot = 4.54409239676948 | epot = -12.5671670124494 | etot = -5.62847192027929 -525000 ekin = 2.51755565348139 | erot = 4.49060445326918 | epot = -12.6366320324754 | etot = -5.62847192572488 -526000 ekin = 2.63891940339899 | erot = 4.49670026132054 | epot = -12.7640916025052 | etot = -5.62847193778565 -527000 ekin = 2.6813055707917 | erot = 4.50503337381134 | epot = -12.8148108746973 | etot = -5.62847193009429 -528000 ekin = 2.71450795011646 | erot = 4.51098798634719 | epot = -12.8539678666578 | etot = -5.62847193019411 -529000 ekin = 2.74727192395392 | erot = 4.51402301147703 | epot = -12.8897668656952 | etot = -5.62847193026422 -530000 ekin = 2.77952118315639 | erot = 4.51256666257021 | epot = -12.9205597760171 | etot = -5.62847193029047 -531000 ekin = 2.81130699780534 | erot = 4.50555264770546 | epot = -12.94533157578 | etot = -5.62847193026921 -532000 ekin = 2.8427455322915 | erot = 4.49253106983453 | epot = -12.9637485323352 | etot = -5.62847193020913 -533000 ekin = 2.8739331377113 | erot = 4.47361780236023 | epot = -12.9760228702018 | etot = -5.62847193013024 -534000 ekin = 2.90486933808867 | erot = 4.44928844618011 | epot = -12.9826297143247 | etot = -5.62847193005592 -535000 ekin = 2.93541519866179 | erot = 4.42010482066211 | epot = -12.9839919493258 | etot = -5.62847193000187 -536000 ekin = 2.96529830148253 | erot = 4.38649798396238 | epot = -12.9802682154175 | etot = -5.62847192997261 -537000 ekin = 2.99415467151137 | erot = 4.34867665836684 | epot = -12.9713032598312 | etot = -5.62847192995302 -538000 ekin = 3.02158801649141 | erot = 4.30669342609836 | epot = -12.9567533725424 | etot = -5.62847192995266 -539000 ekin = 3.04722844372971 | erot = 4.26048951905113 | epot = -12.9361898927295 | etot = -5.6284719299487 -540000 ekin = 3.07077963643188 | erot = 4.21000980478769 | epot = -12.9092613711513 | etot = -5.62847192993171 -541000 ekin = 3.09204730615951 | erot = 4.1553506158546 | epot = -12.8758698519111 | etot = -5.62847192989701 -542000 ekin = 3.11094831332664 | erot = 4.09682671838313 | epot = -12.8362469615538 | etot = -5.62847192984404 -543000 ekin = 3.12750284881959 | erot = 4.03499383130505 | epot = -12.7909686099003 | etot = -5.62847192977567 -544000 ekin = 3.14181233917185 | erot = 3.97062692619834 | epot = -12.740911195071 | etot = -5.6284719297008 -545000 ekin = 3.15402369277451 | erot = 3.90462208415743 | epot = -12.6871177065597 | etot = -5.62847192962772 -546000 ekin = 3.16427777376711 | erot = 3.83809465726173 | epot = -12.6308443605884 | etot = -5.62847192955952 -547000 ekin = 3.17263245314557 | erot = 3.77248542235981 | epot = -12.5735898050378 | etot = -5.62847192953238 -548000 ekin = 3.17905114127096 | erot = 3.70842416473845 | epot = -12.5159472355489 | etot = -5.62847192953947 -549000 ekin = 3.18335924851634 | erot = 3.64619443421479 | epot = -12.4580256122707 | etot = -5.6284719295396 -550000 ekin = 3.18506506659006 | erot = 3.58603484426971 | epot = -12.3995718405133 | etot = -5.62847192965355 -551000 ekin = 3.18354118865114 | erot = 3.52751972612761 | epot = -12.339532844571 | etot = -5.62847192979223 -552000 ekin = 3.17814056098796 | erot = 3.46973317227236 | epot = -12.2763456631941 | etot = -5.62847192993373 -553000 ekin = 3.16816249046617 | erot = 3.41187716291749 | epot = -12.2085115834286 | etot = -5.62847193004495 -554000 ekin = 3.15297464055059 | erot = 3.3536338689097 | epot = -12.1350804395488 | etot = -5.62847193008849 -555000 ekin = 3.13218065540938 | erot = 3.29554931590078 | epot = -12.0562019013401 | etot = -5.62847193002996 -556000 ekin = 3.10581995741923 | erot = 3.239328904532 | epot = -11.973620791798 | etot = -5.62847192984672 -557000 ekin = 3.07457883896461 | erot = 3.18795403306403 | epot = -11.8910048015599 | etot = -5.62847192953126 -558000 ekin = 3.03998262652355 | erot = 3.14553707334849 | epot = -11.813991628982 | etot = -5.62847192910991 -559000 ekin = 3.00450378984156 | erot = 3.11693712835965 | epot = -11.7499128467833 | etot = -5.62847192858208 -560000 ekin = 2.97145203622217 | erot = 3.1075818198538 | epot = -11.7075057840995 | etot = -5.62847192802354 -561000 ekin = 2.94451934101954 | erot = 3.1226726975339 | epot = -11.6956639661186 | etot = -5.62847192756517 -562000 ekin = 2.92714140957828 | erot = 3.16633554921903 | epot = -11.7219488860465 | etot = -5.62847192724921 -563000 ekin = 2.92206147626411 | erot = 3.24077054353436 | epot = -11.791303946999 | etot = -5.62847192720053 -564000 ekin = 2.93031627655366 | erot = 3.3456341095489 | epot = -11.9044223136038 | etot = -5.62847192750128 -565000 ekin = 2.9506871229223 | erot = 3.47751232962104 | epot = -12.0566713806986 | etot = -5.6284719281553 -566000 ekin = 2.97962685521271 | erot = 3.62985521355648 | epot = -12.2379539978956 | etot = -5.6284719291264 -567000 ekin = 3.01171593575608 | erot = 3.79324477337326 | epot = -12.4334326394462 | etot = -5.62847193031686 -568000 ekin = 3.04054477447765 | erot = 3.95610049173114 | epot = -12.6251171977979 | etot = -5.6284719315891 -569000 ekin = 3.05981811079938 | erot = 4.10576505734827 | epot = -12.7940551009318 | etot = -5.62847193278418 -570000 ekin = 3.06446758298878 | erot = 4.22987220710644 | epot = -12.9228117238377 | etot = -5.62847193374246 -571000 ekin = 3.05159191042571 | erot = 4.31782950107407 | epot = -12.9978933458268 | etot = -5.62847193432701 -572000 ekin = 3.02108996841121 | erot = 4.36217384041968 | epot = -13.0117357432802 | etot = -5.62847193444927 -573000 ekin = 2.97589592648261 | erot = 4.35953364446362 | epot = -12.963901505034 | etot = -5.62847193408773 -574000 ekin = 2.92177260949754 | erot = 4.31098813646067 | epot = -12.8612326792579 | etot = -5.6284719332997 -575000 ekin = 2.86675845148244 | erot = 4.22206447601528 | epot = -12.717294857537 | etot = -5.62847193003927 -576000 ekin = 2.82238695047027 | erot = 4.11002108697591 | epot = -12.5608799669646 | etot = -5.62847192951847 -577000 ekin = 2.79586021291389 | erot = 3.98405314230884 | epot = -12.4083852843111 | etot = -5.62847192908835 -578000 ekin = 2.79062678653061 | erot = 3.84816173897011 | epot = -12.2672604543497 | etot = -5.62847192884899 -579000 ekin = 2.8072787676975 | erot = 3.70630768394865 | epot = -12.1420583804789 | etot = -5.62847192883276 -580000 ekin = 2.84308800289758 | erot = 3.56147502219919 | epot = -12.0330349543963 | etot = -5.62847192929951 -581000 ekin = 2.89275945174485 | erot = 3.41677708034905 | epot = -11.9380084614678 | etot = -5.62847192937395 -582000 ekin = 2.94948274103835 | erot = 3.27852635627925 | epot = -11.8564810267612 | etot = -5.62847192944361 -583000 ekin = 3.00600312785704 | erot = 3.1533950786452 | epot = -11.7878701359294 | etot = -5.62847192942714 -584000 ekin = 3.0561587030715 | erot = 3.04800743030949 | epot = -11.7326380626837 | etot = -5.62847192930273 -585000 ekin = 3.09596263912471 | erot = 2.96828908151033 | epot = -11.6927236497277 | etot = -5.62847192909268 -586000 ekin = 3.12407298202873 | erot = 2.91878541588222 | epot = -11.6713303267394 | etot = -5.62847192882846 -587000 ekin = 3.1417461422428 | erot = 2.90225430092797 | epot = -11.6724723717095 | etot = -5.62847192853876 -588000 ekin = 3.15240031625394 | erot = 2.91960613643246 | epot = -11.7004783809487 | etot = -5.62847192826232 -589000 ekin = 3.16081808259797 | erot = 2.97006448175089 | epot = -11.7593544923902 | etot = -5.62847192804131 -590000 ekin = 3.17204827388439 | erot = 3.05134069929102 | epot = -11.8518609010921 | etot = -5.62847192791673 -591000 ekin = 3.19150299842536 | erot = 3.16015018734832 | epot = -11.9801251137674 | etot = -5.6284719279937 -592000 ekin = 3.22264872306185 | erot = 3.29204057519177 | epot = -12.1431612265723 | etot = -5.62847192831868 -593000 ekin = 3.26585695466981 | erot = 3.44092346941487 | epot = -12.3352523529449 | etot = -5.6284719288602 -594000 ekin = 3.31918005198706 | erot = 3.59965335604983 | epot = -12.5473053376027 | etot = -5.62847192956579 -595000 ekin = 3.37897127085281 | erot = 3.76045843945238 | epot = -12.7679016405963 | etot = -5.62847193029108 -596000 ekin = 3.43824068580398 | erot = 3.91359738328686 | epot = -12.980310001717 | etot = -5.62847193262616 -597000 ekin = 3.48744876799044 | erot = 4.04782437863043 | epot = -13.1637450798808 | etot = -5.62847193325989 -598000 ekin = 3.52187002170255 | erot = 4.15698580426831 | epot = -13.307327759585 | etot = -5.62847193361412 -599000 ekin = 3.53831455071624 | erot = 4.23767846711066 | epot = -13.4044649515128 | etot = -5.62847193368587 -600000 ekin = 3.53510970428707 | erot = 4.28920847103936 | epot = -13.4527901088444 | etot = -5.62847193351797 -601000 ekin = 3.51191041815786 | erot = 4.31320178192802 | epot = -13.4535841332659 | etot = -5.62847193318003 -602000 ekin = 3.46937521143574 | erot = 4.31295152736691 | epot = -13.4107986715493 | etot = -5.62847193274661 -603000 ekin = 3.40882221238013 | erot = 4.29270411924618 | epot = -13.3299982639056 | etot = -5.62847193227927 -604000 ekin = 3.33194570978559 | erot = 4.2570524585947 | epot = -13.2174701001989 | etot = -5.62847193181861 -605000 ekin = 3.24062643783893 | erot = 4.21052248032778 | epot = -13.0796208495513 | etot = -5.62847193138458 -606000 ekin = 3.13683319322064 | erot = 4.15735875790268 | epot = -12.9226638821045 | etot = -5.62847193098114 -607000 ekin = 3.02259481106322 | erot = 4.1014670376604 | epot = -12.752533779326 | etot = -5.62847193060236 -608000 ekin = 2.90001652257406 | erot = 4.04645475149492 | epot = -12.5749432043072 | etot = -5.62847193023822 -609000 ekin = 2.7713172880563 | erot = 3.99571460773251 | epot = -12.3955038256672 | etot = -5.62847192987839 -610000 ekin = 2.63886938888094 | erot = 3.95250622983135 | epot = -12.219847548229 | etot = -5.6284719295167 -611000 ekin = 2.50524882248118 | erot = 3.92003293769894 | epot = -12.0537536890432 | etot = -5.6284719288631 -612000 ekin = 2.3738208727921 | erot = 3.90218869845917 | epot = -11.9044814997854 | etot = -5.62847192853414 -613000 ekin = 2.24769613360649 | erot = 3.9018678874184 | epot = -11.77803594925 | etot = -5.6284719282251 -614000 ekin = 2.12975142860158 | erot = 3.92103062107246 | epot = -11.6792539776525 | etot = -5.62847192797845 -615000 ekin = 2.02283676460709 | erot = 3.9608005682159 | epot = -11.6121092606515 | etot = -5.62847192782847 -616000 ekin = 1.92967019040109 | erot = 4.02099162177929 | epot = -11.579133739989 | etot = -5.62847192780864 -617000 ekin = 1.85273791854346 | erot = 4.09974474399252 | epot = -11.5809545904839 | etot = -5.62847192794792 -618000 ekin = 1.79420296287054 | erot = 4.19322703618216 | epot = -11.6159019273126 | etot = -5.62847192825989 -619000 ekin = 1.75583197419359 | erot = 4.29552606643173 | epot = -11.6798299693548 | etot = -5.62847192872946 -620000 ekin = 1.73895870088423 | erot = 4.39891672371453 | epot = -11.7663473539013 | etot = -5.6284719293025 -621000 ekin = 1.74449834705652 | erot = 4.49462250663369 | epot = -11.867592783578 | etot = -5.62847192988775 -622000 ekin = 1.77300875716763 | erot = 4.57403518090684 | epot = -11.9755158684539 | etot = -5.62847193037939 -623000 ekin = 1.82476626655654 | erot = 4.63011744395741 | epot = -12.0833556412062 | etot = -5.62847193069226 -624000 ekin = 1.89980556085527 | erot = 4.65854151395705 | epot = -12.1868190056079 | etot = -5.62847193079563 -625000 ekin = 1.99788930996706 | erot = 4.658170601646 | epot = -12.2845318423309 | etot = -5.62847193071786 -626000 ekin = 2.11841938996678 | erot = 4.63077870088668 | epot = -12.3776700213792 | etot = -5.62847193052572 -627000 ekin = 2.26034340488758 | erot = 4.58024268392336 | epot = -12.4690580190999 | etot = -5.62847193028892 -628000 ekin = 2.42211143970931 | erot = 4.51161612048185 | epot = -12.5621994902529 | etot = -5.62847193006177 -629000 ekin = 2.60047669400347 | erot = 4.43316974503215 | epot = -12.6621183684369 | etot = -5.62847192940126 -630000 ekin = 2.75035748991735 | erot = 4.31003905744608 | epot = -12.6888685130675 | etot = -5.62847196570411 -631000 ekin = 2.81471524132015 | erot = 4.11774535986825 | epot = -12.5609325369493 | etot = -5.62847193576088 -632000 ekin = 2.9586755220506 | erot = 4.07926707201668 | epot = -12.6664145269351 | etot = -5.62847193286781 -633000 ekin = 3.21010693581923 | erot = 4.20581326814194 | epot = -13.0443921660353 | etot = -5.62847196207413 -634000 ekin = 3.41641131487995 | erot = 4.25928215924009 | epot = -13.304165410488 | etot = -5.62847193636795 -635000 ekin = 3.57385274065781 | erot = 4.24018711595442 | epot = -13.4425117937506 | etot = -5.62847193713836 -636000 ekin = 3.71894531185721 | erot = 4.21896102697364 | epot = -13.5663782768054 | etot = -5.62847193797452 -637000 ekin = 3.84555962844625 | erot = 4.19009538986558 | epot = -13.6641269569819 | etot = -5.62847193867003 -638000 ekin = 3.94874232724621 | erot = 4.14881281920061 | epot = -13.7260270854857 | etot = -5.6284719390389 -639000 ekin = 4.02564653206276 | erot = 4.09271382113576 | epot = -13.7468322922034 | etot = -5.62847193900491 -640000 ekin = 4.07582551377061 | erot = 4.02260436112642 | epot = -13.7269018135144 | etot = -5.62847193861737 -641000 ekin = 4.10019063778084 | erot = 3.94203419560204 | epot = -13.6706967718469 | etot = -5.62847193846401 -642000 ekin = 4.0992358601055 | erot = 3.85569636504571 | epot = -13.5834041630362 | etot = -5.62847193788503 -643000 ekin = 4.07616079997735 | erot = 3.76850329627695 | epot = -13.473136033615 | etot = -5.62847193736071 -644000 ekin = 4.03483546325761 | erot = 3.6842853840609 | epot = -13.3475927842648 | etot = -5.62847193694628 -645000 ekin = 3.97939693555572 | erot = 3.60521279241213 | epot = -13.2130816645928 | etot = -5.62847193662499 -646000 ekin = 3.914241574152 | erot = 3.53197746510563 | epot = -13.0746909755998 | etot = -5.62847193634215 -647000 ekin = 3.84412108375504 | erot = 3.46430751170712 | epot = -12.9369005316455 | etot = -5.62847193618331 -648000 ekin = 3.77442093470216 | erot = 3.40030625094633 | epot = -12.8031991215143 | etot = -5.62847193586579 -649000 ekin = 3.71064844421026 | erot = 3.33902116856895 | epot = -12.6781415483232 | etot = -5.62847193554397 -650000 ekin = 3.65777288978035 | erot = 3.28036981757215 | epot = -12.566614642624 | etot = -5.62847193527149 -651000 ekin = 3.61962254765 | erot = 3.22458240430774 | epot = -12.4726768870525 | etot = -5.62847193509476 -652000 ekin = 3.59838866990065 | erot = 3.17201593040562 | epot = -12.3988765353386 | etot = -5.62847193503232 -653000 ekin = 3.59447660065128 | erot = 3.12302902485726 | epot = -12.3459775605759 | etot = -5.62847193506737 -654000 ekin = 3.60674141924375 | erot = 3.07797678369351 | epot = -12.313190138097 | etot = -5.62847193515974 -655000 ekin = 3.6329884131546 | erot = 3.03728497078528 | epot = -12.2987453192105 | etot = -5.62847193527063 -656000 ekin = 3.67052655532243 | erot = 3.00147990300574 | epot = -12.3004783937154 | etot = -5.62847193538727 -657000 ekin = 3.71734630707259 | erot = 2.97084073554712 | epot = -12.3166589780138 | etot = -5.62847193539409 -658000 ekin = 3.75778663170118 | erot = 2.94872940849709 | epot = -12.3349879989872 | etot = -5.62847195878893 -659000 ekin = 3.70128994164513 | erot = 2.99267200652722 | epot = -12.3224338839004 | etot = -5.62847193572804 -660000 ekin = 3.77980484677394 | erot = 3.05081678593039 | epot = -12.4590935967804 | etot = -5.62847196407602 -661000 ekin = 3.87674047130434 | erot = 3.02043722447083 | epot = -12.5256496411378 | etot = -5.62847194536264 -662000 ekin = 3.96189665312228 | erot = 2.9729451066035 | epot = -12.5633137060314 | etot = -5.62847194630559 -663000 ekin = 4.03233992124012 | erot = 2.90724728967908 | epot = -12.5680591572493 | etot = -5.62847194633005 -664000 ekin = 4.08703350789502 | erot = 2.82371074128155 | epot = -12.5392161949875 | etot = -5.62847194581096 -665000 ekin = 4.13016908284495 | erot = 2.72591755767246 | epot = -12.4845585855709 | etot = -5.62847194505346 -666000 ekin = 4.16485763703889 | erot = 2.62158318065064 | epot = -12.4149127617649 | etot = -5.62847194407538 -667000 ekin = 4.19388444244747 | erot = 2.5204804655618 | epot = -12.3428368513263 | etot = -5.62847194331707 -668000 ekin = 4.21970111376775 | erot = 2.43117566536091 | epot = -12.2793487218942 | etot = -5.62847194276556 -669000 ekin = 4.24419480075555 | erot = 2.35970998750672 | epot = -12.2323767306686 | etot = -5.62847194240629 -670000 ekin = 4.26650932853713 | erot = 2.31009212975349 | epot = -12.2050734005681 | etot = -5.62847194227748 -671000 ekin = 4.28028750593881 | erot = 2.28394068948421 | epot = -12.192700137648 | etot = -5.62847194222501 -672000 ekin = 4.28604953828195 | erot = 2.2808770094442 | epot = -12.1953984899153 | etot = -5.62847194218917 -673000 ekin = 4.28538320994761 | erot = 2.29981058114364 | epot = -12.2136657332365 | etot = -5.62847194214521 -674000 ekin = 4.28032637899501 | erot = 2.33931519995972 | epot = -12.2481135210592 | etot = -5.62847194210451 -675000 ekin = 4.27310613156474 | erot = 2.39770546337526 | epot = -12.2992835370552 | etot = -5.62847194211517 -676000 ekin = 4.26563141856059 | erot = 2.47283047860335 | epot = -12.3669338394392 | etot = -5.62847194227529 -677000 ekin = 4.25873601035467 | erot = 2.56159475141872 | epot = -12.448802704407 | etot = -5.62847194263361 -678000 ekin = 4.2515438341777 | erot = 2.65951246668713 | epot = -12.5395282441051 | etot = -5.62847194324031 -679000 ekin = 4.24120573471807 | erot = 2.76057514757248 | epot = -12.6302528263307 | etot = -5.62847194404019 -680000 ekin = 4.22320051186228 | erot = 2.85770689110643 | epot = -12.7093793478391 | etot = -5.62847194487038 -681000 ekin = 4.19242845455841 | erot = 2.94400272552496 | epot = -12.7649031255833 | etot = -5.62847194549996 -682000 ekin = 4.14477706340556 | erot = 3.01435956391996 | epot = -12.7876085730722 | etot = -5.62847194574666 -683000 ekin = 4.07850194581341 | erot = 3.06669689312527 | epot = -12.7736707845003 | etot = -5.6284719455616 -684000 ekin = 3.98766788583267 | erot = 3.09062770660156 | epot = -12.706767542821 | etot = -5.62847195038674 -685000 ekin = 3.8760997603181 | erot = 3.07213118865403 | epot = -12.5767028926492 | etot = -5.62847194367705 -686000 ekin = 3.78865422790986 | erot = 3.05379982538352 | epot = -12.4709259956439 | etot = -5.62847194235048 -687000 ekin = 3.7288563812245 | erot = 3.05128310405213 | epot = -12.408611432508 | etot = -5.62847194723138 -688000 ekin = 3.65488085466451 | erot = 3.04382149773097 | epot = -12.3271742987358 | etot = -5.62847194634028 -689000 ekin = 3.57606770149366 | erot = 3.03834252507491 | epot = -12.2428821722026 | etot = -5.62847194563407 -690000 ekin = 3.51634425567094 | erot = 3.04775260797855 | epot = -12.1925688087709 | etot = -5.62847194512142 -691000 ekin = 3.47971445752948 | erot = 3.07622358479915 | epot = -12.1844099871964 | etot = -5.62847194486774 -692000 ekin = 3.46765181268596 | erot = 3.12642449717242 | epot = -12.2225482547928 | etot = -5.62847194493445 -693000 ekin = 3.47854301565517 | erot = 3.19918358097393 | epot = -12.3061985419641 | etot = -5.62847194533503 -694000 ekin = 3.50760869812599 | erot = 3.2934044104255 | epot = -12.4294850545637 | etot = -5.6284719460122 -695000 ekin = 3.54747029174784 | erot = 3.40637947899957 | epot = -12.5823217175954 | etot = -5.62847194684794 -696000 ekin = 3.58927155174932 | erot = 3.53441505478472 | epot = -12.7521585542382 | etot = -5.6284719477042 -697000 ekin = 3.62399868532267 | erot = 3.67347767287036 | epot = -12.9259483066525 | etot = -5.62847194845942 -698000 ekin = 3.64429609765447 | erot = 3.81929275578106 | epot = -13.0920608025405 | etot = -5.62847194910502 -699000 ekin = 3.64411727660344 | erot = 3.96826912270823 | epot = -13.2408583488323 | etot = -5.62847194952066 -700000 ekin = 3.61972386486613 | erot = 4.11779628896031 | epot = -13.3659921035143 | etot = -5.62847194968783 -701000 ekin = 3.57045543141783 | erot = 4.26605645103649 | epot = -13.4649838321906 | etot = -5.6284719497363 -702000 ekin = 3.49917622959634 | erot = 4.41037029478515 | epot = -13.5380184739931 | etot = -5.62847194961158 -703000 ekin = 3.41079978159128 | erot = 4.54773448459995 | epot = -13.5870062155707 | etot = -5.62847194937949 -704000 ekin = 3.31149657263073 | erot = 4.67560464070122 | epot = -13.6155731624158 | etot = -5.62847194908389 -705000 ekin = 3.208079030569 | erot = 4.79162132869341 | epot = -13.6281723080447 | etot = -5.62847194878226 -706000 ekin = 3.10702043908273 | erot = 4.89365607485804 | epot = -13.6291484624854 | etot = -5.62847194854463 -707000 ekin = 3.01353531424254 | erot = 4.97967086400049 | epot = -13.6216781266835 | etot = -5.62847194844046 -708000 ekin = 2.93091332961603 | erot = 5.04739802040938 | epot = -13.6067832985419 | etot = -5.62847194851649 -709000 ekin = 2.86026033891818 | erot = 5.09399325378486 | epot = -13.5827255414769 | etot = -5.62847194877389 -710000 ekin = 2.80069789554938 | erot = 5.11589857280283 | epot = -13.5450684175111 | etot = -5.6284719491589 -711000 ekin = 2.74994326422268 | erot = 5.10911210216224 | epot = -13.4875273159535 | etot = -5.62847194956863 -712000 ekin = 2.70509857042167 | erot = 5.06990681741588 | epot = -13.4034773377164 | etot = -5.6284719498788 -713000 ekin = 2.66343594258145 | erot = 4.99582282577925 | epot = -13.2877307183444 | etot = -5.6284719499837 -714000 ekin = 2.62297982883473 | erot = 4.88658411822028 | epot = -13.1380358968879 | etot = -5.62847194983286 -715000 ekin = 2.58275404776271 | erot = 4.74456650518315 | epot = -12.9557925023948 | etot = -5.62847194944894 -716000 ekin = 2.54267933996016 | erot = 4.57461726476494 | epot = -12.7457685536363 | etot = -5.62847194891119 -717000 ekin = 2.5033469203234 | erot = 4.38348005467583 | epot = -12.5152989229978 | etot = -5.62847194799853 -718000 ekin = 2.46867182063301 | erot = 4.18280619312982 | epot = -12.2799499615047 | etot = -5.62847194774182 -719000 ekin = 2.44027484673925 | erot = 3.97913844296029 | epot = -12.0478852371905 | etot = -5.628471947491 -720000 ekin = 2.41790751040199 | erot = 3.77617089319515 | epot = -11.8225503508476 | etot = -5.6284719472505 -721000 ekin = 2.40130900330153 | erot = 3.57751641390117 | epot = -11.6072973642256 | etot = -5.62847194702291 -722000 ekin = 2.39001969448122 | erot = 3.3862093336106 | epot = -11.4047009751078 | etot = -5.62847194701602 -723000 ekin = 2.38288808222113 | erot = 3.20447847619705 | epot = -11.2158385051369 | etot = -5.62847194671873 -724000 ekin = 2.38038137261199 | erot = 3.03585463105936 | epot = -11.0447079501193 | etot = -5.62847194644795 -725000 ekin = 2.38334904386777 | erot = 2.88343528888341 | epot = -10.8952562789589 | etot = -5.62847194620774 -726000 ekin = 2.39277988819888 | erot = 2.74974572537002 | epot = -10.770997559572 | etot = -5.62847194600309 -727000 ekin = 2.40968215743344 | erot = 2.63676770312689 | epot = -10.6749218064005 | etot = -5.62847194584012 -728000 ekin = 2.42515138002469 | erot = 2.54412147907801 | epot = -10.5977448184551 | etot = -5.62847195935242 -729000 ekin = 2.40297855344215 | erot = 2.51475999952154 | epot = -10.5462104923917 | etot = -5.62847193942804 -730000 ekin = 2.46310039286495 | erot = 2.54088838271553 | epot = -10.6324607145563 | etot = -5.62847193897584 -731000 ekin = 2.53308642096613 | erot = 2.54954386947211 | epot = -10.711102229505 | etot = -5.62847193906673 -732000 ekin = 2.61398262093143 | erot = 2.5802487460585 | epot = -10.822703306265 | etot = -5.62847193927504 -733000 ekin = 2.70404858445948 | erot = 2.63167940201831 | epot = -10.9641999261219 | etot = -5.62847193964411 -734000 ekin = 2.80051950065896 | erot = 2.7013292984616 | epot = -11.130320739341 | etot = -5.62847194022042 -735000 ekin = 2.89941283715917 | erot = 2.78510796769434 | epot = -11.312992745887 | etot = -5.62847194103353 -736000 ekin = 2.99560133056514 | erot = 2.87741009023047 | epot = -11.5014833618905 | etot = -5.62847194109488 -737000 ekin = 3.08481605479911 | erot = 2.97524489366734 | epot = -11.6885328904478 | etot = -5.62847194198136 -738000 ekin = 3.16217862812249 | erot = 3.07317374875599 | epot = -11.8638243196778 | etot = -5.62847194279929 -739000 ekin = 3.22336037209491 | erot = 3.16493875126528 | epot = -12.0167710667071 | etot = -5.62847194334687 -740000 ekin = 3.26585131613638 | erot = 3.24522139632786 | epot = -12.1395446568944 | etot = -5.62847194443018 -741000 ekin = 3.28375382499279 | erot = 3.29991441187171 | epot = -12.2121401812924 | etot = -5.62847194442793 -742000 ekin = 3.27631313143846 | erot = 3.3240861171076 | epot = -12.2288711924857 | etot = -5.6284719439396 -743000 ekin = 3.24737724800463 | erot = 3.32046927276587 | epot = -12.1963184639691 | etot = -5.62847194319862 -744000 ekin = 3.20210603611902 | erot = 3.29401551194478 | epot = -12.1245934904807 | etot = -5.62847194241693 -745000 ekin = 3.14567705897692 | erot = 3.25033567018705 | epot = -12.0244846708759 | etot = -5.62847194171191 -746000 ekin = 3.08279906283019 | erot = 3.19521988704382 | epot = -11.9064908907384 | etot = -5.62847194086443 -747000 ekin = 3.01768881746883 | erot = 3.13473855330661 | epot = -11.7808993111576 | etot = -5.62847194038213 -748000 ekin = 2.95302867441137 | erot = 3.07321432162006 | epot = -11.6547149359761 | etot = -5.62847193994465 -749000 ekin = 2.89104396144326 | erot = 3.01469856715425 | epot = -11.5342144681276 | etot = -5.62847193953008 -750000 ekin = 2.83379417430614 | erot = 2.96315742665335 | epot = -11.4254235400924 | etot = -5.62847193913296 -751000 ekin = 2.78329891283332 | erot = 2.92241777463976 | epot = -11.3341886262355 | etot = -5.62847193876246 -752000 ekin = 2.74156846320063 | erot = 2.89600799331209 | epot = -11.266048394949 | etot = -5.62847193843623 -753000 ekin = 2.71056677633252 | erot = 2.88693753461072 | epot = -11.2259762491218 | etot = -5.62847193817852 -754000 ekin = 2.69212502656379 | erot = 2.8974312596522 | epot = -11.2180282242366 | etot = -5.62847193802059 -755000 ekin = 2.68776538359871 | erot = 2.92849871106126 | epot = -11.2447360327333 | etot = -5.62847193807333 -756000 ekin = 2.69845743031605 | erot = 2.97938409378998 | epot = -11.3063134623401 | etot = -5.62847193823404 -757000 ekin = 2.72458496411422 | erot = 3.04788425640591 | epot = -11.4009411591564 | etot = -5.62847193863626 -758000 ekin = 2.76540921277961 | erot = 3.12962823298844 | epot = -11.523509385085 | etot = -5.62847193931699 -759000 ekin = 2.8186834205773 | erot = 3.21794575410196 | epot = -11.6651011149394 | etot = -5.62847194026013 -760000 ekin = 2.88053746469875 | erot = 3.30429272414901 | epot = -11.8133021301939 | etot = -5.62847194134618 -761000 ekin = 2.94600007662043 | erot = 3.37947250565271 | epot = -11.9539445245983 | etot = -5.62847194232513 -762000 ekin = 3.01037281069867 | erot = 3.43568700389847 | epot = -12.0745317574868 | etot = -5.6284719428897 -763000 ekin = 3.07103775518422 | erot = 3.46881600092524 | epot = -12.1683256989529 | etot = -5.62847194284345 -764000 ekin = 3.12866395060911 | erot = 3.47975039715677 | epot = -12.2368862900023 | etot = -5.62847194223643 -765000 ekin = 3.18696433111185 | erot = 3.47390232181757 | epot = -12.2893385942623 | etot = -5.62847194133286 -766000 ekin = 3.25112146438474 | erot = 3.45917589095791 | epot = -12.3387692957924 | etot = -5.62847194044976 -767000 ekin = 3.32577328188977 | erot = 3.44357056043203 | epot = -12.3978157821425 | etot = -5.62847193982066 -768000 ekin = 3.4134183336462 | erot = 3.43342634965397 | epot = -12.4753166228542 | etot = -5.62847193955402 -769000 ekin = 3.51361597928388 | erot = 3.43258837720667 | epot = -12.5746762961495 | etot = -5.628471939659 -770000 ekin = 3.62296220584402 | erot = 3.44225950948084 | epot = -12.6936936554077 | etot = -5.62847194008282 -771000 ekin = 3.67754209849416 | erot = 3.42051682715851 | epot = -12.7265308934616 | etot = -5.62847196780898 -772000 ekin = 3.59351734054848 | erot = 3.35849685486605 | epot = -12.5804861289567 | etot = -5.62847193354221 -773000 ekin = 3.58504863443413 | erot = 3.48413941929281 | epot = -12.6976599869986 | etot = -5.62847193327161 -774000 ekin = 3.6955624666272 | erot = 3.75600381554418 | epot = -13.0800382509718 | etot = -5.62847196880046 -775000 ekin = 3.75799646994502 | erot = 3.87395641002164 | epot = -13.2604248525124 | etot = -5.6284719725457 -776000 ekin = 3.76514931014297 | erot = 3.89275295601426 | epot = -13.2863742388756 | etot = -5.62847197271834 -777000 ekin = 3.74852837941783 | erot = 3.88975944389829 | epot = -13.2667597956642 | etot = -5.6284719723481 -778000 ekin = 3.71300754026198 | erot = 3.86527182184886 | epot = -13.2067513337439 | etot = -5.62847197163307 -779000 ekin = 3.66665793080371 | erot = 3.82295167554327 | epot = -13.1180815768782 | etot = -5.62847197053126 -780000 ekin = 3.6197277314815 | erot = 3.76957330498926 | epot = -13.0177730057584 | etot = -5.62847196928763 -781000 ekin = 3.58276242526763 | erot = 3.71368279686272 | epot = -12.9249171903313 | etot = -5.62847196820099 -782000 ekin = 3.56434384287052 | erot = 3.663446216256 | epot = -12.8562620266381 | etot = -5.62847196751157 -783000 ekin = 3.569070833758 | erot = 3.62459601372342 | epot = -12.8221388149365 | etot = -5.62847196745505 -784000 ekin = 3.59655578171477 | erot = 3.59908724263203 | epot = -12.8241149921578 | etot = -5.628471967811 -785000 ekin = 3.64263842874724 | erot = 3.58559579679555 | epot = -12.8567061940348 | etot = -5.628471968492 -786000 ekin = 3.70061363559346 | erot = 3.58032714296196 | epot = -12.9094127478413 | etot = -5.62847196928587 -787000 ekin = 3.76290289520346 | erot = 3.57827846498719 | epot = -12.9696533302383 | etot = -5.62847197004765 -788000 ekin = 3.82230691235523 | erot = 3.57432079346976 | epot = -13.0250996764999 | etot = -5.62847197067496 -789000 ekin = 3.87288355994426 | erot = 3.56402750529852 | epot = -13.0653830363495 | etot = -5.62847197110668 -790000 ekin = 3.91054381107001 | erot = 3.54422213352492 | epot = -13.0832379158633 | etot = -5.62847197126834 -791000 ekin = 3.93344679983575 | erot = 3.51333982582914 | epot = -13.0752585968492 | etot = -5.62847197118435 -792000 ekin = 3.94193166979322 | erot = 3.47142235483933 | epot = -13.041825995538 | etot = -5.6284719709054 -793000 ekin = 3.93805337465015 | erot = 3.41982689853169 | epot = -12.9863522436869 | etot = -5.62847197050506 -794000 ekin = 3.92496167504177 | erot = 3.36081973487931 | epot = -12.914253379975 | etot = -5.62847197005388 -795000 ekin = 3.90631843202764 | erot = 3.29713731843621 | epot = -12.8319277200719 | etot = -5.62847196960807 -796000 ekin = 3.88587920094623 | erot = 3.2315810082019 | epot = -12.7459321783521 | etot = -5.62847196920401 -797000 ekin = 3.86724402826997 | erot = 3.16668037665964 | epot = -12.6623963737923 | etot = -5.62847196886266 -798000 ekin = 3.85371944458176 | erot = 3.10446220744812 | epot = -12.5866536206206 | etot = -5.62847196859071 -799000 ekin = 3.84821326129611 | erot = 3.04637406894326 | epot = -12.5230592986259 | etot = -5.62847196838653 -800000 ekin = 3.85308746119908 | erot = 2.99338091153568 | epot = -12.4749403409776 | etot = -5.62847196824285 -801000 ekin = 3.86994742120005 | erot = 2.94620265084506 | epot = -12.444622040199 | etot = -5.6284719681539 -802000 ekin = 3.89938743556193 | erot = 2.90559564242602 | epot = -12.4334550461071 | etot = -5.62847196811911 -803000 ekin = 3.94077451983175 | erot = 2.8725536318446 | epot = -12.441800119818 | etot = -5.62847196814163 -804000 ekin = 3.99217445543376 | erot = 2.84833794173038 | epot = -12.4689843653885 | etot = -5.62847196822432 -805000 ekin = 4.05048829026687 | erot = 2.83432176470912 | epot = -12.5132820233421 | etot = -5.62847196836608 -806000 ekin = 4.11178329751052 | erot = 2.83170980353165 | epot = -12.5719650696039 | etot = -5.62847196856174 -807000 ekin = 4.17172086390648 | erot = 2.84122318457455 | epot = -12.6414160172863 | etot = -5.62847196880528 -808000 ekin = 4.22595471214784 | erot = 2.86283161284251 | epot = -12.7172582940824 | etot = -5.62847196909201 -809000 ekin = 4.27041103455395 | erot = 2.89559061414517 | epot = -12.7944736181159 | etot = -5.62847196941681 -810000 ekin = 4.3014357915028 | erot = 2.93761851690391 | epot = -12.8675262781752 | etot = -5.62847196976853 -811000 ekin = 4.31585912480079 | erot = 2.9862278240649 | epot = -12.930558918992 | etot = -5.62847197012628 -812000 ekin = 4.31104963118775 | erot = 3.0381997476329 | epot = -12.9777213492781 | etot = -5.62847197045748 -813000 ekin = 4.28501152838114 | erot = 3.0901583710543 | epot = -13.0036418701586 | etot = -5.62847197072312 -814000 ekin = 4.23653530230676 | erot = 3.13897206756234 | epot = -13.0039793407554 | etot = -5.62847197088632 -815000 ekin = 4.16537042737931 | erot = 3.18209773865592 | epot = -12.9759401369568 | etot = -5.62847197092152 -816000 ekin = 4.07236517435923 | erot = 3.21779646432864 | epot = -12.9186336095086 | etot = -5.62847197082074 -817000 ekin = 3.95951977391364 | erot = 3.24518380278537 | epot = -12.8331755472951 | etot = -5.62847197059607 -818000 ekin = 3.82991762635876 | erot = 3.26412066883377 | epot = -12.7225102654719 | etot = -5.62847197027939 -819000 ekin = 3.68753356656504 | erot = 3.274989029105 | epot = -12.590994565573 | etot = -5.62847196990294 -820000 ekin = 3.53699106730962 | erot = 3.27842149090396 | epot = -12.4438845277236 | etot = -5.62847196950999 -821000 ekin = 3.38323613805522 | erot = 3.27505502164331 | epot = -12.2867631288311 | etot = -5.62847196913258 -822000 ekin = 3.23123737393496 | erot = 3.26537695352475 | epot = -12.1250862962494 | etot = -5.62847196878966 -823000 ekin = 3.08574116249628 | erot = 3.24970236664698 | epot = -11.9639154976287 | etot = -5.62847196848548 -824000 ekin = 2.95109919834906 | erot = 3.22828590270062 | epot = -11.8078570692609 | etot = -5.62847196821119 -825000 ekin = 2.83117167296369 | erot = 3.20152981083048 | epot = -11.6611734517467 | etot = -5.62847196795251 -826000 ekin = 2.72929448949813 | erot = 3.17021233016805 | epot = -11.5279787873624 | etot = -5.62847196769619 -827000 ekin = 2.64828540338987 | erot = 3.13564460937196 | epot = -11.4124019802009 | etot = -5.62847196743903 -828000 ekin = 2.5904526875204 | erot = 3.09968027863752 | epot = -11.3186049333498 | etot = -5.6284719671919 -829000 ekin = 2.55756748988894 | erot = 3.06454892028369 | epot = -11.2505883771529 | etot = -5.62847196698028 -830000 ekin = 2.55077388386594 | erot = 3.03254604850139 | epot = -11.2117918992051 | etot = -5.62847196683773 -831000 ekin = 2.57043726045413 | erot = 3.00566097437001 | epot = -11.2045702016212 | etot = -5.62847196679708 -832000 ekin = 2.61596871090219 | erot = 2.98524787914233 | epot = -11.229688556925 | etot = -5.6284719668805 -833000 ekin = 2.68568117813862 | erot = 2.97182255651397 | epot = -11.2859757017456 | etot = -5.62847196709305 -834000 ekin = 2.77673678084328 | erot = 2.96502424281942 | epot = -11.3702329910841 | etot = -5.62847196742142 -835000 ekin = 2.88522064267949 | erot = 2.96372965159491 | epot = -11.4774222621122 | etot = -5.62847196783783 -836000 ekin = 3.0063398455796 | erot = 2.96626860503604 | epot = -11.6010804189229 | etot = -5.62847196830727 -837000 ekin = 3.13471078894618 | erot = 2.970671332171 | epot = -11.7338540899128 | etot = -5.62847196879559 -838000 ekin = 3.26467977004394 | erot = 2.9748901905619 | epot = -11.86804192988 | etot = -5.62847196927416 -839000 ekin = 3.39062362138979 | erot = 2.97696578858225 | epot = -11.9960613796947 | etot = -5.62847196972267 -840000 ekin = 3.50719614194999 | erot = 2.97513773435446 | epot = -12.1108058464317 | etot = -5.6284719701272 -841000 ekin = 3.60951430409246 | erot = 2.96792302618422 | epot = -12.2059093007524 | etot = -5.62847197047575 -842000 ekin = 3.69330308348183 | erot = 2.95419217455893 | epot = -12.2759672287961 | etot = -5.62847197075532 -843000 ekin = 3.75502928038789 | erot = 2.93326272963042 | epot = -12.3167639809676 | etot = -5.6284719709493 -844000 ekin = 3.79205095730746 | erot = 2.90501003271159 | epot = -12.3255329610568 | etot = -5.6284719710377 -845000 ekin = 3.80278826958941 | erot = 2.86997708316237 | epot = -12.3012373237539 | etot = -5.62847197100208 -846000 ekin = 3.78689078342828 | erot = 2.82944607152358 | epot = -12.2448088257836 | etot = -5.6284719708317 -847000 ekin = 3.74534923732902 | erot = 2.78543387912981 | epot = -12.1592550869891 | etot = -5.62847197053025 -848000 ekin = 3.68048960888628 | erot = 2.74058491148344 | epot = -12.0495464904896 | etot = -5.62847197011993 -849000 ekin = 3.59580402255204 | erot = 2.69795473402186 | epot = -11.9222307262171 | etot = -5.62847196964325 -850000 ekin = 3.49561210989736 | erot = 2.66069826229511 | epot = -11.7847823413462 | etot = -5.62847196915371 -851000 ekin = 3.38460421148492 | erot = 2.63169878929639 | epot = -11.6447749694902 | etot = -5.62847196870891 -852000 ekin = 3.26735834604579 | erot = 2.61319105427311 | epot = -11.5090213686769 | etot = -5.62847196835798 -853000 ekin = 3.14792970804226 | erot = 2.60644045917402 | epot = -11.3828421353463 | etot = -5.62847196813006 -854000 ekin = 3.0296172146285 | erot = 2.61155167678953 | epot = -11.2696408594426 | etot = -5.62847196802458 -855000 ekin = 2.91497870617726 | erot = 2.62749311879696 | epot = -11.1709437929948 | etot = -5.62847196802053 -856000 ekin = 2.80592683617268 | erot = 2.65229723507084 | epot = -11.086696039322 | etot = -5.6284719680785 -857000 ekin = 2.70394323081684 | erot = 2.68342637125215 | epot = -11.015841570225 | etot = -5.62847196815598 -858000 ekin = 2.61028084993387 | erot = 2.71820874456432 | epot = -10.9569615627179 | etot = -5.62847196821974 -859000 ekin = 2.52608469656868 | erot = 2.75423459875954 | epot = -10.9087912635804 | etot = -5.6284719682522 -860000 ekin = 2.45241725307689 | erot = 2.78962480136954 | epot = -10.8705140226977 | etot = -5.62847196825129 -861000 ekin = 2.39021948293556 | erot = 2.8231315036545 | epot = -10.8418229548166 | etot = -5.62847196822653 -862000 ekin = 2.34025129519653 | erot = 2.8540794641069 | epot = -10.8228027274973 | etot = -5.62847196819388 -863000 ekin = 2.30304188808604 | erot = 2.8821927766783 | epot = -10.8137066329357 | etot = -5.62847196817133 -864000 ekin = 2.27886006044868 | erot = 2.90737073908666 | epot = -10.8147027677094 | etot = -5.62847196817405 -865000 ekin = 2.26770197216494 | erot = 2.92947677509682 | epot = -10.8256507154733 | etot = -5.62847196821149 -866000 ekin = 2.26929189271583 | erot = 2.94819404278774 | epot = -10.845957903789 | etot = -5.62847196828544 -867000 ekin = 2.28309242201064 | erot = 2.96298089342183 | epot = -10.8745452838223 | etot = -5.62847196838983 -868000 ekin = 2.30832281686981 | erot = 2.97313399123391 | epot = -10.9099287766154 | etot = -5.62847196851167 -869000 ekin = 2.34398135142967 | erot = 2.97793980556504 | epot = -10.9503931256294 | etot = -5.62847196863466 -870000 ekin = 2.38886744731908 | erot = 2.9768680983503 | epot = -10.9942075144143 | etot = -5.62847196874495 -871000 ekin = 2.44159861772528 | erot = 2.96974175433465 | epot = -11.0398123408954 | etot = -5.62847196883551 -872000 ekin = 2.50061961565798 | erot = 2.95681803701343 | epot = -11.0859096215799 | etot = -5.62847196890848 -873000 ekin = 2.56420808097439 | erot = 2.93874614067396 | epot = -11.131426190622 | etot = -5.62847196897363 -874000 ekin = 2.63049126981213 | erot = 2.91641905790467 | epot = -11.175382296758 | etot = -5.62847196904118 -875000 ekin = 2.69749664404329 | erot = 2.8907906901858 | epot = -11.2167593033423 | etot = -5.62847196911322 -876000 ekin = 2.7632574083448 | erot = 2.86275138579259 | epot = -11.254480763316 | etot = -5.62847196917864 -877000 ekin = 2.82597857024908 | erot = 2.83312911642634 | epot = -11.2875796558883 | etot = -5.62847196921292 -878000 ekin = 2.88426505992131 | erot = 2.80282960058492 | epot = -11.3155666296436 | etot = -5.62847196913737 -879000 ekin = 2.93899285456266 | erot = 2.7740255772711 | epot = -11.3414904007463 | etot = -5.62847196891249 -880000 ekin = 2.99074429445928 | erot = 2.7490446637777 | epot = -11.3682609271798 | etot = -5.62847196894281 -881000 ekin = 3.03734868933224 | erot = 2.72816458071191 | epot = -11.3939852388255 | etot = -5.62847196878133 -882000 ekin = 3.07935286284048 | erot = 2.71303253503703 | epot = -11.4208573664922 | etot = -5.62847196861465 -883000 ekin = 3.11756797041403 | erot = 2.70517731839467 | epot = -11.4512172572897 | etot = -5.62847196848101 -884000 ekin = 3.1528025280678 | erot = 2.70569769606158 | epot = -11.4869721925354 | etot = -5.62847196840606 -885000 ekin = 3.18571613165263 | erot = 2.71504911547609 | epot = -11.5292372155319 | etot = -5.62847196840319 -886000 ekin = 3.21676773348757 | erot = 2.73290580068261 | epot = -11.5781455026473 | etot = -5.62847196847712 -887000 ekin = 3.24623562385912 | erot = 2.75806669107831 | epot = -11.632774283569 | etot = -5.62847196863155 -888000 ekin = 3.27425941974037 | erot = 2.78837179675785 | epot = -11.6911031853683 | etot = -5.62847196887008 -889000 ekin = 3.3008647884799 | erot = 2.82064068491639 | epot = -11.7499774425873 | etot = -5.62847196919104 -890000 ekin = 3.32596924830188 | erot = 2.8507143996669 | epot = -11.8051556175416 | etot = -5.62847196957287 -891000 ekin = 3.34941253195838 | erot = 2.87373382366803 | epot = -11.8516183255886 | etot = -5.62847196996221 -892000 ekin = 3.37107523516432 | erot = 2.88476437049021 | epot = -11.8843115759264 | etot = -5.62847197027186 -893000 ekin = 3.39111185056978 | erot = 2.87974242668336 | epot = -11.8993262476569 | etot = -5.62847197040377 -894000 ekin = 3.41023212865337 | erot = 2.85650829435345 | epot = -11.8952123932958 | etot = -5.62847197028898 -895000 ekin = 3.42987730811632 | erot = 2.8155349942695 | epot = -11.873884272311 | etot = -5.62847196992517 -896000 ekin = 3.45214148913016 | erot = 2.7600121308566 | epot = -11.840625589371 | etot = -5.62847196938424 -897000 ekin = 3.47941735546095 | erot = 2.69521466345503 | epot = -11.803103987699 | etot = -5.628471968783 -898000 ekin = 3.51352961973772 | erot = 2.62737086718366 | epot = -11.7693724683296 | etot = -5.62847198140817 -899000 ekin = 3.48893911372815 | erot = 2.56291214058034 | epot = -11.6803232237633 | etot = -5.62847196945482 -900000 ekin = 3.45535689263727 | erot = 2.55015985129894 | epot = -11.6339887062865 | etot = -5.62847196235031 -901000 ekin = 3.50186288090734 | erot = 2.58894159238171 | epot = -11.7192764490665 | etot = -5.62847197577748 -902000 ekin = 3.56610213565302 | erot = 2.58196928643146 | epot = -11.7765433946361 | etot = -5.62847197255161 -903000 ekin = 3.62814875834234 | erot = 2.56232070352388 | epot = -11.8189414347917 | etot = -5.62847197292552 -904000 ekin = 3.6911239479288 | erot = 2.552476384214 | epot = -11.8720723055553 | etot = -5.62847197341246 -905000 ekin = 3.75091280589186 | erot = 2.54985569682935 | epot = -11.9292404766422 | etot = -5.628471973921 -906000 ekin = 3.8032250685699 | erot = 2.55191272418001 | epot = -11.9836097670979 | etot = -5.62847197434795 -907000 ekin = 3.84434229176419 | erot = 2.55683360446427 | epot = -12.029647870835 | etot = -5.62847197460657 -908000 ekin = 3.87190064590388 | erot = 2.56394104674777 | epot = -12.0643136673071 | etot = -5.62847197465545 -909000 ekin = 3.88547927778207 | erot = 2.57365301057682 | epot = -12.0876042628693 | etot = -5.6284719745104 -910000 ekin = 3.88680451384616 | erot = 2.58702435622899 | epot = -12.1023008443096 | etot = -5.62847197423442 -911000 ekin = 3.87951720733514 | erot = 2.60508796196012 | epot = -12.113077143204 | etot = -5.62847197390879 -912000 ekin = 3.86859234124604 | erot = 2.62827701247635 | epot = -12.1253413273305 | etot = -5.62847197360815 -913000 ekin = 3.85955913702666 | erot = 2.65612234800617 | epot = -12.1441534584224 | etot = -5.62847197338953 -914000 ekin = 3.85765974659174 | erot = 2.68725904635078 | epot = -12.1733907656271 | etot = -5.62847197268462 -915000 ekin = 3.86988559266746 | erot = 2.72155495790258 | epot = -12.2199125234306 | etot = -5.62847197286055 -916000 ekin = 3.89721211346838 | erot = 2.75899199543555 | epot = -12.2846760821703 | etot = -5.62847197326639 -917000 ekin = 3.93597306443113 | erot = 2.79756616404038 | epot = -12.3620112021776 | etot = -5.62847197370609 -918000 ekin = 3.98211349688365 | erot = 2.83523643659879 | epot = -12.4458219076339 | etot = -5.62847197415145 -919000 ekin = 4.03109884291744 | erot = 2.8693998294584 | epot = -12.5289706479572 | etot = -5.62847197558134 -920000 ekin = 4.07575006831304 | erot = 2.89203459093893 | epot = -12.5962566351513 | etot = -5.62847197589932 -921000 ekin = 4.11121320159991 | erot = 2.8996370575207 | epot = -12.6393222357595 | etot = -5.6284719766389 -922000 ekin = 4.12946329113093 | erot = 2.8910149125728 | epot = -12.6489501806141 | etot = -5.62847197691034 -923000 ekin = 4.12574551620118 | erot = 2.86656720003828 | epot = -12.6207846931349 | etot = -5.62847197689544 -924000 ekin = 4.0980625569279 | erot = 2.82817436939836 | epot = -12.5547089029588 | etot = -5.62847197663253 -925000 ekin = 4.04683813061977 | erot = 2.77889166025841 | epot = -12.4542017670983 | etot = -5.6284719762201 -926000 ekin = 3.97415980827213 | erot = 2.7224048551034 | epot = -12.3250366391405 | etot = -5.62847197576501 -927000 ekin = 3.88290109597355 | erot = 2.66247239441167 | epot = -12.1738454657142 | etot = -5.628471975329 -928000 ekin = 3.7761917261226 | erot = 2.60258197161579 | epot = -12.0072456726475 | etot = -5.62847197490908 -929000 ekin = 3.65741733985558 | erot = 2.54590496225226 | epot = -11.8317942765687 | etot = -5.62847197446088 -930000 ekin = 3.53056331439201 | erot = 2.49545263409286 | epot = -11.6544879224273 | etot = -5.62847197394242 -931000 ekin = 3.40054525982254 | erot = 2.45429284840673 | epot = -11.4833100812613 | etot = -5.62847197303199 -932000 ekin = 3.27351307385926 | erot = 2.4281214285064 | epot = -11.3301064749993 | etot = -5.62847197263363 -933000 ekin = 3.1547941288807 | erot = 2.42017428768359 | epot = -11.2034403887959 | etot = -5.6284719722316 -934000 ekin = 3.04934557269559 | erot = 2.43124949800217 | epot = -11.1090670425772 | etot = -5.62847197187946 -935000 ekin = 2.96178382764498 | erot = 2.46165171578676 | epot = -11.0519075150532 | etot = -5.62847197162141 -936000 ekin = 2.89581269402263 | erot = 2.51113391191419 | epot = -11.03541857742 | etot = -5.62847197148319 -937000 ekin = 2.85385879505556 | erot = 2.5788978601622 | epot = -11.0612286266873 | etot = -5.62847197146952 -938000 ekin = 2.83694342970363 | erot = 2.66364816115637 | epot = -11.1290635624289 | etot = -5.62847197156892 -939000 ekin = 2.8447669620069 | erot = 2.76369076607099 | epot = -11.2369296998344 | etot = -5.62847197175653 -940000 ekin = 2.87595320433365 | erot = 2.87707537754526 | epot = -11.3815005538769 | etot = -5.62847197199802 -941000 ekin = 2.92838858110334 | erot = 3.00178159602945 | epot = -11.5586421493877 | etot = -5.62847197225486 -942000 ekin = 2.99958691451742 | erot = 3.13593595373153 | epot = -11.7639948407407 | etot = -5.62847197249174 -943000 ekin = 3.08701486062517 | erot = 3.27802583948734 | epot = -11.9935126727952 | etot = -5.62847197268272 -944000 ekin = 3.18658687194688 | erot = 3.42629435655057 | epot = -12.2413532023889 | etot = -5.62847197389142 -945000 ekin = 3.29120912163075 | erot = 3.57701253366733 | epot = -12.4966936297096 | etot = -5.62847197441153 -946000 ekin = 3.39621217450377 | erot = 3.72637389338014 | epot = -12.7510580428887 | etot = -5.62847197500476 -947000 ekin = 3.49687303161659 | erot = 3.86977321150428 | epot = -12.995118218816 | etot = -5.62847197569508 -948000 ekin = 3.58827211310905 | erot = 4.00151346913667 | epot = -13.2182575587303 | etot = -5.62847197648454 -949000 ekin = 3.66536645558403 | erot = 4.11475106184004 | epot = -13.4085894947607 | etot = -5.62847197733668 -950000 ekin = 3.72323942075286 | erot = 4.20180191863669 | epot = -13.5535133175596 | etot = -5.62847197817002 -951000 ekin = 3.75754185745605 | erot = 4.25489778335397 | epot = -13.640911619673 | etot = -5.62847197886299 -952000 ekin = 3.76507381729662 | erot = 4.26734583679003 | epot = -13.660891633365 | etot = -5.62847197927839 -953000 ekin = 3.74438822435714 | erot = 4.23487585516235 | epot = -13.6077360588184 | etot = -5.62847197929889 -954000 ekin = 3.69625243000309 | erot = 4.15681815360206 | epot = -13.4815425624724 | etot = -5.62847197886724 -955000 ekin = 3.62380420284723 | erot = 4.03673171691482 | epot = -13.2890078977725 | etot = -5.62847197801043 -956000 ekin = 3.52555336700899 | erot = 3.8807380512619 | epot = -13.0347633979112 | etot = -5.62847197964028 -957000 ekin = 3.39894638986493 | erot = 3.70474137723537 | epot = -12.7321597416831 | etot = -5.62847197458277 -958000 ekin = 3.27782879423858 | erot = 3.53760737373846 | epot = -12.4439081409366 | etot = -5.62847197295959 -959000 ekin = 3.17835028686343 | erot = 3.38602207781495 | epot = -12.192844339492 | etot = -5.62847197481363 -960000 ekin = 3.09019087928103 | erot = 3.23509493538441 | epot = -11.9537577911203 | etot = -5.62847197645485 -961000 ekin = 3.00426259316327 | erot = 3.08248133569913 | epot = -11.7152159044103 | etot = -5.62847197554792 -962000 ekin = 2.92693479924967 | erot = 2.94805480855373 | epot = -11.5034615831379 | etot = -5.62847197533446 -963000 ekin = 2.85972055591546 | erot = 2.83488454517476 | epot = -11.323077076119 | etot = -5.62847197502879 -964000 ekin = 2.80427359411467 | erot = 2.74583973121403 | epot = -11.1785853001788 | etot = -5.62847197485006 -965000 ekin = 2.76170821973113 | erot = 2.68249826104574 | epot = -11.0726784555729 | etot = -5.62847197479599 -966000 ekin = 2.73254763820473 | erot = 2.64503832973914 | epot = -11.0060579428183 | etot = -5.62847197487444 -967000 ekin = 2.71665522014275 | erot = 2.63218922323769 | epot = -10.9773164184706 | etot = -5.62847197509013 -968000 ekin = 2.71315992358637 | erot = 2.64124364135887 | epot = -10.9828755403748 | etot = -5.6284719754296 -969000 ekin = 2.72046614525188 | erot = 2.66825860579762 | epot = -11.0171967269043 | etot = -5.62847197585485 -970000 ekin = 2.7363957888058 | erot = 2.70848274056211 | epot = -11.0733505056801 | etot = -5.62847197631217 -971000 ekin = 2.75849383087266 | erot = 2.75695664100323 | epot = -11.1439224485372 | etot = -5.62847197666126 -972000 ekin = 2.78540546217067 | erot = 2.80984083649779 | epot = -11.2237182756023 | etot = -5.62847197693383 -973000 ekin = 2.81581408813093 | erot = 2.86412704650895 | epot = -11.3084131117582 | etot = -5.62847197711836 -974000 ekin = 2.84847995007392 | erot = 2.91762904174479 | epot = -11.3945809690272 | etot = -5.62847197720854 -975000 ekin = 2.88260770675907 | erot = 2.96920774094647 | epot = -11.480287424912 | etot = -5.62847197720644 -976000 ekin = 2.90702474308763 | erot = 3.01964918949845 | epot = -11.555145934177 | etot = -5.62847200159089 -977000 ekin = 2.82994037303446 | erot = 3.10467594931735 | epot = -11.5630883002056 | etot = -5.6284719778538 -978000 ekin = 2.82908361995948 | erot = 3.22546638766101 | epot = -11.6830220113422 | etot = -5.62847200372169 -979000 ekin = 2.83706100078567 | erot = 3.25481873071872 | epot = -11.7203517215879 | etot = -5.62847199008348 -980000 ekin = 2.83601345096319 | erot = 3.27042511585167 | epot = -11.7349105569336 | etot = -5.62847199011874 -981000 ekin = 2.82679467472268 | erot = 3.27908746102754 | epot = -11.7343541259104 | etot = -5.62847199016015 -982000 ekin = 2.80889457046917 | erot = 3.28090658381986 | epot = -11.7182731444936 | etot = -5.62847199020456 -983000 ekin = 2.78208898618241 | erot = 3.27578647185869 | epot = -11.6863474482718 | etot = -5.62847199023068 -984000 ekin = 2.74660136864529 | erot = 3.26353952423134 | epot = -11.6386128830805 | etot = -5.62847199020383 -985000 ekin = 2.70333214411892 | erot = 3.24411391026867 | epot = -11.5759180444744 | etot = -5.62847199008681 -986000 ekin = 2.65408912736903 | erot = 3.21786526493321 | epot = -11.500426382155 | etot = -5.62847198985273 -987000 ekin = 2.57871632039566 | erot = 3.1724727902318 | epot = -11.3796611049636 | etot = -5.62847199433612 -988000 ekin = 2.53018926295006 | erot = 3.15315340607823 | epot = -11.3118146709826 | etot = -5.62847200195436 -989000 ekin = 2.49566278163332 | erot = 3.12952117396304 | epot = -11.2536559475413 | etot = -5.6284719919449 -990000 ekin = 2.46227182454259 | erot = 3.09741757789058 | epot = -11.1881613938229 | etot = -5.62847199138973 -991000 ekin = 2.44592299191521 | erot = 3.07158095018047 | epot = -11.1459759332225 | etot = -5.6284719911268 -992000 ekin = 2.4517428150834 | erot = 3.05611048477739 | epot = -11.1363252907874 | etot = -5.62847199092665 -993000 ekin = 2.48099671630818 | erot = 3.05281518173765 | epot = -11.1622838888188 | etot = -5.62847199077294 -994000 ekin = 2.53415670191708 | erot = 3.0635915442888 | epot = -11.2262202368932 | etot = -5.62847199068736 -995000 ekin = 2.61088853279327 | erot = 3.09015398608656 | epot = -11.3295145095591 | etot = -5.62847199067929 -996000 ekin = 2.71011819684934 | erot = 3.13378298765858 | epot = -11.4723731752586 | etot = -5.62847199075068 -997000 ekin = 2.83015603301196 | erot = 3.19515267788909 | epot = -11.6537807018024 | etot = -5.62847199090133 -998000 ekin = 2.96878571674253 | erot = 3.27423191440698 | epot = -11.8714896222901 | etot = -5.62847199114063 -999000 ekin = 3.12322522735956 | erot = 3.37022004814537 | epot = -12.1219172669997 | etot = -5.62847199149473 -1000000 ekin = 3.28990650652431 | erot = 3.48146010808984 | epot = -12.3998386066208 | etot = -5.62847199200668 - 1000000 0.14621807 -0.83009398 0.055104069 -0.56937076 4.8223734e-05 64000 -Loop time of 29.9827 on 1 procs for 1000000 steps with 16 atoms - -Performance: 28816.629 tau/day, 33352.580 timesteps/s -99.7% CPU use with 1 MPI tasks x no OpenMP threads - -MPI task timing breakdown: -Section | min time | avg time | max time |%varavg| %total ---------------------------------------------------------------- -Pair | 26.195 | 26.195 | 26.195 | 0.0 | 87.37 -Bond | 0.93416 | 0.93416 | 0.93416 | 0.0 | 3.12 -Neigh | 0.013798 | 0.013798 | 0.013798 | 0.0 | 0.05 -Comm | 0.18361 | 0.18361 | 0.18361 | 0.0 | 0.61 -Output | 0.14593 | 0.14593 | 0.14593 | 0.0 | 0.49 -Modify | 2.2241 | 2.2241 | 2.2241 | 0.0 | 7.42 -Other | | 0.2862 | | | 0.95 - -Nlocal: 16.0000 ave 16 max 16 min -Histogram: 1 0 0 0 0 0 0 0 0 0 -Nghost: 0.00000 ave 0 max 0 min -Histogram: 1 0 0 0 0 0 0 0 0 0 -Neighs: 106.000 ave 106 max 106 min -Histogram: 1 0 0 0 0 0 0 0 0 0 - -Total # of neighbors = 106 -Ave neighs/atom = 6.6250000 -Ave special neighs/atom = 3.7500000 -Neighbor list builds = 1000 -Dangerous builds = 0 - -write_data last_config.${number}.* nocoeff -write_data last_config.2.* nocoeff -System init for write_data ... -Total wall time: 0:00:29 diff --git a/examples/PACKAGES/cgdna/examples/oxRNA2/duplex2/log.27May21.duplex2.g++.4 b/examples/PACKAGES/cgdna/examples/oxRNA2/duplex2/log.27May21.duplex2.g++.4 deleted file mode 100644 index 94b722f1da..0000000000 --- a/examples/PACKAGES/cgdna/examples/oxRNA2/duplex2/log.27May21.duplex2.g++.4 +++ /dev/null @@ -1,1181 +0,0 @@ -LAMMPS (27 May 2021) -variable number equal 2 -variable ofreq equal 1000 -variable efreq equal 1000 -variable T equal 0.1 -variable rhos equal 0.5 - -units lj - -dimension 3 - -newton off - -boundary p p p - -atom_style hybrid bond ellipsoid oxdna -WARNING: Atom style hybrid defines both, per-type and per-atom masses; both must be set, but only per-atom masses will be used (../atom_vec_hybrid.cpp:157) -atom_modify sort 0 1.0 - -# Pair interactions require lists of neighbours to be calculated -neighbor 2.0 bin -neigh_modify every 1 delay 0 check yes - -read_data data.duplex2 -Reading data file ... - orthogonal box = (-20.000000 -20.000000 -20.000000) to (20.000000 20.000000 20.000000) - 1 by 2 by 2 MPI processor grid - reading atoms ... - 16 atoms - reading velocities ... - 16 velocities - scanning bonds ... - 2 = max bonds/atom - 16 ellipsoids - reading bonds ... - 13 bonds -Finding 1-2 1-3 1-4 neighbors ... - special bond factors lj: 0 0 0 - special bond factors coul: 0 0 0 - 2 = max # of 1-2 neighbors - 2 = max # of 1-3 neighbors - 4 = max # of 1-4 neighbors - 6 = max # of special neighbors - special bonds CPU = 0.001 seconds - read_data CPU = 0.005 seconds - -set atom * mass 3.1575 -Setting atom values ... - 16 settings made for mass - -group all type 1 4 -16 atoms in group all - -# oxRNA2 bond interactions - FENE backbone -bond_style oxrna2/fene -bond_coeff * 2.0 0.25 0.761070781051 -special_bonds lj 0 1 1 -Finding 1-2 1-3 1-4 neighbors ... - special bond factors lj: 0 1 1 - special bond factors coul: 0 0 0 - 2 = max # of 1-2 neighbors - 2 = max # of 1-3 neighbors - 4 = max # of 1-4 neighbors - 6 = max # of special neighbors - special bonds CPU = 0.000 seconds - -# oxRNA2 pair interactions -pair_style hybrid/overlay oxrna2/excv oxrna2/stk oxrna2/hbond oxrna2/xstk oxrna2/coaxstk oxrna2/dh -pair_coeff * * oxrna2/excv 2.0 0.7 0.675 2.0 0.515 0.5 2.0 0.33 0.32 -pair_coeff * * oxrna2/stk seqdep ${T} 1.40206 2.77 6.0 0.43 0.93 0.35 0.78 0.9 0 0.95 0.9 0 0.95 1.3 0 0.8 1.3 0 0.8 2.0 0.65 2.0 0.65 -pair_coeff * * oxrna2/stk seqdep 0.1 1.40206 2.77 6.0 0.43 0.93 0.35 0.78 0.9 0 0.95 0.9 0 0.95 1.3 0 0.8 1.3 0 0.8 2.0 0.65 2.0 0.65 -pair_coeff * * oxrna2/hbond seqdep 0.0 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 -pair_coeff 1 4 oxrna2/hbond seqdep 0.870439 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 -pair_coeff 2 3 oxrna2/hbond seqdep 0.870439 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 -pair_coeff 3 4 oxrna2/hbond seqdep 0.870439 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 -pair_coeff * * oxrna2/xstk 59.9626 0.5 0.6 0.42 0.58 2.25 0.505 0.58 1.7 1.266 0.68 1.7 1.266 0.68 1.7 0.309 0.68 1.7 0.309 0.68 -pair_coeff * * oxrna2/coaxstk 80 0.5 0.6 0.42 0.58 2.0 2.592 0.65 1.3 0.151 0.8 0.9 0.685 0.95 0.9 0.685 0.95 2.0 -0.65 2.0 -0.65 -pair_coeff * * oxrna2/dh ${T} ${rhos} 1.02455 -pair_coeff * * oxrna2/dh 0.1 ${rhos} 1.02455 -pair_coeff * * oxrna2/dh 0.1 0.5 1.02455 - -# NVE ensemble -fix 1 all nve/asphere -#fix 2 all langevin ${T} ${T} 2.5 457145 angmom 10 - -timestep 1e-5 - -#comm_style tiled -fix 3 all balance 1000 1.03 shift xyz 10 1.03 -comm_modify cutoff 3.8 - -compute quat all property/atom quatw quati quatj quatk - -compute erot all erotate/asphere -compute ekin all ke -compute epot all pe -variable erot equal c_erot -variable ekin equal c_ekin -variable epot equal c_epot -variable etot equal c_erot+c_ekin+c_epot -fix 5 all print ${efreq} "$(step) ekin = ${ekin} | erot = ${erot} | epot = ${epot} | etot = ${etot}" screen yes -fix 5 all print 1000 "$(step) ekin = ${ekin} | erot = ${erot} | epot = ${epot} | etot = ${etot}" screen yes - -dump out all custom ${ofreq} out.${number}.lammpstrj id mol type x y z ix iy iz vx vy vz c_quat[1] c_quat[2] c_quat[3] c_quat[4] angmomx angmomy angmomz -dump out all custom 1000 out.${number}.lammpstrj id mol type x y z ix iy iz vx vy vz c_quat[1] c_quat[2] c_quat[3] c_quat[4] angmomx angmomy angmomz -dump out all custom 1000 out.2.lammpstrj id mol type x y z ix iy iz vx vy vz c_quat[1] c_quat[2] c_quat[3] c_quat[4] angmomx angmomy angmomz -dump_modify out sort id -dump_modify out format line "%d %d %d %22.15le %22.15le %22.15le %d %d %d %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le" - -run 1000000 -Neighbor list info ... - update every 1 steps, delay 0 steps, check yes - max neighbors/atom: 2000, page size: 100000 - master list distance cutoff = 4.3014979 - ghost atom cutoff = 4.3014979 - binsize = 2.150749, bins = 19 19 19 - 5 neighbor lists, perpetual/occasional/extra = 5 0 0 - (1) pair oxrna2/excv, perpetual - attributes: half, newton off - pair build: half/bin/newtoff - stencil: full/bin/3d - bin: standard - (2) pair oxrna2/hbond, perpetual, copy from (1) - attributes: half, newton off - pair build: copy - stencil: none - bin: none - (3) pair oxrna2/xstk, perpetual, copy from (1) - attributes: half, newton off - pair build: copy - stencil: none - bin: none - (4) pair oxrna2/coaxstk, perpetual, copy from (1) - attributes: half, newton off - pair build: copy - stencil: none - bin: none - (5) pair oxrna2/dh, perpetual, copy from (1) - attributes: half, newton off - pair build: copy - stencil: none - bin: none -WARNING: Communication cutoff adjusted to 4.301497916929199 (../comm.cpp:739) -0 ekin = 2.70475393009871 | erot = 2.80172072918779 | epot = -11.1349465280232 | etot = -5.62847186873667 -Per MPI rank memory allocation (min/avg/max) = 9.578 | 9.607 | 9.692 Mbytes -Step Temp E_pair E_mol TotEng Press Volume - 0 0.12021129 -0.7299505 0.034016337 -0.52688704 5.1214421e-05 64000 -1000 ekin = 2.74425239815417 | erot = 2.79065458610893 | epot = -11.1633788526891 | etot = -5.62847186842597 -2000 ekin = 2.78841691867035 | erot = 2.77992540099535 | epot = -11.196814187725 | etot = -5.62847186805934 -3000 ekin = 2.83938215410022 | erot = 2.77185117591643 | epot = -11.2397051978034 | etot = -5.62847186778672 -4000 ekin = 2.89876217830263 | erot = 2.76816783884241 | epot = -11.295401884792 | etot = -5.62847186764698 -5000 ekin = 2.96742170720769 | erot = 2.76919345829434 | epot = -11.3650870331989 | etot = -5.6284718676969 -6000 ekin = 3.0456300737104 | erot = 2.77376672268247 | epot = -11.4478686641706 | etot = -5.62847186777774 -7000 ekin = 3.13407886898538 | erot = 2.78065913591456 | epot = -11.5432098726293 | etot = -5.6284718677294 -8000 ekin = 3.23400863287743 | erot = 2.78938863934857 | epot = -11.651869139893 | etot = -5.628471867667 -9000 ekin = 3.34625998930257 | erot = 2.80019523753784 | epot = -11.7749270943234 | etot = -5.62847186748303 -10000 ekin = 3.47220350616334 | erot = 2.81464622815281 | epot = -11.9153216015116 | etot = -5.62847186719543 -11000 ekin = 3.61341090096017 | erot = 2.83541090219849 | epot = -12.0772936703878 | etot = -5.62847186722916 -12000 ekin = 3.76971728921061 | erot = 2.8651661044909 | epot = -12.2633552607299 | etot = -5.62847186702835 -13000 ekin = 3.94105577714466 | erot = 2.90597306806357 | epot = -12.4755007121565 | etot = -5.62847186694831 -14000 ekin = 4.12730744896755 | erot = 2.95952862137382 | epot = -12.7153079373023 | etot = -5.62847186696097 -15000 ekin = 4.32776706381547 | erot = 3.02701108512254 | epot = -12.9832500158854 | etot = -5.62847186694737 -16000 ekin = 4.5413969568068 | erot = 3.10924468066181 | epot = -13.2791135046205 | etot = -5.62847186715189 -17000 ekin = 4.76575661763817 | erot = 3.20604355373095 | epot = -13.60027203892 | etot = -5.62847186755086 -18000 ekin = 4.99700491214677 | erot = 3.31611869568271 | epot = -13.9415954758897 | etot = -5.62847186806025 -19000 ekin = 5.23048108112183 | erot = 3.43700077146766 | epot = -14.2959537213472 | etot = -5.62847186875769 -20000 ekin = 5.46074742513047 | erot = 3.56463156086409 | epot = -14.6538508556014 | etot = -5.6284718696068 -21000 ekin = 5.68087058007123 | erot = 3.6925677668172 | epot = -15.0019102179231 | etot = -5.62847187103462 -22000 ekin = 5.88327619983863 | erot = 3.81252322503562 | epot = -15.3242712967755 | etot = -5.62847187190124 -23000 ekin = 6.06249979951972 | erot = 3.91720950057676 | epot = -15.6081811728146 | etot = -5.62847187271808 -24000 ekin = 6.21449712377417 | erot = 4.00104081543186 | epot = -15.8440098121103 | etot = -5.62847187290429 -25000 ekin = 6.33853277809233 | erot = 4.06184542619887 | epot = -16.0288500769827 | etot = -5.62847187269152 -26000 ekin = 6.43627737186988 | erot = 4.1007627843085 | epot = -16.1655120283937 | etot = -5.62847187221534 -27000 ekin = 6.51092447972002 | erot = 4.12134483746818 | epot = -16.260741188824 | etot = -5.6284718716358 -28000 ekin = 6.56622100976658 | erot = 4.12827111510827 | epot = -16.3229639959506 | etot = -5.62847187107576 -29000 ekin = 6.60587340002369 | erot = 4.12622173833913 | epot = -16.3605670089492 | etot = -5.62847187058634 -30000 ekin = 6.63335580501806 | erot = 4.11921545444668 | epot = -16.3810431296794 | etot = -5.62847187021464 -31000 ekin = 6.6521188858925 | erot = 4.10999678317548 | epot = -16.3905875389833 | etot = -5.62847186991534 -32000 ekin = 6.66584763664854 | erot = 4.10024297795119 | epot = -16.3945624842073 | etot = -5.62847186960755 -33000 ekin = 6.67923227191012 | erot = 4.09129207413386 | epot = -16.3989962152632 | etot = -5.62847186921922 -34000 ekin = 6.69756137216817 | erot = 4.08414768607684 | epot = -16.4101809271348 | etot = -5.62847186888979 -35000 ekin = 6.72589628312068 | erot = 4.07950228497966 | epot = -16.4338704366879 | etot = -5.62847186858753 -36000 ekin = 6.76908557113702 | erot = 4.07778615492126 | epot = -16.4753435944364 | etot = -5.62847186837807 -37000 ekin = 6.83097506213393 | erot = 4.07899014040679 | epot = -16.5384370708785 | etot = -5.62847186833777 -38000 ekin = 6.91354703253162 | erot = 4.08242106390429 | epot = -16.6244399649598 | etot = -5.62847186852385 -39000 ekin = 7.01626065739823 | erot = 4.08652171942795 | epot = -16.7312542457771 | etot = -5.62847186895093 -40000 ekin = 7.13573792258319 | erot = 4.08884404540012 | epot = -16.8530538375758 | etot = -5.62847186959248 -41000 ekin = 7.26614194134504 | erot = 4.08627042537772 | epot = -16.9808842370342 | etot = -5.62847187031142 -42000 ekin = 7.40051154120578 | erot = 4.07546023443106 | epot = -17.1044436466274 | etot = -5.62847187099058 -43000 ekin = 7.53157437143681 | erot = 4.05344655359643 | epot = -17.2134927965845 | etot = -5.62847187155127 -44000 ekin = 7.65268317567638 | erot = 4.01819177227237 | epot = -17.299346819823 | etot = -5.62847187187422 -45000 ekin = 7.75845343306884 | erot = 3.96898510895776 | epot = -17.3559104142062 | etot = -5.62847187217958 -46000 ekin = 7.84504377034639 | erot = 3.90454903064797 | epot = -17.3780646733313 | etot = -5.62847187233698 -47000 ekin = 7.91002390820631 | erot = 3.824785965552 | epot = -17.3632817459103 | etot = -5.62847187215201 -48000 ekin = 7.95195705456511 | erot = 3.73154439390009 | epot = -17.3119733204125 | etot = -5.62847187194732 -49000 ekin = 7.97001825706877 | erot = 3.6275200729505 | epot = -17.2260102016182 | etot = -5.62847187159896 -50000 ekin = 7.96375756700445 | erot = 3.51726958365113 | epot = -17.109499021545 | etot = -5.62847187088944 -51000 ekin = 7.9328076130046 | erot = 3.40827188497842 | epot = -16.969551368803 | etot = -5.62847187081996 -52000 ekin = 7.87656811744218 | erot = 3.30207418532543 | epot = -16.8071141735587 | etot = -5.62847187079108 -53000 ekin = 7.79531012541938 | erot = 3.19839984815422 | epot = -16.6221818441149 | etot = -5.62847187054131 -54000 ekin = 7.6895260957037 | erot = 3.09980185481832 | epot = -16.4177998208249 | etot = -5.62847187030289 -55000 ekin = 7.55966222141136 | erot = 3.00897426989547 | epot = -16.1971083614504 | etot = -5.62847187014361 -56000 ekin = 7.40594124508043 | erot = 2.92802865182272 | epot = -15.9624417669779 | etot = -5.62847187007474 -57000 ekin = 7.22816598142035 | erot = 2.85836584281806 | epot = -15.7150036943487 | etot = -5.62847187011032 -58000 ekin = 7.0257305139765 | erot = 2.80066522322048 | epot = -15.4548676074202 | etot = -5.62847187022325 -59000 ekin = 6.80455077165163 | erot = 2.75651944712042 | epot = -15.1895420860973 | etot = -5.62847186732528 -60000 ekin = 6.57760251691554 | erot = 2.72731501678744 | epot = -14.9333893991701 | etot = -5.62847186546714 -61000 ekin = 5.99884053190202 | erot = 2.6501026979173 | epot = -14.2774150331173 | etot = -5.628471803298 -62000 ekin = 5.82217958652088 | erot = 2.65058478195153 | epot = -14.1012361774594 | etot = -5.62847180898695 -63000 ekin = 6.00993174210254 | erot = 2.7114348346641 | epot = -14.3498384845188 | etot = -5.62847190775213 -64000 ekin = 5.8509698505037 | erot = 2.71173917624717 | epot = -14.1911809366077 | etot = -5.62847190985684 -65000 ekin = 5.67959801442735 | erot = 2.70731630130145 | epot = -14.0153862253965 | etot = -5.62847190966768 -66000 ekin = 5.49812382731704 | erot = 2.69646895132486 | epot = -13.8230646880631 | etot = -5.62847190942121 -67000 ekin = 5.31011188753145 | erot = 2.67901331172376 | epot = -13.6175971082583 | etot = -5.62847190900305 -68000 ekin = 5.11964229582587 | erot = 2.65622197273386 | epot = -13.4043361770526 | etot = -5.62847190849287 -69000 ekin = 4.93067975207852 | erot = 2.63014135225674 | epot = -13.1892930124928 | etot = -5.62847190815752 -70000 ekin = 4.74697386617485 | erot = 2.60347312706283 | epot = -12.9789189008748 | etot = -5.62847190763715 -71000 ekin = 4.57222133259569 | erot = 2.57971589798906 | epot = -12.7804091377443 | etot = -5.62847190715951 -72000 ekin = 4.40959648507785 | erot = 2.56228295922467 | epot = -12.6003513510615 | etot = -5.62847190675897 -73000 ekin = 4.26170009573909 | erot = 2.55406076080087 | epot = -12.4442327629948 | etot = -5.62847190645487 -74000 ekin = 4.13052949790825 | erot = 2.55713155841143 | epot = -12.3161329625866 | etot = -5.62847190626696 -75000 ekin = 4.01588192828881 | erot = 2.56608801434057 | epot = -12.2104419139901 | etot = -5.62847197136067 -76000 ekin = 3.95904625854741 | erot = 2.44184942386022 | epot = -12.0293675901711 | etot = -5.62847190776351 -77000 ekin = 4.02755960266361 | erot = 2.46007159499036 | epot = -12.116103109804 | etot = -5.62847191215006 -78000 ekin = 3.98785439943812 | erot = 2.49596945534594 | epot = -12.1122957670967 | etot = -5.62847191231265 -79000 ekin = 3.96575767721423 | erot = 2.54200842335447 | epot = -12.1362380131155 | etot = -5.62847191254684 -80000 ekin = 3.95961954869548 | erot = 2.59604589435592 | epot = -12.1841373558852 | etot = -5.62847191283377 -81000 ekin = 3.96734100032333 | erot = 2.65577062232351 | epot = -12.2515835357819 | etot = -5.6284719131351 -82000 ekin = 3.98651997822109 | erot = 2.71892569307084 | epot = -12.3339175847232 | etot = -5.62847191343124 -83000 ekin = 4.01459300302727 | erot = 2.78352190390199 | epot = -12.4265868206361 | etot = -5.62847191370683 -84000 ekin = 4.04956210608531 | erot = 2.8479662966442 | epot = -12.5260003165345 | etot = -5.62847191380503 -85000 ekin = 4.09049341026842 | erot = 2.91104365381102 | epot = -12.6300089781181 | etot = -5.62847191403861 -86000 ekin = 4.13484812560019 | erot = 2.9720116541909 | epot = -12.7353316940204 | etot = -5.62847191422934 -87000 ekin = 4.1800382918462 | erot = 3.03078479878285 | epot = -12.8392950049954 | etot = -5.62847191436634 -88000 ekin = 4.22360704724701 | erot = 3.0879657400032 | epot = -12.9400447017002 | etot = -5.62847191445002 -89000 ekin = 4.26326024607288 | erot = 3.14481288279481 | epot = -13.036545043336 | etot = -5.62847191446827 -90000 ekin = 4.29588111790582 | erot = 3.20341713777007 | epot = -13.12777017033 | etot = -5.62847191465414 -91000 ekin = 4.3169778457778 | erot = 3.26736040230148 | epot = -13.2128101626457 | etot = -5.62847191456645 -92000 ekin = 4.32507837347549 | erot = 3.3393160194455 | epot = -13.2928663075901 | etot = -5.62847191466915 -93000 ekin = 4.31872212432171 | erot = 3.42036541916765 | epot = -13.3675594581779 | etot = -5.62847191468857 -94000 ekin = 4.29660005793273 | erot = 3.51205694754388 | epot = -13.4371289201541 | etot = -5.62847191467748 -95000 ekin = 4.25789021838828 | erot = 3.61606475666823 | epot = -13.5024268896672 | etot = -5.62847191461066 -96000 ekin = 4.20253661926493 | erot = 3.73412422729639 | epot = -13.5651327610314 | etot = -5.6284719144701 -97000 ekin = 4.13146529060017 | erot = 3.8680303743927 | epot = -13.627967579342 | etot = -5.62847191434911 -98000 ekin = 4.04669071975362 | erot = 4.01885670334698 | epot = -13.6940193371954 | etot = -5.62847191409479 -99000 ekin = 3.95128630061912 | erot = 4.18772840013427 | epot = -13.7674866145627 | etot = -5.62847191380928 -100000 ekin = 3.84921784883081 | erot = 4.37558821791238 | epot = -13.8532779802875 | etot = -5.62847191354432 -101000 ekin = 3.74501223923312 | erot = 4.58258429231741 | epot = -13.9560684449146 | etot = -5.62847191336403 -102000 ekin = 3.64330024870582 | erot = 4.80764134110067 | epot = -14.0794135031374 | etot = -5.62847191333087 -103000 ekin = 3.54831662006285 | erot = 5.04811575607496 | epot = -14.2249042896175 | etot = -5.62847191347966 -104000 ekin = 3.4634977206494 | erot = 5.29960820358444 | epot = -14.3915778382037 | etot = -5.62847191396988 -105000 ekin = 3.39136254536271 | erot = 5.55507704359984 | epot = -14.5749115034251 | etot = -5.62847191446257 -106000 ekin = 3.33356403744409 | erot = 5.80718759324928 | epot = -14.7692235454839 | etot = -5.62847191479058 -107000 ekin = 3.29209861353699 | erot = 6.0490668738674 | epot = -14.9696374027453 | etot = -5.62847191534095 -108000 ekin = 3.26748487341106 | erot = 6.2741824365969 | epot = -15.1701392258627 | etot = -5.62847191585477 -109000 ekin = 3.25930506886601 | erot = 6.47585417244292 | epot = -15.3636311580687 | etot = -5.62847191675981 -110000 ekin = 3.26568272829098 | erot = 6.64602097207883 | epot = -15.5401756176979 | etot = -5.62847191732811 -111000 ekin = 3.28520059172619 | erot = 6.77857539600267 | epot = -15.692247905526 | etot = -5.62847191779711 -112000 ekin = 3.31659315707433 | erot = 6.86862760563874 | epot = -15.8136926809238 | etot = -5.6284719182107 -113000 ekin = 3.3586014423093 | erot = 6.91335224014723 | epot = -15.900425600656 | etot = -5.6284719181995 -114000 ekin = 3.41073468124676 | erot = 6.91406610981085 | epot = -15.9532727088324 | etot = -5.62847191777475 -115000 ekin = 3.47381531534278 | erot = 6.87643065686273 | epot = -15.9787178894058 | etot = -5.62847191720034 -116000 ekin = 3.54886437558773 | erot = 6.8071113952899 | epot = -15.9844476879565 | etot = -5.62847191707888 -117000 ekin = 3.6346740920495 | erot = 6.71320827683473 | epot = -15.9763542854618 | etot = -5.62847191657758 -118000 ekin = 3.72815555523563 | erot = 6.60276001485475 | epot = -15.9593874864256 | etot = -5.62847191633521 -119000 ekin = 3.82420980363925 | erot = 6.48288858478196 | epot = -15.9355703049686 | etot = -5.62847191654741 -120000 ekin = 3.91797748357223 | erot = 6.35662792089788 | epot = -15.9030773212275 | etot = -5.62847191675741 -121000 ekin = 4.00591742044039 | erot = 6.22468993027016 | epot = -15.8590792676428 | etot = -5.62847191693228 -122000 ekin = 4.08550270322373 | erot = 6.08676575288842 | epot = -15.8007403736371 | etot = -5.62847191752491 -123000 ekin = 4.15433540908383 | erot = 5.9407157229031 | epot = -15.7235230494648 | etot = -5.6284719174779 -124000 ekin = 4.21272085203612 | erot = 5.78590733869413 | epot = -15.6271001078557 | etot = -5.62847191712543 -125000 ekin = 4.26325970413196 | erot = 5.6246737368656 | epot = -15.5164053575241 | etot = -5.6284719165265 -126000 ekin = 4.3088059798051 | erot = 5.46113290467105 | epot = -15.3984108007459 | etot = -5.62847191626975 -127000 ekin = 4.35136313111014 | erot = 5.29960307371348 | epot = -15.279438120582 | etot = -5.62847191575839 -128000 ekin = 4.39391383900474 | erot = 5.14386269106651 | epot = -15.1662484454477 | etot = -5.62847191537649 -129000 ekin = 4.43858036063608 | erot = 4.99693296064701 | epot = -15.0639852363966 | etot = -5.62847191511354 -130000 ekin = 4.48619887382468 | erot = 4.86092637377882 | epot = -14.9755971627245 | etot = -5.62847191512104 -131000 ekin = 4.53629967746032 | erot = 4.73552279955439 | epot = -14.90029439217 | etot = -5.62847191515529 -132000 ekin = 4.58794392436667 | erot = 4.62012473201844 | epot = -14.8365405715605 | etot = -5.62847191517544 -133000 ekin = 4.63977927970769 | erot = 4.51475331813915 | epot = -14.7830045130158 | etot = -5.628471915169 -134000 ekin = 4.69096227444539 | erot = 4.41936571520071 | epot = -14.7387999047816 | etot = -5.62847191513551 -135000 ekin = 4.74083332631961 | erot = 4.33399770983601 | epot = -14.7033029512372 | etot = -5.62847191508159 -136000 ekin = 4.78901374177297 | erot = 4.25873574864783 | epot = -14.6762214054327 | etot = -5.62847191501192 -137000 ekin = 4.83519033966169 | erot = 4.1934558470929 | epot = -14.6571181018635 | etot = -5.62847191510893 -138000 ekin = 4.87857190019151 | erot = 4.13759960010494 | epot = -14.6446434153646 | etot = -5.62847191506818 -139000 ekin = 4.91933904268535 | erot = 4.0904184140817 | epot = -14.6382293717806 | etot = -5.62847191501353 -140000 ekin = 4.95802132610616 | erot = 4.05108530565804 | epot = -14.6375785467331 | etot = -5.62847191496892 -141000 ekin = 4.99519923255259 | erot = 4.01864210163677 | epot = -14.6423132491268 | etot = -5.62847191493745 -142000 ekin = 5.03134031865305 | erot = 3.99210960072515 | epot = -14.6519218343068 | etot = -5.62847191492855 -143000 ekin = 5.06663282814537 | erot = 3.97056100872312 | epot = -14.6656657518152 | etot = -5.6284719149467 -144000 ekin = 5.10088003253911 | erot = 3.95318385936722 | epot = -14.6825358068971 | etot = -5.62847191499075 -145000 ekin = 5.13347728619368 | erot = 3.93933318432728 | epot = -14.701282385576 | etot = -5.62847191505505 -146000 ekin = 5.16346418936999 | erot = 3.92856945833647 | epot = -14.7205055628375 | etot = -5.62847191513103 -147000 ekin = 5.18962884502086 | erot = 3.92067778970179 | epot = -14.7387785499324 | etot = -5.62847191520974 -148000 ekin = 5.21063630105021 | erot = 3.91566839447851 | epot = -14.7547766108115 | etot = -5.62847191528273 -149000 ekin = 5.22515818277301 | erot = 3.91376203384998 | epot = -14.7673921319662 | etot = -5.62847191534317 -150000 ekin = 5.23199081771441 | erot = 3.91536756918901 | epot = -14.7758303022882 | etot = -5.6284719153848 -151000 ekin = 5.23025857434906 | erot = 3.92102977399581 | epot = -14.7797602637304 | etot = -5.62847191538551 -152000 ekin = 5.21970456277655 | erot = 3.93136599417317 | epot = -14.7795424723198 | etot = -5.62847191537006 -153000 ekin = 5.20020715643981 | erot = 3.94729684642996 | epot = -14.7759759181581 | etot = -5.62847191528838 -154000 ekin = 5.17219962280951 | erot = 3.96989664945392 | epot = -14.7705681875107 | etot = -5.62847191524726 -155000 ekin = 5.13597939415266 | erot = 4.00025654377844 | epot = -14.7647078530835 | etot = -5.62847191515243 -156000 ekin = 5.0922745653888 | erot = 4.03969792967814 | epot = -14.7604444100935 | etot = -5.62847191502654 -157000 ekin = 5.04214374655907 | erot = 4.08965648366315 | epot = -14.7602721451224 | etot = -5.62847191490022 -158000 ekin = 4.9866407689382 | erot = 4.15175637520563 | epot = -14.7668690589144 | etot = -5.62847191477059 -159000 ekin = 4.92656708226485 | erot = 4.22693785976636 | epot = -14.7819768568022 | etot = -5.62847191477095 -160000 ekin = 4.86235166665109 | erot = 4.31524574981695 | epot = -14.8060693313538 | etot = -5.62847191488572 -161000 ekin = 4.79340744408544 | erot = 4.4163419215564 | epot = -14.8382212806386 | etot = -5.62847191499671 -162000 ekin = 4.71931679137324 | erot = 4.52911647420256 | epot = -14.8769051807437 | etot = -5.62847191516795 -163000 ekin = 4.63965178838042 | erot = 4.65170333188688 | epot = -14.9198270356127 | etot = -5.62847191534538 -164000 ekin = 4.55406399624433 | erot = 4.78166301740306 | epot = -14.9641989292976 | etot = -5.62847191565024 -165000 ekin = 4.46213996067538 | erot = 4.91530272158872 | epot = -15.0059145982058 | etot = -5.62847191594168 -166000 ekin = 4.36388109534925 | erot = 5.04805357548563 | epot = -15.0404065870414 | etot = -5.62847191620655 -167000 ekin = 4.25995046842461 | erot = 5.17511068522234 | epot = -15.0635330700698 | etot = -5.62847191642284 -168000 ekin = 4.15154354282116 | erot = 5.29182746831874 | epot = -15.0718429277121 | etot = -5.62847191657216 -169000 ekin = 4.04026084727443 | erot = 5.39411747728052 | epot = -15.0628502412095 | etot = -5.62847191665458 -170000 ekin = 3.92797723838258 | erot = 5.47890367159862 | epot = -15.0353528265931 | etot = -5.62847191661195 -171000 ekin = 3.81680551395717 | erot = 5.54460219961085 | epot = -14.9898796300178 | etot = -5.62847191644981 -172000 ekin = 3.70912194360747 | erot = 5.59119877272625 | epot = -14.9287926324934 | etot = -5.62847191615965 -173000 ekin = 3.60767008609829 | erot = 5.62020496675939 | epot = -14.8563469686142 | etot = -5.62847191575651 -174000 ekin = 3.51593123142523 | erot = 5.63484613588012 | epot = -14.7792492818537 | etot = -5.62847191454837 -175000 ekin = 3.43946966413698 | erot = 5.64148825119033 | epot = -14.7094298295793 | etot = -5.62847191425196 -176000 ekin = 3.38149964339841 | erot = 5.64304584979551 | epot = -14.6530174072201 | etot = -5.62847191402616 -177000 ekin = 3.34426304280155 | erot = 5.6407558950051 | epot = -14.6134908517374 | etot = -5.62847191393072 -178000 ekin = 3.32907821317965 | erot = 5.63429171925317 | epot = -14.5918418466191 | etot = -5.62847191418632 -179000 ekin = 3.335532868292 | erot = 5.62088708741513 | epot = -14.5848918700463 | etot = -5.62847191433917 -180000 ekin = 3.36333384277115 | erot = 5.59827011329225 | epot = -14.5900758706821 | etot = -5.62847191461865 -181000 ekin = 3.4111832274458 | erot = 5.56369949232898 | epot = -14.6033546347477 | etot = -5.6284719149729 -182000 ekin = 3.47666657813831 | erot = 5.51442909119458 | epot = -14.6195675846751 | etot = -5.62847191534219 -183000 ekin = 3.55646627297047 | erot = 5.44847615754844 | epot = -14.6334143461259 | etot = -5.62847191560695 -184000 ekin = 3.64671110623843 | erot = 5.36528131962605 | epot = -14.6404643416911 | etot = -5.62847191582664 -185000 ekin = 3.74294243854203 | erot = 5.26596644090231 | epot = -14.6373807953587 | etot = -5.62847191591432 -186000 ekin = 3.84064021177386 | erot = 5.15359326679041 | epot = -14.6227053944214 | etot = -5.62847191585716 -187000 ekin = 3.93563840594985 | erot = 5.03296537332542 | epot = -14.5970756949497 | etot = -5.62847191567439 -188000 ekin = 4.02444308409274 | erot = 4.91004205202712 | epot = -14.5629570515419 | etot = -5.62847191542199 -189000 ekin = 4.10437481570285 | erot = 4.79101157926071 | epot = -14.5238583101468 | etot = -5.62847191518322 -190000 ekin = 4.17348832619967 | erot = 4.68117061833162 | epot = -14.4831308595854 | etot = -5.62847191505416 -191000 ekin = 4.23028845394417 | erot = 4.58386192798927 | epot = -14.4426222970246 | etot = -5.62847191509118 -192000 ekin = 4.2735805406063 | erot = 4.49984530057659 | epot = -14.4018977564815 | etot = -5.62847191529862 -193000 ekin = 4.2459291199379 | erot = 4.46741799187819 | epot = -14.3418190226935 | etot = -5.62847191087741 -194000 ekin = 4.19994174150901 | erot = 4.47173701960833 | epot = -14.3001506793695 | etot = -5.62847191825219 -195000 ekin = 4.19981139522181 | erot = 4.40365513590497 | epot = -14.2319384423513 | etot = -5.6284719112245 -196000 ekin = 4.18831859749951 | erot = 4.328213784087 | epot = -14.1450042928974 | etot = -5.62847191131092 -197000 ekin = 4.16445522600501 | erot = 4.2468691966353 | epot = -14.0397963337849 | etot = -5.62847191114461 -198000 ekin = 4.1307492037297 | erot = 4.15919636754727 | epot = -13.918417482026 | etot = -5.62847191074906 -199000 ekin = 4.09062074736211 | erot = 4.06700829109988 | epot = -13.7861009486933 | etot = -5.62847191023133 -200000 ekin = 4.04792338687249 | erot = 3.97356549445504 | epot = -13.6499607909724 | etot = -5.62847190964484 -201000 ekin = 4.00668244919831 | erot = 3.88277215509139 | epot = -13.5179265133929 | etot = -5.62847190910321 -202000 ekin = 3.9706339247179 | erot = 3.79828207702256 | epot = -13.397387910413 | etot = -5.62847190867254 -203000 ekin = 3.94283665189453 | erot = 3.72290259923935 | epot = -13.2942111595207 | etot = -5.62847190838679 -204000 ekin = 3.92540743372236 | erot = 3.65835216262537 | epot = -13.2122315045988 | etot = -5.62847190825109 -205000 ekin = 3.91946432177392 | erot = 3.60562062221077 | epot = -13.1535568521744 | etot = -5.62847190818971 -206000 ekin = 3.92515912499527 | erot = 3.56510062726736 | epot = -13.1187316605182 | etot = -5.6284719082556 -207000 ekin = 3.94166066189686 | erot = 3.53643554885231 | epot = -13.1065681191313 | etot = -5.62847190838215 -208000 ekin = 3.96741904659752 | erot = 3.51909285319121 | epot = -13.1149838083252 | etot = -5.62847190853646 -209000 ekin = 3.99456273872773 | erot = 3.5008331585052 | epot = -13.1238678065935 | etot = -5.62847190936053 -210000 ekin = 4.04796401860463 | erot = 3.49168954891055 | epot = -13.1681254815419 | etot = -5.62847191402673 -211000 ekin = 4.09773342716127 | erot = 3.49304812013042 | epot = -13.2192534546379 | etot = -5.62847190734618 -212000 ekin = 4.14205596974498 | erot = 3.50221111647982 | epot = -13.2727389936918 | etot = -5.62847190746705 -213000 ekin = 4.18461227969386 | erot = 3.51992604962542 | epot = -13.3330102373263 | etot = -5.628471908007 -214000 ekin = 4.2229180122116 | erot = 3.54318058638071 | epot = -13.3945705067423 | etot = -5.62847190814997 -215000 ekin = 4.25639069944202 | erot = 3.57018634833031 | epot = -13.4550489560092 | etot = -5.62847190823688 -216000 ekin = 4.28517056130931 | erot = 3.59920416165437 | epot = -13.5128466312826 | etot = -5.62847190831891 -217000 ekin = 4.30951457891511 | erot = 3.62862634730577 | epot = -13.5666128346102 | etot = -5.62847190838931 -218000 ekin = 4.3302274909774 | erot = 3.65639118247571 | epot = -13.6150905819329 | etot = -5.62847190847977 -219000 ekin = 4.34822739188957 | erot = 3.68015661121664 | epot = -13.6568559116901 | etot = -5.62847190858389 -220000 ekin = 4.36437280258544 | erot = 3.69755509928573 | epot = -13.6903998105173 | etot = -5.62847190864617 -221000 ekin = 4.37954317243622 | erot = 3.70660976824299 | epot = -13.714624849372 | etot = -5.62847190869276 -222000 ekin = 4.39451292717286 | erot = 3.70596363375308 | epot = -13.7289484695955 | etot = -5.62847190866958 -223000 ekin = 4.41008213189184 | erot = 3.69513355487323 | epot = -13.7336875953399 | etot = -5.62847190857482 -224000 ekin = 4.42678943726429 | erot = 3.67466536393368 | epot = -13.7299267097388 | etot = -5.62847190854085 -225000 ekin = 4.4446070170116 | erot = 3.64600909387798 | epot = -13.7190880192597 | etot = -5.62847190837011 -226000 ekin = 4.47380092382402 | erot = 3.58830814097906 | epot = -13.6905809780341 | etot = -5.62847191323106 -227000 ekin = 4.56056009803676 | erot = 3.4726930683181 | epot = -13.6617250773541 | etot = -5.62847191099925 -228000 ekin = 4.6108332753125 | erot = 3.40803816010796 | epot = -13.6473433475456 | etot = -5.62847191212517 -229000 ekin = 4.63150013168171 | erot = 3.35898149000328 | epot = -13.6189535337034 | etot = -5.62847191201845 -230000 ekin = 4.65431068144226 | erot = 3.31343017818105 | epot = -13.596212771626 | etot = -5.62847191200268 -231000 ekin = 4.67934821405043 | erot = 3.27332737526856 | epot = -13.5811475014864 | etot = -5.62847191216743 -232000 ekin = 4.70592354946518 | erot = 3.23944506667318 | epot = -13.5738405284619 | etot = -5.6284719123235 -233000 ekin = 4.73271416122752 | erot = 3.21144788525661 | epot = -13.5726339590448 | etot = -5.62847191256071 -234000 ekin = 4.75943444985266 | erot = 3.19078729233522 | epot = -13.5786936545813 | etot = -5.62847191239342 -235000 ekin = 4.78642241818323 | erot = 3.1802119397679 | epot = -13.5951062703988 | etot = -5.62847191244764 -236000 ekin = 4.81315037988461 | erot = 3.18017325334985 | epot = -13.6217955457024 | etot = -5.62847191246799 -237000 ekin = 4.83923297185794 | erot = 3.19145400453578 | epot = -13.6591588888862 | etot = -5.62847191249251 -238000 ekin = 4.86487585932032 | erot = 3.21481908800548 | epot = -13.708166859741 | etot = -5.62847191241519 -239000 ekin = 4.89063931715144 | erot = 3.25114955282307 | epot = -13.7702607826898 | etot = -5.62847191271528 -240000 ekin = 4.91656145052717 | erot = 3.29901781219184 | epot = -13.8440511754972 | etot = -5.62847191277818 -241000 ekin = 4.94245255089475 | erot = 3.35699698381876 | epot = -13.9279214477177 | etot = -5.62847191300422 -242000 ekin = 4.96767380346211 | erot = 3.42365009426279 | epot = -14.0197958109264 | etot = -5.62847191320152 -243000 ekin = 5.0057344622477 | erot = 3.47030260470028 | epot = -14.1045089792089 | etot = -5.62847191226096 -244000 ekin = 5.06987350320887 | erot = 3.50985787352608 | epot = -14.2082032933033 | etot = -5.6284719165684 -245000 ekin = 5.08405115957487 | erot = 3.57323736718718 | epot = -14.2857604930717 | etot = -5.62847196630966 -246000 ekin = 5.13867281568981 | erot = 3.5302241078692 | epot = -14.2973688418991 | etot = -5.62847191834013 -247000 ekin = 5.24446071734626 | erot = 3.6370719263987 | epot = -14.5100045566477 | etot = -5.62847191290278 -248000 ekin = 5.23528120841493 | erot = 3.74023330974172 | epot = -14.6039864311655 | etot = -5.62847191300886 -249000 ekin = 5.21260078434886 | erot = 3.83729795660351 | epot = -14.6783706538247 | etot = -5.62847191287231 -250000 ekin = 5.17839081250001 | erot = 3.92749000333999 | epot = -14.734352728447 | etot = -5.62847191260704 -251000 ekin = 5.13586036333638 | erot = 4.01108345357868 | epot = -14.7754157290661 | etot = -5.628471912151 -252000 ekin = 5.0891829210612 | erot = 4.09018694184797 | epot = -14.8078417745596 | etot = -5.62847191165043 -253000 ekin = 5.04264218495095 | erot = 4.16759058212263 | epot = -14.838704678282 | etot = -5.62847191120844 -254000 ekin = 4.99116344078048 | erot = 4.24248912288112 | epot = -14.8621245493453 | etot = -5.62847198568369 -255000 ekin = 4.72637462797871 | erot = 4.24407837664264 | epot = -14.5989249325882 | etot = -5.6284719279668 -256000 ekin = 4.5983410999774 | erot = 4.36369782211666 | epot = -14.5905108365033 | etot = -5.62847191440919 -257000 ekin = 4.77089539877151 | erot = 4.60066315316504 | epot = -15.0000305289983 | etot = -5.62847197706171 -258000 ekin = 4.85704242989419 | erot = 4.66807324377228 | epot = -15.1535875814204 | etot = -5.62847190775396 -259000 ekin = 4.89901811471739 | erot = 4.72718635922047 | epot = -15.2546763808625 | etot = -5.62847190692464 -260000 ekin = 4.94107094738747 | erot = 4.79406863686981 | epot = -15.3636114914173 | etot = -5.62847190716002 -261000 ekin = 4.98242309074267 | erot = 4.86508628582396 | epot = -15.4759812846277 | etot = -5.6284719080611 -262000 ekin = 5.01659840997846 | erot = 4.93871137849118 | epot = -15.5837816973714 | etot = -5.62847190890171 -263000 ekin = 5.03982661193798 | erot = 5.00983839413087 | epot = -15.6781369155771 | etot = -5.62847190950828 -264000 ekin = 5.04732696349148 | erot = 5.07389667599964 | epot = -15.7496955495982 | etot = -5.62847191010705 -265000 ekin = 5.03448807084358 | erot = 5.12688367714283 | epot = -15.7898436586255 | etot = -5.62847191063912 -266000 ekin = 4.99773438958879 | erot = 5.16480683532682 | epot = -15.7910131359658 | etot = -5.62847191105018 -267000 ekin = 4.93508497405503 | erot = 5.18388050751039 | epot = -15.7474373928691 | etot = -5.62847191130366 -268000 ekin = 4.84654531470116 | erot = 5.18063468559632 | epot = -15.6556519116821 | etot = -5.62847191138465 -269000 ekin = 4.7342321427388 | erot = 5.15198859732445 | epot = -15.5146926513542 | etot = -5.62847191129093 -270000 ekin = 4.60224202247752 | erot = 5.09540688817357 | epot = -15.3261208188898 | etot = -5.62847190823866 -271000 ekin = 4.45636876654147 | erot = 5.0092331738847 | epot = -15.0940738481936 | etot = -5.62847190776746 -272000 ekin = 4.30375505734686 | erot = 4.89315778304338 | epot = -14.8253847474875 | etot = -5.62847190709727 -273000 ekin = 4.15244061479158 | erot = 4.74862648123289 | epot = -14.5295390022864 | etot = -5.62847190626192 -274000 ekin = 4.01137482333751 | erot = 4.57896672456254 | epot = -14.2188134532144 | etot = -5.62847190531435 -275000 ekin = 3.87388872891805 | erot = 4.38950805794852 | epot = -13.8918687169804 | etot = -5.62847193011386 -276000 ekin = 3.70828148349795 | erot = 4.18975567949746 | epot = -13.5265090654603 | etot = -5.62847190246493 -277000 ekin = 3.74025187940053 | erot = 3.98894405210149 | epot = -13.3576678645607 | etot = -5.62847193305864 -278000 ekin = 3.74221760775279 | erot = 3.77038543691523 | epot = -13.1410749479091 | etot = -5.62847190324104 -279000 ekin = 3.75220115766707 | erot = 3.55790331814348 | epot = -12.9385763794525 | etot = -5.62847190364194 -280000 ekin = 3.77561814014602 | erot = 3.35781654492272 | epot = -12.7619065883775 | etot = -5.6284719033088 -281000 ekin = 3.81272927484946 | erot = 3.17409695196084 | epot = -12.6152981298173 | etot = -5.62847190300698 -282000 ekin = 3.8650198803709 | erot = 3.00952640154842 | epot = -12.5030181842075 | etot = -5.62847190228818 -283000 ekin = 3.93628900407371 | erot = 2.86613168181802 | epot = -12.4308925881286 | etot = -5.62847190223686 -284000 ekin = 4.02702703050937 | erot = 2.74480306500037 | epot = -12.4003019979073 | etot = -5.62847190239756 -285000 ekin = 4.14139706640688 | erot = 2.64599110157868 | epot = -12.415860069173 | etot = -5.62847190118749 -286000 ekin = 4.28525774918737 | erot = 2.56950762489262 | epot = -12.4832372763276 | etot = -5.62847190224757 -287000 ekin = 4.44987555796033 | erot = 2.51493810068412 | epot = -12.5932855609626 | etot = -5.62847190231813 -288000 ekin = 4.63520922265196 | erot = 2.48100112555789 | epot = -12.744682251553 | etot = -5.62847190334311 -289000 ekin = 4.83125797005919 | erot = 2.46527241539785 | epot = -12.9250022896926 | etot = -5.6284719042356 -290000 ekin = 5.02763799219706 | erot = 2.46542435682136 | epot = -13.1215342541046 | etot = -5.62847190508614 -291000 ekin = 5.21465468575957 | erot = 2.47913524144863 | epot = -13.3222618329728 | etot = -5.62847190576458 -292000 ekin = 5.38472348790202 | erot = 2.5041643032936 | epot = -13.5173596974345 | etot = -5.62847190623886 -293000 ekin = 5.53302487062802 | erot = 2.53823701976651 | epot = -13.6997337969567 | etot = -5.6284719065622 -294000 ekin = 5.65718701899293 | erot = 2.57877496353312 | epot = -13.8644338893377 | etot = -5.62847190681162 -295000 ekin = 5.75652780496415 | erot = 2.62269919784384 | epot = -14.0076989098378 | etot = -5.62847190702984 -296000 ekin = 5.83139499491232 | erot = 2.66652171229258 | epot = -14.1263886144137 | etot = -5.62847190720875 -297000 ekin = 5.88282356331969 | erot = 2.70675614330348 | epot = -14.2180516139344 | etot = -5.62847190731125 -298000 ekin = 5.91239748765017 | erot = 2.74048494300967 | epot = -14.2813543379696 | etot = -5.62847190730976 -299000 ekin = 5.92208198046302 | erot = 2.7658529930222 | epot = -14.3164068806914 | etot = -5.62847190720614 -300000 ekin = 5.91390942018638 | erot = 2.78233336188674 | epot = -14.324714689099 | etot = -5.62847190702586 -301000 ekin = 5.88962133511142 | erot = 2.7907435367592 | epot = -14.3088367786656 | etot = -5.62847190679494 -302000 ekin = 5.85048781420819 | erot = 2.79307875791685 | epot = -14.2720384786482 | etot = -5.62847190652318 -303000 ekin = 5.79743517876854 | erot = 2.79223225552545 | epot = -14.2181393405041 | etot = -5.62847190621011 -304000 ekin = 5.73124340760361 | erot = 2.79262915089269 | epot = -14.1523444641601 | etot = -5.62847190566384 -305000 ekin = 5.6525826846959 | erot = 2.79940899091188 | epot = -14.0804635809897 | etot = -5.62847190538192 -306000 ekin = 5.56254653522781 | erot = 2.81503734235279 | epot = -14.0060557827393 | etot = -5.62847190515871 -307000 ekin = 5.46251129680399 | erot = 2.84075892386306 | epot = -13.9317421257015 | etot = -5.62847190503446 -308000 ekin = 5.35391293499449 | erot = 2.87633235164438 | epot = -13.8587171916715 | etot = -5.62847190503264 -309000 ekin = 5.2380500741113 | erot = 2.91996940723583 | epot = -13.7864913863831 | etot = -5.62847190503601 -310000 ekin = 5.11613875821884 | erot = 2.96880482960341 | epot = -13.7134154931087 | etot = -5.62847190528648 -311000 ekin = 4.98925852658652 | erot = 3.01839769776058 | epot = -13.6361281298153 | etot = -5.62847190546825 -312000 ekin = 4.85867326621518 | erot = 3.06421411593807 | epot = -13.5513592877758 | etot = -5.62847190562251 -313000 ekin = 4.72585112666549 | erot = 3.10236590330291 | epot = -13.4566889356326 | etot = -5.62847190566415 -314000 ekin = 4.59293421045381 | erot = 3.13002199529404 | epot = -13.3514281113052 | etot = -5.62847190555729 -315000 ekin = 4.4627066997064 | erot = 3.14588950387965 | epot = -13.2370681089042 | etot = -5.62847190531813 -316000 ekin = 4.33845457033203 | erot = 3.15016989318611 | epot = -13.1170963685038 | etot = -5.62847190498567 -317000 ekin = 4.22370149066224 | erot = 3.14429402987658 | epot = -12.9964674251464 | etot = -5.62847190460756 -318000 ekin = 4.12188681799686 | erot = 3.13056754978643 | epot = -12.8809262720098 | etot = -5.62847190422654 -319000 ekin = 4.03607214170871 | erot = 3.11184182787653 | epot = -12.7763858734568 | etot = -5.62847190387152 -320000 ekin = 3.96873641007907 | erot = 3.09128048612339 | epot = -12.688488799756 | etot = -5.62847190355351 -321000 ekin = 3.92167797368546 | erot = 3.07226107994542 | epot = -12.6224109569023 | etot = -5.62847190327139 -322000 ekin = 3.8960097142194 | erot = 3.05833648374953 | epot = -12.5828181009975 | etot = -5.62847190302861 -323000 ekin = 3.89216326551543 | erot = 3.0532307872066 | epot = -12.5738659555595 | etot = -5.62847190283749 -324000 ekin = 3.90971752720657 | erot = 3.06065920137825 | epot = -12.5988486315853 | etot = -5.62847190300047 -325000 ekin = 3.94474197767268 | erot = 3.08325557842916 | epot = -12.6564694593518 | etot = -5.62847190324995 -326000 ekin = 3.99225791211897 | erot = 3.12131666196214 | epot = -12.742046477854 | etot = -5.62847190377287 -327000 ekin = 4.047157518191 | erot = 3.17277573873514 | epot = -12.8484051615009 | etot = -5.62847190457475 -328000 ekin = 4.10306827949969 | erot = 3.2328980910145 | epot = -12.964438276116 | etot = -5.62847190560186 -329000 ekin = 4.15294077797405 | erot = 3.29460254686706 | epot = -13.076015231516 | etot = -5.62847190667492 -330000 ekin = 4.1904608637893 | erot = 3.34957314359003 | epot = -13.1685059148823 | etot = -5.62847190750294 -331000 ekin = 4.21187936705087 | erot = 3.38989153266343 | epot = -13.2302428076831 | etot = -5.62847190796882 -332000 ekin = 4.21589857653964 | erot = 3.41075094374536 | epot = -13.2551214281407 | etot = -5.62847190785568 -333000 ekin = 4.20485266000532 | erot = 3.41174399824562 | epot = -13.2450685654464 | etot = -5.62847190719542 -334000 ekin = 4.18435368276617 | erot = 3.39692225044008 | epot = -13.2097478393658 | etot = -5.62847190615951 -335000 ekin = 4.16205455861975 | erot = 3.37367623593909 | epot = -13.1642026995469 | etot = -5.62847190498801 -336000 ekin = 4.14609491421151 | erot = 3.35093309666115 | epot = -13.1254999147779 | etot = -5.62847190390525 -337000 ekin = 4.14364358931889 | erot = 3.3373696460562 | epot = -13.1094851384478 | etot = -5.62847190307275 -338000 ekin = 4.15982493123665 | erot = 3.33968220642664 | epot = -13.1279790403949 | etot = -5.62847190273164 -339000 ekin = 4.19714166716502 | erot = 3.36120406394443 | epot = -13.1868176337171 | etot = -5.6284719026077 -340000 ekin = 4.25518474381703 | erot = 3.40394456534442 | epot = -13.2876012119618 | etot = -5.62847190280037 -341000 ekin = 4.33079125360721 | erot = 3.46797257818222 | epot = -13.4272357350295 | etot = -5.62847190324003 -342000 ekin = 4.41854745259014 | erot = 3.55173943759921 | epot = -13.5987587940374 | etot = -5.62847190384803 -343000 ekin = 4.51153864838651 | erot = 3.65250494550752 | epot = -13.7925154984427 | etot = -5.62847190454867 -344000 ekin = 4.60219231317934 | erot = 3.76671918648138 | epot = -13.9973834049171 | etot = -5.6284719052564 -345000 ekin = 4.68312343519931 | erot = 3.89042211424799 | epot = -14.2020174553524 | etot = -5.62847190590513 -346000 ekin = 4.74786790539669 | erot = 4.01955036384103 | epot = -14.3958901756814 | etot = -5.62847190644372 -347000 ekin = 4.79150376886026 | erot = 4.15019529884424 | epot = -14.5701709745013 | etot = -5.62847190679678 -348000 ekin = 4.81117855585283 | erot = 4.27877359764576 | epot = -14.7184240605496 | etot = -5.62847190705096 -349000 ekin = 4.80564918858973 | erot = 4.40205662692522 | epot = -14.8361777226847 | etot = -5.62847190716974 -350000 ekin = 4.77545945328669 | erot = 4.51714564005536 | epot = -14.9210770005372 | etot = -5.62847190719515 -351000 ekin = 4.72262273321602 | erot = 4.62116010888737 | epot = -14.9722547493095 | etot = -5.62847190720615 -352000 ekin = 4.65007958813589 | erot = 4.71078593021341 | epot = -14.9893374256312 | etot = -5.62847190728187 -353000 ekin = 4.56109157464666 | erot = 4.78180335584297 | epot = -14.9713668379544 | etot = -5.62847190746476 -354000 ekin = 4.45876151245766 | erot = 4.82895979647749 | epot = -14.9161932166601 | etot = -5.62847190772498 -355000 ekin = 4.34584612944697 | erot = 4.84663553109143 | epot = -14.8209535684649 | etot = -5.62847190792654 -356000 ekin = 4.22495470320128 | erot = 4.83038190909052 | epot = -14.6838085201832 | etot = -5.62847190789137 -357000 ekin = 4.09903296593978 | erot = 4.77873075093834 | epot = -14.5062356243625 | etot = -5.62847190748435 -358000 ekin = 3.97178667555237 | erot = 4.694445610496 | epot = -14.2947041927595 | etot = -5.62847190671115 -359000 ekin = 3.84767298928786 | erot = 4.58431182213549 | epot = -14.0604567171777 | etot = -5.6284719057544 -360000 ekin = 3.73136439808096 | erot = 4.45746613157599 | epot = -13.817302434417 | etot = -5.62847190476002 -361000 ekin = 3.62758093165083 | erot = 4.32379064505304 | epot = -13.5798434807374 | etot = -5.62847190403352 -362000 ekin = 3.54294892306474 | erot = 4.19358097114481 | epot = -13.3650017978889 | etot = -5.62847190367933 -363000 ekin = 3.47837311691428 | erot = 4.07207692082325 | epot = -13.1789219412969 | etot = -5.62847190355939 -364000 ekin = 3.43225009806373 | erot = 3.961931941418 | epot = -13.0226539430709 | etot = -5.62847190358919 -365000 ekin = 3.40198388463965 | erot = 3.86460642705396 | epot = -12.8950622153806 | etot = -5.62847190368699 -366000 ekin = 3.38451833853004 | erot = 3.78104622244734 | epot = -12.7940364647605 | etot = -5.62847190378312 -367000 ekin = 3.37682483159018 | erot = 3.71218000857436 | epot = -12.7174767440077 | etot = -5.62847190384314 -368000 ekin = 3.37625204139483 | erot = 3.65912147822851 | epot = -12.663845423478 | etot = -5.62847190385467 -369000 ekin = 3.38074636727773 | erot = 3.62312680344527 | epot = -12.6323450745499 | etot = -5.62847190382689 -370000 ekin = 3.38894636699741 | erot = 3.6053885663719 | epot = -12.6228068371906 | etot = -5.62847190382132 -371000 ekin = 3.40011634061024 | erot = 3.60672333638143 | epot = -12.6353115807398 | etot = -5.62847190374812 -372000 ekin = 3.41430323563923 | erot = 3.62748920224192 | epot = -12.6702643415807 | etot = -5.62847190369956 -373000 ekin = 3.43217624796659 | erot = 3.66740997408926 | epot = -12.7280581256002 | etot = -5.62847190354439 -374000 ekin = 3.45538314687178 | erot = 3.7253207076687 | epot = -12.8091757581692 | etot = -5.62847190362873 -375000 ekin = 3.48458983104435 | erot = 3.79950576966702 | epot = -12.9125675044683 | etot = -5.62847190375694 -376000 ekin = 3.51994630864513 | erot = 3.88772077542083 | epot = -13.0361389879923 | etot = -5.62847190392634 -377000 ekin = 3.56162263240472 | erot = 3.9871803208762 | epot = -13.1772748573754 | etot = -5.62847190409448 -378000 ekin = 3.61009229020311 | erot = 4.09470007582312 | epot = -13.3332642703315 | etot = -5.62847190430525 -379000 ekin = 3.6662193925352 | erot = 4.20668278517003 | epot = -13.5013740821488 | etot = -5.62847190444354 -380000 ekin = 3.73222313436681 | erot = 4.31893025306561 | epot = -13.6796252923123 | etot = -5.6284719048799 -381000 ekin = 3.80656943725205 | erot = 4.42661769095661 | epot = -13.8616590336604 | etot = -5.6284719054517 -382000 ekin = 3.88594558527767 | erot = 4.52459411506728 | epot = -14.0390116064294 | etot = -5.62847190608449 -383000 ekin = 3.96695090001183 | erot = 4.60747433895868 | epot = -14.2028971456956 | etot = -5.62847190672509 -384000 ekin = 4.04619645069185 | erot = 4.66967915258317 | epot = -14.3443475105725 | etot = -5.6284719072975 -385000 ekin = 4.12092029138874 | erot = 4.70599192062998 | epot = -14.4553841196892 | etot = -5.62847190767044 -386000 ekin = 4.18945537163874 | erot = 4.71237691681113 | epot = -14.5303041965569 | etot = -5.628471908107 -387000 ekin = 4.24770733745816 | erot = 4.6853187164366 | epot = -14.5614979619499 | etot = -5.62847190805516 -388000 ekin = 4.29400518232716 | erot = 4.62433064764756 | epot = -14.5468077376865 | etot = -5.62847190771175 -389000 ekin = 4.3297375103539 | erot = 4.53230747814506 | epot = -14.4905168956645 | etot = -5.62847190716558 -390000 ekin = 4.35696496432295 | erot = 4.41432356914497 | epot = -14.3997604400378 | etot = -5.62847190656983 -391000 ekin = 4.37768888460278 | erot = 4.27672755000021 | epot = -14.282888340541 | etot = -5.62847190593804 -392000 ekin = 4.39398588699936 | erot = 4.12625191224331 | epot = -14.1487097046239 | etot = -5.62847190538126 -393000 ekin = 4.40738241117201 | erot = 3.96936593194957 | epot = -14.0052202479462 | etot = -5.62847190482465 -394000 ekin = 4.41937568154471 | erot = 3.81285278686775 | epot = -13.8607003730767 | etot = -5.62847190466425 -395000 ekin = 4.42988768163289 | erot = 3.6606594657542 | epot = -13.7190190519195 | etot = -5.62847190453239 -396000 ekin = 4.4384747658818 | erot = 3.51525603215002 | epot = -13.582202702425 | etot = -5.62847190439317 -397000 ekin = 4.44517728395988 | erot = 3.37891512777609 | epot = -13.4525643159543 | etot = -5.62847190421834 -398000 ekin = 4.45064950024889 | erot = 3.25392386318741 | epot = -13.3330452674345 | etot = -5.62847190399817 -399000 ekin = 4.45613851376204 | erot = 3.14269651881636 | epot = -13.2273069363788 | etot = -5.62847190380041 -400000 ekin = 4.46297608304487 | erot = 3.04745583065375 | epot = -13.1389038172455 | etot = -5.6284719035469 -401000 ekin = 4.47275546000428 | erot = 2.97053701411307 | epot = -13.0717643774785 | etot = -5.6284719033612 -402000 ekin = 4.4867233669973 | erot = 2.91396522580546 | epot = -13.0291604961449 | etot = -5.62847190334216 -403000 ekin = 4.50482841071081 | erot = 2.8787025181007 | epot = -13.0120028324284 | etot = -5.62847190361687 -404000 ekin = 4.52484325729189 | erot = 2.86379686215192 | epot = -13.017112023697 | etot = -5.62847190425317 -405000 ekin = 4.54178669951965 | erot = 2.86535120569479 | epot = -13.035609810693 | etot = -5.62847190547854 -406000 ekin = 4.54812186975737 | erot = 2.87565623454465 | epot = -13.0522500109003 | etot = -5.62847190659829 -407000 ekin = 4.53567765660364 | erot = 2.88781666334504 | epot = -13.0519662273722 | etot = -5.62847190742353 -408000 ekin = 4.49806839870186 | erot = 2.89717319275991 | epot = -13.0237134991132 | etot = -5.62847190765146 -409000 ekin = 4.43289041822661 | erot = 2.90293173430488 | epot = -12.964294059809 | etot = -5.62847190727752 -410000 ekin = 4.34222243508758 | erot = 2.90784571764664 | epot = -12.8785400592817 | etot = -5.62847190654747 -411000 ekin = 4.23122328978881 | erot = 2.91632332331574 | epot = -12.7760185189013 | etot = -5.62847190579679 -412000 ekin = 4.10591302465951 | erot = 2.93234263227515 | epot = -12.6667275621717 | etot = -5.628471905237 -413000 ekin = 3.97147909133151 | erot = 2.9582687533974 | epot = -12.5582197496364 | etot = -5.62847190490748 -414000 ekin = 3.83169645325956 | erot = 2.9948721544271 | epot = -12.4550405124313 | etot = -5.6284719047446 -415000 ekin = 3.68915556883775 | erot = 3.04191716156322 | epot = -12.3595446350678 | etot = -5.62847190466682 -416000 ekin = 3.54575553254762 | erot = 3.09878213616461 | epot = -12.2730095733257 | etot = -5.62847190461351 -417000 ekin = 3.40315271143793 | erot = 3.16484246795223 | epot = -12.1964670839435 | etot = -5.62847190455339 -418000 ekin = 3.26306253870884 | erot = 3.23960054557895 | epot = -12.1311349887621 | etot = -5.62847190447429 -419000 ekin = 3.12743539443673 | erot = 3.32265867815324 | epot = -12.078565976964 | etot = -5.62847190437406 -420000 ekin = 2.99854685245618 | erot = 3.413623963495 | epot = -12.0406427202084 | etot = -5.62847190425726 -421000 ekin = 2.87901712489708 | erot = 3.51197880383063 | epot = -12.0194678328653 | etot = -5.62847190413762 -422000 ekin = 2.7717459604952 | erot = 3.61690112207128 | epot = -12.0171189866093 | etot = -5.62847190404282 -423000 ekin = 2.67973794661924 | erot = 3.72700827489768 | epot = -12.0352181255331 | etot = -5.62847190401615 -424000 ekin = 2.60579870925969 | erot = 3.84002717531602 | epot = -12.0742977886897 | etot = -5.62847190411396 -425000 ekin = 2.55208954524874 | erot = 3.95244167896246 | epot = -12.1330031286114 | etot = -5.62847190440024 -426000 ekin = 2.5195465304227 | erot = 4.05920212809832 | epot = -12.2072205634524 | etot = -5.62847190493139 -427000 ekin = 2.50725893888466 | erot = 4.15363681832286 | epot = -12.2893676629242 | etot = -5.62847190571666 -428000 ekin = 2.5121048517315 | erot = 4.2278239961629 | epot = -12.3684007545458 | etot = -5.62847190665139 -429000 ekin = 2.52911833231243 | erot = 4.27377369073984 | epot = -12.4313639305347 | etot = -5.62847190748239 -430000 ekin = 2.55284926699264 | erot = 4.28551618828037 | epot = -12.4668373631639 | etot = -5.62847190789086 -431000 ekin = 2.57924139418519 | erot = 4.2614241203789 | epot = -12.4691374222491 | etot = -5.62847190768504 -432000 ekin = 2.60692475465593 | erot = 4.20541068246933 | epot = -12.4408073440645 | etot = -5.62847190693923 -433000 ekin = 2.63712842981491 | erot = 4.12604912501693 | epot = -12.3916494607697 | etot = -5.62847190593788 -434000 ekin = 2.67245542240816 | erot = 4.03405948921518 | epot = -12.334986816614 | etot = -5.6284719049907 -435000 ekin = 2.71543854639996 | erot = 3.93961255970856 | epot = -12.2835230103947 | etot = -5.62847190428618 -436000 ekin = 2.7676099134144 | erot = 3.85063248523209 | epot = -12.2467143025251 | etot = -5.62847190387865 -437000 ekin = 2.82920515671658 | erot = 3.77223859650373 | epot = -12.229915656949 | etot = -5.62847190372866 -438000 ekin = 2.89929820058893 | erot = 3.7070750997503 | epot = -12.2348452041092 | etot = -5.62847190376996 -439000 ekin = 2.9760933415543 | erot = 3.65590372388935 | epot = -12.2604689693862 | etot = -5.62847190394252 -440000 ekin = 3.05720906612876 | erot = 3.6181520078374 | epot = -12.3038329781688 | etot = -5.62847190420265 -441000 ekin = 3.13989672828805 | erot = 3.59232302399544 | epot = -12.3606916568035 | etot = -5.62847190452001 -442000 ekin = 3.22119927518473 | erot = 3.57626892519867 | epot = -12.425940105259 | etot = -5.62847190487565 -443000 ekin = 3.29807867301736 | erot = 3.56737972995847 | epot = -12.493930308225 | etot = -5.62847190524917 -444000 ekin = 3.3675388394357 | erot = 3.56276348927201 | epot = -12.5587742343283 | etot = -5.62847190562061 -445000 ekin = 3.42676046580554 | erot = 3.55942025918735 | epot = -12.6146526309605 | etot = -5.62847190596761 -446000 ekin = 3.47324383646255 | erot = 3.55443462308767 | epot = -12.6561503658212 | etot = -5.62847190627101 -447000 ekin = 3.50497354375501 | erot = 3.54511419619497 | epot = -12.6785596464587 | etot = -5.6284719065087 -448000 ekin = 3.52056213082342 | erot = 3.52974100709899 | epot = -12.678775044445 | etot = -5.62847190652254 -449000 ekin = 3.51939696589681 | erot = 3.50705904510715 | epot = -12.6549279176116 | etot = -5.6284719066076 -450000 ekin = 3.50164536052004 | erot = 3.47565071065649 | epot = -12.6057679777786 | etot = -5.62847190660206 -451000 ekin = 3.46824790705928 | erot = 3.43472151202187 | epot = -12.531441325585 | etot = -5.6284719065038 -452000 ekin = 3.42090312734581 | erot = 3.38414558728953 | epot = -12.4335206209496 | etot = -5.62847190631427 -453000 ekin = 3.36201791826099 | erot = 3.32449206045047 | epot = -12.31498188475 | etot = -5.62847190603854 -454000 ekin = 3.29463316058018 | erot = 3.25701739818687 | epot = -12.1801224644535 | etot = -5.62847190568649 -455000 ekin = 3.22233274896039 | erot = 3.18360703276426 | epot = -12.0344116869964 | etot = -5.62847190527174 -456000 ekin = 3.14914248625823 | erot = 3.10666992197635 | epot = -11.8842843130478 | etot = -5.62847190481318 -457000 ekin = 3.07939737170073 | erot = 3.02894564058048 | epot = -11.736814916623 | etot = -5.62847190434179 -458000 ekin = 3.01756413265085 | erot = 2.95322108562052 | epot = -11.5992571221255 | etot = -5.62847190385414 -459000 ekin = 2.96810632520863 | erot = 2.88249754735619 | epot = -11.479075775972 | etot = -5.62847190340717 -460000 ekin = 2.93513889000246 | erot = 2.8195526752032 | epot = -11.3831634682429 | etot = -5.62847190303722 -461000 ekin = 2.92205746386031 | erot = 2.76669234907353 | epot = -11.3172217157159 | etot = -5.62847190278208 -462000 ekin = 2.93114290148357 | erot = 2.72556812595166 | epot = -11.2851829301103 | etot = -5.62847190267507 -463000 ekin = 2.96319319678696 | erot = 2.69703193760775 | epot = -11.2886970371337 | etot = -5.62847190273899 -464000 ekin = 3.01726238567789 | erot = 2.68105615129522 | epot = -11.3267904399509 | etot = -5.62847190297782 -465000 ekin = 3.0905839893169 | erot = 2.67674994758358 | epot = -11.395805840273 | etot = -5.62847190337253 -466000 ekin = 3.17872270900187 | erot = 2.68248866699541 | epot = -11.4896832798804 | etot = -5.62847190388315 -467000 ekin = 3.27594114496298 | erot = 2.69614045584725 | epot = -11.6005535052675 | etot = -5.62847190445725 -468000 ekin = 3.37571282134157 | erot = 2.71534026239274 | epot = -11.7195249887762 | etot = -5.62847190504193 -469000 ekin = 3.47128178263097 | erot = 2.73774679762323 | epot = -11.8375004858465 | etot = -5.62847190559228 -470000 ekin = 3.55617737699251 | erot = 2.76123628660567 | epot = -11.9458855696746 | etot = -5.62847190607642 -471000 ekin = 3.62463309399585 | erot = 2.78402790003228 | epot = -12.0371329004995 | etot = -5.62847190647142 -472000 ekin = 3.67190559892006 | erot = 2.80477124778249 | epot = -12.1051487534616 | etot = -5.6284719067591 -473000 ekin = 3.69451868440089 | erot = 2.82263116140754 | epot = -12.1456217527309 | etot = -5.62847190692251 -474000 ekin = 3.69045746330095 | erot = 2.83737882568667 | epot = -12.1563081959356 | etot = -5.62847190694794 -475000 ekin = 3.6593211634895 | erot = 2.84946541727286 | epot = -12.1372584875897 | etot = -5.62847190682734 -476000 ekin = 3.60242486136352 | erot = 2.86004016499292 | epot = -12.0909369329187 | etot = -5.62847190656224 -477000 ekin = 3.52282746237348 | erot = 2.87088465736541 | epot = -12.022184025903 | etot = -5.62847190616409 -478000 ekin = 3.42525452627072 | erot = 2.88424967271448 | epot = -11.9379761046535 | etot = -5.62847190566833 -479000 ekin = 3.31588349736032 | erot = 2.90254646897832 | epot = -11.8469018714573 | etot = -5.62847190511867 -480000 ekin = 3.20192949242862 | erot = 2.92801081392743 | epot = -11.7584122109371 | etot = -5.62847190458104 -481000 ekin = 3.09102106837914 | erot = 2.96227510042882 | epot = -11.6817680729442 | etot = -5.62847190413626 -482000 ekin = 2.99039932398843 | erot = 3.00590839371542 | epot = -11.6247796215703 | etot = -5.62847190386642 -483000 ekin = 2.90605693342726 | erot = 3.05799802966767 | epot = -11.5925268669332 | etot = -5.62847190383822 -484000 ekin = 2.84200171523337 | erot = 3.11586840866181 | epot = -11.5863420279766 | etot = -5.62847190408139 -485000 ekin = 2.81072036470602 | erot = 3.03665546459291 | epot = -11.4758477218386 | etot = -5.6284718925397 -486000 ekin = 2.99172671796881 | erot = 2.89028588607158 | epot = -11.5104845147713 | etot = -5.62847191073092 -487000 ekin = 3.04661020882536 | erot = 2.89516257155047 | epot = -11.570244686013 | etot = -5.62847190563722 -488000 ekin = 3.02813445462026 | erot = 2.91755814175518 | epot = -11.5741645019136 | etot = -5.62847190553817 -489000 ekin = 3.02918173190443 | erot = 2.94703274342909 | epot = -11.6046863809385 | etot = -5.62847190560502 -490000 ekin = 3.04920929976752 | erot = 2.9829992143963 | epot = -11.6606804199874 | etot = -5.62847190582359 -491000 ekin = 3.08564623424383 | erot = 3.02458607703026 | epot = -11.7387042173963 | etot = -5.62847190612219 -492000 ekin = 3.13426650217752 | erot = 3.07113014038979 | epot = -11.8338685490083 | etot = -5.62847190644095 -493000 ekin = 3.19024782359286 | erot = 3.12246736377248 | epot = -11.9411870940141 | etot = -5.62847190664877 -494000 ekin = 3.24418110407867 | erot = 3.17757093528454 | epot = -12.0502240478831 | etot = -5.62847200851984 -495000 ekin = 3.12930691891059 | erot = 3.12025770009336 | epot = -11.8780365338362 | etot = -5.62847191483222 -496000 ekin = 3.38154400846385 | erot = 3.12702216682413 | epot = -12.1370381395015 | etot = -5.6284719642135 -497000 ekin = 3.53796334307627 | erot = 3.21345240185485 | epot = -12.3798876661722 | etot = -5.62847192124111 -498000 ekin = 3.54725242247929 | erot = 3.31274815695536 | epot = -12.4884725006935 | etot = -5.62847192125882 -499000 ekin = 3.54686752395102 | erot = 3.42936350672183 | epot = -12.604702952023 | etot = -5.6284719213501 -500000 ekin = 3.53611629145842 | erot = 3.56214471849631 | epot = -12.7267329314715 | etot = -5.62847192151679 -501000 ekin = 3.51474019585048 | erot = 3.70831240063284 | epot = -12.8515245182456 | etot = -5.62847192176227 -502000 ekin = 3.48291543617475 | erot = 3.86351597858863 | epot = -12.9749033367585 | etot = -5.62847192199508 -503000 ekin = 3.44167367984357 | erot = 4.02200657195861 | epot = -13.0921521741542 | etot = -5.62847192235202 -504000 ekin = 3.39166561937802 | erot = 4.17733332042956 | epot = -13.1974708625528 | etot = -5.62847192274522 -505000 ekin = 3.33344269450369 | erot = 4.32266370127691 | epot = -13.2845783189171 | etot = -5.62847192313649 -506000 ekin = 3.26726906278953 | erot = 4.45157764164142 | epot = -13.3473186278349 | etot = -5.62847192340397 -507000 ekin = 3.19388361648963 | erot = 4.55898983229643 | epot = -13.3813453722758 | etot = -5.62847192348974 -508000 ekin = 3.11462724048527 | erot = 4.64207406472335 | epot = -13.3851732285476 | etot = -5.62847192333896 -509000 ekin = 3.03154551889806 | erot = 4.70083202644182 | epot = -13.3608494683002 | etot = -5.62847192296028 -510000 ekin = 2.94513058611301 | erot = 4.73730594222395 | epot = -13.3109084508275 | etot = -5.62847192249055 -511000 ekin = 2.85640718494208 | erot = 4.75516581382858 | epot = -13.2400449206964 | etot = -5.62847192192573 -512000 ekin = 2.76854482524886 | erot = 4.75962991523446 | epot = -13.1566466618523 | etot = -5.62847192136897 -513000 ekin = 2.68465921482974 | erot = 4.75599513194259 | epot = -13.0691262676749 | etot = -5.62847192090256 -514000 ekin = 2.60745568314133 | erot = 4.7487016865945 | epot = -12.9846292903229 | etot = -5.6284719205871 -515000 ekin = 2.53899080264093 | erot = 4.74082869237892 | epot = -12.9082914154295 | etot = -5.62847192040964 -516000 ekin = 2.4805786289685 | erot = 4.73416754061948 | epot = -12.8432180899488 | etot = -5.62847192036078 -517000 ekin = 2.43281299020428 | erot = 4.72933651070645 | epot = -12.7906214213182 | etot = -5.62847192040746 -518000 ekin = 2.39567246200902 | erot = 4.72611868192658 | epot = -12.7502630644448 | etot = -5.62847192050918 -519000 ekin = 2.36868008077583 | erot = 4.72386163456227 | epot = -12.7210136359631 | etot = -5.62847192062505 -520000 ekin = 2.3510906803193 | erot = 4.72186744274965 | epot = -12.7014300437884 | etot = -5.62847192071945 -521000 ekin = 2.34207426124194 | erot = 4.71970227698523 | epot = -12.6902484589981 | etot = -5.62847192077095 -522000 ekin = 2.340858583968 | erot = 4.71735113725796 | epot = -12.6866816420039 | etot = -5.62847192077794 -523000 ekin = 2.34541603965324 | erot = 4.65571671259031 | epot = -12.6296046827302 | etot = -5.62847193048665 -524000 ekin = 2.39460269542338 | erot = 4.54409239666456 | epot = -12.5671670123716 | etot = -5.62847192028367 -525000 ekin = 2.51755565352142 | erot = 4.49060445319741 | epot = -12.6366320324481 | etot = -5.62847192572927 -526000 ekin = 2.63891940341078 | erot = 4.49670026126345 | epot = -12.7640916024644 | etot = -5.62847193779014 -527000 ekin = 2.68130557078061 | erot = 4.50503337375483 | epot = -12.8148108746342 | etot = -5.6284719300988 -528000 ekin = 2.71450795010167 | erot = 4.51098798629419 | epot = -12.8539678665943 | etot = -5.62847193019847 -529000 ekin = 2.74727192393578 | erot = 4.51402301142804 | epot = -12.8897668656323 | etot = -5.62847193026851 -530000 ekin = 2.77952118313533 | erot = 4.51256666252574 | epot = -12.9205597759558 | etot = -5.62847193029471 -531000 ekin = 2.81130699778189 | erot = 4.50555264766606 | epot = -12.9453315757214 | etot = -5.62847193027343 -532000 ekin = 2.84274553226625 | erot = 4.49253106980067 | epot = -12.9637485322803 | etot = -5.62847193021333 -533000 ekin = 2.87393313768489 | erot = 4.47361780233235 | epot = -12.9760228701517 | etot = -5.62847193013447 -534000 ekin = 2.9048693380618 | erot = 4.44928844615846 | epot = -12.9826297142804 | etot = -5.62847193006009 -535000 ekin = 2.93541519863514 | erot = 4.42010482064679 | epot = -12.9839919492879 | etot = -5.62847193000594 -536000 ekin = 2.96529830145678 | erot = 4.38649798395329 | epot = -12.9802682153867 | etot = -5.62847192997666 -537000 ekin = 2.99415467148711 | erot = 4.34867665836371 | epot = -12.9713032598077 | etot = -5.62847192995683 -538000 ekin = 3.02158801646915 | erot = 4.30669342610079 | epot = -12.9567533725263 | etot = -5.62847192995632 -539000 ekin = 3.04722844370983 | erot = 4.26048951905857 | epot = -12.9361898927207 | etot = -5.6284719299523 -540000 ekin = 3.07077963641468 | erot = 4.21000980479945 | epot = -12.9092613711494 | etot = -5.62847192993531 -541000 ekin = 3.09204730614512 | erot = 4.15535061586997 | epot = -12.8758698519159 | etot = -5.62847192990077 -542000 ekin = 3.11094831331516 | erot = 4.09682671840137 | epot = -12.8362469615643 | etot = -5.62847192984778 -543000 ekin = 3.12750284881097 | erot = 4.03499383132543 | epot = -12.7909686099158 | etot = -5.6284719297794 -544000 ekin = 3.14181233916593 | erot = 3.97062692622017 | epot = -12.7409111950905 | etot = -5.62847192970443 -545000 ekin = 3.15402369277102 | erot = 3.90462208418003 | epot = -12.6871177065823 | etot = -5.62847192963125 -546000 ekin = 3.16427777376567 | erot = 3.83809465728464 | epot = -12.6308443606135 | etot = -5.62847192956321 -547000 ekin = 3.17263245314568 | erot = 3.77248542238257 | epot = -12.5735898050643 | etot = -5.62847192953605 -548000 ekin = 3.179051141272 | erot = 3.70842416476057 | epot = -12.5159472355757 | etot = -5.6284719295431 -549000 ekin = 3.18335924851754 | erot = 3.64619443423589 | epot = -12.4580256122966 | etot = -5.62847192954316 -550000 ekin = 3.18506506659047 | erot = 3.58603484428966 | epot = -12.3995718405372 | etot = -5.62847192965712 -551000 ekin = 3.18354118864977 | erot = 3.52751972614617 | epot = -12.3395328445918 | etot = -5.62847192979591 -552000 ekin = 3.17814056098378 | erot = 3.4697331722894 | epot = -12.2763456632104 | etot = -5.62847192993727 -553000 ekin = 3.16816249045812 | erot = 3.41187716293306 | epot = -12.2085115834396 | etot = -5.62847193004847 -554000 ekin = 3.15297464053773 | erot = 3.35363386892402 | epot = -12.1350804395537 | etot = -5.6284719300919 -555000 ekin = 3.13218065539089 | erot = 3.29554931591432 | epot = -12.0562019013385 | etot = -5.62847193003333 -556000 ekin = 3.10581995739448 | erot = 3.23932890454546 | epot = -11.97362079179 | etot = -5.62847192985007 -557000 ekin = 3.0745788389332 | erot = 3.1879540330783 | epot = -11.8910048015461 | etot = -5.62847192953461 -558000 ekin = 3.03998262648526 | erot = 3.1455370733645 | epot = -11.8139916289626 | etot = -5.62847192911286 -559000 ekin = 3.00450378979627 | erot = 3.11693712837836 | epot = -11.7499128467596 | etot = -5.62847192858498 -560000 ekin = 2.97145203616973 | erot = 3.10758181987614 | epot = -11.7075057840726 | etot = -5.62847192802673 -561000 ekin = 2.94451934096015 | erot = 3.12267269756051 | epot = -11.695663966089 | etot = -5.62847192756838 -562000 ekin = 2.92714140951177 | erot = 3.16633554925042 | epot = -11.7219488860146 | etot = -5.62847192725238 -563000 ekin = 2.92206147619018 | erot = 3.24077054357084 | epot = -11.7913039469645 | etot = -5.62847192720349 -564000 ekin = 2.93031627647214 | erot = 3.34563410959066 | epot = -11.904422313567 | etot = -5.62847192750415 -565000 ekin = 2.95068712283333 | erot = 3.47751232966821 | epot = -12.0566713806597 | etot = -5.62847192815818 -566000 ekin = 2.97962685511686 | erot = 3.62985521360919 | epot = -12.2379539978553 | etot = -5.62847192912925 -567000 ekin = 3.01171593565445 | erot = 3.79324477343165 | epot = -12.4334326394058 | etot = -5.62847193031967 -568000 ekin = 3.0405447743718 | erot = 3.95610049179515 | epot = -12.6251171977589 | etot = -5.62847193159194 -569000 ekin = 3.05981811069109 | erot = 4.10576505741751 | epot = -12.7940551008957 | etot = -5.62847193278708 -570000 ekin = 3.06446758287987 | erot = 4.22987220717996 | epot = -12.9228117238052 | etot = -5.62847193374534 -571000 ekin = 3.05159191031777 | erot = 4.31782950115015 | epot = -12.9978933457979 | etot = -5.62847193433 -572000 ekin = 3.02108996830544 | erot = 4.36217384049608 | epot = -13.0117357432537 | etot = -5.62847193445217 -573000 ekin = 2.97589592637986 | erot = 4.35953364453791 | epot = -12.9639015050083 | etot = -5.6284719340905 -574000 ekin = 2.92177260939836 | erot = 4.31098813653063 | epot = -12.8612326792314 | etot = -5.6284719333024 -575000 ekin = 2.86675845138713 | erot = 4.22206447607902 | epot = -12.717294857508 | etot = -5.62847193004183 -576000 ekin = 2.8223869503789 | erot = 4.11002108703159 | epot = -12.5608799669315 | etot = -5.62847192952098 -577000 ekin = 2.79586021282698 | erot = 3.98405314235611 | epot = -12.4083852842739 | etot = -5.62847192909081 -578000 ekin = 2.79062678644879 | erot = 3.84816173900883 | epot = -12.2672604543092 | etot = -5.62847192885153 -579000 ekin = 2.80727876762157 | erot = 3.7063076839788 | epot = -12.1420583804356 | etot = -5.62847192883522 -580000 ekin = 2.84308800282857 | erot = 3.56147502222138 | epot = -12.033034954352 | etot = -5.62847192930204 -581000 ekin = 2.89275945168389 | erot = 3.41677708036392 | epot = -11.9380084614241 | etot = -5.62847192937627 -582000 ekin = 2.94948274098648 | erot = 3.27852635628754 | epot = -11.8564810267198 | etot = -5.62847192944578 -583000 ekin = 3.0060031278149 | erot = 3.15339507864773 | epot = -11.7878701358921 | etot = -5.62847192942947 -584000 ekin = 3.05615870303891 | erot = 3.04800743030686 | epot = -11.7326380626508 | etot = -5.62847192930502 -585000 ekin = 3.09596263910058 | erot = 2.96828908150272 | epot = -11.6927236496984 | etot = -5.62847192909508 -586000 ekin = 3.1240729820111 | erot = 2.91878541586934 | epot = -11.6713303267112 | etot = -5.6284719288308 -587000 ekin = 3.14174614222906 | erot = 2.90225430090919 | epot = -11.6724723716795 | etot = -5.62847192854131 -588000 ekin = 3.15240031624116 | erot = 2.91960613640703 | epot = -11.700478380913 | etot = -5.62847192826478 -589000 ekin = 3.16081808258331 | erot = 2.97006448171823 | epot = -11.7593544923455 | etot = -5.62847192804401 -590000 ekin = 3.17204827386564 | erot = 3.05134069925118 | epot = -11.8518609010364 | etot = -5.62847192791959 -591000 ekin = 3.19150299840181 | erot = 3.16015018730255 | epot = -11.9801251137005 | etot = -5.62847192799616 -592000 ekin = 3.22264872303336 | erot = 3.29204057514201 | epot = -12.1431612264965 | etot = -5.62847192832117 -593000 ekin = 3.26585695463724 | erot = 3.44092346936372 | epot = -12.3352523528637 | etot = -5.62847192886271 -594000 ekin = 3.31918005195198 | erot = 3.59965335600014 | epot = -12.5473053375205 | etot = -5.62847192956837 -595000 ekin = 3.37897127081708 | erot = 3.76045843940704 | epot = -12.7679016405175 | etot = -5.62847193029343 -596000 ekin = 3.43824068576764 | erot = 3.91359738324664 | epot = -12.9803100016429 | etot = -5.6284719326286 -597000 ekin = 3.4874487679544 | erot = 4.04782437859589 | epot = -13.1637450798126 | etot = -5.62847193326233 -598000 ekin = 3.52187002166768 | erot = 4.15698580423951 | epot = -13.3073277595236 | etot = -5.62847193361645 -599000 ekin = 3.53831455068313 | erot = 4.23767846708707 | epot = -13.4044649514583 | etot = -5.6284719336881 -600000 ekin = 3.53510970425615 | erot = 4.28920847102017 | epot = -13.4527901087965 | etot = -5.62847193352019 -601000 ekin = 3.51191041812962 | erot = 4.31320178191252 | epot = -13.4535841332244 | etot = -5.62847193318225 -602000 ekin = 3.46937521141073 | erot = 4.3129515273547 | epot = -13.4107986715144 | etot = -5.62847193274896 -603000 ekin = 3.40882221235898 | erot = 4.29270411923729 | epot = -13.3299982638779 | etot = -5.62847193228164 -604000 ekin = 3.33194570976897 | erot = 4.25705245858959 | epot = -13.2174701001796 | etot = -5.62847193182099 -605000 ekin = 3.24062643782743 | erot = 4.21052248032723 | epot = -13.0796208495416 | etot = -5.62847193138697 -606000 ekin = 3.13683319321467 | erot = 4.15735875790752 | epot = -12.9226638821055 | etot = -5.62847193098336 -607000 ekin = 3.02259481106295 | erot = 4.10146703767137 | epot = -12.752533779339 | etot = -5.62847193060464 -608000 ekin = 2.90001652257939 | erot = 4.04645475151246 | epot = -12.5749432043324 | etot = -5.62847193024057 -609000 ekin = 2.77131728806686 | erot = 3.9957146077566 | epot = -12.3955038257043 | etot = -5.62847192988082 -610000 ekin = 2.63886938889611 | erot = 3.95250622986135 | epot = -12.2198475482764 | etot = -5.62847192951889 -611000 ekin = 2.50524882249988 | erot = 3.92003293773325 | epot = -12.0537536890984 | etot = -5.62847192886525 -612000 ekin = 2.37382087281222 | erot = 3.90218869849447 | epot = -11.9044814998431 | etot = -5.62847192853644 -613000 ekin = 2.24769613362685 | erot = 3.9018678874526 | epot = -11.7780359493068 | etot = -5.62847192822737 -614000 ekin = 2.12975142862109 | erot = 3.92103062110346 | epot = -11.6792539777051 | etot = -5.62847192798058 -615000 ekin = 2.02283676462475 | erot = 3.96080056824183 | epot = -11.6121092606972 | etot = -5.62847192783064 -616000 ekin = 1.92967019041608 | erot = 4.02099162179926 | epot = -11.5791337400261 | etot = -5.6284719278108 -617000 ekin = 1.8527379185552 | erot = 4.09974474400672 | epot = -11.5809545905121 | etot = -5.62847192795013 -618000 ekin = 1.79420296287865 | erot = 4.19322703619206 | epot = -11.6159019273328 | etot = -5.62847192826212 -619000 ekin = 1.75583197419788 | erot = 4.29552606644023 | epot = -11.6798299693697 | etot = -5.62847192873157 -620000 ekin = 1.7389587008847 | erot = 4.39891672372568 | epot = -11.7663473539151 | etot = -5.62847192930469 -621000 ekin = 1.74449834705323 | erot = 4.4946225066521 | epot = -11.8675927835954 | etot = -5.6284719298901 -622000 ekin = 1.77300875716063 | erot = 4.57403518093684 | epot = -11.9755158684793 | etot = -5.6284719303818 -623000 ekin = 1.82476626654578 | erot = 4.63011744400213 | epot = -12.0833556412428 | etot = -5.62847193069493 -624000 ekin = 1.89980556084052 | erot = 4.65854151401777 | epot = -12.1868190056567 | etot = -5.62847193079843 -625000 ekin = 1.99788930994803 | erot = 4.65817060172211 | epot = -12.2845318423909 | etot = -5.62847193072074 -626000 ekin = 2.11841938994316 | erot = 4.63077870097587 | epot = -12.3776700214476 | etot = -5.62847193052855 -627000 ekin = 2.26034340485921 | erot = 4.58024268402232 | epot = -12.4690580191734 | etot = -5.62847193029191 -628000 ekin = 2.42211143967629 | erot = 4.51161612058694 | epot = -12.5621994903281 | etot = -5.62847193006486 -629000 ekin = 2.60047669396776 | erot = 4.43316974513653 | epot = -12.6621183685087 | etot = -5.62847192940437 -630000 ekin = 2.75035748986435 | erot = 4.31003905752691 | epot = -12.6888685130984 | etot = -5.62847196570711 -631000 ekin = 2.81471524126653 | erot = 4.11774535993883 | epot = -12.560932536969 | etot = -5.62847193576361 -632000 ekin = 2.95867552202343 | erot = 4.07926707210706 | epot = -12.6664145270012 | etot = -5.62847193287073 -633000 ekin = 3.21010693580782 | erot = 4.20581326824112 | epot = -13.0443921661263 | etot = -5.62847196207735 -634000 ekin = 3.41641131485967 | erot = 4.25928215932152 | epot = -13.3041654105523 | etot = -5.62847193637112 -635000 ekin = 3.57385274064017 | erot = 4.24018711604243 | epot = -13.4425117938242 | etot = -5.62847193714155 -636000 ekin = 3.71894531184374 | erot = 4.21896102707095 | epot = -13.5663782768924 | etot = -5.62847193797771 -637000 ekin = 3.84555962843745 | erot = 4.19009538997421 | epot = -13.664126957085 | etot = -5.62847193867337 -638000 ekin = 3.94874232724131 | erot = 4.14881281932144 | epot = -13.7260270856049 | etot = -5.62847193904211 -639000 ekin = 4.02564653205978 | erot = 4.09271382126824 | epot = -13.7468322923361 | etot = -5.62847193900805 -640000 ekin = 4.07582551376673 | erot = 4.02260436126851 | epot = -13.7269018136558 | etot = -5.62847193862055 -641000 ekin = 4.10019063777134 | erot = 3.94203419575025 | epot = -13.6706967719888 | etot = -5.62847193846719 -642000 ekin = 4.09923586008661 | erot = 3.85569636519573 | epot = -13.5834041631703 | etot = -5.62847193788798 -643000 ekin = 4.07616079994664 | erot = 3.76850329642401 | epot = -13.4731360337343 | etot = -5.62847193736366 -644000 ekin = 4.03483546321403 | erot = 3.68428538420007 | epot = -13.3475927843633 | etot = -5.6284719369492 -645000 ekin = 3.97939693549996 | erot = 3.60521279253874 | epot = -13.2130816646665 | etot = -5.62847193662782 -646000 ekin = 3.91424157408672 | erot = 3.5319774652156 | epot = -13.0746909756475 | etot = -5.6284719363452 -647000 ekin = 3.84412108368419 | erot = 3.46430751179901 | epot = -12.9369005316694 | etot = -5.62847193618623 -648000 ekin = 3.77442093462977 | erot = 3.40030625102239 | epot = -12.8031991215208 | etot = -5.6284719358686 -649000 ekin = 3.71064844414069 | erot = 3.33902116862802 | epot = -12.6781415483154 | etot = -5.62847193554669 -650000 ekin = 3.65777288971661 | erot = 3.28036981761337 | epot = -12.5666146426042 | etot = -5.6284719352742 -651000 ekin = 3.61962254759293 | erot = 3.22458240433025 | epot = -12.4726768870207 | etot = -5.62847193509757 -652000 ekin = 3.5983886698485 | erot = 3.17201593040843 | epot = -12.3988765352917 | etot = -5.62847193503482 -653000 ekin = 3.59447660059994 | erot = 3.12302902483937 | epot = -12.3459775605093 | etot = -5.62847193506997 -654000 ekin = 3.60674141918748 | erot = 3.07797678365425 | epot = -12.3131901380042 | etot = -5.62847193516246 -655000 ekin = 3.63298841308731 | erot = 3.03728497072474 | epot = -12.2987453190854 | etot = -5.62847193527339 -656000 ekin = 3.67052655523893 | erot = 3.00147990292547 | epot = -12.3004783935545 | etot = -5.62847193539005 -657000 ekin = 3.71734630697157 | erot = 2.97084073545016 | epot = -12.3166589778187 | etot = -5.62847193539701 -658000 ekin = 3.75778663153076 | erot = 2.94872940840489 | epot = -12.3349879987274 | etot = -5.62847195879179 -659000 ekin = 3.70128994146784 | erot = 2.99267200647991 | epot = -12.3224338836791 | etot = -5.62847193573132 -660000 ekin = 3.77980484663485 | erot = 3.0508167858632 | epot = -12.4590935965774 | etot = -5.62847196407936 -661000 ekin = 3.87674047114964 | erot = 3.02043722440496 | epot = -12.5256496409205 | etot = -5.62847194536593 -662000 ekin = 3.96189665296545 | erot = 2.97294510656965 | epot = -12.5633137058439 | etot = -5.62847194630885 -663000 ekin = 4.03233992108651 | erot = 2.90724728968627 | epot = -12.5680591571061 | etot = -5.6284719463333 -664000 ekin = 4.08703350774854 | erot = 2.82371074133269 | epot = -12.5392161948955 | etot = -5.62847194581425 -665000 ekin = 4.13016908270567 | erot = 2.72591755776349 | epot = -12.4845585855259 | etot = -5.62847194505672 -666000 ekin = 4.16485763690331 | erot = 2.62158318077271 | epot = -12.4149127617545 | etot = -5.62847194407844 -667000 ekin = 4.19388444231057 | erot = 2.52048046570678 | epot = -12.3428368513375 | etot = -5.62847194332015 -668000 ekin = 4.21970111362512 | erot = 2.4311756655168 | epot = -12.2793487219105 | etot = -5.6284719427686 -669000 ekin = 4.24419480060344 | erot = 2.35970998766334 | epot = -12.2323767306761 | etot = -5.62847194240935 -670000 ekin = 4.26650932837758 | erot = 2.31009212990318 | epot = -12.2050734005613 | etot = -5.62847194228056 -671000 ekin = 4.28028750577367 | erot = 2.2839406896226 | epot = -12.1927001376243 | etot = -5.62847194222801 -672000 ekin = 4.286049538111 | erot = 2.28087700956881 | epot = -12.1953984898719 | etot = -5.62847194219211 -673000 ekin = 4.28538320977093 | erot = 2.29981058125325 | epot = -12.2136657331723 | etot = -5.62847194214809 -674000 ekin = 4.28032637881323 | erot = 2.33931520005416 | epot = -12.2481135209748 | etot = -5.62847194210737 -675000 ekin = 4.27310613137932 | erot = 2.39770546345542 | epot = -12.2992835369528 | etot = -5.62847194211806 -676000 ekin = 4.26563141837423 | erot = 2.47283047867151 | epot = -12.3669338393238 | etot = -5.62847194227809 -677000 ekin = 4.25873601017197 | erot = 2.56159475147911 | epot = -12.4488027042873 | etot = -5.62847194263624 -678000 ekin = 4.25154383400404 | erot = 2.65951246674531 | epot = -12.5395282439923 | etot = -5.62847194324292 -679000 ekin = 4.24120573455929 | erot = 2.76057514763493 | epot = -12.6302528262372 | etot = -5.628471944043 -680000 ekin = 4.2232005117233 | erot = 2.8577068911792 | epot = -12.7093793477757 | etot = -5.62847194487315 -681000 ekin = 4.19242845444176 | erot = 2.94400272561177 | epot = -12.7649031255562 | etot = -5.62847194550269 -682000 ekin = 4.14477706331028 | erot = 3.01435956402087 | epot = -12.7876085730806 | etot = -5.62847194574946 -683000 ekin = 4.07850194573498 | erot = 3.0666968932365 | epot = -12.7736707845359 | etot = -5.6284719455644 -684000 ekin = 3.98766788576626 | erot = 3.0906277067226 | epot = -12.7067675428786 | etot = -5.62847195038972 -685000 ekin = 3.87609976025144 | erot = 3.0721311887794 | epot = -12.5767028927108 | etot = -5.62847194367995 -686000 ekin = 3.78865422783082 | erot = 3.05379982550292 | epot = -12.4709259956873 | etot = -5.62847194235354 -687000 ekin = 3.72885638113158 | erot = 3.05128310415992 | epot = -12.408611432526 | etot = -5.62847194723451 -688000 ekin = 3.65488085456385 | erot = 3.04382149782401 | epot = -12.3271742987313 | etot = -5.62847194634345 -689000 ekin = 3.57606770138192 | erot = 3.03834252514909 | epot = -12.2428821721681 | etot = -5.62847194563711 -690000 ekin = 3.51634425554767 | erot = 3.04775260803385 | epot = -12.1925688087058 | etot = -5.6284719451243 -691000 ekin = 3.47971445739509 | erot = 3.07622358483667 | epot = -12.1844099871023 | etot = -5.62847194487056 -692000 ekin = 3.46765181254146 | erot = 3.12642449719425 | epot = -12.2225482546729 | etot = -5.62847194493722 -693000 ekin = 3.47854301550202 | erot = 3.19918358098304 | epot = -12.3061985418229 | etot = -5.62847194533786 -694000 ekin = 3.50760869796604 | erot = 3.2934044104258 | epot = -12.4294850544069 | etot = -5.62847194601503 -695000 ekin = 3.54747029158324 | erot = 3.40637947899577 | epot = -12.5823217174297 | etot = -5.6284719468507 -696000 ekin = 3.58927155158232 | erot = 3.53441505478202 | epot = -12.7521585540714 | etot = -5.62847194770705 -697000 ekin = 3.62399868515567 | erot = 3.67347767287419 | epot = -12.9259483064922 | etot = -5.62847194846231 -698000 ekin = 3.64429609748856 | erot = 3.81929275579794 | epot = -13.0920608023944 | etot = -5.62847194910787 -699000 ekin = 3.64411727644142 | erot = 3.96826912274322 | epot = -13.2408583487081 | etot = -5.62847194952344 -700000 ekin = 3.61972386471004 | erot = 4.11779628901722 | epot = -13.3659921034179 | etot = -5.62847194969066 -701000 ekin = 3.57045543126867 | erot = 4.26605645111758 | epot = -13.4649838321254 | etot = -5.62847194973912 -702000 ekin = 3.49917622945371 | erot = 4.41037029489176 | epot = -13.5380184739597 | etot = -5.62847194961422 -703000 ekin = 3.41079978145369 | erot = 4.54773448473206 | epot = -13.5870062155679 | etot = -5.62847194938218 -704000 ekin = 3.31149657249576 | erot = 4.67560464085735 | epot = -13.6155731624397 | etot = -5.62847194908665 -705000 ekin = 3.2080790304337 | erot = 4.79162132887101 | epot = -13.6281723080898 | etot = -5.62847194878512 -706000 ekin = 3.10702043894422 | erot = 4.89365607505418 | epot = -13.629148462546 | etot = -5.62847194854759 -707000 ekin = 3.01353531409874 | erot = 4.97967086421267 | epot = -13.6216781267545 | etot = -5.62847194844312 -708000 ekin = 2.93091332946626 | erot = 5.04739802063624 | epot = -13.6067832986217 | etot = -5.62847194851923 -709000 ekin = 2.86026033876341 | erot = 5.09399325402639 | epot = -13.5827255415665 | etot = -5.62847194877667 -710000 ekin = 2.80069789539212 | erot = 5.11589857306006 | epot = -13.5450684176139 | etot = -5.62847194916176 -711000 ekin = 2.74994326406642 | erot = 5.10911210243646 | epot = -13.4875273160742 | etot = -5.62847194957137 -712000 ekin = 2.70509857027021 | erot = 5.06990681770748 | epot = -13.4034773378593 | etot = -5.62847194988164 -713000 ekin = 2.66343594243819 | erot = 4.99582282608673 | epot = -13.2877307185112 | etot = -5.62847194998628 -714000 ekin = 2.62297982870224 | erot = 4.88658411853972 | epot = -13.1380358970775 | etot = -5.62847194983555 -715000 ekin = 2.58275404764254 | erot = 4.74456650550822 | epot = -12.9557925026026 | etot = -5.6284719494518 -716000 ekin = 2.54267933985284 | erot = 4.57461726508771 | epot = -12.7457685538544 | etot = -5.62847194891384 -717000 ekin = 2.50334692022862 | erot = 4.38348005498769 | epot = -12.5152989232176 | etot = -5.6284719480013 -718000 ekin = 2.46867182055041 | erot = 4.1828061934235 | epot = -12.2799499617185 | etot = -5.62847194774463 -719000 ekin = 2.44027484666831 | erot = 3.97913844322971 | epot = -12.0478852373921 | etot = -5.62847194749405 -720000 ekin = 2.41790751034177 | erot = 3.77617089343529 | epot = -11.8225503510303 | etot = -5.62847194725326 -721000 ekin = 2.40130900325092 | erot = 3.57751641410833 | epot = -11.6072973643847 | etot = -5.62847194702549 -722000 ekin = 2.39001969443857 | erot = 3.38620933378187 | epot = -11.404700975239 | etot = -5.62847194701852 -723000 ekin = 2.38288808218479 | erot = 3.20447847633104 | epot = -11.215838505237 | etot = -5.62847194672118 -724000 ekin = 2.38038137258082 | erot = 3.03585463115629 | epot = -11.0447079501875 | etot = -5.62847194645035 -725000 ekin = 2.38334904384078 | erot = 2.88343528894459 | epot = -10.8952562789953 | etot = -5.62847194620992 -726000 ekin = 2.3927798881752 | erot = 2.74974572539751 | epot = -10.7709975595779 | etot = -5.62847194600517 -727000 ekin = 2.40968215741221 | erot = 2.63676770312337 | epot = -10.6749218063778 | etot = -5.62847194584219 -728000 ekin = 2.42515137987946 | erot = 2.54412147902473 | epot = -10.597744818259 | etot = -5.6284719593548 -729000 ekin = 2.40297855337031 | erot = 2.51475999965194 | epot = -10.5462104924533 | etot = -5.62847193943108 -730000 ekin = 2.46310039286674 | erot = 2.540888382744 | epot = -10.6324607145899 | etot = -5.62847193897912 -731000 ekin = 2.53308642098023 | erot = 2.54954386950276 | epot = -10.711102229553 | etot = -5.62847193907001 -732000 ekin = 2.61398262095739 | erot = 2.5802487460936 | epot = -10.8227033063293 | etot = -5.62847193927826 -733000 ekin = 2.70404858449563 | erot = 2.63167940205859 | epot = -10.9641999262015 | etot = -5.62847193964733 -734000 ekin = 2.80051950070181 | erot = 2.70132929850524 | epot = -11.1303207394307 | etot = -5.62847194022367 -735000 ekin = 2.89941283720295 | erot = 2.78510796773607 | epot = -11.3129927459757 | etot = -5.62847194103669 -736000 ekin = 2.99560133060437 | erot = 2.87741009026776 | epot = -11.5014833619701 | etot = -5.62847194109798 -737000 ekin = 3.08481605483226 | erot = 2.9752448937055 | epot = -11.6885328905221 | etot = -5.62847194198435 -738000 ekin = 3.16217862814496 | erot = 3.07317374879029 | epot = -11.8638243197375 | etot = -5.62847194280226 -739000 ekin = 3.22336037210457 | erot = 3.16493875129292 | epot = -12.0167710667472 | etot = -5.62847194334973 -740000 ekin = 3.26585131612671 | erot = 3.2452213963337 | epot = -12.1395446568933 | etot = -5.62847194443293 -741000 ekin = 3.28375382494221 | erot = 3.29991441181407 | epot = -12.212140181187 | etot = -5.62847194443076 -742000 ekin = 3.27631313134865 | erot = 3.32408611699032 | epot = -12.2288711922813 | etot = -5.62847194394237 -743000 ekin = 3.24737724788096 | erot = 3.32046927259928 | epot = -12.1963184636816 | etot = -5.6284719432014 -744000 ekin = 3.20210603596794 | erot = 3.29401551174191 | epot = -12.1245934901295 | etot = -5.62847194241966 -745000 ekin = 3.14567705880421 | erot = 3.25033566996093 | epot = -12.0244846704798 | etot = -5.62847194171465 -746000 ekin = 3.08279906264057 | erot = 3.19521988680648 | epot = -11.9064908903141 | etot = -5.62847194086707 -747000 ekin = 3.01768881726563 | erot = 3.13473855306841 | epot = -11.7808993107186 | etot = -5.62847194038452 -748000 ekin = 2.95302867419745 | erot = 3.07321432138934 | epot = -11.6547149355341 | etot = -5.62847193994729 -749000 ekin = 2.89104396122167 | erot = 3.01469856693791 | epot = -11.5342144676923 | etot = -5.6284719395327 -750000 ekin = 2.83379417408033 | erot = 2.96315742645669 | epot = -11.4254235396726 | etot = -5.62847193913556 -751000 ekin = 2.78329891260719 | erot = 2.92241777446644 | epot = -11.3341886258388 | etot = -5.62847193876517 -752000 ekin = 2.74156846297845 | erot = 2.89600799316408 | epot = -11.2660483945816 | etot = -5.62847193843909 -753000 ekin = 2.71056677611893 | erot = 2.8869375344884 | epot = -11.2259762487886 | etot = -5.62847193818127 -754000 ekin = 2.69212502636381 | erot = 2.89743125955444 | epot = -11.2180282239416 | etot = -5.62847193802339 -755000 ekin = 2.68776538341817 | erot = 2.92849871098632 | epot = -11.2447360324805 | etot = -5.62847193807603 -756000 ekin = 2.69845743016129 | erot = 2.97938409373429 | epot = -11.3063134621321 | etot = -5.62847193823654 -757000 ekin = 2.72458496399214 | erot = 3.04788425636374 | epot = -11.4009411589946 | etot = -5.62847193863874 -758000 ekin = 2.76540921269775 | erot = 3.12962823295245 | epot = -11.5235093849696 | etot = -5.62847193931939 -759000 ekin = 2.81868342054339 | erot = 3.21794575406346 | epot = -11.6651011148695 | etot = -5.62847194026269 -760000 ekin = 2.88053746471945 | erot = 3.30429272409835 | epot = -11.8133021301665 | etot = -5.62847194134869 -761000 ekin = 2.94600007669967 | erot = 3.37947250557982 | epot = -11.9539445246072 | etot = -5.62847194232772 -762000 ekin = 3.0103728108363 | erot = 3.43568700379387 | epot = -12.0745317575224 | etot = -5.62847194289219 -763000 ekin = 3.07103775537587 | erot = 3.46881600078167 | epot = -12.1683256990032 | etot = -5.62847194284569 -764000 ekin = 3.12866395084712 | erot = 3.47975039697106 | epot = -12.2368862900568 | etot = -5.62847194223863 -765000 ekin = 3.18696433138653 | erot = 3.47390232159169 | epot = -12.2893385943131 | etot = -5.62847194133492 -766000 ekin = 3.25112146468525 | erot = 3.45917589069875 | epot = -12.3387692958358 | etot = -5.62847194045182 -767000 ekin = 3.32577328220466 | erot = 3.44357056015004 | epot = -12.3978157821775 | etot = -5.62847193982283 -768000 ekin = 3.41341833396391 | erot = 3.4334263493615 | epot = -12.4753166228815 | etot = -5.62847193955611 -769000 ekin = 3.51361597959336 | erot = 3.4325883769163 | epot = -12.5746762961707 | etot = -5.62847193966108 -770000 ekin = 3.62296220613534 | erot = 3.44225950920416 | epot = -12.6936936554243 | etot = -5.62847194008485 -771000 ekin = 3.67754209930849 | erot = 3.42051682729324 | epot = -12.726530894413 | etot = -5.62847196781123 -772000 ekin = 3.59351734139873 | erot = 3.35849685484742 | epot = -12.5804861297902 | etot = -5.62847193354401 -773000 ekin = 3.58504863458809 | erot = 3.48413941856385 | epot = -12.697659986425 | etot = -5.62847193327303 -774000 ekin = 3.69556246641496 | erot = 3.75600381486114 | epot = -13.080038250078 | etot = -5.62847196880192 -775000 ekin = 3.75799646991679 | erot = 3.873956410094 | epot = -13.2604248525586 | etot = -5.62847197254785 -776000 ekin = 3.76514931008122 | erot = 3.89275295614278 | epot = -13.2863742389445 | etot = -5.62847197272045 -777000 ekin = 3.74852837933054 | erot = 3.88975944407747 | epot = -13.2667597957584 | etot = -5.62847197235036 -778000 ekin = 3.71300754015998 | erot = 3.86527182207406 | epot = -13.2067513338695 | etot = -5.62847197163544 -779000 ekin = 3.66665793069796 | erot = 3.82295167580669 | epot = -13.1180815770381 | etot = -5.62847197053349 -780000 ekin = 3.61972773138243 | erot = 3.76957330528294 | epot = -13.0177730059552 | etot = -5.62847196928983 -781000 ekin = 3.5827624251825 | erot = 3.71368279717706 | epot = -12.9249171905627 | etot = -5.62847196820313 -782000 ekin = 3.56434384280159 | erot = 3.66344621657883 | epot = -12.8562620268944 | etot = -5.62847196751401 -783000 ekin = 3.56907083370159 | erot = 3.62459601403967 | epot = -12.8221388151988 | etot = -5.62847196745757 -784000 ekin = 3.59655578166301 | erot = 3.59908724292537 | epot = -12.8241149924018 | etot = -5.62847196781346 -785000 ekin = 3.64263842869095 | erot = 3.58559579705149 | epot = -12.856706194237 | etot = -5.62847196849456 -786000 ekin = 3.70061363552459 | erot = 3.58032714317056 | epot = -12.9094127479833 | etot = -5.6284719692882 -787000 ekin = 3.76290289511577 | erot = 3.57827846514429 | epot = -12.9696533303101 | etot = -5.62847197005003 -788000 ekin = 3.82230691224393 | erot = 3.57432079357667 | epot = -13.0250996764978 | etot = -5.62847197067724 -789000 ekin = 3.87288355980582 | erot = 3.5640275053608 | epot = -13.0653830362756 | etot = -5.62847197110898 -790000 ekin = 3.91054381090259 | erot = 3.54422213355097 | epot = -13.0832379157242 | etot = -5.62847197127067 -791000 ekin = 3.93344679963981 | erot = 3.513339825829 | epot = -13.0752585966554 | etot = -5.62847197118663 -792000 ekin = 3.94193166957115 | erot = 3.47142235482322 | epot = -13.041825995302 | etot = -5.62847197090762 -793000 ekin = 3.93805337440561 | erot = 3.41982689850894 | epot = -12.9863522434218 | etot = -5.62847197050723 -794000 ekin = 3.92496167477878 | erot = 3.360819734858 | epot = -12.9142533796931 | etot = -5.62847197005634 -795000 ekin = 3.90631843175017 | erot = 3.29713731842303 | epot = -12.8319277197836 | etot = -5.62847196961038 -796000 ekin = 3.8858792006581 | erot = 3.23158100820237 | epot = -12.7459321780665 | etot = -5.62847196920608 -797000 ekin = 3.86724402797514 | erot = 3.16668037667839 | epot = -12.6623963735179 | etot = -5.62847196886439 -798000 ekin = 3.85371944428472 | erot = 3.10446220748905 | epot = -12.5866536203663 | etot = -5.62847196859256 -799000 ekin = 3.84821326100227 | erot = 3.04637406900957 | epot = -12.5230592984002 | etot = -5.62847196838834 -800000 ekin = 3.85308746091494 | erot = 2.99338091162984 | epot = -12.4749403407895 | etot = -5.62847196824468 -801000 ekin = 3.86994742093311 | erot = 2.94620265096875 | epot = -12.4446220400576 | etot = -5.62847196815571 -802000 ekin = 3.89938743532043 | erot = 2.90559564258017 | epot = -12.4334550460216 | etot = -5.62847196812102 -803000 ekin = 3.94077451962402 | erot = 2.87255363202934 | epot = -12.441800119797 | etot = -5.62847196814361 -804000 ekin = 3.99217445526748 | erot = 2.84833794194511 | epot = -12.468984365439 | etot = -5.62847196822644 -805000 ekin = 4.05048829014821 | erot = 2.83432176495251 | epot = -12.5132820234689 | etot = -5.62847196836816 -806000 ekin = 4.11178329744327 | erot = 2.83170980380164 | epot = -12.5719650698088 | etot = -5.62847196856388 -807000 ekin = 4.17172086389146 | erot = 2.84122318486818 | epot = -12.6414160175669 | etot = -5.62847196880729 -808000 ekin = 4.22595471218244 | erot = 2.86283161315583 | epot = -12.7172582944323 | etot = -5.62847196909407 -809000 ekin = 4.27041103463199 | erot = 2.89559061447317 | epot = -12.7944736185239 | etot = -5.62847196941877 -810000 ekin = 4.30143579161472 | erot = 2.93761851724059 | epot = -12.867526278626 | etot = -5.62847196977065 -811000 ekin = 4.3158591249341 | erot = 2.98622782440343 | epot = -12.9305589194658 | etot = -5.62847197012825 -812000 ekin = 4.31104963132775 | erot = 3.03819974796596 | epot = -12.9777213497531 | etot = -5.62847197045938 -813000 ekin = 4.28501152851198 | erot = 3.09015837137455 | epot = -13.0036418706117 | etot = -5.62847197072517 -814000 ekin = 4.23653530241262 | erot = 3.13897206786273 | epot = -13.0039793411637 | etot = -5.6284719708883 -815000 ekin = 4.16537042744585 | erot = 3.18209773892999 | epot = -12.9759401372993 | etot = -5.62847197092346 -816000 ekin = 4.07236517437489 | erot = 3.21779646457061 | epot = -12.9186336097681 | etot = -5.62847197082257 -817000 ekin = 3.95951977387102 | erot = 3.24518380299012 | epot = -12.833175547459 | etot = -5.62847197059791 -818000 ekin = 3.82991762625571 | erot = 3.26412066899673 | epot = -12.7225102655335 | etot = -5.62847197028107 -819000 ekin = 3.68753356640539 | erot = 3.2749890292221 | epot = -12.5909945655321 | etot = -5.62847196990462 -820000 ekin = 3.53699106710322 | erot = 3.27842149097166 | epot = -12.4438845275865 | etot = -5.62847196951165 -821000 ekin = 3.38323613781718 | erot = 3.27505502165856 | epot = -12.2867631286099 | etot = -5.62847196913417 -822000 ekin = 3.23123737368411 | erot = 3.26537695348515 | epot = -12.1250862959605 | etot = -5.62847196879128 -823000 ekin = 3.08574116225304 | erot = 3.24970236655088 | epot = -11.9639154972909 | etot = -5.62847196848693 -824000 ekin = 2.9510991981331 | erot = 3.22828590254736 | epot = -11.8078570688933 | etot = -5.62847196821286 -825000 ekin = 2.83117167279191 | erot = 3.20152981062071 | epot = -11.6611734513667 | etot = -5.62847196795409 -826000 ekin = 2.72929448938322 | erot = 3.170212329904 | epot = -11.527978786985 | etot = -5.62847196769779 -827000 ekin = 2.64828540333971 | erot = 3.13564460905767 | epot = -11.4124019798381 | etot = -5.62847196744072 -828000 ekin = 2.59045268753837 | erot = 3.09968027827888 | epot = -11.3186049330108 | etot = -5.62847196719354 -829000 ekin = 2.5575674899745 | erot = 3.06454891988821 | epot = -11.2505883768447 | etot = -5.62847196698198 -830000 ekin = 2.55077388401548 | erot = 3.03254604807767 | epot = -11.2117918989325 | etot = -5.6284719668394 -831000 ekin = 2.57043726066164 | erot = 3.00566097392708 | epot = -11.2045702013875 | etot = -5.62847196679876 -832000 ekin = 2.61596871115982 | erot = 2.98524787868899 | epot = -11.2296885567312 | etot = -5.62847196688238 -833000 ekin = 2.68568117843713 | erot = 2.97182255605824 | epot = -11.2859757015904 | etot = -5.62847196709497 -834000 ekin = 2.77673678117253 | erot = 2.96502424236813 | epot = -11.370232990964 | etot = -5.62847196742337 -835000 ekin = 2.885220643029 | erot = 2.96372965115359 | epot = -11.4774222620224 | etot = -5.62847196783982 -836000 ekin = 3.00633984593918 | erot = 2.96626860460898 | epot = -11.6010804188574 | etot = -5.62847196830924 -837000 ekin = 3.13471078930649 | erot = 2.97067133176137 | epot = -11.7338540898654 | etot = -5.62847196879752 -838000 ekin = 3.26467977039692 | erot = 2.97489019017183 | epot = -11.868041929845 | etot = -5.62847196927627 -839000 ekin = 3.39062362172885 | erot = 2.97696578821289 | epot = -11.9960613796666 | etot = -5.62847196972483 -840000 ekin = 3.50719614226998 | erot = 2.9751377340059 | epot = -12.1108058464052 | etot = -5.6284719701293 -841000 ekin = 3.60951430438935 | erot = 2.96792302585542 | epot = -12.2059093007227 | etot = -5.62847197047788 -842000 ekin = 3.69330308375243 | erot = 2.95419217424765 | epot = -12.2759672287577 | etot = -5.62847197075763 -843000 ekin = 3.75502928062943 | erot = 2.93326272933342 | epot = -12.3167639809143 | etot = -5.62847197095144 -844000 ekin = 3.79205095751741 | erot = 2.905010032425 | epot = -12.3255329609822 | etot = -5.62847197103983 -845000 ekin = 3.8027882697654 | erot = 2.86997708288216 | epot = -12.3012373236517 | etot = -5.62847197100412 -846000 ekin = 3.78689078356818 | erot = 2.82944607124618 | epot = -12.2448088256482 | etot = -5.62847197083381 -847000 ekin = 3.7453492374313 | erot = 2.78543387885269 | epot = -12.1592550868164 | etot = -5.62847197053239 -848000 ekin = 3.68048960895024 | erot = 2.74058491120546 | epot = -12.0495464902778 | etot = -5.62847197012212 -849000 ekin = 3.59580402257809 | erot = 2.69795473374334 | epot = -11.9222307259669 | etot = -5.62847196964545 -850000 ekin = 3.49561210988706 | erot = 2.6606982620177 | epot = -11.7847823410607 | etot = -5.62847196915597 -851000 ekin = 3.38460421144088 | erot = 2.63169878902263 | epot = -11.6447749691747 | etot = -5.62847196871119 -852000 ekin = 3.26735834597144 | erot = 2.61319105400609 | epot = -11.5090213683379 | etot = -5.62847196836037 -853000 ekin = 3.14792970794091 | erot = 2.60644045891664 | epot = -11.3828421349899 | etot = -5.62847196813238 -854000 ekin = 3.02961721450397 | erot = 2.61155167654438 | epot = -11.2696408590751 | etot = -5.62847196802677 -855000 ekin = 2.91497870603335 | erot = 2.62749311856603 | epot = -11.1709437926219 | etot = -5.62847196802253 -856000 ekin = 2.80592683601258 | erot = 2.65229723485518 | epot = -11.0866960389482 | etot = -5.62847196808045 -857000 ekin = 2.70394323064281 | erot = 2.68342637105178 | epot = -11.0158415698526 | etot = -5.62847196815805 -858000 ekin = 2.6102808497471 | erot = 2.71820874437837 | epot = -10.9569615623474 | etot = -5.62847196822195 -859000 ekin = 2.52608469636932 | erot = 2.75423459858654 | epot = -10.9087912632103 | etot = -5.62847196825448 -860000 ekin = 2.45241725286413 | erot = 2.78962480120777 | epot = -10.8705140223255 | etot = -5.62847196825358 -861000 ekin = 2.39021948270796 | erot = 2.8231315035024 | epot = -10.8418229544392 | etot = -5.62847196822881 -862000 ekin = 2.34025129495234 | erot = 2.85407946396319 | epot = -10.8228027271118 | etot = -5.62847196819627 -863000 ekin = 2.30304188782341 | erot = 2.88219277654192 | epot = -10.8137066325389 | etot = -5.62847196817353 -864000 ekin = 2.27886006016584 | erot = 2.90737073895635 | epot = -10.8147027672985 | etot = -5.6284719681763 -865000 ekin = 2.26770197186021 | erot = 2.9294767749707 | epot = -10.8256507150445 | etot = -5.62847196821362 -866000 ekin = 2.26929189238761 | erot = 2.94819404266293 | epot = -10.8459579033382 | etot = -5.6284719682877 -867000 ekin = 2.28309242165747 | erot = 2.9629808932943 | epot = -10.8745452833439 | etot = -5.62847196839215 -868000 ekin = 2.30832281649049 | erot = 2.97313399109876 | epot = -10.9099287761031 | etot = -5.62847196851388 -869000 ekin = 2.34398135102351 | erot = 2.97793980541721 | epot = -10.9503931250775 | etot = -5.62847196863683 -870000 ekin = 2.38886744688628 | erot = 2.97686809818554 | epot = -10.9942075138189 | etot = -5.62847196874705 -871000 ekin = 2.44159861726723 | erot = 2.96974175415068 | epot = -11.0398123402555 | etot = -5.62847196883764 -872000 ekin = 2.5006196151775 | erot = 2.95681803681079 | epot = -11.0859096208989 | etot = -5.62847196891058 -873000 ekin = 2.56420808047572 | erot = 2.93874614045633 | epot = -11.131426189908 | etot = -5.62847196897592 -874000 ekin = 2.63049126930056 | erot = 2.91641905767842 | epot = -11.1753822960225 | etot = -5.62847196904347 -875000 ekin = 2.69749664352447 | erot = 2.89079068995882 | epot = -11.2167593025987 | etot = -5.62847196911544 -876000 ekin = 2.7632574078238 | erot = 2.86275138557266 | epot = -11.2544807625772 | etot = -5.62847196918073 -877000 ekin = 2.82597856972948 | erot = 2.83312911621945 | epot = -11.2875796551638 | etot = -5.62847196921485 -878000 ekin = 2.88426505940501 | erot = 2.80282960039437 | epot = -11.3155666289385 | etot = -5.62847196913916 -879000 ekin = 2.93899285403075 | erot = 2.77402557708719 | epot = -11.341490400032 | etot = -5.62847196891407 -880000 ekin = 2.99074429392039 | erot = 2.74904466360361 | epot = -11.3682609264686 | etot = -5.62847196894464 -881000 ekin = 3.03734868878526 | erot = 2.72816458054467 | epot = -11.3939852381131 | etot = -5.62847196878313 -882000 ekin = 3.07935286228137 | erot = 2.71303253487197 | epot = -11.4208573657697 | etot = -5.62847196861634 -883000 ekin = 3.11756796983936 | erot = 2.70517731822857 | epot = -11.4512172565507 | etot = -5.62847196848273 -884000 ekin = 3.15280252747556 | erot = 2.70569769589384 | epot = -11.4869721917774 | etot = -5.62847196840798 -885000 ekin = 3.1857161310425 | erot = 2.71504911530919 | epot = -11.5292372147568 | etot = -5.6284719684051 -886000 ekin = 3.21676773286079 | erot = 2.73290580052215 | epot = -11.5781455018622 | etot = -5.62847196847926 -887000 ekin = 3.24623562321836 | erot = 2.75806669093292 | epot = -11.6327742827852 | etot = -5.62847196863393 -888000 ekin = 3.27425941908945 | erot = 2.78837179663876 | epot = -11.6911031846009 | etot = -5.62847196887267 -889000 ekin = 3.30086478782363 | erot = 2.82064068483657 | epot = -11.7499774418536 | etot = -5.62847196919337 -890000 ekin = 3.32596924764569 | erot = 2.85071439963934 | epot = -11.8051556168602 | etot = -5.62847196957518 -891000 ekin = 3.34941253130769 | erot = 2.87373382370284 | epot = -11.8516183249749 | etot = -5.62847196996437 -892000 ekin = 3.37107523452355 | erot = 2.88476437059098 | epot = -11.8843115753886 | etot = -5.62847197027407 -893000 ekin = 3.39111184994124 | erot = 2.87974242684367 | epot = -11.8993262471909 | etot = -5.62847197040598 -894000 ekin = 3.41023212803652 | erot = 2.8565082945549 | epot = -11.8952123928825 | etot = -5.62847197029109 -895000 ekin = 3.42987730750782 | erot = 2.81553499448249 | epot = -11.8738842719177 | etot = -5.62847196992743 -896000 ekin = 3.45214148852512 | erot = 2.76001213104415 | epot = -11.8406255889559 | etot = -5.6284719693866 -897000 ekin = 3.47941735485478 | erot = 2.69521466357856 | epot = -11.8031039872188 | etot = -5.6284719687855 -898000 ekin = 3.51352961908184 | erot = 2.62737086720505 | epot = -11.7693724676977 | etot = -5.62847198141077 -899000 ekin = 3.48893911266076 | erot = 2.56291214053403 | epot = -11.680323222652 | etot = -5.62847196945724 -900000 ekin = 3.45535689186671 | erot = 2.55015985141027 | epot = -11.6339887056296 | etot = -5.62847196235264 -901000 ekin = 3.50186288044185 | erot = 2.58894159232131 | epot = -11.719276448543 | etot = -5.62847197577986 -902000 ekin = 3.56610213518761 | erot = 2.58196928593651 | epot = -11.7765433936784 | etot = -5.62847197255431 -903000 ekin = 3.62814875800469 | erot = 2.56232070296314 | epot = -11.8189414338963 | etot = -5.62847197292843 -904000 ekin = 3.69112394778049 | erot = 2.55247638362847 | epot = -11.8720723048244 | etot = -5.62847197341544 -905000 ekin = 3.75091280599787 | erot = 2.54985569625826 | epot = -11.9292404761802 | etot = -5.62847197392409 -906000 ekin = 3.80322506898643 | erot = 2.5519127236511 | epot = -11.9836097669886 | etot = -5.62847197435104 -907000 ekin = 3.84434229252392 | erot = 2.55683360398672 | epot = -12.0296478711203 | etot = -5.62847197460963 -908000 ekin = 3.87190064700258 | erot = 2.56394104631182 | epot = -12.0643136679727 | etot = -5.62847197465829 -909000 ekin = 3.88547927917161 | erot = 2.57365301016132 | epot = -12.0876042638463 | etot = -5.62847197451341 -910000 ekin = 3.88680451543638 | erot = 2.58702435581385 | epot = -12.1023008454879 | etot = -5.62847197423765 -911000 ekin = 3.87951720900323 | erot = 2.60508796153765 | epot = -12.1130771444529 | etot = -5.62847197391203 -912000 ekin = 3.86859234285051 | erot = 2.6282770120564 | epot = -12.1253413285184 | etot = -5.62847197361153 -913000 ekin = 3.85955913842215 | erot = 2.6561223476136 | epot = -12.1441534594285 | etot = -5.62847197339272 -914000 ekin = 3.85765974763148 | erot = 2.68725904601826 | epot = -12.1733907663377 | etot = -5.62847197268799 -915000 ekin = 3.86988559311568 | erot = 2.7215549575076 | epot = -12.2199125234873 | etot = -5.62847197286399 -916000 ekin = 3.89721211337583 | erot = 2.75899199497945 | epot = -12.2846760816252 | etot = -5.62847197326989 -917000 ekin = 3.93597306382139 | erot = 2.79756616351325 | epot = -12.3620112010443 | etot = -5.62847197370963 -918000 ekin = 3.98211349575359 | erot = 2.83523643597917 | epot = -12.4458219058878 | etot = -5.62847197415502 -919000 ekin = 4.0310988413113 | erot = 2.86939982884348 | epot = -12.5289706457395 | etot = -5.62847197558473 -920000 ekin = 4.07575006630221 | erot = 2.8920345905181 | epot = -12.5962566327231 | etot = -5.62847197590279 -921000 ekin = 4.11121319932131 | erot = 2.89963705731785 | epot = -12.6393222332815 | etot = -5.6284719766423 -922000 ekin = 4.12946328880359 | erot = 2.89101491261155 | epot = -12.6489501783288 | etot = -5.62847197691366 -923000 ekin = 4.12574551399895 | erot = 2.86656720034022 | epot = -12.6207846912381 | etot = -5.62847197689889 -924000 ekin = 4.09806255499934 | erot = 2.82817436998195 | epot = -12.5547089016171 | etot = -5.62847197663584 -925000 ekin = 4.04683812907195 | erot = 2.77889166113215 | epot = -12.4542017664276 | etot = -5.62847197622352 -926000 ekin = 3.9741598071628 | erot = 2.72240485625824 | epot = -12.3250366391895 | etot = -5.62847197576843 -927000 ekin = 3.88290109531157 | erot = 2.66247239581552 | epot = -12.1738454664594 | etot = -5.62847197533235 -928000 ekin = 3.77619172587496 | erot = 2.60258197321272 | epot = -12.007245674 | etot = -5.62847197491228 -929000 ekin = 3.65741733995828 | erot = 2.54590496396654 | epot = -11.8317942783889 | etot = -5.62847197446407 -930000 ekin = 3.53056331476223 | erot = 2.49545263583675 | epot = -11.6544879245446 | etot = -5.62847197394562 -931000 ekin = 3.40054526036958 | erot = 2.454292850088 | epot = -11.4833100834926 | etot = -5.62847197303497 -932000 ekin = 3.27351307449314 | erot = 2.42812143003077 | epot = -11.3301064771605 | etot = -5.62847197263661 -933000 ekin = 3.15479412952287 | erot = 2.42017428897891 | epot = -11.2034403907363 | etot = -5.6284719722345 -934000 ekin = 3.04934557327986 | erot = 2.43124949901271 | epot = -11.1090670441748 | etot = -5.6284719718822 -935000 ekin = 2.96178382811955 | erot = 2.46165171647534 | epot = -11.0519075162191 | etot = -5.6284719716242 -936000 ekin = 2.89581269435064 | erot = 2.51113391226312 | epot = -11.0354185780997 | etot = -5.62847197148598 -937000 ekin = 2.85385879521477 | erot = 2.5788978601731 | epot = -11.0612286268601 | etot = -5.62847197147222 -938000 ekin = 2.83694342968555 | erot = 2.66364816084931 | epot = -11.1290635621066 | etot = -5.62847197157179 -939000 ekin = 2.8447669618157 | erot = 2.76369076548276 | epot = -11.2369296990579 | etot = -5.6284719717594 -940000 ekin = 2.87595320398489 | erot = 2.87707537672681 | epot = -11.3815005527126 | etot = -5.62847197200085 -941000 ekin = 2.92838858062242 | erot = 3.00178159504245 | epot = -11.5586421479226 | etot = -5.62847197225776 -942000 ekin = 2.99958691393785 | erot = 3.13593595264418 | epot = -11.763994839077 | etot = -5.62847197249495 -943000 ekin = 3.08701485998667 | erot = 3.27802583837004 | epot = -11.9935126710428 | etot = -5.62847197268611 -944000 ekin = 3.18658687127494 | erot = 3.42629435546356 | epot = -12.2413532006333 | etot = -5.62847197389484 -945000 ekin = 3.29120912096008 | erot = 3.57701253266348 | epot = -12.4966936280386 | etot = -5.62847197441502 -946000 ekin = 3.39621217387283 | erot = 3.72637389250492 | epot = -12.7510580413859 | etot = -5.62847197500814 -947000 ekin = 3.49687303106183 | erot = 3.86977321079429 | epot = -12.9951182175547 | etot = -5.62847197569856 -948000 ekin = 3.5882721126636 | erot = 4.00151346862098 | epot = -13.2182575577724 | etot = -5.62847197648783 -949000 ekin = 3.6653664552767 | erot = 4.11475106154221 | epot = -13.4085894941589 | etot = -5.62847197733996 -950000 ekin = 3.72323942060722 | erot = 4.20180191857631 | epot = -13.5535133173567 | etot = -5.62847197817321 -951000 ekin = 3.75754185748942 | erot = 4.25489778354693 | epot = -13.6409116199026 | etot = -5.62847197886623 -952000 ekin = 3.76507381751897 | erot = 4.26734583724678 | epot = -13.6608916340473 | etot = -5.62847197928153 -953000 ekin = 3.74438822476976 | erot = 4.23487585588452 | epot = -13.6077360599562 | etot = -5.62847197930195 -954000 ekin = 3.69625243059747 | erot = 4.15681815457844 | epot = -13.4815425640462 | etot = -5.62847197887032 -955000 ekin = 3.62380420360442 | erot = 4.03673171811831 | epot = -13.2890078997362 | etot = -5.62847197801344 -956000 ekin = 3.52555336959638 | erot = 3.88073805299061 | epot = -13.0347634022312 | etot = -5.62847197964419 -957000 ekin = 3.39894639330823 | erot = 3.70474137854761 | epot = -12.7321597464425 | etot = -5.62847197458665 -958000 ekin = 3.2778287962513 | erot = 3.53760737359561 | epot = -12.4439081428104 | etot = -5.62847197296348 -959000 ekin = 3.17835028752465 | erot = 3.38602207731699 | epot = -12.192844339659 | etot = -5.62847197481739 -960000 ekin = 3.09019088023733 | erot = 3.23509493662461 | epot = -11.9537577933203 | etot = -5.62847197645838 -961000 ekin = 3.00426259422371 | erot = 3.08248133730568 | epot = -11.7152159070792 | etot = -5.62847197554984 -962000 ekin = 2.92693480018163 | erot = 2.94805481000622 | epot = -11.5034615855242 | etot = -5.62847197533634 -963000 ekin = 2.85972055666779 | erot = 2.83488454642881 | epot = -11.3230770781276 | etot = -5.62847197503098 -964000 ekin = 2.80427359464354 | erot = 2.74583973223602 | epot = -11.1785853017319 | etot = -5.62847197485232 -965000 ekin = 2.76170822000418 | erot = 2.6824982618152 | epot = -11.0726784566179 | etot = -5.62847197479852 -966000 ekin = 2.73254763820421 | erot = 2.64503833024941 | epot = -11.0060579433305 | etot = -5.62847197487692 -967000 ekin = 2.71665521986808 | erot = 2.63218922349628 | epot = -10.9773164184569 | etot = -5.62847197509256 -968000 ekin = 2.71315992305503 | erot = 2.64124364138656 | epot = -10.9828755398736 | etot = -5.628471975432 -969000 ekin = 2.72046614449804 | erot = 2.66825860562603 | epot = -11.0171967259813 | etot = -5.62847197585726 -970000 ekin = 2.73639578787687 | erot = 2.70848274022997 | epot = -11.0733505044214 | etot = -5.62847197631454 -971000 ekin = 2.75849382982785 | erot = 2.75695664055477 | epot = -11.1439224470463 | etot = -5.62847197666365 -972000 ekin = 2.78540546107908 | erot = 2.80984083598288 | epot = -11.2237182739984 | etot = -5.62847197693641 -973000 ekin = 2.81581408705481 | erot = 2.8641270459728 | epot = -11.3084131101486 | etot = -5.62847197712097 -974000 ekin = 2.84847994907229 | erot = 2.91762904123098 | epot = -11.3945809675143 | etot = -5.62847197721108 -975000 ekin = 2.88260770588557 | erot = 2.96920774049662 | epot = -11.4802874235912 | etot = -5.628471977209 -976000 ekin = 2.90702474670332 | erot = 3.01964918873866 | epot = -11.5551459370364 | etot = -5.62847200159446 -977000 ekin = 2.82994037756718 | erot = 3.10467594425335 | epot = -11.5630882996782 | etot = -5.62847197785768 -978000 ekin = 2.82908361957399 | erot = 3.22546638560003 | epot = -11.6830220089 | etot = -5.62847200372599 -979000 ekin = 2.83706100119285 | erot = 3.25481873167595 | epot = -11.7203517229612 | etot = -5.62847199009245 -980000 ekin = 2.83601345146519 | erot = 3.27042511685006 | epot = -11.734910558443 | etot = -5.62847199012775 -981000 ekin = 2.8267946753128 | erot = 3.27908746205001 | epot = -11.734354127532 | etot = -5.62847199016915 -982000 ekin = 2.80889457113572 | erot = 3.28090658484328 | epot = -11.7182731461926 | etot = -5.62847199021359 -983000 ekin = 2.78208898690996 | erot = 3.27578647285559 | epot = -11.6863474500053 | etot = -5.62847199023975 -984000 ekin = 2.74660136941676 | erot = 3.26353952517299 | epot = -11.6386128848025 | etot = -5.62847199021277 -985000 ekin = 2.70333214491802 | erot = 3.24411391112877 | epot = -11.5759180461426 | etot = -5.62847199009581 -986000 ekin = 2.65408912818262 | erot = 3.21786526569146 | epot = -11.5004263837359 | etot = -5.62847198986182 -987000 ekin = 2.57871631806181 | erot = 3.17247278925066 | epot = -11.379661101659 | etot = -5.6284719943465 -988000 ekin = 2.53018926628772 | erot = 3.15315340922985 | epot = -11.3118146774823 | etot = -5.62847200196471 -989000 ekin = 2.49566278276619 | erot = 3.12952117455027 | epot = -11.2536559492687 | etot = -5.62847199195226 -990000 ekin = 2.46227182566735 | erot = 3.09741757842189 | epot = -11.1881613954863 | etot = -5.62847199139711 -991000 ekin = 2.44592299301859 | erot = 3.07158095066895 | epot = -11.145975934822 | etot = -5.62847199113442 -992000 ekin = 2.45174281613824 | erot = 3.05611048522941 | epot = -11.136325292302 | etot = -5.62847199093431 -993000 ekin = 2.48099671727936 | erot = 3.05281518215591 | epot = -11.162283890216 | etot = -5.62847199078072 -994000 ekin = 2.53415670276316 | erot = 3.0635915446707 | epot = -11.2262202381289 | etot = -5.62847199069507 -995000 ekin = 2.61088853346932 | erot = 3.09015398642358 | epot = -11.3295145105799 | etot = -5.628471990687 -996000 ekin = 2.71011819731123 | erot = 3.1337829879375 | epot = -11.4723731760072 | etot = -5.62847199075848 -997000 ekin = 2.83015603322162 | erot = 3.1951526780947 | epot = -11.6537807022256 | etot = -5.62847199090924 -998000 ekin = 2.96878571667283 | erot = 3.27423191452594 | epot = -11.8714896223473 | etot = -5.62847199114848 -999000 ekin = 3.12322522699825 | erot = 3.37022004817017 | epot = -12.121917266671 | etot = -5.62847199150257 -1000000 ekin = 3.28990650587599 | erot = 3.48146010802176 | epot = -12.3998386059123 | etot = -5.6284719920145 - 1000000 0.14621807 -0.83009398 0.055104069 -0.56937076 4.8223734e-05 64000 -Loop time of 19.2323 on 4 procs for 1000000 steps with 16 atoms - -Performance: 44924.345 tau/day, 51995.770 timesteps/s -99.6% CPU use with 4 MPI tasks x no OpenMP threads - -MPI task timing breakdown: -Section | min time | avg time | max time |%varavg| %total ---------------------------------------------------------------- -Pair | 9.9775 | 11.825 | 13.857 | 45.0 | 61.49 -Bond | 0.34359 | 0.40765 | 0.52939 | 11.3 | 2.12 -Neigh | 0.009519 | 0.0095805 | 0.00962 | 0.0 | 0.05 -Comm | 2.1953 | 2.2903 | 2.3673 | 5.1 | 11.91 -Output | 0.098605 | 0.10311 | 0.11259 | 1.7 | 0.54 -Modify | 0.73813 | 0.826 | 0.91112 | 9.1 | 4.29 -Other | | 3.771 | | | 19.61 - -Nlocal: 4.00000 ave 4 max 4 min -Histogram: 4 0 0 0 0 0 0 0 0 0 -Nghost: 12.0000 ave 12 max 12 min -Histogram: 4 0 0 0 0 0 0 0 0 0 -Neighs: 49.5000 ave 50 max 48 min -Histogram: 1 0 0 0 0 0 0 0 0 3 - -Total # of neighbors = 198 -Ave neighs/atom = 12.375000 -Ave special neighs/atom = 3.7500000 -Neighbor list builds = 1000 -Dangerous builds = 0 - -write_data last_config.${number}.* nocoeff -write_data last_config.2.* nocoeff -System init for write_data ... -Total wall time: 0:00:19 diff --git a/examples/PACKAGES/cgdna/examples/oxRNA2/duplex2/log.2Jul21.duplex2.g++.1 b/examples/PACKAGES/cgdna/examples/oxRNA2/duplex2/log.2Jul21.duplex2.g++.1 new file mode 100644 index 0000000000..f02f81d934 --- /dev/null +++ b/examples/PACKAGES/cgdna/examples/oxRNA2/duplex2/log.2Jul21.duplex2.g++.1 @@ -0,0 +1,1182 @@ +LAMMPS (2 Jul 2021) +variable number equal 2 +variable ofreq equal 1000 +variable efreq equal 1000 +variable T equal 0.1 +variable rhos equal 0.5 + +units lj + +dimension 3 + +newton on + +boundary p p p + +atom_style hybrid bond ellipsoid oxdna +WARNING: Atom style hybrid defines both, per-type and per-atom masses; both must be set, but only per-atom masses will be used (../atom_vec_hybrid.cpp:157) +atom_modify sort 0 1.0 + +# Pair interactions require lists of neighbours to be calculated +neighbor 2.0 bin +neigh_modify every 1 delay 0 check yes + +read_data data.duplex2 +Reading data file ... + orthogonal box = (-20.000000 -20.000000 -20.000000) to (20.000000 20.000000 20.000000) + 1 by 1 by 1 MPI processor grid + reading atoms ... + 16 atoms + reading velocities ... + 16 velocities + scanning bonds ... + 1 = max bonds/atom + 16 ellipsoids + reading bonds ... + 13 bonds +Finding 1-2 1-3 1-4 neighbors ... + special bond factors lj: 0 0 0 + special bond factors coul: 0 0 0 + 2 = max # of 1-2 neighbors + 2 = max # of 1-3 neighbors + 4 = max # of 1-4 neighbors + 6 = max # of special neighbors + special bonds CPU = 0.000 seconds + read_data CPU = 0.003 seconds + +set atom * mass 3.1575 +Setting atom values ... + 16 settings made for mass + +group all type 1 4 +16 atoms in group all + +# oxRNA2 bond interactions - FENE backbone +bond_style oxrna2/fene +bond_coeff * 2.0 0.25 0.761070781051 +special_bonds lj 0 1 1 +Finding 1-2 1-3 1-4 neighbors ... + special bond factors lj: 0 1 1 + special bond factors coul: 0 0 0 + 2 = max # of 1-2 neighbors + 2 = max # of 1-3 neighbors + 4 = max # of 1-4 neighbors + 6 = max # of special neighbors + special bonds CPU = 0.000 seconds + +# oxRNA2 pair interactions +pair_style hybrid/overlay oxrna2/excv oxrna2/stk oxrna2/hbond oxrna2/xstk oxrna2/coaxstk oxrna2/dh +pair_coeff * * oxrna2/excv 2.0 0.7 0.675 2.0 0.515 0.5 2.0 0.33 0.32 +pair_coeff * * oxrna2/stk seqdep ${T} 1.40206 2.77 6.0 0.43 0.93 0.35 0.78 0.9 0 0.95 0.9 0 0.95 1.3 0 0.8 1.3 0 0.8 2.0 0.65 2.0 0.65 +pair_coeff * * oxrna2/stk seqdep 0.1 1.40206 2.77 6.0 0.43 0.93 0.35 0.78 0.9 0 0.95 0.9 0 0.95 1.3 0 0.8 1.3 0 0.8 2.0 0.65 2.0 0.65 +pair_coeff * * oxrna2/hbond seqdep 0.0 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 +pair_coeff 1 4 oxrna2/hbond seqdep 0.870439 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 +pair_coeff 2 3 oxrna2/hbond seqdep 0.870439 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 +pair_coeff 3 4 oxrna2/hbond seqdep 0.870439 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 +pair_coeff * * oxrna2/xstk 59.9626 0.5 0.6 0.42 0.58 2.25 0.505 0.58 1.7 1.266 0.68 1.7 1.266 0.68 1.7 0.309 0.68 1.7 0.309 0.68 +pair_coeff * * oxrna2/coaxstk 80 0.5 0.6 0.42 0.58 2.0 2.592 0.65 1.3 0.151 0.8 0.9 0.685 0.95 0.9 0.685 0.95 2.0 -0.65 2.0 -0.65 +pair_coeff * * oxrna2/dh ${T} ${rhos} 1.02455 +pair_coeff * * oxrna2/dh 0.1 ${rhos} 1.02455 +pair_coeff * * oxrna2/dh 0.1 0.5 1.02455 + +# NVE ensemble +fix 1 all nve/asphere +#fix 2 all langevin ${T} ${T} 2.5 457145 angmom 10 + +timestep 1e-5 + +#comm_style tiled +fix 3 all balance 1000 1.03 shift xyz 10 1.03 +comm_modify cutoff 3.8 + +compute quat all property/atom quatw quati quatj quatk + +compute erot all erotate/asphere +compute ekin all ke +compute epot all pe +variable erot equal c_erot +variable ekin equal c_ekin +variable epot equal c_epot +variable etot equal c_erot+c_ekin+c_epot +fix 5 all print ${efreq} "$(step) ekin = ${ekin} | erot = ${erot} | epot = ${epot} | etot = ${etot}" screen yes +fix 5 all print 1000 "$(step) ekin = ${ekin} | erot = ${erot} | epot = ${epot} | etot = ${etot}" screen yes + +dump out all custom ${ofreq} out.${number}.lammpstrj id mol type x y z ix iy iz vx vy vz c_quat[1] c_quat[2] c_quat[3] c_quat[4] angmomx angmomy angmomz +dump out all custom 1000 out.${number}.lammpstrj id mol type x y z ix iy iz vx vy vz c_quat[1] c_quat[2] c_quat[3] c_quat[4] angmomx angmomy angmomz +dump out all custom 1000 out.2.lammpstrj id mol type x y z ix iy iz vx vy vz c_quat[1] c_quat[2] c_quat[3] c_quat[4] angmomx angmomy angmomz +dump_modify out sort id +dump_modify out format line "%d %d %d %22.15le %22.15le %22.15le %d %d %d %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le" + +run 1000000 +Neighbor list info ... + update every 1 steps, delay 0 steps, check yes + max neighbors/atom: 2000, page size: 100000 + master list distance cutoff = 4.3014979 + ghost atom cutoff = 4.3014979 + binsize = 2.150749, bins = 19 19 19 + 5 neighbor lists, perpetual/occasional/extra = 5 0 0 + (1) pair oxrna2/excv, perpetual + attributes: half, newton on + pair build: half/bin/newton + stencil: half/bin/3d + bin: standard + (2) pair oxrna2/hbond, perpetual, copy from (1) + attributes: half, newton on + pair build: copy + stencil: none + bin: none + (3) pair oxrna2/xstk, perpetual, copy from (1) + attributes: half, newton on + pair build: copy + stencil: none + bin: none + (4) pair oxrna2/coaxstk, perpetual, copy from (1) + attributes: half, newton on + pair build: copy + stencil: none + bin: none + (5) pair oxrna2/dh, perpetual, copy from (1) + attributes: half, newton on + pair build: copy + stencil: none + bin: none +WARNING: Communication cutoff adjusted to 4.301497916929199 (../comm.cpp:739) +0 ekin = 2.70475393009871 | erot = 2.80172072918779 | epot = -11.1349465280231 | etot = -5.62847186873665 +Per MPI rank memory allocation (min/avg/max) = 9.347 | 9.347 | 9.347 Mbytes +Step Temp E_pair E_mol TotEng Press Volume + 0 0.12021129 -0.7299505 0.034016337 -0.52688704 5.1214421e-05 64000 +1000 ekin = 2.74425239815418 | erot = 2.79065458610894 | epot = -11.163378852689 | etot = -5.62847186842591 +2000 ekin = 2.78841691867037 | erot = 2.77992540099535 | epot = -11.1968141877249 | etot = -5.62847186805919 +3000 ekin = 2.83938215410024 | erot = 2.77185117591642 | epot = -11.2397051978033 | etot = -5.62847186778665 +4000 ekin = 2.89876217830266 | erot = 2.76816783884241 | epot = -11.295401884792 | etot = -5.62847186764698 +5000 ekin = 2.96742170720772 | erot = 2.76919345829433 | epot = -11.3650870331989 | etot = -5.62847186769686 +6000 ekin = 3.04563007371043 | erot = 2.77376672268246 | epot = -11.4478686641706 | etot = -5.62847186777771 +7000 ekin = 3.13407886898542 | erot = 2.78065913591454 | epot = -11.5432098726293 | etot = -5.62847186772939 +8000 ekin = 3.23400863287747 | erot = 2.78938863934855 | epot = -11.651869139893 | etot = -5.628471867667 +9000 ekin = 3.34625998930262 | erot = 2.80019523753782 | epot = -11.7749270943235 | etot = -5.62847186748304 +10000 ekin = 3.47220350616338 | erot = 2.8146462281528 | epot = -11.9153216015116 | etot = -5.62847186719541 +11000 ekin = 3.61341090096022 | erot = 2.83541090219848 | epot = -12.0772936703878 | etot = -5.62847186722913 +12000 ekin = 3.76971728921065 | erot = 2.8651661044909 | epot = -12.2633552607298 | etot = -5.62847186702824 +13000 ekin = 3.9410557771447 | erot = 2.90597306806357 | epot = -12.4755007121564 | etot = -5.62847186694818 +14000 ekin = 4.1273074489676 | erot = 2.95952862137382 | epot = -12.7153079373022 | etot = -5.6284718669608 +15000 ekin = 4.32776706381553 | erot = 3.02701108512254 | epot = -12.9832500158853 | etot = -5.62847186694725 +16000 ekin = 4.54139695680688 | erot = 3.10924468066181 | epot = -13.2791135046205 | etot = -5.62847186715177 +17000 ekin = 4.76575661763827 | erot = 3.20604355373095 | epot = -13.60027203892 | etot = -5.62847186755082 +18000 ekin = 4.99700491214688 | erot = 3.31611869568271 | epot = -13.9415954758898 | etot = -5.62847186806023 +19000 ekin = 5.23048108112194 | erot = 3.43700077146765 | epot = -14.2959537213472 | etot = -5.62847186875762 +20000 ekin = 5.4607474251306 | erot = 3.56463156086408 | epot = -14.6538508556013 | etot = -5.62847186960665 +21000 ekin = 5.68087058007138 | erot = 3.69256776681719 | epot = -15.0019102179231 | etot = -5.62847187103449 +22000 ekin = 5.8832761998388 | erot = 3.81252322503561 | epot = -15.3242712967755 | etot = -5.62847187190112 +23000 ekin = 6.06249979951992 | erot = 3.91720950057676 | epot = -15.6081811728147 | etot = -5.62847187271801 +24000 ekin = 6.21449712377438 | erot = 4.00104081543186 | epot = -15.8440098121105 | etot = -5.62847187290421 +25000 ekin = 6.33853277809255 | erot = 4.06184542619886 | epot = -16.0288500769828 | etot = -5.6284718726914 +26000 ekin = 6.43627737187012 | erot = 4.10076278430849 | epot = -16.1655120283938 | etot = -5.6284718722152 +27000 ekin = 6.51092447972028 | erot = 4.12134483746816 | epot = -16.2607411888241 | etot = -5.62847187163566 +28000 ekin = 6.56622100976685 | erot = 4.12827111510823 | epot = -16.3229639959506 | etot = -5.62847187107552 +29000 ekin = 6.60587340002395 | erot = 4.12622173833906 | epot = -16.3605670089491 | etot = -5.62847187058613 +30000 ekin = 6.63335580501832 | erot = 4.11921545444658 | epot = -16.3810431296793 | etot = -5.62847187021444 +31000 ekin = 6.65211888589275 | erot = 4.10999678317536 | epot = -16.3905875389834 | etot = -5.62847186991527 +32000 ekin = 6.66584763664879 | erot = 4.10024297795105 | epot = -16.3945624842072 | etot = -5.62847186960737 +33000 ekin = 6.67923227191035 | erot = 4.0912920741337 | epot = -16.398996215263 | etot = -5.62847186921897 +34000 ekin = 6.69756137216839 | erot = 4.08414768607668 | epot = -16.4101809271346 | etot = -5.62847186888957 +35000 ekin = 6.72589628312089 | erot = 4.07950228497952 | epot = -16.4338704366877 | etot = -5.62847186858733 +36000 ekin = 6.76908557113721 | erot = 4.07778615492113 | epot = -16.4753435944361 | etot = -5.6284718683778 +37000 ekin = 6.8309750621341 | erot = 4.07899014040668 | epot = -16.5384370708782 | etot = -5.62847186833746 +38000 ekin = 6.91354703253178 | erot = 4.08242106390421 | epot = -16.6244399649596 | etot = -5.6284718685236 +39000 ekin = 7.01626065739839 | erot = 4.0865217194279 | epot = -16.731254245777 | etot = -5.62847186895074 +40000 ekin = 7.13573792258335 | erot = 4.08884404540011 | epot = -16.8530538375758 | etot = -5.6284718695923 +41000 ekin = 7.26614194134519 | erot = 4.08627042537778 | epot = -16.9808842370343 | etot = -5.62847187031131 +42000 ekin = 7.40051154120592 | erot = 4.07546023443118 | epot = -17.1044436466276 | etot = -5.62847187099052 +43000 ekin = 7.53157437143693 | erot = 4.05344655359662 | epot = -17.2134927965848 | etot = -5.62847187155127 +44000 ekin = 7.65268317567647 | erot = 4.01819177227262 | epot = -17.2993468198233 | etot = -5.62847187187421 +45000 ekin = 7.7584534330689 | erot = 3.96898510895809 | epot = -17.3559104142065 | etot = -5.62847187217952 +46000 ekin = 7.84504377034641 | erot = 3.90454903064835 | epot = -17.3780646733317 | etot = -5.62847187233695 +47000 ekin = 7.9100239082063 | erot = 3.82478596555242 | epot = -17.3632817459107 | etot = -5.628471872152 +48000 ekin = 7.95195705456506 | erot = 3.73154439390053 | epot = -17.3119733204129 | etot = -5.62847187194729 +49000 ekin = 7.97001825706866 | erot = 3.62752007295095 | epot = -17.2260102016185 | etot = -5.62847187159891 +50000 ekin = 7.96375756700429 | erot = 3.51726958365157 | epot = -17.1094990215452 | etot = -5.62847187088935 +51000 ekin = 7.93280761300438 | erot = 3.40827188497884 | epot = -16.9695513688031 | etot = -5.62847187081985 +52000 ekin = 7.87656811744191 | erot = 3.30207418532579 | epot = -16.8071141735587 | etot = -5.62847187079096 +53000 ekin = 7.79531012541906 | erot = 3.19839984815453 | epot = -16.6221818441148 | etot = -5.62847187054118 +54000 ekin = 7.68952609570334 | erot = 3.09980185481856 | epot = -16.4177998208246 | etot = -5.62847187030271 +55000 ekin = 7.55966222141095 | erot = 3.00897426989566 | epot = -16.19710836145 | etot = -5.62847187014341 +56000 ekin = 7.40594124507999 | erot = 2.92802865182286 | epot = -15.9624417669773 | etot = -5.62847187007443 +57000 ekin = 7.22816598141989 | erot = 2.85836584281815 | epot = -15.715003694348 | etot = -5.62847187010995 +58000 ekin = 7.02573051397604 | erot = 2.80066522322055 | epot = -15.4548676074194 | etot = -5.62847187022284 +59000 ekin = 6.80455077165117 | erot = 2.75651944712048 | epot = -15.1895420860965 | etot = -5.62847186732484 +60000 ekin = 6.57760251691511 | erot = 2.72731501678749 | epot = -14.9333893991692 | etot = -5.6284718654666 +61000 ekin = 5.99884053190006 | erot = 2.6501026979171 | epot = -14.277415033115 | etot = -5.62847180329785 +62000 ekin = 5.82217958652235 | erot = 2.65058478195194 | epot = -14.1012361774607 | etot = -5.62847180898638 +63000 ekin = 6.00993174210252 | erot = 2.7114348346643 | epot = -14.3498384845184 | etot = -5.62847190775156 +64000 ekin = 5.85096985050371 | erot = 2.71173917624744 | epot = -14.1911809366074 | etot = -5.62847190985628 +65000 ekin = 5.67959801442737 | erot = 2.7073163013018 | epot = -14.0153862253963 | etot = -5.62847190966708 +66000 ekin = 5.49812382731708 | erot = 2.69646895132529 | epot = -13.823064688063 | etot = -5.62847190942062 +67000 ekin = 5.31011188753149 | erot = 2.67901331172427 | epot = -13.6175971082582 | etot = -5.6284719090024 +68000 ekin = 5.1196422958259 | erot = 2.65622197273443 | epot = -13.4043361770525 | etot = -5.62847190849221 +69000 ekin = 4.93067975207853 | erot = 2.63014135225736 | epot = -13.1892930124928 | etot = -5.62847190815687 +70000 ekin = 4.74697386617484 | erot = 2.60347312706348 | epot = -12.9789189008748 | etot = -5.62847190763644 +71000 ekin = 4.57222133259566 | erot = 2.57971589798972 | epot = -12.7804091377441 | etot = -5.62847190715871 +72000 ekin = 4.4095964850778 | erot = 2.56228295922532 | epot = -12.6003513510613 | etot = -5.62847190675817 +73000 ekin = 4.26170009573902 | erot = 2.5540607608015 | epot = -12.4442327629946 | etot = -5.62847190645407 +74000 ekin = 4.13052949790817 | erot = 2.55713155841204 | epot = -12.3161329625863 | etot = -5.62847190626611 +75000 ekin = 4.01588192828867 | erot = 2.56608801434087 | epot = -12.2104419139893 | etot = -5.62847197135973 +76000 ekin = 3.95904625854794 | erot = 2.44184942386032 | epot = -12.0293675901709 | etot = -5.62847190776262 +77000 ekin = 4.02755960266364 | erot = 2.46007159499085 | epot = -12.1161031098036 | etot = -5.62847191214915 +78000 ekin = 3.98785439943816 | erot = 2.49596945534639 | epot = -12.1122957670964 | etot = -5.62847191231181 +79000 ekin = 3.96575767721429 | erot = 2.5420084233549 | epot = -12.1362380131152 | etot = -5.62847191254604 +80000 ekin = 3.95961954869556 | erot = 2.59604589435634 | epot = -12.1841373558848 | etot = -5.6284719128329 +81000 ekin = 3.96734100032344 | erot = 2.65577062232391 | epot = -12.2515835357817 | etot = -5.6284719131343 +82000 ekin = 3.98651997822123 | erot = 2.71892569307124 | epot = -12.333917584723 | etot = -5.6284719134305 +83000 ekin = 4.01459300302745 | erot = 2.78352190390239 | epot = -12.4265868206359 | etot = -5.62847191370609 +84000 ekin = 4.04956210608553 | erot = 2.8479662966446 | epot = -12.5260003165344 | etot = -5.62847191380431 +85000 ekin = 4.09049341026869 | erot = 2.91104365381142 | epot = -12.630008978118 | etot = -5.62847191403787 +86000 ekin = 4.13484812560052 | erot = 2.9720116541913 | epot = -12.7353316940203 | etot = -5.6284719142285 +87000 ekin = 4.18003829184658 | erot = 3.03078479878327 | epot = -12.8392950049953 | etot = -5.6284719143655 +88000 ekin = 4.22360704724744 | erot = 3.08796574000362 | epot = -12.9400447017002 | etot = -5.62847191444915 +89000 ekin = 4.26326024607336 | erot = 3.14481288279522 | epot = -13.0365450433359 | etot = -5.62847191446734 +90000 ekin = 4.2958811179063 | erot = 3.20341713777048 | epot = -13.12777017033 | etot = -5.62847191465327 +91000 ekin = 4.31697784577826 | erot = 3.26736040230188 | epot = -13.2128101626457 | etot = -5.62847191456554 +92000 ekin = 4.32507837347591 | erot = 3.3393160194459 | epot = -13.2928663075901 | etot = -5.62847191466833 +93000 ekin = 4.31872212432208 | erot = 3.42036541916806 | epot = -13.3675594581779 | etot = -5.62847191468773 +94000 ekin = 4.29660005793304 | erot = 3.51205694754431 | epot = -13.437128920154 | etot = -5.62847191467669 +95000 ekin = 4.25789021838854 | erot = 3.6160647566687 | epot = -13.5024268896671 | etot = -5.62847191460983 +96000 ekin = 4.20253661926512 | erot = 3.73412422729691 | epot = -13.5651327610313 | etot = -5.62847191446931 +97000 ekin = 4.13146529060029 | erot = 3.86803037439328 | epot = -13.6279675793419 | etot = -5.62847191434832 +98000 ekin = 4.04669071975368 | erot = 4.01885670334762 | epot = -13.6940193371953 | etot = -5.628471914094 +99000 ekin = 3.95128630061913 | erot = 4.18772840013497 | epot = -13.7674866145626 | etot = -5.62847191380852 +100000 ekin = 3.84921784883078 | erot = 4.37558821791315 | epot = -13.8532779802875 | etot = -5.62847191354357 +101000 ekin = 3.74501223923306 | erot = 4.58258429231825 | epot = -13.9560684449147 | etot = -5.62847191336337 +102000 ekin = 3.64330024870574 | erot = 4.80764134110157 | epot = -14.0794135031375 | etot = -5.62847191333017 +103000 ekin = 3.54831662006275 | erot = 5.04811575607591 | epot = -14.2249042896176 | etot = -5.62847191347892 +104000 ekin = 3.46349772064929 | erot = 5.29960820358541 | epot = -14.3915778382038 | etot = -5.62847191396914 +105000 ekin = 3.39136254536257 | erot = 5.55507704360081 | epot = -14.5749115034252 | etot = -5.62847191446186 +106000 ekin = 3.33356403744393 | erot = 5.80718759325027 | epot = -14.7692235454841 | etot = -5.62847191478991 +107000 ekin = 3.29209861353684 | erot = 6.04906687386845 | epot = -14.9696374027456 | etot = -5.62847191534027 +108000 ekin = 3.26748487341094 | erot = 6.27418243659807 | epot = -15.1701392258631 | etot = -5.62847191585406 +109000 ekin = 3.25930506886592 | erot = 6.47585417244427 | epot = -15.3636311580693 | etot = -5.6284719167591 +110000 ekin = 3.26568272829091 | erot = 6.64602097208043 | epot = -15.5401756176987 | etot = -5.62847191732734 +111000 ekin = 3.28520059172616 | erot = 6.77857539600461 | epot = -15.692247905527 | etot = -5.62847191779627 +112000 ekin = 3.31659315707435 | erot = 6.86862760564104 | epot = -15.8136926809253 | etot = -5.62847191820991 +113000 ekin = 3.35860144230934 | erot = 6.91335224014982 | epot = -15.9004256006578 | etot = -5.62847191819866 +114000 ekin = 3.4107346812468 | erot = 6.91406610981361 | epot = -15.9532727088344 | etot = -5.62847191777402 +115000 ekin = 3.47381531534278 | erot = 6.87643065686551 | epot = -15.9787178894079 | etot = -5.62847191719963 +116000 ekin = 3.5488643755877 | erot = 6.80711139529257 | epot = -15.9844476879583 | etot = -5.62847191707805 +117000 ekin = 3.63467409204942 | erot = 6.71320827683716 | epot = -15.9763542854633 | etot = -5.62847191657669 +118000 ekin = 3.72815555523548 | erot = 6.60276001485684 | epot = -15.9593874864267 | etot = -5.62847191633434 +119000 ekin = 3.82420980363903 | erot = 6.48288858478368 | epot = -15.9355703049693 | etot = -5.62847191654655 +120000 ekin = 3.91797748357197 | erot = 6.35662792089921 | epot = -15.9030773212278 | etot = -5.62847191675661 +121000 ekin = 4.00591742044011 | erot = 6.22468993027114 | epot = -15.8590792676427 | etot = -5.62847191693149 +122000 ekin = 4.08550270322343 | erot = 6.08676575288908 | epot = -15.8007403736367 | etot = -5.6284719175242 +123000 ekin = 4.15433540908351 | erot = 5.94071572290345 | epot = -15.7235230494641 | etot = -5.62847191747713 +124000 ekin = 4.21272085203578 | erot = 5.78590733869425 | epot = -15.6271001078547 | etot = -5.62847191712464 +125000 ekin = 4.26325970413163 | erot = 5.62467373686552 | epot = -15.5164053575229 | etot = -5.62847191652571 +126000 ekin = 4.30880597980491 | erot = 5.46113290467086 | epot = -15.3984108007446 | etot = -5.62847191626881 +127000 ekin = 4.35136313111015 | erot = 5.29960307371326 | epot = -15.2794381205808 | etot = -5.62847191575739 +128000 ekin = 4.39391383900498 | erot = 5.14386269106637 | epot = -15.1662484454469 | etot = -5.62847191537554 +129000 ekin = 4.43858036063657 | erot = 4.99693296064704 | epot = -15.0639852363962 | etot = -5.62847191511261 +130000 ekin = 4.48619887382542 | erot = 4.86092637377907 | epot = -14.9755971627245 | etot = -5.62847191512001 +131000 ekin = 4.53629967746126 | erot = 4.73552279955485 | epot = -14.9002943921704 | etot = -5.62847191515428 +132000 ekin = 4.58794392436778 | erot = 4.62012473201905 | epot = -14.8365405715613 | etot = -5.62847191517448 +133000 ekin = 4.63977927970892 | erot = 4.51475331813984 | epot = -14.7830045130169 | etot = -5.62847191516817 +134000 ekin = 4.69096227444668 | erot = 4.4193657152014 | epot = -14.7387999047827 | etot = -5.62847191513464 +135000 ekin = 4.74083332632091 | erot = 4.33399770983663 | epot = -14.7033029512382 | etot = -5.62847191508071 +136000 ekin = 4.78901374177424 | erot = 4.25873574864832 | epot = -14.6762214054337 | etot = -5.62847191501112 +137000 ekin = 4.83519033966293 | erot = 4.19345584709321 | epot = -14.6571181018643 | etot = -5.62847191510819 +138000 ekin = 4.87857190019268 | erot = 4.13759960010504 | epot = -14.6446434153652 | etot = -5.62847191506751 +139000 ekin = 4.91933904268643 | erot = 4.0904184140816 | epot = -14.6382293717809 | etot = -5.62847191501289 +140000 ekin = 4.95802132610714 | erot = 4.05108530565775 | epot = -14.6375785467331 | etot = -5.62847191496819 +141000 ekin = 4.99519923255345 | erot = 4.01864210163631 | epot = -14.6423132491265 | etot = -5.62847191493678 +142000 ekin = 5.0313403186538 | erot = 3.99210960072455 | epot = -14.6519218343063 | etot = -5.62847191492795 +143000 ekin = 5.06663282814597 | erot = 3.9705610087224 | epot = -14.6656657518144 | etot = -5.62847191494604 +144000 ekin = 5.10088003253958 | erot = 3.95318385936644 | epot = -14.6825358068961 | etot = -5.62847191499011 +145000 ekin = 5.13347728619398 | erot = 3.93933318432649 | epot = -14.7012823855749 | etot = -5.62847191505442 +146000 ekin = 5.16346418937014 | erot = 3.92856945833569 | epot = -14.7205055628362 | etot = -5.62847191513039 +147000 ekin = 5.18962884502088 | erot = 3.92067778970105 | epot = -14.738778549931 | etot = -5.62847191520907 +148000 ekin = 5.21063630105009 | erot = 3.91566839447787 | epot = -14.75477661081 | etot = -5.62847191528207 +149000 ekin = 5.22515818277277 | erot = 3.91376203384946 | epot = -14.7673921319647 | etot = -5.62847191534252 +150000 ekin = 5.23199081771404 | erot = 3.91536756918864 | epot = -14.7758303022868 | etot = -5.62847191538416 +151000 ekin = 5.23025857434856 | erot = 3.92102977399562 | epot = -14.7797602637291 | etot = -5.62847191538493 +152000 ekin = 5.21970456277593 | erot = 3.93136599417318 | epot = -14.7795424723186 | etot = -5.6284719153695 +153000 ekin = 5.20020715643906 | erot = 3.94729684643019 | epot = -14.775975918157 | etot = -5.62847191528778 +154000 ekin = 5.17219962280864 | erot = 3.96989664945436 | epot = -14.7705681875096 | etot = -5.62847191524665 +155000 ekin = 5.13597939415166 | erot = 4.00025654377908 | epot = -14.7647078530825 | etot = -5.6284719151518 +156000 ekin = 5.09227456538766 | erot = 4.03969792967894 | epot = -14.7604444100925 | etot = -5.62847191502591 +157000 ekin = 5.04214374655778 | erot = 4.08965648366409 | epot = -14.7602721451215 | etot = -5.62847191489967 +158000 ekin = 4.98664076893679 | erot = 4.15175637520665 | epot = -14.7668690589135 | etot = -5.62847191477004 +159000 ekin = 4.92656708226332 | erot = 4.2269378597674 | epot = -14.7819768568011 | etot = -5.62847191477039 +160000 ekin = 4.86235166664946 | erot = 4.31524574981795 | epot = -14.8060693313525 | etot = -5.62847191488512 +161000 ekin = 4.79340744408374 | erot = 4.41634192155731 | epot = -14.8382212806372 | etot = -5.6284719149962 +162000 ekin = 4.71931679137153 | erot = 4.52911647420334 | epot = -14.8769051807423 | etot = -5.62847191516742 +163000 ekin = 4.63965178837876 | erot = 4.65170333188752 | epot = -14.9198270356111 | etot = -5.62847191534485 +164000 ekin = 4.55406399624281 | erot = 4.78166301740355 | epot = -14.964198929296 | etot = -5.62847191564965 +165000 ekin = 4.46213996067409 | erot = 4.9153027215891 | epot = -15.0059145982043 | etot = -5.62847191594116 +166000 ekin = 4.36388109534828 | erot = 5.04805357548597 | epot = -15.0404065870403 | etot = -5.62847191620602 +167000 ekin = 4.25995046842402 | erot = 5.1751106852227 | epot = -15.0635330700691 | etot = -5.62847191642234 +168000 ekin = 4.15154354282101 | erot = 5.29182746831917 | epot = -15.0718429277119 | etot = -5.62847191657168 +169000 ekin = 4.04026084727475 | erot = 5.39411747728107 | epot = -15.06285024121 | etot = -5.62847191665415 +170000 ekin = 3.92797723838337 | erot = 5.47890367159931 | epot = -15.0353528265942 | etot = -5.62847191661149 +171000 ekin = 3.81680551395843 | erot = 5.54460219961171 | epot = -14.9898796300195 | etot = -5.62847191644934 +172000 ekin = 3.70912194360914 | erot = 5.5911987727273 | epot = -14.9287926324956 | etot = -5.62847191615919 +173000 ekin = 3.60767008610031 | erot = 5.62020496676059 | epot = -14.8563469686169 | etot = -5.62847191575601 +174000 ekin = 3.5159312314275 | erot = 5.63484613588141 | epot = -14.7792492818567 | etot = -5.62847191454778 +175000 ekin = 3.43946966413942 | erot = 5.64148825119161 | epot = -14.7094298295824 | etot = -5.6284719142514 +176000 ekin = 3.3814996434009 | erot = 5.6430458497967 | epot = -14.6530174072231 | etot = -5.62847191402549 +177000 ekin = 3.34426304280398 | erot = 5.64075589500609 | epot = -14.6134908517401 | etot = -5.62847191393005 +178000 ekin = 3.32907821318191 | erot = 5.63429171925387 | epot = -14.5918418466214 | etot = -5.62847191418561 +179000 ekin = 3.33553286829402 | erot = 5.62088708741546 | epot = -14.5848918700479 | etot = -5.62847191433839 +180000 ekin = 3.36333384277286 | erot = 5.59827011329217 | epot = -14.590075870683 | etot = -5.62847191461792 +181000 ekin = 3.41118322744715 | erot = 5.56369949232851 | epot = -14.6033546347479 | etot = -5.6284719149722 +182000 ekin = 3.4766665781393 | erot = 5.5144290911937 | epot = -14.6195675846746 | etot = -5.62847191534156 +183000 ekin = 3.55646627297111 | erot = 5.44847615754721 | epot = -14.6334143461245 | etot = -5.62847191560621 +184000 ekin = 3.64671110623877 | erot = 5.36528131962461 | epot = -14.6404643416891 | etot = -5.62847191582572 +185000 ekin = 3.74294243854212 | erot = 5.26596644090073 | epot = -14.6373807953562 | etot = -5.62847191591336 +186000 ekin = 3.84064021177378 | erot = 5.15359326678875 | epot = -14.6227053944187 | etot = -5.62847191585613 +187000 ekin = 3.93563840594967 | erot = 5.03296537332375 | epot = -14.5970756949468 | etot = -5.62847191567334 +188000 ekin = 4.02444308409251 | erot = 4.91004205202546 | epot = -14.5629570515389 | etot = -5.6284719154209 +189000 ekin = 4.10437481570263 | erot = 4.79101157925906 | epot = -14.5238583101438 | etot = -5.6284719151821 +190000 ekin = 4.17348832619947 | erot = 4.68117061832993 | epot = -14.4831308595823 | etot = -5.62847191505295 +191000 ekin = 4.23028845394399 | erot = 4.5838619279875 | epot = -14.4426222970214 | etot = -5.6284719150899 +192000 ekin = 4.27358054060613 | erot = 4.49984530057472 | epot = -14.4018977564781 | etot = -5.62847191529729 +193000 ekin = 4.2459291199389 | erot = 4.46741799187519 | epot = -14.3418190226901 | etot = -5.628471910876 +194000 ekin = 4.19994174150929 | erot = 4.47173701960579 | epot = -14.300150679366 | etot = -5.62847191825091 +195000 ekin = 4.19981139522189 | erot = 4.40365513590272 | epot = -14.2319384423478 | etot = -5.62847191122323 +196000 ekin = 4.18831859749958 | erot = 4.32821378408475 | epot = -14.1450042928938 | etot = -5.6284719113095 +197000 ekin = 4.16445522600504 | erot = 4.24686919663307 | epot = -14.0397963337814 | etot = -5.62847191114325 +198000 ekin = 4.13074920372969 | erot = 4.15919636754505 | epot = -13.9184174820225 | etot = -5.62847191074777 +199000 ekin = 4.09062074736202 | erot = 4.06700829109767 | epot = -13.7861009486898 | etot = -5.62847191023014 +200000 ekin = 4.0479233868723 | erot = 3.97356549445286 | epot = -13.6499607909688 | etot = -5.62847190964361 +201000 ekin = 4.00668244919801 | erot = 3.88277215508923 | epot = -13.5179265133891 | etot = -5.62847190910191 +202000 ekin = 3.97063392471746 | erot = 3.79828207702036 | epot = -13.3973879104091 | etot = -5.62847190867124 +203000 ekin = 3.94283665189392 | erot = 3.72290259923711 | epot = -13.2942111595166 | etot = -5.62847190838553 +204000 ekin = 3.92540743372156 | erot = 3.6583521626231 | epot = -13.2122315045945 | etot = -5.62847190824983 +205000 ekin = 3.91946432177292 | erot = 3.60562062220845 | epot = -13.1535568521697 | etot = -5.62847190818838 +206000 ekin = 3.92515912499406 | erot = 3.565100627265 | epot = -13.1187316605133 | etot = -5.62847190825423 +207000 ekin = 3.94166066189543 | erot = 3.53643554884992 | epot = -13.1065681191262 | etot = -5.62847190838084 +208000 ekin = 3.9674190465959 | erot = 3.5190928531888 | epot = -13.1149838083199 | etot = -5.6284719085352 +209000 ekin = 3.99456273872588 | erot = 3.50083315850279 | epot = -13.1238678065881 | etot = -5.6284719093594 +210000 ekin = 4.04796401860247 | erot = 3.49168954890823 | epot = -13.1681254815363 | etot = -5.62847191402562 +211000 ekin = 4.09773342715881 | erot = 3.4930481201282 | epot = -13.2192534546321 | etot = -5.62847190734506 +212000 ekin = 4.14205596974231 | erot = 3.50221111647777 | epot = -13.2727389936859 | etot = -5.62847190746587 +213000 ekin = 4.18461227969094 | erot = 3.51992604962354 | epot = -13.3330102373203 | etot = -5.62847190800585 +214000 ekin = 4.22291801220844 | erot = 3.54318058637904 | epot = -13.3945705067363 | etot = -5.62847190814881 +215000 ekin = 4.25639069943864 | erot = 3.57018634832895 | epot = -13.4550489560033 | etot = -5.62847190823574 +216000 ekin = 4.28517056130573 | erot = 3.59920416165346 | epot = -13.512846631277 | etot = -5.6284719083178 +217000 ekin = 4.30951457891135 | erot = 3.62862634730542 | epot = -13.566612834605 | etot = -5.6284719083882 +218000 ekin = 4.33022749097351 | erot = 3.65639118247609 | epot = -13.6150905819282 | etot = -5.62847190847864 +219000 ekin = 4.34822739188558 | erot = 3.68015661121787 | epot = -13.6568559116862 | etot = -5.62847190858279 +220000 ekin = 4.36437280258139 | erot = 3.69755509928789 | epot = -13.6903998105143 | etot = -5.62847190864505 +221000 ekin = 4.37954317243215 | erot = 3.70660976824613 | epot = -13.71462484937 | etot = -5.62847190869167 +222000 ekin = 4.39451292716877 | erot = 3.70596363375719 | epot = -13.7289484695945 | etot = -5.62847190866858 +223000 ekin = 4.41008213188775 | erot = 3.69513355487823 | epot = -13.7336875953398 | etot = -5.62847190857384 +224000 ekin = 4.42678943726018 | erot = 3.67466536393939 | epot = -13.7299267097394 | etot = -5.62847190853985 +225000 ekin = 4.44460701700748 | erot = 3.64600909388419 | epot = -13.7190880192608 | etot = -5.6284719083691 +226000 ekin = 4.47380092382151 | erot = 3.58830814098213 | epot = -13.6905809780337 | etot = -5.62847191323009 +227000 ekin = 4.56056009803568 | erot = 3.47269306832245 | epot = -13.6617250773562 | etot = -5.62847191099804 +228000 ekin = 4.61083327530785 | erot = 3.40803816011397 | epot = -13.6473433475456 | etot = -5.62847191212377 +229000 ekin = 4.63150013167703 | erot = 3.3589814900088 | epot = -13.6189535337029 | etot = -5.62847191201702 +230000 ekin = 4.65431068143757 | erot = 3.31343017818592 | epot = -13.5962127716247 | etot = -5.62847191200126 +231000 ekin = 4.67934821404584 | erot = 3.27332737527277 | epot = -13.5811475014845 | etot = -5.62847191216592 +232000 ekin = 4.70592354946075 | erot = 3.23944506667659 | epot = -13.5738405284593 | etot = -5.62847191232194 +233000 ekin = 4.73271416122328 | erot = 3.21144788525921 | epot = -13.5726339590417 | etot = -5.62847191255916 +234000 ekin = 4.75943444984861 | erot = 3.19078729233698 | epot = -13.5786936545775 | etot = -5.62847191239187 +235000 ekin = 4.78642241817936 | erot = 3.18021193976881 | epot = -13.5951062703943 | etot = -5.62847191244611 +236000 ekin = 4.81315037988097 | erot = 3.18017325334987 | epot = -13.6217955456973 | etot = -5.62847191246644 +237000 ekin = 4.83923297185456 | erot = 3.19145400453496 | epot = -13.6591588888804 | etot = -5.62847191249087 +238000 ekin = 4.86487585931723 | erot = 3.21481908800387 | epot = -13.7081668597346 | etot = -5.62847191241352 +239000 ekin = 4.89063931714873 | erot = 3.25114955282084 | epot = -13.7702607826831 | etot = -5.62847191271357 +240000 ekin = 4.91656145052489 | erot = 3.29901781218922 | epot = -13.8440511754907 | etot = -5.62847191277661 +241000 ekin = 4.94245255089304 | erot = 3.35699698381595 | epot = -13.9279214477117 | etot = -5.62847191300268 +242000 ekin = 4.96767380346102 | erot = 3.42365009425998 | epot = -14.019795810921 | etot = -5.62847191319999 +243000 ekin = 5.00573446225042 | erot = 3.47030260469304 | epot = -14.1045089792028 | etot = -5.62847191225932 +244000 ekin = 5.06987350321221 | erot = 3.50985787352176 | epot = -14.208203293301 | etot = -5.628471916567 +245000 ekin = 5.08405115957638 | erot = 3.57323736718633 | epot = -14.2857604930711 | etot = -5.62847196630839 +246000 ekin = 5.13867281568869 | erot = 3.5302241078675 | epot = -14.2973688418951 | etot = -5.6284719183389 +247000 ekin = 5.24446071734841 | erot = 3.63707192639613 | epot = -14.5100045566459 | etot = -5.62847191290139 +248000 ekin = 5.23528120841762 | erot = 3.74023330973914 | epot = -14.6039864311642 | etot = -5.62847191300749 +249000 ekin = 5.21260078435197 | erot = 3.83729795660079 | epot = -14.6783706538237 | etot = -5.62847191287092 +250000 ekin = 5.17839081250343 | erot = 3.92749000333695 | epot = -14.734352728446 | etot = -5.62847191260562 +251000 ekin = 5.13586036334 | erot = 4.01108345357516 | epot = -14.7754157290646 | etot = -5.62847191214949 +252000 ekin = 5.08918292106492 | erot = 4.09018694184386 | epot = -14.8078417745577 | etot = -5.62847191164893 +253000 ekin = 5.04264218495468 | erot = 4.1675905821178 | epot = -14.8387046782793 | etot = -5.62847191120685 +254000 ekin = 4.99116344078993 | erot = 4.24248912287765 | epot = -14.8621245493497 | etot = -5.6284719856821 +255000 ekin = 4.72637462799972 | erot = 4.2440783766396 | epot = -14.5989249326045 | etot = -5.62847192796514 +256000 ekin = 4.59834109997907 | erot = 4.36369782209805 | epot = -14.5905108364843 | etot = -5.62847191440722 +257000 ekin = 4.77089539876803 | erot = 4.60066315314853 | epot = -15.0000305289764 | etot = -5.62847197705987 +258000 ekin = 4.85704242990004 | erot = 4.66807324376142 | epot = -15.1535875814137 | etot = -5.62847190775219 +259000 ekin = 4.89901811472525 | erot = 4.72718635920727 | epot = -15.2546763808553 | etot = -5.62847190692281 +260000 ekin = 4.94107094739554 | erot = 4.79406863685558 | epot = -15.3636114914093 | etot = -5.62847190715818 +261000 ekin = 4.98242309075096 | erot = 4.86508628580875 | epot = -15.475981284619 | etot = -5.62847190805929 +262000 ekin = 5.01659840998684 | erot = 4.93871137847543 | epot = -15.5837816973622 | etot = -5.62847190889994 +263000 ekin = 5.03982661194632 | erot = 5.00983839411552 | epot = -15.6781369155684 | etot = -5.62847190950657 +264000 ekin = 5.04732696349983 | erot = 5.07389667598511 | epot = -15.7496955495903 | etot = -5.62847191010532 +265000 ekin = 5.03448807085202 | erot = 5.12688367712944 | epot = -15.7898436586188 | etot = -5.62847191063736 +266000 ekin = 4.99773438959737 | erot = 5.16480683531488 | epot = -15.7910131359606 | etot = -5.62847191104833 +267000 ekin = 4.93508497406381 | erot = 5.18388050750012 | epot = -15.7474373928657 | etot = -5.62847191130179 +268000 ekin = 4.84654531471015 | erot = 5.18063468558789 | epot = -15.6556519116809 | etot = -5.62847191138284 +269000 ekin = 4.73423214274795 | erot = 5.15198859731792 | epot = -15.514692651355 | etot = -5.62847191128916 +270000 ekin = 4.60224202248674 | erot = 5.095406888169 | epot = -15.3261208188928 | etot = -5.628471908237 +271000 ekin = 4.45636876655062 | erot = 5.00923317388204 | epot = -15.0940738481985 | etot = -5.6284719077658 +272000 ekin = 4.30375505735574 | erot = 4.89315778304253 | epot = -14.825384747494 | etot = -5.62847190709572 +273000 ekin = 4.15244061479995 | erot = 4.7486264812337 | epot = -14.529539002294 | etot = -5.62847190626033 +274000 ekin = 4.01137482334502 | erot = 4.57896672456475 | epot = -14.2188134532227 | etot = -5.62847190531291 +275000 ekin = 3.87388872892673 | erot = 4.38950805795187 | epot = -13.8918687169909 | etot = -5.62847193011234 +276000 ekin = 3.70828148350286 | erot = 4.1897556795013 | epot = -13.526509065468 | etot = -5.62847190246379 +277000 ekin = 3.74025187940178 | erot = 3.98894405210606 | epot = -13.3576678645654 | etot = -5.62847193305752 +278000 ekin = 3.74221760775414 | erot = 3.77038543692028 | epot = -13.1410749479143 | etot = -5.62847190323988 +279000 ekin = 3.75220115766714 | erot = 3.5579033181485 | epot = -12.9385763794564 | etot = -5.62847190364072 +280000 ekin = 3.77561814014481 | erot = 3.35781654492748 | epot = -12.7619065883798 | etot = -5.62847190330748 +281000 ekin = 3.81272927484688 | erot = 3.17409695196514 | epot = -12.6152981298176 | etot = -5.62847190300556 +282000 ekin = 3.86501988036681 | erot = 3.00952640155211 | epot = -12.5030181842056 | etot = -5.62847190228673 +283000 ekin = 3.93628900406797 | erot = 2.86613168182098 | epot = -12.4308925881245 | etot = -5.62847190223551 +284000 ekin = 4.02702703050139 | erot = 2.74480306500245 | epot = -12.4003019979001 | etot = -5.62847190239626 +285000 ekin = 4.14139706639814 | erot = 2.64599110157964 | epot = -12.4158600691639 | etot = -5.62847190118617 +286000 ekin = 4.28525774918039 | erot = 2.56950762489246 | epot = -12.4832372763193 | etot = -5.62847190224644 +287000 ekin = 4.44987555795468 | erot = 2.51493810068274 | epot = -12.5932855609546 | etot = -5.62847190231714 +288000 ekin = 4.63520922264775 | erot = 2.48100112555536 | epot = -12.7446822515452 | etot = -5.62847190334212 +289000 ekin = 4.83125797005639 | erot = 2.4652724153943 | epot = -12.9250022896853 | etot = -5.6284719042346 +290000 ekin = 5.02763799219575 | erot = 2.46542435681702 | epot = -13.121534254098 | etot = -5.62847190508519 +291000 ekin = 5.21465468575977 | erot = 2.47913524144374 | epot = -13.3222618329671 | etot = -5.62847190576361 +292000 ekin = 5.38472348790369 | erot = 2.50416430328839 | epot = -13.51735969743 | etot = -5.62847190623788 +293000 ekin = 5.53302487063098 | erot = 2.53823701976119 | epot = -13.6997337969533 | etot = -5.62847190656113 +294000 ekin = 5.6571870189969 | erot = 2.57877496352786 | epot = -13.8644338893351 | etot = -5.62847190681034 +295000 ekin = 5.75652780496881 | erot = 2.62269919783882 | epot = -14.0076989098361 | etot = -5.62847190702852 +296000 ekin = 5.83139499491733 | erot = 2.66652171228797 | epot = -14.1263886144125 | etot = -5.62847190720725 +297000 ekin = 5.88282356332479 | erot = 2.70675614329949 | epot = -14.2180516139342 | etot = -5.62847190730991 +298000 ekin = 5.91239748765516 | erot = 2.74048494300649 | epot = -14.2813543379702 | etot = -5.62847190730851 +299000 ekin = 5.92208198046778 | erot = 2.76585299301995 | epot = -14.3164068806927 | etot = -5.62847190720493 +300000 ekin = 5.91390942019086 | erot = 2.78233336188545 | epot = -14.3247146891011 | etot = -5.62847190702474 +301000 ekin = 5.8896213351156 | erot = 2.79074353675879 | epot = -14.3088367786682 | etot = -5.62847190679381 +302000 ekin = 5.85048781421211 | erot = 2.79307875791709 | epot = -14.2720384786514 | etot = -5.62847190652216 +303000 ekin = 5.79743517877222 | erot = 2.79223225552598 | epot = -14.2181393405074 | etot = -5.62847190620923 +304000 ekin = 5.73124340760709 | erot = 2.79262915089303 | epot = -14.1523444641631 | etot = -5.62847190566301 +305000 ekin = 5.65258268469921 | erot = 2.79940899091154 | epot = -14.0804635809916 | etot = -5.62847190538089 +306000 ekin = 5.56254653523101 | erot = 2.81503734235134 | epot = -14.00605578274 | etot = -5.62847190515766 +307000 ekin = 5.46251129680718 | erot = 2.84075892386014 | epot = -13.9317421257007 | etot = -5.62847190503342 +308000 ekin = 5.35391293499786 | erot = 2.87633235163981 | epot = -13.8587171916693 | etot = -5.62847190503159 +309000 ekin = 5.23805007411507 | erot = 2.91996940722959 | epot = -13.7864913863796 | etot = -5.62847190503497 +310000 ekin = 5.11613875822329 | erot = 2.96880482959567 | epot = -13.7134154931044 | etot = -5.62847190528541 +311000 ekin = 4.98925852659202 | erot = 3.01839769775167 | epot = -13.6361281298108 | etot = -5.6284719054671 +312000 ekin = 4.85867326622198 | erot = 3.06421411592835 | epot = -13.5513592877717 | etot = -5.62847190562134 +313000 ekin = 4.7258511266738 | erot = 3.10236590329277 | epot = -13.4566889356297 | etot = -5.62847190566309 +314000 ekin = 4.59293421046375 | erot = 3.13002199528385 | epot = -13.3514281113037 | etot = -5.62847190555615 +315000 ekin = 4.46270669971795 | erot = 3.14588950386969 | epot = -13.2370681089047 | etot = -5.62847190531703 +316000 ekin = 4.33845457034513 | erot = 3.15016989317662 | epot = -13.1170963685062 | etot = -5.62847190498448 +317000 ekin = 4.22370149067671 | erot = 3.14429402986777 | epot = -12.9964674251507 | etot = -5.62847190460621 +318000 ekin = 4.12188681801252 | erot = 3.13056754977849 | epot = -12.8809262720161 | etot = -5.62847190422512 +319000 ekin = 4.03607214172537 | erot = 3.1118418278697 | epot = -12.7763858734651 | etot = -5.62847190387006 +320000 ekin = 3.96873641009652 | erot = 3.0912804861179 | epot = -12.6884887997666 | etot = -5.62847190355219 +321000 ekin = 3.9216779737034 | erot = 3.07226107994149 | epot = -12.622410956915 | etot = -5.62847190327009 +322000 ekin = 3.8960097142375 | erot = 3.05833648374731 | epot = -12.582818101012 | etot = -5.62847190302718 +323000 ekin = 3.89216326553317 | erot = 3.05323078720618 | epot = -12.5738659555752 | etot = -5.62847190283586 +324000 ekin = 3.90971752722326 | erot = 3.06065920137963 | epot = -12.5988486316017 | etot = -5.62847190299881 +325000 ekin = 3.944741977687 | erot = 3.08325557843212 | epot = -12.6564694593672 | etot = -5.62847190324807 +326000 ekin = 3.99225791212997 | erot = 3.12131666196629 | epot = -12.7420464778673 | etot = -5.62847190377102 +327000 ekin = 4.04715751819777 | erot = 3.17277573874003 | epot = -12.8484051615109 | etot = -5.62847190457309 +328000 ekin = 4.10306827950154 | erot = 3.23289809101951 | epot = -12.9644382761215 | etot = -5.62847190560047 +329000 ekin = 4.15294077797066 | erot = 3.2946025468715 | epot = -13.0760152315157 | etot = -5.62847190667354 +330000 ekin = 4.19046086378072 | erot = 3.34957314359328 | epot = -13.1685059148756 | etot = -5.62847190750161 +331000 ekin = 4.21187936703765 | erot = 3.38989153266504 | epot = -13.2302428076701 | etot = -5.62847190796743 +332000 ekin = 4.21589857652274 | erot = 3.41075094374518 | epot = -13.2551214281224 | etot = -5.62847190785444 +333000 ekin = 4.20485265998593 | erot = 3.41174399824388 | epot = -13.2450685654239 | etot = -5.62847190719411 +334000 ekin = 4.18435368274547 | erot = 3.39692225043726 | epot = -13.2097478393409 | etot = -5.62847190615821 +335000 ekin = 4.16205455859871 | erot = 3.3736762359357 | epot = -13.1642026995211 | etot = -5.62847190498668 +336000 ekin = 4.14609491419077 | erot = 3.35093309665757 | epot = -13.1254999147522 | etot = -5.62847190390387 +337000 ekin = 4.14364358929869 | erot = 3.33736964605254 | epot = -13.1094851384224 | etot = -5.62847190307115 +338000 ekin = 4.15982493121681 | erot = 3.33968220642343 | epot = -13.1279790403704 | etot = -5.62847190273015 +339000 ekin = 4.19714166714534 | erot = 3.36120406394183 | epot = -13.1868176336935 | etot = -5.6284719026063 +340000 ekin = 4.25518474379736 | erot = 3.4039445653422 | epot = -13.2876012119385 | etot = -5.62847190279896 +341000 ekin = 4.33079125358751 | erot = 3.46797257818016 | epot = -13.4272357350061 | etot = -5.62847190323847 +342000 ekin = 4.41854745257054 | erot = 3.55173943759712 | epot = -13.5987587940142 | etot = -5.62847190384653 +343000 ekin = 4.51153864836739 | erot = 3.65250494550532 | epot = -13.7925154984198 | etot = -5.62847190454714 +344000 ekin = 4.60219231316128 | erot = 3.76671918647902 | epot = -13.9973834048951 | etot = -5.62847190525479 +345000 ekin = 4.68312343518297 | erot = 3.89042211424549 | epot = -14.202017455332 | etot = -5.6284719059035 +346000 ekin = 4.74786790538276 | erot = 4.01955036383839 | epot = -14.3958901756632 | etot = -5.6284719064421 +347000 ekin = 4.79150376884927 | erot = 4.15019529884136 | epot = -14.5701709744857 | etot = -5.62847190679505 +348000 ekin = 4.81117855584513 | erot = 4.27877359764246 | epot = -14.7184240605368 | etot = -5.62847190704922 +349000 ekin = 4.80564918858542 | erot = 4.40205662692117 | epot = -14.8361777226744 | etot = -5.62847190716779 +350000 ekin = 4.77545945328558 | erot = 4.51714564005014 | epot = -14.9210770005288 | etot = -5.62847190719305 +351000 ekin = 4.72262273321771 | erot = 4.62116010888051 | epot = -14.9722547493024 | etot = -5.62847190720414 +352000 ekin = 4.65007958813981 | erot = 4.71078593020459 | epot = -14.9893374256243 | etot = -5.62847190727988 +353000 ekin = 4.56109157465225 | erot = 4.78180335583209 | epot = -14.9713668379471 | etot = -5.62847190746274 +354000 ekin = 4.4587615124644 | erot = 4.82895979646479 | epot = -14.9161932166522 | etot = -5.62847190772303 +355000 ekin = 4.34584612945451 | erot = 4.84663553107757 | epot = -14.8209535684567 | etot = -5.62847190792459 +356000 ekin = 4.22495470320938 | erot = 4.83038190907635 | epot = -14.6838085201751 | etot = -5.62847190788934 +357000 ekin = 4.09903296594824 | erot = 4.77873075092475 | epot = -14.5062356243553 | etot = -5.6284719074823 +358000 ekin = 3.97178667556097 | erot = 4.69444561048368 | epot = -14.2947041927538 | etot = -5.62847190670913 +359000 ekin = 3.84767298929633 | erot = 4.58431182212489 | epot = -14.0604567171737 | etot = -5.62847190575248 +360000 ekin = 3.73136439808897 | erot = 4.45746613156729 | epot = -13.8173024344143 | etot = -5.62847190475803 +361000 ekin = 3.62758093165782 | erot = 4.32379064504613 | epot = -13.5798434807354 | etot = -5.62847190403148 +362000 ekin = 3.54294892307022 | erot = 4.1935809711395 | epot = -13.365001797887 | etot = -5.62847190367726 +363000 ekin = 3.47837311691809 | erot = 4.07207692081944 | epot = -13.1789219412948 | etot = -5.62847190355725 +364000 ekin = 3.43225009806582 | erot = 3.96193194141563 | epot = -13.0226539430685 | etot = -5.62847190358705 +365000 ekin = 3.40198388464006 | erot = 3.86460642705282 | epot = -12.8950622153777 | etot = -5.62847190368484 +366000 ekin = 3.38451833852889 | erot = 3.78104622244719 | epot = -12.7940364647571 | etot = -5.62847190378102 +367000 ekin = 3.37682483158764 | erot = 3.71218000857488 | epot = -12.7174767440037 | etot = -5.62847190384119 +368000 ekin = 3.37625204139108 | erot = 3.65912147822927 | epot = -12.6638454234731 | etot = -5.62847190385279 +369000 ekin = 3.38074636727291 | erot = 3.62312680344584 | epot = -12.6323450745438 | etot = -5.62847190382506 +370000 ekin = 3.38894636699166 | erot = 3.6053885663718 | epot = -12.622806837183 | etot = -5.62847190381957 +371000 ekin = 3.40011634060361 | erot = 3.60672333638014 | epot = -12.6353115807303 | etot = -5.62847190374657 +372000 ekin = 3.41430323563177 | erot = 3.627489202239 | epot = -12.6702643415689 | etot = -5.62847190369811 +373000 ekin = 3.43217624795848 | erot = 3.66740997408432 | epot = -12.7280581255856 | etot = -5.62847190354281 +374000 ekin = 3.45538314686338 | erot = 3.72532070766139 | epot = -12.809175758152 | etot = -5.62847190362724 +375000 ekin = 3.48458983103553 | erot = 3.79950576965714 | epot = -12.9125675044482 | etot = -5.62847190375552 +376000 ekin = 3.51994630863574 | erot = 3.88772077540834 | epot = -13.0361389879692 | etot = -5.62847190392509 +377000 ekin = 3.5616226323945 | erot = 3.98718032086118 | epot = -13.177274857349 | etot = -5.62847190409328 +378000 ekin = 3.61009229019155 | erot = 4.09470007580574 | epot = -13.3332642703012 | etot = -5.62847190430393 +379000 ekin = 3.66621939252169 | erot = 4.20668278515063 | epot = -13.5013740821146 | etot = -5.62847190444224 +380000 ekin = 3.73222313435093 | erot = 4.31893025304478 | epot = -13.6796252922743 | etot = -5.62847190487858 +381000 ekin = 3.80656943723477 | erot = 4.42661769093527 | epot = -13.8616590336205 | etot = -5.62847190545047 +382000 ekin = 3.88594558525976 | erot = 4.52459411504649 | epot = -14.0390116063896 | etot = -5.62847190608333 +383000 ekin = 3.96695089999416 | erot = 4.60747433893969 | epot = -14.2028971456577 | etot = -5.62847190672383 +384000 ekin = 4.04619645067527 | erot = 4.66967915256735 | epot = -14.3443475105389 | etot = -5.62847190729628 +385000 ekin = 4.12092029137381 | erot = 4.70599192061868 | epot = -14.4553841196618 | etot = -5.62847190766929 +386000 ekin = 4.18945537162624 | erot = 4.71237691680559 | epot = -14.5303041965377 | etot = -5.62847190810589 +387000 ekin = 4.24770733745074 | erot = 4.68531871643827 | epot = -14.5614979619431 | etot = -5.62847190805406 +388000 ekin = 4.29400518232462 | erot = 4.62433064765619 | epot = -14.5468077376914 | etot = -5.62847190771056 +389000 ekin = 4.32973751035554 | erot = 4.53230747815954 | epot = -14.4905168956793 | etot = -5.62847190716421 +390000 ekin = 4.35696496432784 | erot = 4.41432356916359 | epot = -14.3997604400599 | etot = -5.62847190656847 +391000 ekin = 4.3776888846099 | erot = 4.27672755002102 | epot = -14.2828883405675 | etot = -5.6284719059366 +392000 ekin = 4.39398588700783 | erot = 4.1262519122643 | epot = -14.1487097046519 | etot = -5.62847190537976 +393000 ekin = 4.40738241118112 | erot = 3.96936593196882 | epot = -14.0052202479731 | etot = -5.62847190482314 +394000 ekin = 4.41937568155392 | erot = 3.81285278688348 | epot = -13.8607003731001 | etot = -5.62847190466274 +395000 ekin = 4.42988768164223 | erot = 3.66065946576554 | epot = -13.7190190519388 | etot = -5.62847190453102 +396000 ekin = 4.43847476589136 | erot = 3.51525603215626 | epot = -13.5822027024392 | etot = -5.62847190439154 +397000 ekin = 4.44517728396981 | erot = 3.37891512777666 | epot = -13.452564315963 | etot = -5.62847190421658 +398000 ekin = 4.45064950025928 | erot = 3.25392386318185 | epot = -13.3330452674375 | etot = -5.62847190399633 +399000 ekin = 4.45613851377312 | erot = 3.14269651880435 | epot = -13.2273069363759 | etot = -5.62847190379848 +400000 ekin = 4.4629760830569 | erot = 3.04745583063513 | epot = -13.1389038172371 | etot = -5.62847190354509 +401000 ekin = 4.4727554600177 | erot = 2.97053701408792 | epot = -13.0717643774651 | etot = -5.62847190335951 +402000 ekin = 4.48672336701277 | erot = 2.9139652257742 | epot = -13.0291604961274 | etot = -5.62847190334044 +403000 ekin = 4.50482841072929 | erot = 2.87870251806416 | epot = -13.0120028324087 | etot = -5.62847190361521 +404000 ekin = 4.52484325731466 | erot = 2.86379686211144 | epot = -13.0171120236776 | etot = -5.62847190425147 +405000 ekin = 4.54178669954817 | erot = 2.86535120565175 | epot = -13.0356098106769 | etot = -5.62847190547696 +406000 ekin = 4.548121869793 | erot = 2.87565623450054 | epot = -13.0522500108902 | etot = -5.62847190659667 +407000 ekin = 4.5356776566473 | erot = 2.88781666330103 | epot = -13.0519662273702 | etot = -5.62847190742183 +408000 ekin = 4.49806839875348 | erot = 2.89717319271638 | epot = -13.0237134991196 | etot = -5.62847190764973 +409000 ekin = 4.43289041828495 | erot = 2.90293173426126 | epot = -12.964294059822 | etot = -5.62847190727577 +410000 ekin = 4.34222243515046 | erot = 2.90784571760188 | epot = -12.8785400592982 | etot = -5.62847190654581 +411000 ekin = 4.23122328985371 | erot = 2.91632332326885 | epot = -12.7760185189177 | etot = -5.62847190579514 +412000 ekin = 4.10591302472413 | erot = 2.93234263222559 | epot = -12.6667275621851 | etot = -5.62847190523541 +413000 ekin = 3.97147909139413 | erot = 2.95826875334524 | epot = -12.5582197496453 | etot = -5.62847190490591 +414000 ekin = 3.83169645331915 | erot = 2.99487215437287 | epot = -12.4550405124353 | etot = -5.62847190474325 +415000 ekin = 3.68915556889385 | erot = 3.04191716150782 | epot = -12.359544635067 | etot = -5.62847190466537 +416000 ekin = 3.54575553260018 | erot = 3.09878213610913 | epot = -12.2730095733214 | etot = -5.62847190461212 +417000 ekin = 3.40315271148718 | erot = 3.16484246789781 | epot = -12.196467083937 | etot = -5.62847190455201 +418000 ekin = 3.26306253875512 | erot = 3.23960054552672 | epot = -12.1311349887548 | etot = -5.62847190447298 +419000 ekin = 3.12743539448039 | erot = 3.32265867810423 | epot = -12.0785659769574 | etot = -5.62847190437282 +420000 ekin = 2.9985468524975 | erot = 3.41362396345008 | epot = -12.0406427202035 | etot = -5.6284719042559 +421000 ekin = 2.87901712493616 | erot = 3.51197880379036 | epot = -12.0194678328627 | etot = -5.62847190413618 +422000 ekin = 2.77174596053191 | erot = 3.61690112203592 | epot = -12.0171189866093 | etot = -5.62847190404144 +423000 ekin = 2.67973794665325 | erot = 3.72700827486708 | epot = -12.0352181255352 | etot = -5.62847190401484 +424000 ekin = 2.60579870929048 | erot = 3.84002717528967 | epot = -12.0742977886928 | etot = -5.62847190411264 +425000 ekin = 2.55208954527575 | erot = 3.9524416789396 | epot = -12.1330031286141 | etot = -5.62847190439877 +426000 ekin = 2.51954653044551 | erot = 4.05920212807816 | epot = -12.2072205634536 | etot = -5.6284719049299 +427000 ekin = 2.50725893890309 | erot = 4.15363681830485 | epot = -12.289367662923 | etot = -5.62847190571505 +428000 ekin = 2.51210485174572 | erot = 4.22782399614682 | epot = -12.3684007545421 | etot = -5.62847190664956 +429000 ekin = 2.52911833232282 | erot = 4.27377369072579 | epot = -12.431363930529 | etot = -5.62847190748043 +430000 ekin = 2.55284926699967 | erot = 4.28551618826859 | epot = -12.4668373631572 | etot = -5.62847190788893 +431000 ekin = 2.57924139418917 | erot = 4.26142412036958 | epot = -12.4691374222417 | etot = -5.62847190768295 +432000 ekin = 2.60692475465698 | erot = 4.20541068246245 | epot = -12.4408073440566 | etot = -5.62847190693718 +433000 ekin = 2.63712842981307 | erot = 4.12604912501233 | epot = -12.3916494607613 | etot = -5.62847190593589 +434000 ekin = 2.67245542240352 | erot = 4.0340594892126 | epot = -12.3349868166048 | etot = -5.62847190498869 +435000 ekin = 2.7154385463927 | erot = 3.93961255970769 | epot = -12.2835230103846 | etot = -5.62847190428426 +436000 ekin = 2.76760991340479 | erot = 3.85063248523264 | epot = -12.2467143025142 | etot = -5.62847190387679 +437000 ekin = 2.82920515670504 | erot = 3.77223859650537 | epot = -12.2299156569372 | etot = -5.62847190372677 +438000 ekin = 2.89929820057594 | erot = 3.70707509975274 | epot = -12.2348452040968 | etot = -5.62847190376813 +439000 ekin = 2.97609334154046 | erot = 3.65590372389231 | epot = -12.2604689693734 | etot = -5.62847190394063 +440000 ekin = 3.05720906611473 | erot = 3.61815200784066 | epot = -12.3038329781562 | etot = -5.62847190420078 +441000 ekin = 3.13989672827454 | erot = 3.59232302399881 | epot = -12.3606916567915 | etot = -5.62847190451817 +442000 ekin = 3.22119927517245 | erot = 3.57626892520201 | epot = -12.4259401052482 | etot = -5.6284719048737 +443000 ekin = 3.29807867300703 | erot = 3.56737972996171 | epot = -12.4939303082161 | etot = -5.62847190524735 +444000 ekin = 3.36753883942798 | erot = 3.56276348927507 | epot = -12.5587742343218 | etot = -5.62847190561877 +445000 ekin = 3.42676046580105 | erot = 3.55942025919011 | epot = -12.6146526309568 | etot = -5.62847190596565 +446000 ekin = 3.47324383646181 | erot = 3.55443462308996 | epot = -12.6561503658209 | etot = -5.62847190626911 +447000 ekin = 3.5049735437584 | erot = 3.54511419619662 | epot = -12.6785596464618 | etot = -5.62847190650676 +448000 ekin = 3.52056213083121 | erot = 3.52974100709951 | epot = -12.6787750444512 | etot = -5.62847190652048 +449000 ekin = 3.51939696590914 | erot = 3.50705904510649 | epot = -12.6549279176213 | etot = -5.62847190660565 +450000 ekin = 3.50164536053693 | erot = 3.47565071065462 | epot = -12.6057679777917 | etot = -5.62847190660012 +451000 ekin = 3.46824790708062 | erot = 3.43472151201885 | epot = -12.5314413256013 | etot = -5.62847190650187 +452000 ekin = 3.42090312737136 | erot = 3.38414558728552 | epot = -12.4335206209692 | etot = -5.62847190631236 +453000 ekin = 3.36201791829034 | erot = 3.32449206044573 | epot = -12.3149818847727 | etot = -5.62847190603659 +454000 ekin = 3.29463316061277 | erot = 3.25701739818176 | epot = -12.180122464479 | etot = -5.62847190568451 +455000 ekin = 3.2223327489955 | erot = 3.18360703275921 | epot = -12.0344116870245 | etot = -5.62847190526976 +456000 ekin = 3.14914248629495 | erot = 3.10666992197183 | epot = -11.884284313078 | etot = -5.62847190481121 +457000 ekin = 3.07939737173802 | erot = 3.02894564057692 | epot = -11.7368149166547 | etot = -5.6284719043398 +458000 ekin = 3.01756413268755 | erot = 2.95322108561829 | epot = -11.5992571221579 | etot = -5.62847190385206 +459000 ekin = 2.9681063252435 | erot = 2.88249754735552 | epot = -11.4790757760042 | etot = -5.62847190340517 +460000 ekin = 2.93513889003432 | erot = 2.81955267520424 | epot = -11.3831634682736 | etot = -5.62847190303502 +461000 ekin = 2.92205746388812 | erot = 2.76669234907634 | epot = -11.3172217157442 | etot = -5.62847190277971 +462000 ekin = 2.93114290150651 | erot = 2.72556812595624 | epot = -11.2851829301355 | etot = -5.62847190267276 +463000 ekin = 2.96319319680456 | erot = 2.69703193761406 | epot = -11.2886970371553 | etot = -5.6284719027367 +464000 ekin = 3.01726238569007 | erot = 2.6810561513032 | epot = -11.3267904399689 | etot = -5.62847190297563 +465000 ekin = 3.09058398932397 | erot = 2.67674994759312 | epot = -11.3958058402875 | etot = -5.62847190337041 +466000 ekin = 3.17872270900452 | erot = 2.68248866700631 | epot = -11.4896832798918 | etot = -5.628471903881 +467000 ekin = 3.27594114496212 | erot = 2.69614045585922 | epot = -11.6005535052767 | etot = -5.62847190445533 +468000 ekin = 3.37571282133829 | erot = 2.71534026240541 | epot = -11.7195249887838 | etot = -5.62847190504008 +469000 ekin = 3.47128178262645 | erot = 2.73774679763611 | epot = -11.8375004858531 | etot = -5.62847190559053 +470000 ekin = 3.55617737698791 | erot = 2.76123628661821 | epot = -11.9458855696808 | etot = -5.62847190607467 +471000 ekin = 3.62463309399226 | erot = 2.78402790004387 | epot = -12.0371329005057 | etot = -5.62847190646961 +472000 ekin = 3.67190559891852 | erot = 2.80477124779255 | epot = -12.1051487534684 | etot = -5.62847190675733 +473000 ekin = 3.69451868440228 | erot = 2.82263116141548 | epot = -12.1456217527386 | etot = -5.62847190692079 +474000 ekin = 3.69045746330599 | erot = 2.83737882569196 | epot = -12.1563081959442 | etot = -5.62847190694626 +475000 ekin = 3.65932116349867 | erot = 2.84946541727501 | epot = -12.1372584875992 | etot = -5.62847190682555 +476000 ekin = 3.60242486137696 | erot = 2.86004016499145 | epot = -12.0909369329289 | etot = -5.62847190656049 +477000 ekin = 3.52282746239093 | erot = 2.87088465735982 | epot = -12.0221840259131 | etot = -5.62847190616239 +478000 ekin = 3.42525452629137 | erot = 2.88424967270433 | epot = -11.9379761046622 | etot = -5.62847190566652 +479000 ekin = 3.31588349738284 | erot = 2.90254646896319 | epot = -11.8469018714627 | etot = -5.62847190511672 +480000 ekin = 3.20192949245114 | erot = 2.92801081390706 | epot = -11.7584122109372 | etot = -5.62847190457903 +481000 ekin = 3.09102106839942 | erot = 2.96227510040326 | epot = -11.6817680729367 | etot = -5.62847190413407 +482000 ekin = 2.99039932400416 | erot = 3.00590839368512 | epot = -11.6247796215536 | etot = -5.6284719038643 +483000 ekin = 2.9060569334364 | erot = 3.05799802963363 | epot = -11.5925268669061 | etot = -5.62847190383611 +484000 ekin = 2.84200171523445 | erot = 3.11586840862564 | epot = -11.5863420279393 | etot = -5.62847190407919 +485000 ekin = 2.81072036467391 | erot = 3.03665546466979 | epot = -11.4758477218808 | etot = -5.62847189253711 +486000 ekin = 2.99172671785403 | erot = 2.89028588609215 | epot = -11.5104845146741 | etot = -5.62847191072794 +487000 ekin = 3.04661020879821 | erot = 2.89516257155408 | epot = -11.5702446859866 | etot = -5.62847190563434 +488000 ekin = 3.0281344545853 | erot = 2.91755814175983 | epot = -11.5741645018805 | etot = -5.62847190553541 +489000 ekin = 3.02918173186106 | erot = 2.9470327434341 | epot = -11.6046863808974 | etot = -5.62847190560225 +490000 ekin = 3.04920929971604 | erot = 2.98299921440123 | epot = -11.6606804199382 | etot = -5.62847190582094 +491000 ekin = 3.08564623418558 | erot = 3.02458607703473 | epot = -11.7387042173397 | etot = -5.62847190611936 +492000 ekin = 3.13426650211461 | erot = 3.07113014039408 | epot = -11.8338685489468 | etot = -5.62847190643812 +493000 ekin = 3.19024782352769 | erot = 3.12246736377737 | epot = -11.9411870939511 | etot = -5.628471906646 +494000 ekin = 3.24418110398504 | erot = 3.17757093527581 | epot = -12.0502240477778 | etot = -5.62847200851693 +495000 ekin = 3.12930691881382 | erot = 3.12025770004709 | epot = -11.8780365336897 | etot = -5.62847191482878 +496000 ekin = 3.38154400853442 | erot = 3.12702216684199 | epot = -12.1370381395859 | etot = -5.62847196420953 +497000 ekin = 3.537963343002 | erot = 3.21345240187732 | epot = -12.3798876661165 | etot = -5.6284719212372 +498000 ekin = 3.54725242241252 | erot = 3.31274815698128 | epot = -12.4884725006486 | etot = -5.62847192125477 +499000 ekin = 3.54686752389262 | erot = 3.42936350675123 | epot = -12.60470295199 | etot = -5.62847192134617 +500000 ekin = 3.53611629140885 | erot = 3.56214471852909 | epot = -12.7267329314508 | etot = -5.62847192151286 +501000 ekin = 3.51474019580975 | erot = 3.70831240066885 | epot = -12.8515245182369 | etot = -5.62847192175835 +502000 ekin = 3.48291543614181 | erot = 3.86351597862781 | epot = -12.9749033367607 | etot = -5.62847192199109 +503000 ekin = 3.44167367981676 | erot = 4.02200657200069 | epot = -13.0921521741653 | etot = -5.62847192234785 +504000 ekin = 3.39166561935593 | erot = 4.17733332047377 | epot = -13.1974708625707 | etot = -5.62847192274099 +505000 ekin = 3.33344269448486 | erot = 4.32266370132234 | epot = -13.2845783189393 | etot = -5.62847192313209 +506000 ekin = 3.26726906277248 | erot = 4.4515776416869 | epot = -13.3473186278588 | etot = -5.62847192339945 +507000 ekin = 3.1938836164723 | erot = 4.55898983234052 | epot = -13.3813453722982 | etot = -5.62847192348535 +508000 ekin = 3.11462724046553 | erot = 4.6420740647643 | epot = -13.3851732285644 | etot = -5.62847192333461 +509000 ekin = 3.03154551887398 | erot = 4.70083202647774 | epot = -13.3608494683075 | etot = -5.62847192295578 +510000 ekin = 2.94513058608832 | erot = 4.73730594225484 | epot = -13.3109084508294 | etot = -5.62847192248619 +511000 ekin = 2.85640718491609 | erot = 4.75516581385376 | epot = -13.2400449206913 | etot = -5.62847192192149 +512000 ekin = 2.76854482522115 | erot = 4.75962991525362 | epot = -13.1566466618396 | etot = -5.62847192136479 +513000 ekin = 2.68465921480016 | erot = 4.75599513195583 | epot = -13.0691262676546 | etot = -5.62847192089856 +514000 ekin = 2.60745568311009 | erot = 4.7487016866022 | epot = -12.9846292902954 | etot = -5.62847192058309 +515000 ekin = 2.53899080260848 | erot = 4.74082869238206 | epot = -12.9082914153961 | etot = -5.62847192040556 +516000 ekin = 2.48057862893556 | erot = 4.73416754061951 | epot = -12.8432180899117 | etot = -5.62847192035661 +517000 ekin = 2.43281299017177 | erot = 4.72933651070505 | epot = -12.79062142128 | etot = -5.62847192040314 +518000 ekin = 2.39567246197795 | erot = 4.72611868192558 | epot = -12.7502630644083 | etot = -5.62847192050478 +519000 ekin = 2.36868008074725 | erot = 4.72386163456341 | epot = -12.7210136359311 | etot = -5.62847192062046 +520000 ekin = 2.3510906802942 | erot = 4.72186744275436 | epot = -12.7014300437633 | etot = -5.62847192071475 +521000 ekin = 2.3420742612211 | erot = 4.7197022769944 | epot = -12.6902484589817 | etot = -5.62847192076616 +522000 ekin = 2.34085858395192 | erot = 4.71735113727184 | epot = -12.6866816419969 | etot = -5.62847192077317 +523000 ekin = 2.34541603963969 | erot = 4.65571671267266 | epot = -12.6296046827942 | etot = -5.62847193048181 +524000 ekin = 2.39460269537711 | erot = 4.54409239674616 | epot = -12.567167012402 | etot = -5.62847192027872 +525000 ekin = 2.51755565344997 | erot = 4.49060445323463 | epot = -12.636632032409 | etot = -5.62847192572444 +526000 ekin = 2.63891940337868 | erot = 4.49670026128235 | epot = -12.7640916024463 | etot = -5.62847193778531 +527000 ekin = 2.68130557078117 | erot = 4.50503337377532 | epot = -12.8148108746503 | etot = -5.62847193009386 +528000 ekin = 2.71450795010731 | erot = 4.51098798631249 | epot = -12.8539678666136 | etot = -5.62847193019376 +529000 ekin = 2.74727192394566 | erot = 4.51402301144395 | epot = -12.8897668656534 | etot = -5.62847193026377 +530000 ekin = 2.77952118314857 | erot = 4.5125666625393 | epot = -12.920559775978 | etot = -5.62847193029009 +531000 ekin = 2.81130699779759 | erot = 4.50555264767733 | epot = -12.9453315757438 | etot = -5.62847193026884 +532000 ekin = 2.84274553228349 | erot = 4.4925310698098 | epot = -12.963748532302 | etot = -5.62847193020875 +533000 ekin = 2.87393313770274 | erot = 4.47361780233943 | epot = -12.9760228701721 | etot = -5.62847193012992 +534000 ekin = 2.90486933807934 | erot = 4.44928844616361 | epot = -12.9826297142984 | etot = -5.62847193005544 +535000 ekin = 2.93541519865155 | erot = 4.42010482065011 | epot = -12.9839919493031 | etot = -5.62847193000139 +536000 ekin = 2.96529830147131 | erot = 4.38649798395495 | epot = -12.9802682153984 | etot = -5.62847192997214 +537000 ekin = 2.99415467149918 | erot = 4.34867665836394 | epot = -12.9713032598154 | etot = -5.62847192995229 +538000 ekin = 3.02158801647836 | erot = 4.30669342609989 | epot = -12.9567533725302 | etot = -5.62847192995193 +539000 ekin = 3.04722844371598 | erot = 4.26048951905692 | epot = -12.9361898927208 | etot = -5.62847192994795 +540000 ekin = 3.07077963641776 | erot = 4.21000980479747 | epot = -12.9092613711463 | etot = -5.62847192993109 +541000 ekin = 3.09204730614533 | erot = 4.15535061586808 | epot = -12.8758698519099 | etot = -5.62847192989645 +542000 ekin = 3.11094831331283 | erot = 4.09682671839993 | epot = -12.8362469615563 | etot = -5.62847192984357 +543000 ekin = 3.12750284880657 | erot = 4.03499383132477 | epot = -12.7909686099064 | etot = -5.62847192977506 +544000 ekin = 3.14181233916006 | erot = 3.9706269262205 | epot = -12.7409111950808 | etot = -5.62847192970023 +545000 ekin = 3.15402369276438 | erot = 3.90462208418148 | epot = -12.687117706573 | etot = -5.62847192962714 +546000 ekin = 3.16427777375903 | erot = 3.83809465728676 | epot = -12.6308443606047 | etot = -5.62847192955896 +547000 ekin = 3.17263245313991 | erot = 3.77248542238505 | epot = -12.5735898050567 | etot = -5.62847192953171 +548000 ekin = 3.17905114126804 | erot = 3.70842416476335 | epot = -12.5159472355704 | etot = -5.628471929539 +549000 ekin = 3.18335924851645 | erot = 3.64619443423877 | epot = -12.4580256122943 | etot = -5.6284719295391 +550000 ekin = 3.18506506659374 | erot = 3.58603484429188 | epot = -12.3995718405387 | etot = -5.62847192965304 +551000 ekin = 3.18354118865872 | erot = 3.52751972614777 | epot = -12.3395328445982 | etot = -5.62847192979176 +552000 ekin = 3.17814056099981 | erot = 3.46973317229041 | epot = -12.2763456632234 | etot = -5.62847192993316 +553000 ekin = 3.16816249048265 | erot = 3.41187716293338 | epot = -12.2085115834605 | etot = -5.62847193004443 +554000 ekin = 3.15297464057207 | erot = 3.35363386892335 | epot = -12.1350804395834 | etot = -5.62847193008797 +555000 ekin = 3.1321806554361 | erot = 3.29554931591194 | epot = -12.0562019013774 | etot = -5.62847193002936 +556000 ekin = 3.10581995745121 | erot = 3.23932890454018 | epot = -11.9736207918375 | etot = -5.62847192984613 +557000 ekin = 3.07457883900155 | erot = 3.18795403306842 | epot = -11.8910048016006 | etot = -5.62847192953059 +558000 ekin = 3.03998262656473 | erot = 3.14553707334837 | epot = -11.8139916290222 | etot = -5.62847192910913 +559000 ekin = 3.0045037898859 | erot = 3.11693712835399 | epot = -11.7499128468212 | etot = -5.62847192858133 +560000 ekin = 2.97145203626831 | erot = 3.10758181984132 | epot = -11.7075057841324 | etot = -5.62847192802278 +561000 ekin = 2.94451934106521 | erot = 3.12267269751328 | epot = -11.695663966143 | etot = -5.6284719275645 +562000 ekin = 2.92714140962176 | erot = 3.16633554918931 | epot = -11.7219488860595 | etot = -5.62847192724847 +563000 ekin = 2.92206147630413 | erot = 3.24077054349539 | epot = -11.7913039469992 | etot = -5.62847192719971 +564000 ekin = 2.93031627658954 | erot = 3.34563410950147 | epot = -11.9044223135914 | etot = -5.62847192750039 +565000 ekin = 2.95068712295411 | erot = 3.47751232956699 | epot = -12.0566713806754 | etot = -5.62847192815435 +566000 ekin = 2.97962685524118 | erot = 3.62985521349866 | epot = -12.2379539978653 | etot = -5.62847192912545 +567000 ekin = 3.0117159357824 | erot = 3.79324477331537 | epot = -12.4334326394135 | etot = -5.62847193031574 +568000 ekin = 3.04054477450319 | erot = 3.95610049167747 | epot = -12.6251171977687 | etot = -5.62847193158806 +569000 ekin = 3.05981811082524 | erot = 4.10576505730328 | epot = -12.7940551009116 | etot = -5.62847193278313 +570000 ekin = 3.06446758301559 | erot = 4.22987220707428 | epot = -12.9228117238313 | etot = -5.62847193374141 +571000 ekin = 3.0515919104533 | erot = 4.31782950105801 | epot = -12.9978933458373 | etot = -5.62847193432598 +572000 ekin = 3.02108996843848 | erot = 4.36217384042166 | epot = -13.0117357433083 | etot = -5.62847193444813 +573000 ekin = 2.97589592650755 | erot = 4.35953364448391 | epot = -12.9639015050779 | etot = -5.62847193408648 +574000 ekin = 2.92177260951733 | erot = 4.31098813649777 | epot = -12.8612326793134 | etot = -5.62847193329834 +575000 ekin = 2.86675845149345 | erot = 4.22206447606537 | epot = -12.7172948575968 | etot = -5.62847193003794 +576000 ekin = 2.82238695046887 | erot = 4.11002108703335 | epot = -12.5608799670193 | etot = -5.62847192951707 +577000 ekin = 2.79586021289829 | erot = 3.98405314237152 | epot = -12.4083852843567 | etot = -5.62847192908693 +578000 ekin = 2.79062678649988 | erot = 3.84816173903585 | epot = -12.2672604543832 | etot = -5.62847192884748 +579000 ekin = 2.80727876765194 | erot = 3.7063076840155 | epot = -12.1420583804986 | etot = -5.6284719288312 +580000 ekin = 2.84308800283874 | erot = 3.56147502226538 | epot = -12.0330349544021 | etot = -5.62847192929796 +581000 ekin = 2.8927594516754 | erot = 3.41677708041289 | epot = -11.9380084614607 | etot = -5.62847192937237 +582000 ekin = 2.94948274096193 | erot = 3.27852635633959 | epot = -11.8564810267434 | etot = -5.62847192944192 +583000 ekin = 3.00600312777781 | erot = 3.15339507870142 | epot = -11.7878701359047 | etot = -5.62847192942545 +584000 ekin = 3.05615870299363 | erot = 3.04800743036146 | epot = -11.7326380626562 | etot = -5.62847192930113 +585000 ekin = 3.09596263905195 | erot = 2.96828908155839 | epot = -11.6927236497015 | etot = -5.62847192909114 +586000 ekin = 3.12407298196409 | erot = 2.91878541592703 | epot = -11.6713303267181 | etot = -5.62847192882701 +587000 ekin = 3.1417461421883 | erot = 2.90225430097043 | epot = -11.6724723716963 | etot = -5.62847192853757 +588000 ekin = 3.15240031621057 | erot = 2.91960613647359 | epot = -11.7004783809454 | etot = -5.62847192826126 +589000 ekin = 3.16081808256559 | erot = 2.97006448179299 | epot = -11.7593544923991 | etot = -5.62847192804055 +590000 ekin = 3.17204827386215 | erot = 3.05134069933582 | epot = -11.851860901114 | etot = -5.62847192791604 +591000 ekin = 3.19150299841088 | erot = 3.16015018739589 | epot = -11.9801251137996 | etot = -5.62847192799281 +592000 ekin = 3.22264872305427 | erot = 3.2920405752428 | epot = -12.1431612266149 | etot = -5.6284719283178 +593000 ekin = 3.26585695466861 | erot = 3.44092346947024 | epot = -12.335252352998 | etot = -5.62847192885916 +594000 ekin = 3.31918005199199 | erot = 3.59965335611017 | epot = -12.5473053376671 | etot = -5.62847192956493 +595000 ekin = 3.37897127086391 | erot = 3.76045843951842 | epot = -12.7679016406725 | etot = -5.62847193029017 +596000 ekin = 3.43824068582474 | erot = 3.91359738336251 | epot = -12.9803100018126 | etot = -5.62847193262531 +597000 ekin = 3.48744876802135 | erot = 4.0478243787173 | epot = -13.1637450799978 | etot = -5.62847193325914 +598000 ekin = 3.52187002174283 | erot = 4.15698580436678 | epot = -13.307327759723 | etot = -5.62847193361335 +599000 ekin = 3.53831455076447 | erot = 4.23767846722027 | epot = -13.4044649516698 | etot = -5.62847193368508 +600000 ekin = 3.53510970434128 | erot = 4.28920847115898 | epot = -13.4527901090173 | etot = -5.62847193351703 +601000 ekin = 3.51191041821579 | erot = 4.31320178205608 | epot = -13.4535841334509 | etot = -5.62847193317902 +602000 ekin = 3.46937521149507 | erot = 4.31295152750157 | epot = -13.4107986717423 | etot = -5.62847193274563 +603000 ekin = 3.4088222124387 | erot = 4.29270411938567 | epot = -13.3299982641027 | etot = -5.62847193227831 +604000 ekin = 3.33194570984168 | erot = 4.25705245873742 | epot = -13.2174701003966 | etot = -5.62847193181754 +605000 ekin = 3.2406264378913 | erot = 4.21052248047251 | epot = -13.0796208497473 | etot = -5.62847193138353 +606000 ekin = 3.13683319326865 | erot = 4.15735875804854 | epot = -12.9226638822973 | etot = -5.62847193098009 +607000 ekin = 3.02259481110688 | erot = 4.10146703780694 | epot = -12.7525337795153 | etot = -5.62847193060149 +608000 ekin = 2.90001652261395 | erot = 4.04645475164202 | epot = -12.5749432044933 | etot = -5.6284719302373 +609000 ekin = 2.77131728809351 | erot = 3.99571460788032 | epot = -12.3955038258513 | etot = -5.62847192987747 +610000 ekin = 2.63886938891702 | erot = 3.95250622998014 | epot = -12.2198475484129 | etot = -5.62847192951569 +611000 ekin = 2.50524882251801 | erot = 3.920032937849 | epot = -12.053753689229 | etot = -5.62847192886197 +612000 ekin = 2.37382087283167 | erot = 3.90218869860999 | epot = -11.9044814999747 | etot = -5.62847192853301 +613000 ekin = 2.24769613365103 | erot = 3.90186788756939 | epot = -11.7780359494445 | etot = -5.62847192822403 +614000 ekin = 2.12975142865347 | erot = 3.92103062122306 | epot = -11.6792539778537 | etot = -5.62847192797718 +615000 ekin = 2.02283676466854 | erot = 3.96080056836513 | epot = -11.6121092608611 | etot = -5.6284719278274 +616000 ekin = 1.92967019047414 | erot = 4.02099162192593 | epot = -11.5791337402076 | etot = -5.62847192780754 +617000 ekin = 1.85273791862989 | erot = 4.099744744135 | epot = -11.5809545907117 | etot = -5.62847192794679 +618000 ekin = 1.7942029629718 | erot = 4.19322703631862 | epot = -11.6159019275489 | etot = -5.6284719282585 +619000 ekin = 1.75583197431074 | erot = 4.29552606656025 | epot = -11.6798299695989 | etot = -5.62847192872788 +620000 ekin = 1.73895870101793 | erot = 4.39891672383331 | epot = -11.7663473541522 | etot = -5.62847192930098 +621000 ekin = 1.74449834720697 | erot = 4.49462250674119 | epot = -11.8675927838345 | etot = -5.62847192988636 +622000 ekin = 1.77300875733458 | erot = 4.57403518100206 | epot = -11.9755158687144 | etot = -5.62847193037778 +623000 ekin = 1.82476626673924 | erot = 4.63011744403992 | epot = -12.0833556414698 | etot = -5.62847193069065 +624000 ekin = 1.89980556105245 | erot = 4.65854151402706 | epot = -12.1868190058735 | etot = -5.628471930794 +625000 ekin = 1.99788931017694 | erot = 4.65817060170441 | epot = -12.2845318425975 | etot = -5.62847193071619 +626000 ekin = 2.11841939018701 | erot = 4.63077870093506 | epot = -12.3776700216461 | etot = -5.628471930524 +627000 ekin = 2.26034340511523 | erot = 4.5802426839639 | epot = -12.4690580193665 | etot = -5.6284719302874 +628000 ekin = 2.42211143994082 | erot = 4.51161612051721 | epot = -12.5621994905184 | etot = -5.62847193006037 +629000 ekin = 2.60047669423503 | erot = 4.43316974506441 | epot = -12.6621183686995 | etot = -5.62847192940005 +630000 ekin = 2.75035749006496 | erot = 4.31003905739293 | epot = -12.6888685131607 | etot = -5.62847196570277 +631000 ekin = 2.81471524145153 | erot = 4.1177453598379 | epot = -12.5609325370485 | etot = -5.62847193575907 +632000 ekin = 2.95867552227146 | erot = 4.07926707213495 | epot = -12.6664145272728 | etot = -5.62847193286638 +633000 ekin = 3.21010693605695 | erot = 4.20581326830098 | epot = -13.0443921664311 | etot = -5.62847196207314 +634000 ekin = 3.41641131502396 | erot = 4.25928215928574 | epot = -13.3041654106762 | etot = -5.6284719363665 +635000 ekin = 3.57385274076439 | erot = 4.24018711600146 | epot = -13.4425117939027 | etot = -5.62847193713684 +636000 ekin = 3.71894531192015 | erot = 4.21896102702093 | epot = -13.5663782769141 | etot = -5.62847193797298 +637000 ekin = 3.84555962846069 | erot = 4.19009538991242 | epot = -13.6641269570415 | etot = -5.62847193866843 +638000 ekin = 3.94874232720897 | erot = 4.14881281924716 | epot = -13.7260270854934 | etot = -5.62847193903727 +639000 ekin = 4.02564653197239 | erot = 4.09271382118292 | epot = -13.7468322921586 | etot = -5.62847193900331 +640000 ekin = 4.07582551362717 | erot = 4.02260436117536 | epot = -13.7269018134182 | etot = -5.62847193861568 +641000 ekin = 4.10019063758673 | erot = 3.94203419565371 | epot = -13.670696771703 | etot = -5.62847193846252 +642000 ekin = 4.09923585986421 | erot = 3.85569636510016 | epot = -13.5834041628477 | etot = -5.62847193788336 +643000 ekin = 4.07616079969331 | erot = 3.76850329633298 | epot = -13.4731360333853 | etot = -5.62847193735897 +644000 ekin = 4.03483546293706 | erot = 3.68428538411615 | epot = -13.3475927839978 | etot = -5.62847193694458 +645000 ekin = 3.97939693520722 | erot = 3.60521279246359 | epot = -13.2130816642939 | etot = -5.62847193662304 +646000 ekin = 3.91424157378713 | erot = 3.53197746515019 | epot = -13.0746909752778 | etot = -5.62847193634044 +647000 ekin = 3.84412108338865 | erot = 3.46430751174276 | epot = -12.936900531313 | etot = -5.62847193618156 +648000 ekin = 3.77442093435187 | erot = 3.40030625097309 | epot = -12.803199121189 | etot = -5.62847193586402 +649000 ekin = 3.71064844389534 | erot = 3.33902116858815 | epot = -12.6781415480255 | etot = -5.62847193554202 +650000 ekin = 3.65777288951916 | erot = 3.28036981758716 | epot = -12.5666146423759 | etot = -5.62847193526958 +651000 ekin = 3.61962254745685 | erot = 3.22458240432363 | epot = -12.4726768868735 | etot = -5.62847193509302 +652000 ekin = 3.59838866978257 | erot = 3.17201593042838 | epot = -12.3988765352415 | etot = -5.62847193503051 +653000 ekin = 3.59447660060613 | erot = 3.12302902489282 | epot = -12.3459775605645 | etot = -5.62847193506556 +654000 ekin = 3.60674141926014 | erot = 3.07797678374685 | epot = -12.3131901381652 | etot = -5.62847193515817 +655000 ekin = 3.6329884132142 | erot = 3.0372849708598 | epot = -12.298745319343 | etot = -5.62847193526905 +656000 ekin = 3.67052655540377 | erot = 3.00147990310302 | epot = -12.3004783938925 | etot = -5.62847193538567 +657000 ekin = 3.71734630717454 | erot = 2.97084073566211 | epot = -12.3166589782294 | etot = -5.62847193539274 +658000 ekin = 3.75778663127986 | erot = 2.94872940878028 | epot = -12.3349879988478 | etot = -5.62847195878767 +659000 ekin = 3.70128994140422 | erot = 2.99267200720399 | epot = -12.322433884335 | etot = -5.62847193572677 +660000 ekin = 3.77980484716758 | erot = 3.05081678620785 | epot = -12.4590935974502 | etot = -5.62847196407474 +661000 ekin = 3.87674047159649 | erot = 3.02043722452879 | epot = -12.525649641487 | etot = -5.62847194536175 +662000 ekin = 3.96189665337338 | erot = 2.97294510662666 | epot = -12.5633137063048 | etot = -5.62847194630474 +663000 ekin = 4.03233992144667 | erot = 2.90724728966555 | epot = -12.5680591574414 | etot = -5.62847194632914 +664000 ekin = 4.08703350805977 | erot = 2.82371074123732 | epot = -12.5392161951071 | etot = -5.62847194581 +665000 ekin = 4.13016908297309 | erot = 2.72591755760502 | epot = -12.4845585856306 | etot = -5.62847194505245 +666000 ekin = 4.16485763713769 | erot = 2.62158318056703 | epot = -12.4149127617789 | etot = -5.62847194407414 +667000 ekin = 4.19388444252446 | erot = 2.52048046546624 | epot = -12.3428368513066 | etot = -5.62847194331587 +668000 ekin = 4.21970111382924 | erot = 2.43117566525611 | epot = -12.2793487218498 | etot = -5.62847194276442 +669000 ekin = 4.24419480080694 | erot = 2.35970998739347 | epot = -12.2323767306056 | etot = -5.62847194240515 +670000 ekin = 4.26650932858638 | erot = 2.31009212963131 | epot = -12.205073400494 | etot = -5.62847194227631 +671000 ekin = 4.28028750599208 | erot = 2.28394068935258 | epot = -12.1927001375686 | etot = -5.62847194222394 +672000 ekin = 4.28604953834283 | erot = 2.28087700930265 | epot = -12.1953984898335 | etot = -5.62847194218805 +673000 ekin = 4.28538321001861 | erot = 2.29981058099184 | epot = -12.2136657331544 | etot = -5.62847194214396 +674000 ekin = 4.28032637907724 | erot = 2.33931519979736 | epot = -12.2481135209779 | etot = -5.6284719421033 +675000 ekin = 4.27310613165764 | erot = 2.39770546320171 | epot = -12.2992835369734 | etot = -5.62847194211401 +676000 ekin = 4.26563141866178 | erot = 2.4728304784173 | epot = -12.3669338393533 | etot = -5.62847194227417 +677000 ekin = 4.25873601046005 | erot = 2.56159475121792 | epot = -12.4488027043104 | etot = -5.62847194263247 +678000 ekin = 4.25154383428171 | erot = 2.65951246646833 | epot = -12.5395282439892 | etot = -5.62847194323914 +679000 ekin = 4.24120573481474 | erot = 2.76057514733209 | epot = -12.630252826186 | etot = -5.62847194403915 +680000 ekin = 4.22320051194648 | erot = 2.85770689084164 | epot = -12.7093793476574 | etot = -5.62847194486926 +681000 ekin = 4.1924284546272 | erot = 2.94400272523514 | epot = -12.7649031253611 | etot = -5.62847194549873 +682000 ekin = 4.14477706345917 | erot = 3.01435956360772 | epot = -12.7876085728122 | etot = -5.62847194574536 +683000 ekin = 4.07850194585553 | erot = 3.06669689279676 | epot = -12.7736707842126 | etot = -5.62847194556027 +684000 ekin = 3.98766788580418 | erot = 3.09062770615288 | epot = -12.7067675423427 | etot = -5.62847195038565 +685000 ekin = 3.876099760335 | erot = 3.07213118817965 | epot = -12.5767028921904 | etot = -5.6284719436757 +686000 ekin = 3.78865422807076 | erot = 3.05379982502793 | epot = -12.4709259954479 | etot = -5.62847194234925 +687000 ekin = 3.72885638140324 | erot = 3.0512831037603 | epot = -12.4086114323937 | etot = -5.62847194723014 +688000 ekin = 3.65488085471333 | erot = 3.04382149742279 | epot = -12.3271742984754 | etot = -5.62847194633926 +689000 ekin = 3.57606770156701 | erot = 3.03834252482284 | epot = -12.2428821720227 | etot = -5.62847194563281 +690000 ekin = 3.5163442557747 | erot = 3.04775260779204 | epot = -12.1925688086869 | etot = -5.62847194512014 +691000 ekin = 3.479714457667 | erot = 3.07622358468465 | epot = -12.1844099872179 | etot = -5.62847194486626 +692000 ekin = 3.46765181285756 | erot = 3.12642449713322 | epot = -12.2225482549237 | etot = -5.62847194493293 +693000 ekin = 3.47854301585795 | erot = 3.19918358101017 | epot = -12.3061985422019 | etot = -5.62847194533383 +694000 ekin = 3.50760869835413 | erot = 3.2934044105347 | epot = -12.4294850548997 | etot = -5.62847194601086 +695000 ekin = 3.54747029199334 | erot = 3.40637947917737 | epot = -12.5823217180174 | etot = -5.62847194684668 +696000 ekin = 3.58927155200294 | erot = 3.53441505502552 | epot = -12.7521585547315 | etot = -5.62847194770304 +697000 ekin = 3.62399868557179 | erot = 3.6734776731682 | epot = -12.9259483071981 | etot = -5.62847194845815 +698000 ekin = 3.64429609788807 | erot = 3.81929275612903 | epot = -13.0920608031207 | etot = -5.62847194910361 +699000 ekin = 3.64411727681169 | erot = 3.96826912309839 | epot = -13.2408583494292 | etot = -5.62847194951913 +700000 ekin = 3.61972386503995 | erot = 4.11779628938367 | epot = -13.3659921041098 | etot = -5.62847194968622 +701000 ekin = 3.57045543154956 | erot = 4.26605645148198 | epot = -13.4649838327663 | etot = -5.62847194973473 +702000 ekin = 3.49917622968027 | erot = 4.41037029523648 | epot = -13.5380184745267 | etot = -5.62847194960996 +703000 ekin = 3.41079978162148 | erot = 4.54773448504201 | epot = -13.5870062160415 | etot = -5.62847194937802 +704000 ekin = 3.31149657260329 | erot = 4.67560464111897 | epot = -13.6155731628048 | etot = -5.62847194908253 +705000 ekin = 3.2080790304827 | erot = 4.79162132907335 | epot = -13.6281723083369 | etot = -5.62847194878086 +706000 ekin = 3.10702043893943 | erot = 4.89365607518946 | epot = -13.6291484626722 | etot = -5.6284719485433 +707000 ekin = 3.01353531404712 | erot = 4.97967086427614 | epot = -13.6216781267622 | etot = -5.62847194843897 +708000 ekin = 2.93091332937569 | erot = 5.04739802062547 | epot = -13.6067832985163 | etot = -5.6284719485151 +709000 ekin = 2.86026033864142 | erot = 5.09399325394035 | epot = -13.5827255413543 | etot = -5.62847194877252 +710000 ekin = 2.80069789524477 | erot = 5.11589857289861 | epot = -13.545068417301 | etot = -5.62847194915761 +711000 ekin = 2.74994326389775 | erot = 5.10911210220021 | epot = -13.4875273156654 | etot = -5.62847194956741 +712000 ekin = 2.70509857008229 | erot = 5.06990681739858 | epot = -13.4034773373586 | etot = -5.62847194987772 +713000 ekin = 2.66343594223169 | erot = 4.99582282570971 | epot = -13.2877307179238 | etot = -5.62847194998245 +714000 ekin = 2.6229798284771 | erot = 4.88658411810223 | epot = -13.1380358964111 | etot = -5.62847194983175 +715000 ekin = 2.58275404739882 | erot = 4.74456650502127 | epot = -12.955792501868 | etot = -5.62847194944791 +716000 ekin = 2.54267933959134 | erot = 4.57461726456523 | epot = -12.7457685530667 | etot = -5.62847194891013 +717000 ekin = 2.50334691995156 | erot = 4.38348005444583 | epot = -12.5152989223949 | etot = -5.6284719479975 +718000 ekin = 2.46867182026079 | erot = 4.18280619287776 | epot = -12.2799499608795 | etot = -5.62847194774092 +719000 ekin = 2.44027484636896 | erot = 3.97913844269331 | epot = -12.0478852365523 | etot = -5.62847194748998 +720000 ekin = 2.41790751003703 | erot = 3.77617089292149 | epot = -11.8225503502079 | etot = -5.6284719472494 +721000 ekin = 2.40130900294611 | erot = 3.57751641362963 | epot = -11.6072973635973 | etot = -5.62847194702155 +722000 ekin = 2.39001969414016 | erot = 3.38620933334962 | epot = -11.4047009745045 | etot = -5.6284719470147 +723000 ekin = 2.38288808189959 | erot = 3.20447847595442 | epot = -11.2158385045713 | etot = -5.62847194671727 +724000 ekin = 2.3803813723149 | erot = 3.03585463084127 | epot = -11.0447079496027 | etot = -5.62847194644655 +725000 ekin = 2.3833490435995 | erot = 2.88343528869407 | epot = -10.8952562784996 | etot = -5.62847194620604 +726000 ekin = 2.39277988796305 | erot = 2.74974572521145 | epot = -10.7709975591759 | etot = -5.6284719460014 +727000 ekin = 2.40968215723269 | erot = 2.63676770299886 | epot = -10.67492180607 | etot = -5.62847194583841 +728000 ekin = 2.42515137988963 | erot = 2.54412147898368 | epot = -10.5977448182241 | etot = -5.62847195935075 +729000 ekin = 2.40297855332233 | erot = 2.51475999940565 | epot = -10.5462104921551 | etot = -5.62847193942709 +730000 ekin = 2.46310039276272 | erot = 2.54088838264026 | epot = -10.632460714378 | etot = -5.62847193897497 +731000 ekin = 2.53308642089727 | erot = 2.54954386940515 | epot = -10.7111022293682 | etot = -5.62847193906579 +732000 ekin = 2.61398262089544 | erot = 2.58024874599413 | epot = -10.8227033061636 | etot = -5.62847193927408 +733000 ekin = 2.70404858445632 | erot = 2.63167940195199 | epot = -10.9641999260514 | etot = -5.62847193964312 +734000 ekin = 2.80051950068967 | erot = 2.70132929839112 | epot = -11.1303207393002 | etot = -5.62847194021941 +735000 ekin = 2.89941283722633 | erot = 2.78510796762023 | epot = -11.3129927458789 | etot = -5.62847194103234 +736000 ekin = 2.99560133067232 | erot = 2.87741009015498 | epot = -11.5014833619209 | etot = -5.62847194109365 +737000 ekin = 3.08481605494955 | erot = 2.97524489359296 | epot = -11.6885328905225 | etot = -5.62847194198002 +738000 ekin = 3.16217862832009 | erot = 3.07317374868925 | epot = -11.8638243198073 | etot = -5.62847194279795 +739000 ekin = 3.22336037234166 | erot = 3.16493875121252 | epot = -12.0167710668997 | etot = -5.62847194334552 +740000 ekin = 3.26585131643273 | erot = 3.24522139629719 | epot = -12.1395446571587 | etot = -5.62847194442879 +741000 ekin = 3.28375382533968 | erot = 3.29991441187474 | epot = -12.212140181641 | etot = -5.62847194442657 +742000 ekin = 3.27631313182792 | erot = 3.32408611714212 | epot = -12.2288711929082 | etot = -5.62847194393818 +743000 ekin = 3.24737724842533 | erot = 3.32046927282599 | epot = -12.1963184644485 | etot = -5.62847194319719 +744000 ekin = 3.20210603655827 | erot = 3.29401551202302 | epot = -12.1245934909966 | etot = -5.62847194241536 +745000 ekin = 3.14567705942215 | erot = 3.25033567027571 | epot = -12.0244846714081 | etot = -5.62847194171029 +746000 ekin = 3.08279906327067 | erot = 3.19521988713644 | epot = -11.9064908912697 | etot = -5.62847194086257 +747000 ekin = 3.01768881789554 | erot = 3.13473855339626 | epot = -11.780899311672 | etot = -5.62847194038016 +748000 ekin = 2.95302867481637 | erot = 3.07321432169985 | epot = -11.6547149364592 | etot = -5.62847193994297 +749000 ekin = 2.89104396181994 | erot = 3.01469856721782 | epot = -11.534214468566 | etot = -5.62847193952823 +750000 ekin = 2.8337941746493 | erot = 2.96315742669507 | epot = -11.4254235404754 | etot = -5.62847193913108 +751000 ekin = 2.78329891313933 | erot = 2.92241777465506 | epot = -11.334188626555 | etot = -5.62847193876058 +752000 ekin = 2.74156846346743 | erot = 2.89600799329777 | epot = -11.2660483951996 | etot = -5.62847193843439 +753000 ekin = 2.71056677655963 | erot = 2.8869375345651 | epot = -11.2259762493015 | etot = -5.62847193817674 +754000 ekin = 2.69212502675219 | erot = 2.89743125957527 | epot = -11.218028224346 | etot = -5.62847193801851 +755000 ekin = 2.68776538375006 | erot = 2.92849871095324 | epot = -11.2447360327745 | etot = -5.62847193807121 +756000 ekin = 2.69845743043341 | erot = 2.97938409365368 | epot = -11.3063134623189 | etot = -5.62847193823178 +757000 ekin = 2.7245849642024 | erot = 3.04788425624735 | epot = -11.4009411590838 | etot = -5.628471938634 +758000 ekin = 2.76540921284501 | erot = 3.12962823281614 | epot = -11.5235093849758 | etot = -5.62847193931463 +759000 ekin = 2.81868342062832 | erot = 3.2179457539271 | epot = -11.6651011148134 | etot = -5.62847194025796 +760000 ekin = 2.88053746474593 | erot = 3.30429272398516 | epot = -11.8133021300751 | etot = -5.62847194134403 +761000 ekin = 2.94600007667602 | erot = 3.37947250551466 | epot = -11.9539445245137 | etot = -5.628471942323 +762000 ekin = 3.01037281077531 | erot = 3.43568700380028 | epot = -12.074531757463 | etot = -5.62847194288743 +763000 ekin = 3.07103775529337 | erot = 3.4688160008779 | epot = -12.1683256990123 | etot = -5.62847194284105 +764000 ekin = 3.1286639507601 | erot = 3.47975039716702 | epot = -12.2368862901611 | etot = -5.62847194223402 +765000 ekin = 3.18696433131214 | erot = 3.47390232188834 | epot = -12.2893385945311 | etot = -5.62847194133062 +766000 ekin = 3.25112146464065 | erot = 3.45917589108991 | epot = -12.3387692961781 | etot = -5.62847194044749 +767000 ekin = 3.3257732822072 | erot = 3.44357056062516 | epot = -12.3978157826508 | etot = -5.62847193981849 +768000 ekin = 3.41341833403058 | erot = 3.43342634990815 | epot = -12.4753166234905 | etot = -5.62847193955173 +769000 ekin = 3.51361597973961 | erot = 3.43258837752158 | epot = -12.5746762969179 | etot = -5.62847193965668 +770000 ekin = 3.62296220637373 | erot = 3.44225950985554 | epot = -12.69369365631 | etot = -5.6284719400807 +771000 ekin = 3.67754209930831 | erot = 3.42051682773995 | epot = -12.7265308948551 | etot = -5.62847196780683 +772000 ekin = 3.59351734147161 | erot = 3.35849685543844 | epot = -12.5804861304497 | etot = -5.62847193353968 +773000 ekin = 3.58504863518163 | erot = 3.48413941962712 | epot = -12.6976599880777 | etot = -5.62847193326899 +774000 ekin = 3.69556246730569 | erot = 3.75600381589561 | epot = -13.0800382519994 | etot = -5.62847196879806 +775000 ekin = 3.75799647075416 | erot = 3.87395641064186 | epot = -13.2604248539395 | etot = -5.62847197254345 +776000 ekin = 3.7651493109943 | erot = 3.89275295664149 | epot = -13.2863742403519 | etot = -5.62847197271613 +777000 ekin = 3.7485283802971 | erot = 3.88975944451916 | epot = -13.2667597971623 | etot = -5.62847197234605 +778000 ekin = 3.71300754115221 | erot = 3.86527182244794 | epot = -13.2067513352313 | etot = -5.62847197163116 +779000 ekin = 3.66665793168574 | erot = 3.82295167610353 | epot = -13.1180815783184 | etot = -5.62847197052915 +780000 ekin = 3.6197277323346 | erot = 3.76957330549218 | epot = -13.0177730071122 | etot = -5.62847196928545 +781000 ekin = 3.582762426071 | erot = 3.71368279728973 | epot = -12.9249171915596 | etot = -5.62847196819882 +782000 ekin = 3.56434384360535 | erot = 3.66344621659026 | epot = -12.8562620277053 | etot = -5.62847196750966 +783000 ekin = 3.56907083441011 | erot = 3.6245960139525 | epot = -12.8221388158157 | etot = -5.62847196745307 +784000 ekin = 3.5965557822763 | erot = 3.59908724274969 | epot = -12.824114992835 | etot = -5.62847196780897 +785000 ekin = 3.64263842921577 | erot = 3.58559579680112 | epot = -12.8567061945069 | etot = -5.62847196848997 +786000 ekin = 3.70061363597188 | erot = 3.58032714286029 | epot = -12.9094127481158 | etot = -5.62847196928365 +787000 ekin = 3.76290289549889 | erot = 3.5782784647877 | epot = -12.9696533303321 | etot = -5.62847197004554 +788000 ekin = 3.822306912577 | erot = 3.57432079318471 | epot = -13.0250996764347 | etot = -5.628471970673 +789000 ekin = 3.87288356010198 | erot = 3.5640275049411 | epot = -13.0653830361478 | etot = -5.62847197110472 +790000 ekin = 3.91054381117187 | erot = 3.54422213310747 | epot = -13.0832379155458 | etot = -5.62847197126644 +791000 ekin = 3.93344679988893 | erot = 3.51333982536365 | epot = -13.075258596435 | etot = -5.62847197118246 +792000 ekin = 3.94193166980327 | erot = 3.47142235433641 | epot = -13.0418259950432 | etot = -5.6284719709035 +793000 ekin = 3.9380533746213 | erot = 3.41982689800064 | epot = -12.9863522431252 | etot = -5.62847197050325 +794000 ekin = 3.92496167497727 | erot = 3.36081973432835 | epot = -12.9142533793578 | etot = -5.62847197005219 +795000 ekin = 3.90631843193004 | erot = 3.29713731787245 | epot = -12.8319277194087 | etot = -5.62847196960623 +796000 ekin = 3.88587920081752 | erot = 3.23158100763125 | epot = -12.7459321776508 | etot = -5.62847196920202 +797000 ekin = 3.86724402811157 | erot = 3.16668037608652 | epot = -12.6623963730587 | etot = -5.62847196886061 +798000 ekin = 3.85371944439479 | erot = 3.10446220687512 | epot = -12.5866536198586 | etot = -5.62847196858871 +799000 ekin = 3.84821326108177 | erot = 3.04637406837098 | epot = -12.5230592978372 | etot = -5.6284719683845 +800000 ekin = 3.85308746095944 | erot = 2.99338091096299 | epot = -12.4749403401633 | etot = -5.62847196824089 +801000 ekin = 3.8699474209389 | erot = 2.94620265026981 | epot = -12.4446220393607 | etot = -5.62847196815198 +802000 ekin = 3.89938743528548 | erot = 2.90559564184607 | epot = -12.4334550452488 | etot = -5.62847196811729 +803000 ekin = 3.94077451954891 | erot = 2.87255363125875 | epot = -12.4418001189476 | etot = -5.62847196813989 +804000 ekin = 3.99217445515592 | erot = 2.84833794113921 | epot = -12.4689843645178 | etot = -5.62847196822264 +805000 ekin = 4.05048829000735 | erot = 2.83432176411526 | epot = -12.513282022487 | etot = -5.62847196836439 +806000 ekin = 4.1117832972839 | erot = 2.83170980293985 | epot = -12.5719650687838 | etot = -5.62847196856007 +807000 ekin = 4.17172086372807 | erot = 2.84122318399144 | epot = -12.6414160165231 | etot = -5.62847196880358 +808000 ekin = 4.22595471203353 | erot = 2.86283161227628 | epot = -12.7172582934001 | etot = -5.62847196909029 +809000 ekin = 4.27041103452004 | erot = 2.89559061360523 | epot = -12.7944736175402 | etot = -5.62847196941492 +810000 ekin = 4.301435791566 | erot = 2.93761851640051 | epot = -12.8675262777331 | etot = -5.62847196976662 +811000 ekin = 4.31585912497783 | erot = 2.98622782360862 | epot = -12.9305589187105 | etot = -5.62847197012403 +812000 ekin = 4.31104963149467 | erot = 3.03819974723406 | epot = -12.9777213491839 | etot = -5.62847197045514 +813000 ekin = 4.28501152883215 | erot = 3.09015837072237 | epot = -13.0036418702754 | etot = -5.6284719707209 +814000 ekin = 4.23653530291243 | erot = 3.13897206730526 | epot = -13.0039793411017 | etot = -5.62847197088401 +815000 ekin = 4.16537042814435 | erot = 3.18209773847961 | epot = -12.9759401375431 | etot = -5.62847197091918 +816000 ekin = 4.07236517527975 | erot = 3.21779646423656 | epot = -12.9186336103346 | etot = -5.62847197081825 +817000 ekin = 3.95951977497419 | erot = 3.24518380277815 | epot = -12.8331755483459 | etot = -5.62847197059355 +818000 ekin = 3.82991762752959 | erot = 3.2641206689089 | epot = -12.7225102667152 | etot = -5.62847197027671 +819000 ekin = 3.6875335678 | erot = 3.27498902925681 | epot = -12.590994566957 | etot = -5.62847196990016 +820000 ekin = 3.5369910685457 | erot = 3.27842149112395 | epot = -12.4438845291767 | etot = -5.62847196950702 +821000 ekin = 3.38323613921468 | erot = 3.2750550219209 | epot = -12.2867631302651 | etot = -5.6284719691295 +822000 ekin = 3.23123737493016 | erot = 3.26537695384856 | epot = -12.1250862975651 | etot = -5.62847196878637 +823000 ekin = 3.08574116323705 | erot = 3.24970236700643 | epot = -11.9639154987256 | etot = -5.62847196848216 +824000 ekin = 2.95109919875176 | erot = 3.22828590308752 | epot = -11.8078570700471 | etot = -5.62847196820782 +825000 ekin = 2.83117167296028 | erot = 3.20152981124015 | epot = -11.6611734521495 | etot = -5.6284719679491 +826000 ekin = 2.72929448904333 | erot = 3.17021233059984 | epot = -11.5279787873359 | etot = -5.62847196769273 +827000 ekin = 2.64828540246515 | erot = 3.13564460982889 | epot = -11.4124019797295 | etot = -5.62847196743546 +828000 ekin = 2.59045268613421 | erot = 3.09968027912531 | epot = -11.3186049324479 | etot = -5.62847196718838 +829000 ekin = 2.55756748807352 | erot = 3.06454892080937 | epot = -11.2505883758597 | etot = -5.62847196697678 +830000 ekin = 2.55077388167199 | erot = 3.03254604907188 | epot = -11.2117918975783 | etot = -5.62847196683439 +831000 ekin = 2.57043725794491 | erot = 3.00566097499105 | epot = -11.2045701997298 | etot = -5.62847196679385 +832000 ekin = 2.61596870814794 | erot = 2.98524787981802 | epot = -11.2296885548432 | etot = -5.62847196687727 +833000 ekin = 2.68568117521223 | erot = 2.97182255724672 | epot = -11.2859756995487 | etot = -5.62847196708975 +834000 ekin = 2.77673677781702 | erot = 2.96502424361031 | epot = -11.3702329888454 | etot = -5.62847196741803 +835000 ekin = 2.88522063962288 | erot = 2.9637296524443 | epot = -11.4774222599016 | etot = -5.62847196783447 +836000 ekin = 3.00633984255775 | erot = 2.96626860594424 | epot = -11.6010804168059 | etot = -5.62847196830391 +837000 ekin = 3.13471078601861 | erot = 2.97067133313891 | epot = -11.7338540879496 | etot = -5.62847196879203 +838000 ekin = 3.2646797672635 | erot = 2.97489019159131 | epot = -11.8680419281255 | etot = -5.62847196927073 +839000 ekin = 3.39062361880175 | erot = 2.97696578967581 | epot = -11.9960613781968 | etot = -5.6284719697192 +840000 ekin = 3.50719613959126 | erot = 2.97513773551513 | epot = -12.1108058452302 | etot = -5.62847197012377 +841000 ekin = 3.60951430199109 | erot = 2.96792302741424 | epot = -12.2059092998777 | etot = -5.62847197047234 +842000 ekin = 3.69330308165686 | erot = 2.95419217585841 | epot = -12.2759672282673 | etot = -5.62847197075203 +843000 ekin = 3.75502927884949 | erot = 2.9332627309959 | epot = -12.3167639807914 | etot = -5.62847197094604 +844000 ekin = 3.79205095605746 | erot = 2.90501003413473 | epot = -12.3255329612267 | etot = -5.62847197103449 +845000 ekin = 3.8027882686221 | erot = 2.8699770846291 | epot = -12.3012373242501 | etot = -5.62847197099888 +846000 ekin = 3.78689078273148 | erot = 2.82944607301393 | epot = -12.244808826574 | etot = -5.62847197082858 +847000 ekin = 3.74534923688533 | erot = 2.78543388061856 | epot = -12.159255088031 | etot = -5.62847197052711 +848000 ekin = 3.6804896086744 | erot = 2.74058491294141 | epot = -12.0495464917325 | etot = -5.62847197011673 +849000 ekin = 3.59580402254821 | erot = 2.69795473541775 | epot = -11.922230727606 | etot = -5.62847196963999 +850000 ekin = 3.49561211007676 | erot = 2.66069826359753 | epot = -11.7847823428248 | etot = -5.62847196915048 +851000 ekin = 3.38460421182286 | erot = 2.63169879047586 | epot = -11.6447749710046 | etot = -5.62847196870583 +852000 ekin = 3.26735834651863 | erot = 2.6131910553037 | epot = -11.5090213701772 | etot = -5.62847196835484 +853000 ekin = 3.1479297086307 | erot = 2.60644046003564 | epot = -11.3828421367932 | etot = -5.62847196812688 +854000 ekin = 3.02961721531289 | erot = 2.61155167746747 | epot = -11.2696408608016 | etot = -5.62847196802129 +855000 ekin = 2.91497870693846 | erot = 2.62749311928185 | epot = -11.1709437942376 | etot = -5.62847196801727 +856000 ekin = 2.80592683699381 | erot = 2.6522972353592 | epot = -11.0866960404283 | etot = -5.62847196807532 +857000 ekin = 2.70394323168349 | erot = 2.68342637134629 | epot = -11.0158415711826 | etot = -5.62847196815284 +858000 ekin = 2.61028085083429 | erot = 2.71820874447232 | epot = -10.9569615635232 | etot = -5.6284719682166 +859000 ekin = 2.52608469749405 | erot = 2.75423459849491 | epot = -10.9087912642381 | etot = -5.62847196824915 +860000 ekin = 2.45241725402134 | erot = 2.78962480095101 | epot = -10.8705140232205 | etot = -5.62847196824819 +861000 ekin = 2.39021948389612 | erot = 2.82313150310554 | epot = -10.841822955225 | etot = -5.62847196822337 +862000 ekin = 2.340251296173 | erot = 2.85407946345532 | epot = -10.8228027278192 | etot = -5.62847196819083 +863000 ekin = 2.30304188908081 | erot = 2.88219277595577 | epot = -10.8137066332046 | etot = -5.62847196816805 +864000 ekin = 2.2788600614665 | erot = 2.90737073832822 | epot = -10.8147027679653 | etot = -5.62847196817059 +865000 ekin = 2.2677019732128 | erot = 2.92947677434014 | epot = -10.8256507157609 | etot = -5.62847196820794 +866000 ekin = 2.26929189380253 | erot = 2.94819404207217 | epot = -10.8459579041567 | etot = -5.62847196828196 +867000 ekin = 2.28309242314625 | erot = 2.96298089278676 | epot = -10.8745452843195 | etot = -5.6284719683865 +868000 ekin = 2.30832281806483 | erot = 2.97313399071666 | epot = -10.9099287772899 | etot = -5.62847196850837 +869000 ekin = 2.3439813526939 | erot = 2.97793980519836 | epot = -10.9503931265235 | etot = -5.62847196863129 +870000 ekin = 2.38886744866037 | erot = 2.97686809815983 | epot = -10.9942075155616 | etot = -5.62847196874142 +871000 ekin = 2.44159861914831 | erot = 2.96974175433695 | epot = -11.0398123423171 | etot = -5.62847196883185 +872000 ekin = 2.50061961716328 | erot = 2.95681803721471 | epot = -11.0859096232828 | etot = -5.62847196890485 +873000 ekin = 2.56420808255788 | erot = 2.93874614107009 | epot = -11.131426192598 | etot = -5.62847196897004 +874000 ekin = 2.63049127146519 | erot = 2.91641905848208 | epot = -11.1753822989849 | etot = -5.62847196903767 +875000 ekin = 2.69749664575342 | erot = 2.89079069092306 | epot = -11.2167593057862 | etot = -5.62847196910973 +876000 ekin = 2.76325741009686 | erot = 2.8627513866625 | epot = -11.2544807659345 | etot = -5.62847196917517 +877000 ekin = 2.82597857202693 | erot = 2.83312911739798 | epot = -11.2875796586343 | etot = -5.62847196920939 +878000 ekin = 2.88426506170993 | erot = 2.80282960162576 | epot = -11.3155666324696 | etot = -5.62847196913387 +879000 ekin = 2.93899285634575 | erot = 2.77402557834613 | epot = -11.3414904036006 | etot = -5.62847196890876 +880000 ekin = 2.99074429622813 | erot = 2.74904466485448 | epot = -11.3682609300216 | etot = -5.62847196893903 +881000 ekin = 3.03734869108279 | erot = 2.72816458176029 | epot = -11.3939852416205 | etot = -5.6284719687774 +882000 ekin = 3.07935286457197 | erot = 2.71303253602814 | epot = -11.4208573692109 | etot = -5.62847196861077 +883000 ekin = 3.11756797212926 | erot = 2.70517731930176 | epot = -11.4512172599084 | etot = -5.62847196847736 +884000 ekin = 3.15280252977214 | erot = 2.70569769686027 | epot = -11.4869721950348 | etot = -5.62847196840236 +885000 ekin = 3.18571613335284 | erot = 2.71504911614494 | epot = -11.5292372178974 | etot = -5.62847196839963 +886000 ekin = 3.21676773519078 | erot = 2.73290580120412 | epot = -11.5781455048685 | etot = -5.6284719684736 +887000 ekin = 3.24623562557229 | erot = 2.75806669144042 | epot = -11.6327742856409 | etot = -5.6284719686282 +888000 ekin = 3.27425942147032 | erot = 2.78837179695594 | epot = -11.6911031872933 | etot = -5.628471968867 +889000 ekin = 3.30086479023381 | erot = 2.82064068495549 | epot = -11.7499774443771 | etot = -5.62847196918781 +890000 ekin = 3.32596925008795 | erot = 2.85071439956357 | epot = -11.8051556192212 | etot = -5.62847196956963 +891000 ekin = 3.34941253378609 | erot = 2.87373382345107 | epot = -11.8516183271961 | etot = -5.62847196995895 +892000 ekin = 3.37107523704372 | erot = 2.88476437019953 | epot = -11.8843115775119 | etot = -5.62847197026867 +893000 ekin = 3.39111185250974 | erot = 2.87974242636685 | epot = -11.8993262492774 | etot = -5.6284719704008 +894000 ekin = 3.41023213065922 | erot = 2.85650829406247 | epot = -11.8952123950077 | etot = -5.62847197028603 +895000 ekin = 3.42987731018765 | erot = 2.81553499405435 | epot = -11.8738842741643 | etot = -5.6284719699223 +896000 ekin = 3.45214149125935 | erot = 2.76001213076308 | epot = -11.840625591404 | etot = -5.62847196938153 +897000 ekin = 3.47941735763162 | erot = 2.69521466352177 | epot = -11.8031039899337 | etot = -5.62847196878031 +898000 ekin = 3.51352962191391 | erot = 2.62737086743898 | epot = -11.7693724707582 | etot = -5.62847198140534 +899000 ekin = 3.4889391158018 | erot = 2.56291214107266 | epot = -11.6803232263264 | etot = -5.6284719694519 +900000 ekin = 3.45535689463325 | erot = 2.55015985204198 | epot = -11.6339887090223 | etot = -5.62847196234705 +901000 ekin = 3.50186288272102 | erot = 2.58894159326793 | epot = -11.7192764517631 | etot = -5.62847197577414 +902000 ekin = 3.56610213711289 | erot = 2.58196928739602 | epot = -11.7765433970572 | etot = -5.62847197254824 +903000 ekin = 3.62814875925392 | erot = 2.56232070451798 | epot = -11.818941436694 | etot = -5.62847197292212 +904000 ekin = 3.6911239480489 | erot = 2.55247638515041 | epot = -11.8720723066083 | etot = -5.62847197340901 +905000 ekin = 3.75091280495829 | erot = 2.54985569763339 | epot = -11.9292404765093 | etot = -5.62847197391758 +906000 ekin = 3.80322506634537 | erot = 2.55191272481867 | epot = -11.9836097655085 | etot = -5.62847197434447 +907000 ekin = 3.84434228809365 | erot = 2.55683360496833 | epot = -12.0296478676651 | etot = -5.62847197460312 +908000 ekin = 3.87190064076986 | erot = 2.56394104721273 | epot = -12.0643136626345 | etot = -5.62847197465188 +909000 ekin = 3.88547927133989 | erot = 2.57365301113712 | epot = -12.0876042569838 | etot = -5.6284719745068 +910000 ekin = 3.8868045064271 | erot = 2.58702435701482 | epot = -12.1023008376729 | etot = -5.62847197423097 +911000 ekin = 3.8795171994182 | erot = 2.60508796305688 | epot = -12.1130771363803 | etot = -5.62847197390526 +912000 ekin = 3.86859233340828 | erot = 2.6282770139044 | epot = -12.1253413209174 | etot = -5.62847197360469 +913000 ekin = 3.85955912988348 | erot = 2.65612234972595 | epot = -12.1441534529955 | etot = -5.62847197338611 +914000 ekin = 3.85765974078628 | erot = 2.68725904828248 | epot = -12.1733907617502 | etot = -5.6284719726814 +915000 ekin = 3.86988558920738 | erot = 2.72155496053172 | epot = -12.2199125225959 | etot = -5.62847197285679 +916000 ekin = 3.89721211216248 | erot = 2.75899199877689 | epot = -12.284676084202 | etot = -5.62847197326257 +917000 ekin = 3.9359730652043 | erot = 2.79756616812597 | epot = -12.3620112070326 | etot = -5.62847197370231 +918000 ekin = 3.98211349977169 | erot = 2.83523644148149 | epot = -12.445821915401 | etot = -5.62847197414779 +919000 ekin = 4.03109884777409 | erot = 2.86939983471048 | epot = -12.528970658063 | etot = -5.62847197557845 +920000 ekin = 4.07575007487009 | erot = 2.89203459574046 | epot = -12.596256646507 | etot = -5.6284719758965 +921000 ekin = 4.11121320929704 | erot = 2.89963706167902 | epot = -12.6393222476118 | etot = -5.62847197663572 +922000 ekin = 4.1294632990563 | erot = 2.89101491589761 | epot = -12.6489501918611 | etot = -5.62847197690717 +923000 ekin = 4.12574552361613 | erot = 2.86656720235584 | epot = -12.6207847028643 | etot = -5.62847197689231 +924000 ekin = 4.09806256320393 | erot = 2.82817437056367 | epot = -12.5547089103971 | etot = -5.62847197662951 +925000 ekin = 4.04683813531694 | erot = 2.77889166018884 | epot = -12.4542017717231 | etot = -5.62847197621732 +926000 ekin = 3.97415981117782 | erot = 2.7224048538106 | epot = -12.3250366407506 | etot = -5.62847197576223 +927000 ekin = 3.88290109709725 | erot = 2.66247239201842 | epot = -12.1738454644419 | etot = -5.62847197532623 +928000 ekin = 3.7761917256548 | erot = 2.60258196834984 | epot = -12.007245668911 | etot = -5.62847197490635 +929000 ekin = 3.65741733810739 | erot = 2.54590495841865 | epot = -11.8317942709844 | etot = -5.62847197445833 +930000 ekin = 3.53056331173308 | erot = 2.49545263003465 | epot = -11.6544879157075 | etot = -5.6284719739398 +931000 ekin = 3.40054525662893 | erot = 2.45429284446284 | epot = -11.4833100741212 | etot = -5.62847197302942 +932000 ekin = 3.27351307047684 | erot = 2.42812142496917 | epot = -11.330106468077 | etot = -5.62847197263094 +933000 ekin = 3.15479412561102 | erot = 2.4201742848095 | epot = -11.2034403826495 | etot = -5.62847197222898 +934000 ekin = 3.04934556977892 | erot = 2.43124949598185 | epot = -11.1090670376374 | etot = -5.62847197187662 +935000 ekin = 2.96178382525618 | erot = 2.4616517147387 | epot = -11.0519075116135 | etot = -5.62847197161859 +936000 ekin = 2.89581269227129 | erot = 2.51113391188306 | epot = -11.0354185756346 | etot = -5.62847197148024 +937000 ekin = 2.85385879398921 | erot = 2.57889786112038 | epot = -11.0612286265758 | etot = -5.62847197146621 +938000 ekin = 2.83694342931292 | erot = 2.66364816300849 | epot = -11.1290635638871 | etot = -5.6284719715657 +939000 ekin = 2.84476696223264 | erot = 2.76369076866162 | epot = -11.2369297026477 | etot = -5.6284719717534 +940000 ekin = 2.87595320507522 | erot = 2.87707538066995 | epot = -11.3815005577404 | etot = -5.62847197199521 +941000 ekin = 2.92838858222815 | erot = 3.001781599449 | epot = -11.5586421539293 | etot = -5.62847197225216 +942000 ekin = 2.99958691587109 | erot = 3.13593595718877 | epot = -11.763994845549 | etot = -5.62847197248919 +943000 ekin = 3.08701486204183 | erot = 3.27802584272535 | epot = -11.9935126774476 | etot = -5.62847197268037 +944000 ekin = 3.1865868732566 | erot = 3.42629435933061 | epot = -12.2413532064764 | etot = -5.6284719738892 +945000 ekin = 3.29120912267668 | erot = 3.57701253578978 | epot = -12.4966936328758 | etot = -5.62847197440937 +946000 ekin = 3.39621217514857 | erot = 3.72637389469715 | epot = -12.7510580448483 | etot = -5.62847197500261 +947000 ekin = 3.49687303174878 | erot = 3.8697732119292 | epot = -12.995118219371 | etot = -5.62847197569304 +948000 ekin = 3.58827211264809 | erot = 4.00151346864799 | epot = -13.2182575577786 | etot = -5.6284719764825 +949000 ekin = 3.66536645448257 | erot = 4.11475106047836 | epot = -13.4085894922954 | etot = -5.62847197733445 +950000 ekin = 3.72323941899585 | erot = 4.20180191649421 | epot = -13.5535133136576 | etot = -5.62847197816758 +951000 ekin = 3.75754185505713 | erot = 4.25489778055795 | epot = -13.6409116144757 | etot = -5.62847197886061 +952000 ekin = 3.76507381429301 | erot = 4.26734583348333 | epot = -13.6608916270522 | etot = -5.62847197927588 +953000 ekin = 3.74438822080447 | erot = 4.23487585148559 | epot = -13.6077360515863 | etot = -5.62847197929629 +954000 ekin = 3.6962524259717 | erot = 4.15681814968167 | epot = -13.481542554518 | etot = -5.62847197886462 +955000 ekin = 3.62380419842041 | erot = 4.03673171285917 | epot = -13.2890078892873 | etot = -5.62847197800776 +956000 ekin = 3.52555336244235 | erot = 3.88073804718687 | epot = -13.034763389267 | etot = -5.62847197963779 +957000 ekin = 3.39894638511365 | erot = 3.70474137308253 | epot = -12.7321597327766 | etot = -5.6284719745804 +958000 ekin = 3.27782878920333 | erot = 3.53760736955423 | epot = -12.4439081317149 | etot = -5.62847197295739 +959000 ekin = 3.17835028171983 | erot = 3.38602207388545 | epot = -12.1928443304165 | etot = -5.62847197481125 +960000 ekin = 3.0901908743556 | erot = 3.23509493203189 | epot = -11.95375778284 | etot = -5.62847197645248 +961000 ekin = 3.00426258859347 | erot = 3.08248133284665 | epot = -11.7152158969855 | etot = -5.62847197554535 +962000 ekin = 2.92693479517853 | erot = 2.94805480624185 | epot = -11.5034615767523 | etot = -5.6284719753319 +963000 ekin = 2.8597205524796 | erot = 2.83488454346027 | epot = -11.3230770709663 | etot = -5.6284719750264 +964000 ekin = 2.80427359141848 | erot = 2.74583973012051 | epot = -11.1785852963867 | etot = -5.62847197484775 +965000 ekin = 2.76170821784095 | erot = 2.68249826056695 | epot = -11.0726784532017 | etot = -5.62847197479375 +966000 ekin = 2.73254763714389 | erot = 2.64503832984035 | epot = -11.0060579418564 | etot = -5.62847197487214 +967000 ekin = 2.71665521989092 | erot = 2.6321892238601 | epot = -10.9773164188389 | etot = -5.62847197508786 +968000 ekin = 2.71315992408347 | erot = 2.6412436424263 | epot = -10.9828755419371 | etot = -5.62847197542729 +969000 ekin = 2.72046614640552 | erot = 2.66825860722398 | epot = -11.0171967294821 | etot = -5.62847197585261 +970000 ekin = 2.73639579050106 | erot = 2.70848274225803 | epot = -11.073350509069 | etot = -5.62847197630994 +971000 ekin = 2.75849383298582 | erot = 2.75695664288296 | epot = -11.1439224525279 | etot = -5.62847197665908 +972000 ekin = 2.78540546458208 | erot = 2.80984083848411 | epot = -11.2237182799979 | etot = -5.62847197693175 +973000 ekin = 2.81581409071763 | erot = 2.86412704852392 | epot = -11.3084131163579 | etot = -5.62847197711633 +974000 ekin = 2.84847995272243 | erot = 2.91762904371329 | epot = -11.3945809736423 | etot = -5.62847197720655 +975000 ekin = 2.88260770936881 | erot = 2.96920774279544 | epot = -11.4802874293687 | etot = -5.62847197720445 +976000 ekin = 2.90702473502672 | erot = 3.01964919216589 | epot = -11.5551459287789 | etot = -5.62847200158634 +977000 ekin = 2.82994036254706 | erot = 3.1046759626717 | epot = -11.5630883030682 | etot = -5.62847197784941 +978000 ekin = 2.82908362156413 | erot = 3.22546639399175 | epot = -11.6830220192733 | etot = -5.6284720037174 +979000 ekin = 2.83706100064163 | erot = 3.25481872957499 | epot = -11.7203517202847 | etot = -5.62847199006803 +980000 ekin = 2.8360134507332 | erot = 3.2704251144274 | epot = -11.7349105552639 | etot = -5.62847199010325 +981000 ekin = 2.82679467437289 | erot = 3.27908745930583 | epot = -11.7343541238234 | etot = -5.62847199014464 +982000 ekin = 2.8088945699671 | erot = 3.28090658178986 | epot = -11.718273141946 | etot = -5.62847199018903 +983000 ekin = 2.7820889855003 | erot = 3.27578646951999 | epot = -11.6863474452356 | etot = -5.62847199021531 +984000 ekin = 2.74660136776419 | erot = 3.26353952159829 | epot = -11.6386128795509 | etot = -5.62847199018845 +985000 ekin = 2.70333214303226 | erot = 3.24411390737367 | epot = -11.5759180404775 | etot = -5.62847199007155 +986000 ekin = 2.65408912608489 | erot = 3.21786526182798 | epot = -11.5004263777502 | etot = -5.62847198983735 +987000 ekin = 2.57871632965158 | erot = 3.17247279261011 | epot = -11.3796611165783 | etot = -5.62847199431663 +988000 ekin = 2.53018925254918 | erot = 3.15315339399415 | epot = -11.3118146484783 | etot = -5.62847200193499 +989000 ekin = 2.49566277860328 | erot = 3.1295211702859 | epot = -11.253655940825 | etot = -5.62847199193586 +990000 ekin = 2.46227182144369 | erot = 3.09741757416563 | epot = -11.1881613869902 | etot = -5.62847199138088 +991000 ekin = 2.44592298885099 | erot = 3.07158094651789 | epot = -11.1459759264869 | etot = -5.62847199111805 +992000 ekin = 2.4517428121109 | erot = 3.05611048124175 | epot = -11.1363252842705 | etot = -5.62847199091787 +993000 ekin = 2.48099671347122 | erot = 3.05281517837352 | epot = -11.1622838826089 | etot = -5.62847199076417 +994000 ekin = 2.53415669925148 | erot = 3.06359154112299 | epot = -11.2262202310529 | etot = -5.62847199067838 +995000 ekin = 2.6108885303282 | erot = 3.09015398312884 | epot = -11.3295145041275 | etot = -5.62847199067047 +996000 ekin = 2.71011819460966 | erot = 3.13378298490508 | epot = -11.4723731702567 | etot = -5.62847199074198 +997000 ekin = 2.8301560310209 | erot = 3.19515267532744 | epot = -11.6537806972411 | etot = -5.6284719908928 +998000 ekin = 2.96878571502403 | erot = 3.27423191202229 | epot = -11.8714896181783 | etot = -5.62847199113201 +999000 ekin = 3.12322522594026 | erot = 3.37022004592621 | epot = -12.1219172633527 | etot = -5.6284719914862 +1000000 ekin = 3.28990650543485 | erot = 3.48146010603352 | epot = -12.3998386034665 | etot = -5.62847199199813 + 1000000 0.14621807 -0.83009398 0.055104069 -0.56937076 4.8223733e-05 64000 +Loop time of 30.3066 on 1 procs for 1000000 steps with 16 atoms + +Performance: 28508.641 tau/day, 32996.112 timesteps/s +99.7% CPU use with 1 MPI tasks x no OpenMP threads + +MPI task timing breakdown: +Section | min time | avg time | max time |%varavg| %total +--------------------------------------------------------------- +Pair | 26.366 | 26.366 | 26.366 | 0.0 | 87.00 +Bond | 0.93995 | 0.93995 | 0.93995 | 0.0 | 3.10 +Neigh | 0.01081 | 0.01081 | 0.01081 | 0.0 | 0.04 +Comm | 0.34184 | 0.34184 | 0.34184 | 0.0 | 1.13 +Output | 0.14946 | 0.14946 | 0.14946 | 0.0 | 0.49 +Modify | 2.2187 | 2.2187 | 2.2187 | 0.0 | 7.32 +Other | | 0.2802 | | | 0.92 + +Nlocal: 16.0000 ave 16 max 16 min +Histogram: 1 0 0 0 0 0 0 0 0 0 +Nghost: 0.00000 ave 0 max 0 min +Histogram: 1 0 0 0 0 0 0 0 0 0 +Neighs: 106.000 ave 106 max 106 min +Histogram: 1 0 0 0 0 0 0 0 0 0 + +Total # of neighbors = 106 +Ave neighs/atom = 6.6250000 +Ave special neighs/atom = 3.7500000 +Neighbor list builds = 1000 +Dangerous builds = 0 + +write_data last_config.${number}.* nocoeff +write_data last_config.2.* nocoeff +System init for write_data ... +#write_restart last_config.${number}.* +Total wall time: 0:00:30 diff --git a/examples/PACKAGES/cgdna/examples/oxRNA2/duplex2/log.2Jul21.duplex2.g++.4 b/examples/PACKAGES/cgdna/examples/oxRNA2/duplex2/log.2Jul21.duplex2.g++.4 new file mode 100644 index 0000000000..a0f683b799 --- /dev/null +++ b/examples/PACKAGES/cgdna/examples/oxRNA2/duplex2/log.2Jul21.duplex2.g++.4 @@ -0,0 +1,1182 @@ +LAMMPS (2 Jul 2021) +variable number equal 2 +variable ofreq equal 1000 +variable efreq equal 1000 +variable T equal 0.1 +variable rhos equal 0.5 + +units lj + +dimension 3 + +newton on + +boundary p p p + +atom_style hybrid bond ellipsoid oxdna +WARNING: Atom style hybrid defines both, per-type and per-atom masses; both must be set, but only per-atom masses will be used (../atom_vec_hybrid.cpp:157) +atom_modify sort 0 1.0 + +# Pair interactions require lists of neighbours to be calculated +neighbor 2.0 bin +neigh_modify every 1 delay 0 check yes + +read_data data.duplex2 +Reading data file ... + orthogonal box = (-20.000000 -20.000000 -20.000000) to (20.000000 20.000000 20.000000) + 1 by 2 by 2 MPI processor grid + reading atoms ... + 16 atoms + reading velocities ... + 16 velocities + scanning bonds ... + 1 = max bonds/atom + 16 ellipsoids + reading bonds ... + 13 bonds +Finding 1-2 1-3 1-4 neighbors ... + special bond factors lj: 0 0 0 + special bond factors coul: 0 0 0 + 2 = max # of 1-2 neighbors + 2 = max # of 1-3 neighbors + 4 = max # of 1-4 neighbors + 6 = max # of special neighbors + special bonds CPU = 0.001 seconds + read_data CPU = 0.005 seconds + +set atom * mass 3.1575 +Setting atom values ... + 16 settings made for mass + +group all type 1 4 +16 atoms in group all + +# oxRNA2 bond interactions - FENE backbone +bond_style oxrna2/fene +bond_coeff * 2.0 0.25 0.761070781051 +special_bonds lj 0 1 1 +Finding 1-2 1-3 1-4 neighbors ... + special bond factors lj: 0 1 1 + special bond factors coul: 0 0 0 + 2 = max # of 1-2 neighbors + 2 = max # of 1-3 neighbors + 4 = max # of 1-4 neighbors + 6 = max # of special neighbors + special bonds CPU = 0.000 seconds + +# oxRNA2 pair interactions +pair_style hybrid/overlay oxrna2/excv oxrna2/stk oxrna2/hbond oxrna2/xstk oxrna2/coaxstk oxrna2/dh +pair_coeff * * oxrna2/excv 2.0 0.7 0.675 2.0 0.515 0.5 2.0 0.33 0.32 +pair_coeff * * oxrna2/stk seqdep ${T} 1.40206 2.77 6.0 0.43 0.93 0.35 0.78 0.9 0 0.95 0.9 0 0.95 1.3 0 0.8 1.3 0 0.8 2.0 0.65 2.0 0.65 +pair_coeff * * oxrna2/stk seqdep 0.1 1.40206 2.77 6.0 0.43 0.93 0.35 0.78 0.9 0 0.95 0.9 0 0.95 1.3 0 0.8 1.3 0 0.8 2.0 0.65 2.0 0.65 +pair_coeff * * oxrna2/hbond seqdep 0.0 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 +pair_coeff 1 4 oxrna2/hbond seqdep 0.870439 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 +pair_coeff 2 3 oxrna2/hbond seqdep 0.870439 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 +pair_coeff 3 4 oxrna2/hbond seqdep 0.870439 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45 +pair_coeff * * oxrna2/xstk 59.9626 0.5 0.6 0.42 0.58 2.25 0.505 0.58 1.7 1.266 0.68 1.7 1.266 0.68 1.7 0.309 0.68 1.7 0.309 0.68 +pair_coeff * * oxrna2/coaxstk 80 0.5 0.6 0.42 0.58 2.0 2.592 0.65 1.3 0.151 0.8 0.9 0.685 0.95 0.9 0.685 0.95 2.0 -0.65 2.0 -0.65 +pair_coeff * * oxrna2/dh ${T} ${rhos} 1.02455 +pair_coeff * * oxrna2/dh 0.1 ${rhos} 1.02455 +pair_coeff * * oxrna2/dh 0.1 0.5 1.02455 + +# NVE ensemble +fix 1 all nve/asphere +#fix 2 all langevin ${T} ${T} 2.5 457145 angmom 10 + +timestep 1e-5 + +#comm_style tiled +fix 3 all balance 1000 1.03 shift xyz 10 1.03 +comm_modify cutoff 3.8 + +compute quat all property/atom quatw quati quatj quatk + +compute erot all erotate/asphere +compute ekin all ke +compute epot all pe +variable erot equal c_erot +variable ekin equal c_ekin +variable epot equal c_epot +variable etot equal c_erot+c_ekin+c_epot +fix 5 all print ${efreq} "$(step) ekin = ${ekin} | erot = ${erot} | epot = ${epot} | etot = ${etot}" screen yes +fix 5 all print 1000 "$(step) ekin = ${ekin} | erot = ${erot} | epot = ${epot} | etot = ${etot}" screen yes + +dump out all custom ${ofreq} out.${number}.lammpstrj id mol type x y z ix iy iz vx vy vz c_quat[1] c_quat[2] c_quat[3] c_quat[4] angmomx angmomy angmomz +dump out all custom 1000 out.${number}.lammpstrj id mol type x y z ix iy iz vx vy vz c_quat[1] c_quat[2] c_quat[3] c_quat[4] angmomx angmomy angmomz +dump out all custom 1000 out.2.lammpstrj id mol type x y z ix iy iz vx vy vz c_quat[1] c_quat[2] c_quat[3] c_quat[4] angmomx angmomy angmomz +dump_modify out sort id +dump_modify out format line "%d %d %d %22.15le %22.15le %22.15le %d %d %d %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le" + +run 1000000 +Neighbor list info ... + update every 1 steps, delay 0 steps, check yes + max neighbors/atom: 2000, page size: 100000 + master list distance cutoff = 4.3014979 + ghost atom cutoff = 4.3014979 + binsize = 2.150749, bins = 19 19 19 + 5 neighbor lists, perpetual/occasional/extra = 5 0 0 + (1) pair oxrna2/excv, perpetual + attributes: half, newton on + pair build: half/bin/newton + stencil: half/bin/3d + bin: standard + (2) pair oxrna2/hbond, perpetual, copy from (1) + attributes: half, newton on + pair build: copy + stencil: none + bin: none + (3) pair oxrna2/xstk, perpetual, copy from (1) + attributes: half, newton on + pair build: copy + stencil: none + bin: none + (4) pair oxrna2/coaxstk, perpetual, copy from (1) + attributes: half, newton on + pair build: copy + stencil: none + bin: none + (5) pair oxrna2/dh, perpetual, copy from (1) + attributes: half, newton on + pair build: copy + stencil: none + bin: none +WARNING: Communication cutoff adjusted to 4.301497916929199 (../comm.cpp:739) +0 ekin = 2.70475393009871 | erot = 2.80172072918779 | epot = -11.1349465280232 | etot = -5.62847186873667 +Per MPI rank memory allocation (min/avg/max) = 9.328 | 9.357 | 9.442 Mbytes +Step Temp E_pair E_mol TotEng Press Volume + 0 0.12021129 -0.7299505 0.034016337 -0.52688704 5.1214421e-05 64000 +1000 ekin = 2.74425239815417 | erot = 2.79065458610893 | epot = -11.1633788526891 | etot = -5.62847186842597 +2000 ekin = 2.78841691867035 | erot = 2.77992540099535 | epot = -11.196814187725 | etot = -5.62847186805933 +3000 ekin = 2.83938215410022 | erot = 2.77185117591642 | epot = -11.2397051978034 | etot = -5.62847186778671 +4000 ekin = 2.89876217830263 | erot = 2.76816783884241 | epot = -11.295401884792 | etot = -5.62847186764698 +5000 ekin = 2.96742170720769 | erot = 2.76919345829435 | epot = -11.3650870331989 | etot = -5.62847186769689 +6000 ekin = 3.0456300737104 | erot = 2.77376672268248 | epot = -11.4478686641706 | etot = -5.62847186777773 +7000 ekin = 3.13407886898538 | erot = 2.78065913591457 | epot = -11.5432098726294 | etot = -5.62847186772942 +8000 ekin = 3.23400863287743 | erot = 2.78938863934858 | epot = -11.651869139893 | etot = -5.62847186766703 +9000 ekin = 3.34625998930258 | erot = 2.80019523753785 | epot = -11.7749270943235 | etot = -5.62847186748304 +10000 ekin = 3.47220350616334 | erot = 2.81464622815282 | epot = -11.9153216015116 | etot = -5.62847186719547 +11000 ekin = 3.61341090096018 | erot = 2.83541090219849 | epot = -12.0772936703879 | etot = -5.62847186722922 +12000 ekin = 3.76971728921063 | erot = 2.8651661044909 | epot = -12.26335526073 | etot = -5.62847186702843 +13000 ekin = 3.94105577714468 | erot = 2.90597306806356 | epot = -12.4755007121567 | etot = -5.62847186694845 +14000 ekin = 4.12730744896758 | erot = 2.95952862137381 | epot = -12.7153079373025 | etot = -5.62847186696111 +15000 ekin = 4.32776706381551 | erot = 3.02701108512252 | epot = -12.9832500158855 | etot = -5.62847186694746 +16000 ekin = 4.54139695680685 | erot = 3.10924468066178 | epot = -13.2791135046207 | etot = -5.62847186715204 +17000 ekin = 4.76575661763823 | erot = 3.20604355373091 | epot = -13.6002720389201 | etot = -5.62847186755097 +18000 ekin = 4.99700491214683 | erot = 3.31611869568265 | epot = -13.9415954758899 | etot = -5.62847186806045 +19000 ekin = 5.23048108112189 | erot = 3.43700077146759 | epot = -14.2959537213473 | etot = -5.62847186875782 +20000 ekin = 5.46074742513054 | erot = 3.564631560864 | epot = -14.6538508556015 | etot = -5.62847186960691 +21000 ekin = 5.68087058007131 | erot = 3.69256776681711 | epot = -15.0019102179231 | etot = -5.62847187103466 +22000 ekin = 5.88327619983871 | erot = 3.81252322503551 | epot = -15.3242712967755 | etot = -5.62847187190129 +23000 ekin = 6.0624997995198 | erot = 3.91720950057663 | epot = -15.6081811728146 | etot = -5.62847187271817 +24000 ekin = 6.21449712377425 | erot = 4.00104081543171 | epot = -15.8440098121103 | etot = -5.62847187290434 +25000 ekin = 6.3385327780924 | erot = 4.0618454261987 | epot = -16.0288500769827 | etot = -5.62847187269156 +26000 ekin = 6.43627737186995 | erot = 4.10076278430832 | epot = -16.1655120283937 | etot = -5.6284718722154 +27000 ekin = 6.5109244797201 | erot = 4.12134483746799 | epot = -16.2607411888239 | etot = -5.62847187163586 +28000 ekin = 6.56622100976664 | erot = 4.12827111510807 | epot = -16.3229639959505 | etot = -5.62847187107581 +29000 ekin = 6.60587340002374 | erot = 4.12622173833892 | epot = -16.360567008949 | etot = -5.62847187058635 +30000 ekin = 6.63335580501809 | erot = 4.11921545444646 | epot = -16.3810431296792 | etot = -5.62847187021468 +31000 ekin = 6.65211888589251 | erot = 4.10999678317526 | epot = -16.3905875389831 | etot = -5.62847186991536 +32000 ekin = 6.66584763664854 | erot = 4.10024297795098 | epot = -16.3945624842071 | etot = -5.62847186960759 +33000 ekin = 6.67923227191011 | erot = 4.09129207413365 | epot = -16.398996215263 | etot = -5.62847186921928 +34000 ekin = 6.69756137216815 | erot = 4.08414768607665 | epot = -16.4101809271346 | etot = -5.62847186888976 +35000 ekin = 6.72589628312065 | erot = 4.07950228497949 | epot = -16.4338704366877 | etot = -5.62847186858755 +36000 ekin = 6.76908557113698 | erot = 4.0777861549211 | epot = -16.4753435944362 | etot = -5.6284718683781 +37000 ekin = 6.83097506213388 | erot = 4.07899014040665 | epot = -16.5384370708783 | etot = -5.62847186833779 +38000 ekin = 6.91354703253156 | erot = 4.08242106390417 | epot = -16.6244399649597 | etot = -5.62847186852393 +39000 ekin = 7.01626065739817 | erot = 4.08652171942786 | epot = -16.7312542457771 | etot = -5.6284718689511 +40000 ekin = 7.13573792258313 | erot = 4.08884404540005 | epot = -16.8530538375758 | etot = -5.62847186959263 +41000 ekin = 7.26614194134498 | erot = 4.08627042537768 | epot = -16.9808842370343 | etot = -5.62847187031167 +42000 ekin = 7.40051154120571 | erot = 4.07546023443102 | epot = -17.1044436466276 | etot = -5.62847187099089 +43000 ekin = 7.53157437143672 | erot = 4.0534465535964 | epot = -17.2134927965847 | etot = -5.62847187155159 +44000 ekin = 7.65268317567628 | erot = 4.01819177227234 | epot = -17.2993468198231 | etot = -5.62847187187447 +45000 ekin = 7.75845343306873 | erot = 3.96898510895774 | epot = -17.3559104142063 | etot = -5.62847187217984 +46000 ekin = 7.84504377034629 | erot = 3.90454903064794 | epot = -17.3780646733314 | etot = -5.62847187233718 +47000 ekin = 7.91002390820623 | erot = 3.82478596555196 | epot = -17.3632817459104 | etot = -5.62847187215216 +48000 ekin = 7.95195705456504 | erot = 3.73154439390004 | epot = -17.3119733204126 | etot = -5.62847187194749 +49000 ekin = 7.97001825706871 | erot = 3.62752007295044 | epot = -17.2260102016182 | etot = -5.62847187159909 +50000 ekin = 7.9637575670044 | erot = 3.51726958365106 | epot = -17.109499021545 | etot = -5.62847187088959 +51000 ekin = 7.93280761300456 | erot = 3.40827188497834 | epot = -16.969551368803 | etot = -5.62847187082012 +52000 ekin = 7.87656811744214 | erot = 3.30207418532534 | epot = -16.8071141735587 | etot = -5.6284718707912 +53000 ekin = 7.79531012541934 | erot = 3.19839984815412 | epot = -16.6221818441148 | etot = -5.62847187054138 +54000 ekin = 7.68952609570367 | erot = 3.09980185481821 | epot = -16.4177998208248 | etot = -5.62847187030292 +55000 ekin = 7.55966222141132 | erot = 3.00897426989536 | epot = -16.1971083614502 | etot = -5.62847187014355 +56000 ekin = 7.40594124508039 | erot = 2.92802865182261 | epot = -15.9624417669777 | etot = -5.62847187007472 +57000 ekin = 7.22816598142029 | erot = 2.85836584281794 | epot = -15.7150036943485 | etot = -5.62847187011027 +58000 ekin = 7.02573051397645 | erot = 2.80066522322036 | epot = -15.45486760742 | etot = -5.62847187022319 +59000 ekin = 6.80455077165157 | erot = 2.7565194471203 | epot = -15.189542086097 | etot = -5.62847186732517 +60000 ekin = 6.57760251691547 | erot = 2.7273150167873 | epot = -14.9333893991697 | etot = -5.62847186546698 +61000 ekin = 5.99884053190185 | erot = 2.65010269791718 | epot = -14.2774150331167 | etot = -5.62847180329769 +62000 ekin = 5.82217958652088 | erot = 2.65058478195147 | epot = -14.1012361774588 | etot = -5.62847180898641 +63000 ekin = 6.00993174210273 | erot = 2.71143483466408 | epot = -14.3498384845185 | etot = -5.6284719077517 +64000 ekin = 5.85096985050391 | erot = 2.71173917624715 | epot = -14.1911809366075 | etot = -5.6284719098564 +65000 ekin = 5.67959801442757 | erot = 2.70731630130143 | epot = -14.0153862253962 | etot = -5.62847190966722 +66000 ekin = 5.49812382731728 | erot = 2.69646895132484 | epot = -13.8230646880628 | etot = -5.62847190942073 +67000 ekin = 5.3101118875317 | erot = 2.67901331172375 | epot = -13.617597108258 | etot = -5.62847190900257 +68000 ekin = 5.11964229582613 | erot = 2.65622197273387 | epot = -13.4043361770524 | etot = -5.62847190849237 +69000 ekin = 4.9306797520788 | erot = 2.63014135225676 | epot = -13.1892930124926 | etot = -5.628471908157 +70000 ekin = 4.74697386617514 | erot = 2.60347312706288 | epot = -12.9789189008747 | etot = -5.62847190763669 +71000 ekin = 4.572221332596 | erot = 2.57971589798913 | epot = -12.7804091377441 | etot = -5.62847190715895 +72000 ekin = 4.40959648507817 | erot = 2.56228295922475 | epot = -12.6003513510612 | etot = -5.62847190675832 +73000 ekin = 4.26170009573942 | erot = 2.55406076080096 | epot = -12.4442327629946 | etot = -5.62847190645423 +74000 ekin = 4.13052949790859 | erot = 2.55713155841153 | epot = -12.3161329625864 | etot = -5.62847190626624 +75000 ekin = 4.01588192828932 | erot = 2.56608801434133 | epot = -12.2104419139905 | etot = -5.62847197135984 +76000 ekin = 3.95904625854654 | erot = 2.44184942386114 | epot = -12.0293675901703 | etot = -5.62847190776259 +77000 ekin = 4.0275596026641 | erot = 2.46007159499047 | epot = -12.1161031098037 | etot = -5.6284719121491 +78000 ekin = 3.9878543994386 | erot = 2.49596945534603 | epot = -12.1122957670964 | etot = -5.62847191231177 +79000 ekin = 3.96575767721472 | erot = 2.54200842335453 | epot = -12.1362380131152 | etot = -5.62847191254597 +80000 ekin = 3.95961954869597 | erot = 2.59604589435596 | epot = -12.1841373558848 | etot = -5.62847191283286 +81000 ekin = 3.96734100032382 | erot = 2.65577062232351 | epot = -12.2515835357815 | etot = -5.62847191313418 +82000 ekin = 3.98651997822157 | erot = 2.71892569307082 | epot = -12.3339175847228 | etot = -5.62847191343037 +83000 ekin = 4.01459300302775 | erot = 2.78352190390193 | epot = -12.4265868206356 | etot = -5.62847191370596 +84000 ekin = 4.04956210608577 | erot = 2.84796629664412 | epot = -12.526000316534 | etot = -5.62847191380416 +85000 ekin = 4.09049341026886 | erot = 2.91104365381092 | epot = -12.6300089781176 | etot = -5.62847191403783 +86000 ekin = 4.13484812560062 | erot = 2.97201165419077 | epot = -12.73533169402 | etot = -5.62847191422856 +87000 ekin = 4.18003829184662 | erot = 3.03078479878272 | epot = -12.8392950049949 | etot = -5.62847191436551 +88000 ekin = 4.22360704724742 | erot = 3.08796574000306 | epot = -12.9400447016996 | etot = -5.62847191444908 +89000 ekin = 4.26326024607327 | erot = 3.14481288279466 | epot = -13.0365450433352 | etot = -5.62847191446729 +90000 ekin = 4.29588111790616 | erot = 3.20341713776991 | epot = -13.1277701703293 | etot = -5.62847191465319 +91000 ekin = 4.3169778457781 | erot = 3.26736040230132 | epot = -13.2128101626449 | etot = -5.62847191456548 +92000 ekin = 4.32507837347573 | erot = 3.33931601944534 | epot = -13.2928663075893 | etot = -5.6284719146682 +93000 ekin = 4.31872212432187 | erot = 3.42036541916748 | epot = -13.3675594581769 | etot = -5.62847191468757 +94000 ekin = 4.29660005793282 | erot = 3.51205694754371 | epot = -13.437128920153 | etot = -5.62847191467648 +95000 ekin = 4.2578902183883 | erot = 3.61606475666805 | epot = -13.502426889666 | etot = -5.62847191460968 +96000 ekin = 4.20253661926488 | erot = 3.73412422729619 | epot = -13.5651327610301 | etot = -5.62847191446908 +97000 ekin = 4.13146529060003 | erot = 3.86803037439249 | epot = -13.6279675793406 | etot = -5.62847191434809 +98000 ekin = 4.0466907197534 | erot = 4.01885670334675 | epot = -13.6940193371939 | etot = -5.62847191409377 +99000 ekin = 3.95128630061884 | erot = 4.18772840013401 | epot = -13.7674866145611 | etot = -5.62847191380829 +100000 ekin = 3.84921784883048 | erot = 4.37558821791212 | epot = -13.8532779802859 | etot = -5.62847191354332 +101000 ekin = 3.74501223923274 | erot = 4.58258429231713 | epot = -13.9560684449129 | etot = -5.62847191336305 +102000 ekin = 3.64330024870541 | erot = 4.80764134110039 | epot = -14.0794135031357 | etot = -5.62847191332989 +103000 ekin = 3.54831662006243 | erot = 5.04811575607467 | epot = -14.2249042896159 | etot = -5.6284719134788 +104000 ekin = 3.46349772064897 | erot = 5.29960820358415 | epot = -14.3915778382021 | etot = -5.62847191396902 +105000 ekin = 3.39136254536227 | erot = 5.55507704359958 | epot = -14.5749115034236 | etot = -5.62847191446178 +106000 ekin = 3.33356403744364 | erot = 5.80718759324905 | epot = -14.7692235454826 | etot = -5.62847191478986 +107000 ekin = 3.29209861353655 | erot = 6.04906687386722 | epot = -14.9696374027439 | etot = -5.62847191534016 +108000 ekin = 3.26748487341063 | erot = 6.27418243659677 | epot = -15.1701392258614 | etot = -5.62847191585405 +109000 ekin = 3.25930506886559 | erot = 6.47585417244282 | epot = -15.3636311580676 | etot = -5.62847191675918 +110000 ekin = 3.26568272829054 | erot = 6.64602097207877 | epot = -15.5401756176968 | etot = -5.62847191732745 +111000 ekin = 3.28520059172576 | erot = 6.77857539600264 | epot = -15.6922479055247 | etot = -5.62847191779634 +112000 ekin = 3.3165931570739 | erot = 6.86862760563878 | epot = -15.8136926809227 | etot = -5.62847191821005 +113000 ekin = 3.35860144230889 | erot = 6.91335224014739 | epot = -15.900425600655 | etot = -5.62847191819877 +114000 ekin = 3.41073468124636 | erot = 6.91406610981113 | epot = -15.9532727088316 | etot = -5.62847191777412 +115000 ekin = 3.4738153153424 | erot = 6.87643065686312 | epot = -15.9787178894052 | etot = -5.62847191719965 +116000 ekin = 3.54886437558739 | erot = 6.80711139529042 | epot = -15.9844476879559 | etot = -5.62847191707807 +117000 ekin = 3.6346740920492 | erot = 6.71320827683535 | epot = -15.9763542854612 | etot = -5.62847191657669 +118000 ekin = 3.72815555523539 | erot = 6.60276001485545 | epot = -15.9593874864252 | etot = -5.62847191633435 +119000 ekin = 3.82420980363907 | erot = 6.48288858478273 | epot = -15.9355703049684 | etot = -5.62847191654662 +120000 ekin = 3.91797748357213 | erot = 6.35662792089871 | epot = -15.9030773212275 | etot = -5.62847191675663 +121000 ekin = 4.00591742044035 | erot = 6.22468993027106 | epot = -15.8590792676429 | etot = -5.62847191693151 +122000 ekin = 4.08550270322373 | erot = 6.08676575288936 | epot = -15.8007403736371 | etot = -5.62847191752405 +123000 ekin = 4.15433540908386 | erot = 5.94071572290405 | epot = -15.7235230494649 | etot = -5.62847191747701 +124000 ekin = 4.21272085203614 | erot = 5.78590733869508 | epot = -15.6271001078557 | etot = -5.6284719171245 +125000 ekin = 4.26325970413196 | erot = 5.62467373686651 | epot = -15.516405357524 | etot = -5.62847191652555 +126000 ekin = 4.30880597980506 | erot = 5.46113290467189 | epot = -15.3984108007457 | etot = -5.62847191626874 +127000 ekin = 4.35136313111005 | erot = 5.29960307371424 | epot = -15.2794381205816 | etot = -5.62847191575727 +128000 ekin = 4.39391383900459 | erot = 5.14386269106717 | epot = -15.1662484454472 | etot = -5.62847191537548 +129000 ekin = 4.43858036063586 | erot = 4.99693296064756 | epot = -15.063985236396 | etot = -5.62847191511256 +130000 ekin = 4.48619887382442 | erot = 4.86092637377928 | epot = -14.9755971627238 | etot = -5.62847191512005 +131000 ekin = 4.53629967746003 | erot = 4.73552279955476 | epot = -14.9002943921691 | etot = -5.62847191515434 +132000 ekin = 4.58794392436637 | erot = 4.62012473201875 | epot = -14.8365405715596 | etot = -5.62847191517451 +133000 ekin = 4.63977927970742 | erot = 4.51475331813938 | epot = -14.7830045130149 | etot = -5.62847191516808 +134000 ekin = 4.69096227444516 | erot = 4.41936571520089 | epot = -14.7387999047806 | etot = -5.62847191513459 +135000 ekin = 4.74083332631942 | erot = 4.33399770983613 | epot = -14.7033029512362 | etot = -5.62847191508068 +136000 ekin = 4.78901374177283 | erot = 4.25873574864789 | epot = -14.6762214054318 | etot = -5.62847191501111 +137000 ekin = 4.83519033966162 | erot = 4.19345584709291 | epot = -14.6571181018627 | etot = -5.62847191510818 +138000 ekin = 4.87857190019152 | erot = 4.13759960010489 | epot = -14.6446434153638 | etot = -5.62847191506744 +139000 ekin = 4.91933904268544 | erot = 4.0904184140816 | epot = -14.6382293717798 | etot = -5.62847191501277 +140000 ekin = 4.95802132610631 | erot = 4.05108530565791 | epot = -14.6375785467323 | etot = -5.62847191496811 +141000 ekin = 4.9951992325528 | erot = 4.01864210163659 | epot = -14.6423132491261 | etot = -5.62847191493669 +142000 ekin = 5.03134031865334 | erot = 3.99210960072494 | epot = -14.6519218343061 | etot = -5.62847191492781 +143000 ekin = 5.06663282814571 | erot = 3.97056100872286 | epot = -14.6656657518145 | etot = -5.62847191494595 +144000 ekin = 5.1008800325395 | erot = 3.95318385936693 | epot = -14.6825358068965 | etot = -5.62847191499005 +145000 ekin = 5.1334772861941 | erot = 3.93933318432695 | epot = -14.7012823855755 | etot = -5.62847191505442 +146000 ekin = 5.16346418937044 | erot = 3.92856945833611 | epot = -14.720505562837 | etot = -5.62847191513042 +147000 ekin = 5.18962884502134 | erot = 3.9206777897014 | epot = -14.7387785499319 | etot = -5.62847191520911 +148000 ekin = 5.2106363010507 | erot = 3.91566839447809 | epot = -14.7547766108109 | etot = -5.62847191528212 +149000 ekin = 5.22515818277351 | erot = 3.91376203384954 | epot = -14.7673921319656 | etot = -5.62847191534254 +150000 ekin = 5.23199081771494 | erot = 3.91536756918854 | epot = -14.7758303022877 | etot = -5.62847191538422 +151000 ekin = 5.23025857434957 | erot = 3.92102977399531 | epot = -14.77976026373 | etot = -5.62847191538508 +152000 ekin = 5.21970456277706 | erot = 3.93136599417266 | epot = -14.7795424723193 | etot = -5.62847191536957 +153000 ekin = 5.2002071564403 | erot = 3.94729684642943 | epot = -14.7759759181576 | etot = -5.6284719152879 +154000 ekin = 5.17219962280996 | erot = 3.96989664945337 | epot = -14.7705681875102 | etot = -5.62847191524685 +155000 ekin = 5.13597939415306 | erot = 4.00025654377787 | epot = -14.7647078530828 | etot = -5.62847191515191 +156000 ekin = 5.09227456538914 | erot = 4.03969792967755 | epot = -14.7604444100926 | etot = -5.62847191502592 +157000 ekin = 5.04214374655936 | erot = 4.08965648366256 | epot = -14.7602721451216 | etot = -5.62847191489972 +158000 ekin = 4.98664076893846 | erot = 4.15175637520506 | epot = -14.7668690589136 | etot = -5.62847191477007 +159000 ekin = 4.92656708226507 | erot = 4.22693785976582 | epot = -14.7819768568014 | etot = -5.62847191477047 +160000 ekin = 4.86235166665126 | erot = 4.31524574981647 | epot = -14.806069331353 | etot = -5.62847191488528 +161000 ekin = 4.79340744408557 | erot = 4.416341921556 | epot = -14.8382212806378 | etot = -5.62847191499627 +162000 ekin = 4.71931679137333 | erot = 4.52911647420225 | epot = -14.8769051807431 | etot = -5.62847191516748 +163000 ekin = 4.63965178838048 | erot = 4.65170333188668 | epot = -14.9198270356121 | etot = -5.6284719153449 +164000 ekin = 4.55406399624436 | erot = 4.78166301740298 | epot = -14.9641989292971 | etot = -5.62847191564972 +165000 ekin = 4.46213996067539 | erot = 4.91530272158878 | epot = -15.0059145982053 | etot = -5.62847191594116 +166000 ekin = 4.36388109534925 | erot = 5.04805357548584 | epot = -15.0404065870411 | etot = -5.62847191620604 +167000 ekin = 4.25995046842459 | erot = 5.17511068522271 | epot = -15.0635330700697 | etot = -5.62847191642238 +168000 ekin = 4.15154354282114 | erot = 5.29182746831928 | epot = -15.0718429277122 | etot = -5.62847191657175 +169000 ekin = 4.04026084727441 | erot = 5.3941174772812 | epot = -15.0628502412098 | etot = -5.62847191665417 +170000 ekin = 3.92797723838258 | erot = 5.47890367159942 | epot = -15.0353528265935 | etot = -5.6284719166115 +171000 ekin = 3.81680551395721 | erot = 5.54460219961178 | epot = -14.9898796300184 | etot = -5.62847191644944 +172000 ekin = 3.70912194360758 | erot = 5.59119877272731 | epot = -14.9287926324942 | etot = -5.62847191615928 +173000 ekin = 3.60767008609852 | erot = 5.62020496676055 | epot = -14.8563469686152 | etot = -5.62847191575613 +174000 ekin = 3.51593123142554 | erot = 5.63484613588133 | epot = -14.7792492818548 | etot = -5.6284719145479 +175000 ekin = 3.43946966413739 | erot = 5.64148825119155 | epot = -14.7094298295804 | etot = -5.62847191425149 +176000 ekin = 3.38149964339891 | erot = 5.6430458497967 | epot = -14.6530174072212 | etot = -5.62847191402558 +177000 ekin = 3.34426304280215 | erot = 5.64075589500621 | epot = -14.6134908517385 | etot = -5.62847191393013 +178000 ekin = 3.32907821318033 | erot = 5.63429171925419 | epot = -14.5918418466202 | etot = -5.62847191418564 +179000 ekin = 3.33553286829273 | erot = 5.62088708741604 | epot = -14.5848918700473 | etot = -5.62847191433852 +180000 ekin = 3.36333384277191 | erot = 5.59827011329303 | epot = -14.590075870683 | etot = -5.62847191461804 +181000 ekin = 3.41118322744655 | erot = 5.56369949232961 | epot = -14.6033546347484 | etot = -5.62847191497222 +182000 ekin = 3.47666657813902 | erot = 5.51442909119503 | epot = -14.6195675846756 | etot = -5.62847191534156 +183000 ekin = 3.55646627297111 | erot = 5.44847615754871 | epot = -14.6334143461261 | etot = -5.62847191560626 +184000 ekin = 3.64671110623897 | erot = 5.36528131962616 | epot = -14.640464341691 | etot = -5.62847191582585 +185000 ekin = 3.74294243854247 | erot = 5.26596644090226 | epot = -14.6373807953582 | etot = -5.62847191591345 +186000 ekin = 3.84064021177418 | erot = 5.15359326679018 | epot = -14.6227053944206 | etot = -5.62847191585622 +187000 ekin = 3.93563840595006 | erot = 5.03296537332503 | epot = -14.5970756949485 | etot = -5.6284719156734 +188000 ekin = 4.02444308409283 | erot = 4.9100420520266 | epot = -14.5629570515404 | etot = -5.62847191542098 +189000 ekin = 4.10437481570283 | erot = 4.7910115792601 | epot = -14.5238583101452 | etot = -5.62847191518223 +190000 ekin = 4.17348832619954 | erot = 4.68117061833095 | epot = -14.4831308595836 | etot = -5.62847191505311 +191000 ekin = 4.23028845394395 | erot = 4.58386192798856 | epot = -14.4426222970226 | etot = -5.62847191509009 +192000 ekin = 4.27358054060601 | erot = 4.49984530057589 | epot = -14.4018977564793 | etot = -5.62847191529744 +193000 ekin = 4.24592911993781 | erot = 4.46741799187734 | epot = -14.3418190226914 | etot = -5.62847191087623 +194000 ekin = 4.19994174150889 | erot = 4.47173701960747 | epot = -14.3001506793675 | etot = -5.62847191825111 +195000 ekin = 4.19981139522167 | erot = 4.40365513590425 | epot = -14.2319384423494 | etot = -5.62847191122347 +196000 ekin = 4.18831859749938 | erot = 4.32821378408642 | epot = -14.1450042928957 | etot = -5.62847191130989 +197000 ekin = 4.16445522600488 | erot = 4.24686919663485 | epot = -14.0397963337834 | etot = -5.62847191114363 +198000 ekin = 4.13074920372959 | erot = 4.15919636754691 | epot = -13.9184174820247 | etot = -5.62847191074822 +199000 ekin = 4.090620747362 | erot = 4.06700829109956 | epot = -13.7861009486921 | etot = -5.62847191023056 +200000 ekin = 4.04792338687239 | erot = 3.97356549445473 | epot = -13.6499607909712 | etot = -5.62847190964408 +201000 ekin = 4.00668244919821 | erot = 3.88277215509106 | epot = -13.5179265133916 | etot = -5.62847190910236 +202000 ekin = 3.97063392471778 | erot = 3.79828207702214 | epot = -13.3973879104115 | etot = -5.62847190867159 +203000 ekin = 3.94283665189439 | erot = 3.72290259923884 | epot = -13.2942111595191 | etot = -5.62847190838588 +204000 ekin = 3.92540743372219 | erot = 3.65835216262476 | epot = -13.2122315045971 | etot = -5.62847190825017 +205000 ekin = 3.91946432177371 | erot = 3.60562062221005 | epot = -13.1535568521725 | etot = -5.62847190818872 +206000 ekin = 3.92515912499502 | erot = 3.56510062726653 | epot = -13.1187316605161 | etot = -5.6284719082546 +207000 ekin = 3.94166066189654 | erot = 3.53643554885135 | epot = -13.1065681191291 | etot = -5.62847190838122 +208000 ekin = 3.96741904659715 | erot = 3.51909285319014 | epot = -13.1149838083229 | etot = -5.62847190853559 +209000 ekin = 3.99456273872698 | erot = 3.5008331585032 | epot = -13.12386780659 | etot = -5.62847190935983 +210000 ekin = 4.04796401860469 | erot = 3.49168954890946 | epot = -13.1681254815403 | etot = -5.62847191402609 +211000 ekin = 4.09773342716023 | erot = 3.49304812012899 | epot = -13.2192534546349 | etot = -5.62847190734564 +212000 ekin = 4.14205596974386 | erot = 3.50221111647849 | epot = -13.2727389936889 | etot = -5.6284719074666 +213000 ekin = 4.18461227969266 | erot = 3.51992604962424 | epot = -13.3330102373235 | etot = -5.62847190800659 +214000 ekin = 4.22291801221032 | erot = 3.54318058637976 | epot = -13.3945705067397 | etot = -5.62847190814961 +215000 ekin = 4.25639069944069 | erot = 3.57018634832968 | epot = -13.455048956007 | etot = -5.6284719082366 +216000 ekin = 4.28517056130797 | erot = 3.59920416165413 | epot = -13.5128466312808 | etot = -5.62847190831865 +217000 ekin = 4.30951457891379 | erot = 3.62862634730599 | epot = -13.5666128346089 | etot = -5.62847190838914 +218000 ekin = 4.33022749097613 | erot = 3.65639118247648 | epot = -13.6150905819321 | etot = -5.62847190847947 +219000 ekin = 4.34822739188836 | erot = 3.680156611218 | epot = -13.65685591169 | etot = -5.62847190858365 +220000 ekin = 4.36437280258431 | erot = 3.69755509928772 | epot = -13.6903998105179 | etot = -5.62847190864584 +221000 ekin = 4.37954317243519 | erot = 3.70660976824559 | epot = -13.7146248493731 | etot = -5.62847190869237 +222000 ekin = 4.39451292717191 | erot = 3.70596363375625 | epot = -13.7289484695974 | etot = -5.62847190866922 +223000 ekin = 4.41008213189097 | erot = 3.69513355487692 | epot = -13.7336875953423 | etot = -5.62847190857439 +224000 ekin = 4.42678943726347 | erot = 3.67466536393777 | epot = -13.7299267097417 | etot = -5.6284719085405 +225000 ekin = 4.4446070170108 | erot = 3.64600909388234 | epot = -13.7190880192628 | etot = -5.62847190836967 +226000 ekin = 4.47380092382767 | erot = 3.5883081409745 | epot = -13.6905809780328 | etot = -5.62847191323058 +227000 ekin = 4.56056009804502 | erot = 3.47269306831649 | epot = -13.6617250773597 | etot = -5.6284719109982 +228000 ekin = 4.61083327531104 | erot = 3.40803816011154 | epot = -13.6473433475464 | etot = -5.62847191212383 +229000 ekin = 4.63150013168018 | erot = 3.35898149000663 | epot = -13.6189535337038 | etot = -5.62847191201703 +230000 ekin = 4.65431068144065 | erot = 3.31343017818407 | epot = -13.596212771626 | etot = -5.62847191200131 +231000 ekin = 4.67934821404876 | erot = 3.27332737527121 | epot = -13.5811475014859 | etot = -5.6284719121659 +232000 ekin = 4.70592354946345 | erot = 3.23944506667537 | epot = -13.5738405284608 | etot = -5.62847191232194 +233000 ekin = 4.7327141612257 | erot = 3.21144788525834 | epot = -13.5726339590431 | etot = -5.62847191255906 +234000 ekin = 4.75943444985074 | erot = 3.19078729233646 | epot = -13.578693654579 | etot = -5.6284719123918 +235000 ekin = 4.7864224181812 | erot = 3.18021193976865 | epot = -13.5951062703958 | etot = -5.62847191244599 +236000 ekin = 4.81315037988252 | erot = 3.18017325335007 | epot = -13.621795545699 | etot = -5.62847191246637 +237000 ekin = 4.83923297185582 | erot = 3.19145400453553 | epot = -13.6591588888822 | etot = -5.62847191249082 +238000 ekin = 4.86487585931821 | erot = 3.21481908800481 | epot = -13.7081668597365 | etot = -5.62847191241343 +239000 ekin = 4.89063931714941 | erot = 3.25114955282207 | epot = -13.7702607826849 | etot = -5.62847191271346 +240000 ekin = 4.91656145052528 | erot = 3.29901781219062 | epot = -13.8440511754923 | etot = -5.62847191277639 +241000 ekin = 4.94245255089308 | erot = 3.35699698381743 | epot = -13.9279214477129 | etot = -5.62847191300237 +242000 ekin = 4.9676738034607 | erot = 3.42365009426148 | epot = -14.0197958109218 | etot = -5.62847191319967 +243000 ekin = 5.00573446224949 | erot = 3.4703026046947 | epot = -14.1045089792032 | etot = -5.62847191225906 +244000 ekin = 5.06987350321115 | erot = 3.50985787352289 | epot = -14.2082032933008 | etot = -5.62847191656676 +245000 ekin = 5.08405115957508 | erot = 3.57323736718567 | epot = -14.2857604930688 | etot = -5.62847196630809 +246000 ekin = 5.13867281568972 | erot = 3.53022410786782 | epot = -14.2973688418964 | etot = -5.62847191833886 +247000 ekin = 5.24446071734678 | erot = 3.63707192639729 | epot = -14.5100045566457 | etot = -5.6284719129016 +248000 ekin = 5.23528120841574 | erot = 3.7402333097403 | epot = -14.6039864311637 | etot = -5.6284719130077 +249000 ekin = 5.21260078434991 | erot = 3.83729795660198 | epot = -14.6783706538229 | etot = -5.62847191287103 +250000 ekin = 5.17839081250125 | erot = 3.92749000333825 | epot = -14.7343527284453 | etot = -5.62847191260578 +251000 ekin = 5.13586036333776 | erot = 4.01108345357664 | epot = -14.7754157290639 | etot = -5.62847191214954 +252000 ekin = 5.08918292106269 | erot = 4.0901869418456 | epot = -14.8078417745571 | etot = -5.62847191164886 +253000 ekin = 5.04264218495251 | erot = 4.16759058211992 | epot = -14.8387046782792 | etot = -5.62847191120678 +254000 ekin = 4.99116344078304 | erot = 4.24248912287842 | epot = -14.8621245493434 | etot = -5.62847198568198 +255000 ekin = 4.72637462798313 | erot = 4.24407837663972 | epot = -14.5989249325881 | etot = -5.62847192796522 +256000 ekin = 4.59834109997883 | erot = 4.36369782211094 | epot = -14.5905108364968 | etot = -5.62847191440707 +257000 ekin = 4.77089539876767 | erot = 4.60066315316555 | epot = -15.0000305289929 | etot = -5.62847197705967 +258000 ekin = 4.85704242989329 | erot = 4.66807324377056 | epot = -15.1535875814157 | etot = -5.62847190775189 +259000 ekin = 4.89901811472161 | erot = 4.72718635921493 | epot = -15.254676380859 | etot = -5.62847190692249 +260000 ekin = 4.94107094739191 | erot = 4.79406863686397 | epot = -15.3636114914137 | etot = -5.62847190715783 +261000 ekin = 4.98242309074731 | erot = 4.86508628581783 | epot = -15.475981284624 | etot = -5.62847190805891 +262000 ekin = 5.01659840998324 | erot = 4.93871137848495 | epot = -15.5837816973677 | etot = -5.62847190889948 +263000 ekin = 5.03982661194286 | erot = 5.00983839412499 | epot = -15.678136915574 | etot = -5.62847190950611 +264000 ekin = 5.04732696349651 | erot = 5.07389667599432 | epot = -15.7496955495956 | etot = -5.62847191010476 +265000 ekin = 5.03448807084879 | erot = 5.12688367713822 | epot = -15.7898436586239 | etot = -5.62847191063685 +266000 ekin = 4.99773438959422 | erot = 5.16480683532306 | epot = -15.7910131359651 | etot = -5.62847191104779 +267000 ekin = 4.93508497406072 | erot = 5.18388050750759 | epot = -15.7474373928695 | etot = -5.62847191130122 +268000 ekin = 4.84654531470709 | erot = 5.18063468559457 | epot = -15.6556519116839 | etot = -5.62847191138221 +269000 ekin = 4.73423214274495 | erot = 5.15198859732377 | epot = -15.5146926513573 | etot = -5.62847191128854 +270000 ekin = 4.60224202248383 | erot = 5.09540688817397 | epot = -15.3261208188942 | etot = -5.62847190823643 +271000 ekin = 4.45636876654781 | erot = 5.00923317388611 | epot = -15.0940738481991 | etot = -5.62847190776522 +272000 ekin = 4.30375505735309 | erot = 4.89315778304568 | epot = -14.825384747494 | etot = -5.62847190709522 +273000 ekin = 4.15244061479752 | erot = 4.74862648123594 | epot = -14.5295390022933 | etot = -5.62847190625979 +274000 ekin = 4.01137482334292 | erot = 4.57896672456614 | epot = -14.2188134532213 | etot = -5.62847190531227 +275000 ekin = 3.87388872892428 | erot = 4.38950805795246 | epot = -13.8918687169883 | etot = -5.62847193011159 +276000 ekin = 3.70828148350147 | erot = 4.18975567950129 | epot = -13.5265090654659 | etot = -5.62847190246315 +277000 ekin = 3.74025187940199 | erot = 3.98894405210537 | epot = -13.3576678645646 | etot = -5.62847193305723 +278000 ekin = 3.74221760775445 | erot = 3.7703854369191 | epot = -13.141074947913 | etot = -5.62847190323943 +279000 ekin = 3.75220115766807 | erot = 3.55790331814709 | epot = -12.9385763794555 | etot = -5.62847190364033 +280000 ekin = 3.77561814014637 | erot = 3.35781654492599 | epot = -12.7619065883795 | etot = -5.62847190330715 +281000 ekin = 3.81272927484916 | erot = 3.17409695196373 | epot = -12.6152981298183 | etot = -5.62847190300538 +282000 ekin = 3.86501988036989 | erot = 3.00952640155094 | epot = -12.5030181842073 | etot = -5.62847190228648 +283000 ekin = 3.93628900407196 | erot = 2.86613168182016 | epot = -12.4308925881274 | etot = -5.62847190223531 +284000 ekin = 4.02702703050672 | erot = 2.74480306500215 | epot = -12.400301997905 | etot = -5.62847190239611 +285000 ekin = 4.14139706640362 | erot = 2.64599110158009 | epot = -12.4158600691698 | etot = -5.62847190118607 +286000 ekin = 4.28525774918439 | erot = 2.56950762489372 | epot = -12.4832372763244 | etot = -5.62847190224628 +287000 ekin = 4.44987555795748 | erot = 2.51493810068492 | epot = -12.5932855609593 | etot = -5.6284719023169 +288000 ekin = 4.63520922264933 | erot = 2.48100112555843 | epot = -12.7446822515497 | etot = -5.62847190334196 +289000 ekin = 4.83125797005689 | erot = 2.46527241539821 | epot = -12.9250022896894 | etot = -5.6284719042343 +290000 ekin = 5.02763799219528 | erot = 2.46542435682162 | epot = -13.1215342541017 | etot = -5.62847190508476 +291000 ekin = 5.21465468575846 | erot = 2.47913524144884 | epot = -13.3222618329705 | etot = -5.62847190576323 +292000 ekin = 5.38472348790169 | erot = 2.50416430329376 | epot = -13.5173596974329 | etot = -5.62847190623749 +293000 ekin = 5.53302487062846 | erot = 2.53823701976661 | epot = -13.6997337969559 | etot = -5.62847190656082 +294000 ekin = 5.6571870189941 | erot = 2.5787749635331 | epot = -13.8644338893373 | etot = -5.62847190681011 +295000 ekin = 5.75652780496594 | erot = 2.62269919784364 | epot = -14.0076989098378 | etot = -5.62847190702826 +296000 ekin = 5.83139499491463 | erot = 2.66652171229213 | epot = -14.1263886144138 | etot = -5.62847190720704 +297000 ekin = 5.88282356332242 | erot = 2.70675614330273 | epot = -14.2180516139347 | etot = -5.62847190730956 +298000 ekin = 5.91239748765322 | erot = 2.7404849430086 | epot = -14.28135433797 | etot = -5.62847190730812 +299000 ekin = 5.92208198046631 | erot = 2.7658529930208 | epot = -14.3164068806916 | etot = -5.62847190720453 +300000 ekin = 5.91390942018983 | erot = 2.78233336188499 | epot = -14.3247146890992 | etot = -5.62847190702436 +301000 ekin = 5.88962133511497 | erot = 2.79074353675713 | epot = -14.3088367786655 | etot = -5.6284719067934 +302000 ekin = 5.85048781421181 | erot = 2.79307875791444 | epot = -14.2720384786478 | etot = -5.6284719065216 +303000 ekin = 5.79743517877221 | erot = 2.79223225552269 | epot = -14.2181393405036 | etot = -5.62847190620872 +304000 ekin = 5.73124340760732 | erot = 2.79262915088962 | epot = -14.1523444641594 | etot = -5.62847190566242 +305000 ekin = 5.65258268469963 | erot = 2.79940899090845 | epot = -14.0804635809885 | etot = -5.62847190538042 +306000 ekin = 5.56254653523154 | erot = 2.81503734234889 | epot = -14.0060557827376 | etot = -5.62847190515719 +307000 ekin = 5.46251129680772 | erot = 2.84075892385856 | epot = -13.9317421256993 | etot = -5.628471905033 +308000 ekin = 5.35391293499826 | erot = 2.87633235163923 | epot = -13.8587171916687 | etot = -5.62847190503121 +309000 ekin = 5.23805007411516 | erot = 2.91996940723001 | epot = -13.7864913863797 | etot = -5.62847190503451 +310000 ekin = 5.11613875822289 | erot = 2.96880482959698 | epot = -13.7134154931048 | etot = -5.62847190528492 +311000 ekin = 4.98925852659088 | erot = 3.01839769775364 | epot = -13.6361281298111 | etot = -5.62847190546661 +312000 ekin = 4.85867326621996 | erot = 3.06421411593078 | epot = -13.5513592877715 | etot = -5.6284719056208 +313000 ekin = 4.72585112667078 | erot = 3.10236590329544 | epot = -13.4566889356288 | etot = -5.62847190566256 +314000 ekin = 4.59293421045967 | erot = 3.13002199528656 | epot = -13.3514281113019 | etot = -5.62847190555564 +315000 ekin = 4.46270669971285 | erot = 3.14588950387233 | epot = -13.2370681089016 | etot = -5.62847190531646 +316000 ekin = 4.33845457033907 | erot = 3.15016989317907 | epot = -13.117096368502 | etot = -5.62847190498389 +317000 ekin = 4.22370149066984 | erot = 3.14429402986996 | epot = -12.9964674251454 | etot = -5.62847190460556 +318000 ekin = 4.12188681800496 | erot = 3.13056754978033 | epot = -12.8809262720097 | etot = -5.62847190422441 +319000 ekin = 4.03607214171727 | erot = 3.1118418278711 | epot = -12.7763858734576 | etot = -5.62847190386921 +320000 ekin = 3.96873641008803 | erot = 3.09128048611875 | epot = -12.688488799758 | etot = -5.62847190355117 +321000 ekin = 3.92167797369473 | erot = 3.07226107994169 | epot = -12.6224109569055 | etot = -5.62847190326908 +322000 ekin = 3.89600971422886 | erot = 3.0583364837468 | epot = -12.5828181010019 | etot = -5.62847190302625 +323000 ekin = 3.89216326552489 | erot = 3.05323078720494 | epot = -12.5738659555648 | etot = -5.62847190283501 +324000 ekin = 3.90971752721574 | erot = 3.06065920137769 | epot = -12.5988486315915 | etot = -5.62847190299803 +325000 ekin = 3.94474197768096 | erot = 3.08325557842962 | epot = -12.6564694593579 | etot = -5.62847190324737 +326000 ekin = 3.99225791212593 | erot = 3.12131666196344 | epot = -12.7420464778598 | etot = -5.62847190377039 +327000 ekin = 4.0471575181962 | erot = 3.17277573873705 | epot = -12.8484051615057 | etot = -5.62847190457241 +328000 ekin = 4.10306827950272 | erot = 3.23289809101669 | epot = -12.9644382761191 | etot = -5.62847190559972 +329000 ekin = 4.1529407779747 | erot = 3.29460254686909 | epot = -13.0760152315166 | etot = -5.62847190667283 +330000 ekin = 4.19046086378744 | erot = 3.34957314359153 | epot = -13.1685059148798 | etot = -5.62847190750083 +331000 ekin = 4.21187936704663 | erot = 3.38989153266405 | epot = -13.2302428076773 | etot = -5.6284719079666 +332000 ekin = 4.21589857653334 | erot = 3.41075094374493 | epot = -13.2551214281318 | etot = -5.6284719078535 +333000 ekin = 4.20485265999743 | erot = 3.41174399824419 | epot = -13.2450685654349 | etot = -5.62847190719325 +334000 ekin = 4.18435368275723 | erot = 3.39692225043786 | epot = -13.2097478393525 | etot = -5.62847190615742 +335000 ekin = 4.16205455861025 | erot = 3.37367623593637 | epot = -13.1642026995324 | etot = -5.6284719049858 +336000 ekin = 4.14609491420183 | erot = 3.35093309665819 | epot = -13.1254999147632 | etot = -5.62847190390319 +337000 ekin = 4.14364358930928 | erot = 3.33736964605316 | epot = -13.1094851384328 | etot = -5.6284719030704 +338000 ekin = 4.15982493122721 | erot = 3.33968220642382 | epot = -13.1279790403805 | etot = -5.62847190272943 +339000 ekin = 4.19714166715581 | erot = 3.36120406394198 | epot = -13.1868176337033 | etot = -5.62847190260553 +340000 ekin = 4.25518474380808 | erot = 3.4039445653423 | epot = -13.2876012119485 | etot = -5.62847190279813 +341000 ekin = 4.33079125359858 | erot = 3.46797257818037 | epot = -13.4272357350166 | etot = -5.62847190323766 +342000 ekin = 4.41854745258189 | erot = 3.55173943759755 | epot = -13.5987587940251 | etot = -5.62847190384561 +343000 ekin = 4.51153864837879 | erot = 3.652504945506 | epot = -13.7925154984309 | etot = -5.62847190454609 +344000 ekin = 4.60219231317239 | erot = 3.76671918647997 | epot = -13.997383404906 | etot = -5.62847190525368 +345000 ekin = 4.68312343519334 | erot = 3.89042211424666 | epot = -14.2020174553425 | etot = -5.62847190590253 +346000 ekin = 4.74786790539194 | erot = 4.01955036383976 | epot = -14.3958901756728 | etot = -5.62847190644112 +347000 ekin = 4.79150376885693 | erot = 4.150195298843 | epot = -14.5701709744941 | etot = -5.62847190679421 +348000 ekin = 4.81117855585102 | erot = 4.27877359764447 | epot = -14.7184240605438 | etot = -5.62847190704836 +349000 ekin = 4.80564918858945 | erot = 4.40205662692375 | epot = -14.8361777226801 | etot = -5.62847190716692 +350000 ekin = 4.77545945328785 | erot = 4.51714564005358 | epot = -14.9210770005337 | etot = -5.6284719071923 +351000 ekin = 4.72262273321844 | erot = 4.62116010888509 | epot = -14.9722547493068 | etot = -5.6284719072033 +352000 ekin = 4.65007958813933 | erot = 4.71078593021054 | epot = -14.9893374256289 | etot = -5.62847190727905 +353000 ekin = 4.56109157465084 | erot = 4.7818033558395 | epot = -14.9713668379523 | etot = -5.62847190746193 +354000 ekin = 4.45876151246233 | erot = 4.82895979647354 | epot = -14.9161932166581 | etot = -5.62847190772226 +355000 ekin = 4.34584612945194 | erot = 4.84663553108728 | epot = -14.8209535684629 | etot = -5.62847190792371 +356000 ekin = 4.22495470320642 | erot = 4.83038190908647 | epot = -14.6838085201814 | etot = -5.62847190788853 +357000 ekin = 4.09903296594494 | erot = 4.77873075093466 | epot = -14.5062356243611 | etot = -5.62847190748155 +358000 ekin = 3.9717866755574 | erot = 4.69444561049284 | epot = -14.2947041927586 | etot = -5.62847190670838 +359000 ekin = 3.84767298929259 | erot = 4.58431182213288 | epot = -14.0604567171772 | etot = -5.62847190575173 +360000 ekin = 3.73136439808524 | erot = 4.45746613157388 | epot = -13.8173024344164 | etot = -5.62847190475726 +361000 ekin = 3.62758093165437 | erot = 4.32379064505124 | epot = -13.5798434807365 | etot = -5.62847190403088 +362000 ekin = 3.54294892306734 | erot = 4.19358097114317 | epot = -13.3650017978873 | etot = -5.6284719036768 +363000 ekin = 3.4783731169159 | erot = 4.07207692082171 | epot = -13.1789219412944 | etot = -5.62847190355681 +364000 ekin = 3.43225009806439 | erot = 3.96193194141655 | epot = -13.0226539430675 | etot = -5.62847190358656 +365000 ekin = 3.4019838846394 | erot = 3.86460642705253 | epot = -12.8950622153762 | etot = -5.6284719036843 +366000 ekin = 3.38451833852897 | erot = 3.78104622244587 | epot = -12.7940364647553 | etot = -5.6284719037805 +367000 ekin = 3.37682483158841 | erot = 3.71218000857274 | epot = -12.7174767440016 | etot = -5.62847190384047 +368000 ekin = 3.37625204139247 | erot = 3.65912147822663 | epot = -12.6638454234711 | etot = -5.62847190385203 +369000 ekin = 3.38074636727487 | erot = 3.623126803443 | epot = -12.6323450745421 | etot = -5.62847190382426 +370000 ekin = 3.38894636699412 | erot = 3.60538856636911 | epot = -12.6228068371819 | etot = -5.62847190381867 +371000 ekin = 3.40011634060655 | erot = 3.60672333637796 | epot = -12.6353115807301 | etot = -5.6284719037456 +372000 ekin = 3.41430323563517 | erot = 3.62748920223765 | epot = -12.6702643415699 | etot = -5.62847190369708 +373000 ekin = 3.43217624796222 | erot = 3.66740997408407 | epot = -12.7280581255881 | etot = -5.62847190354183 +374000 ekin = 3.4553831468672 | erot = 3.7253207076625 | epot = -12.8091757581561 | etot = -5.62847190362638 +375000 ekin = 3.48458983103952 | erot = 3.79950576965977 | epot = -12.912567504454 | etot = -5.62847190375469 +376000 ekin = 3.51994630864001 | erot = 3.88772077541255 | epot = -13.0361389879767 | etot = -5.62847190392415 +377000 ekin = 3.56162263239923 | erot = 3.987180320867 | epot = -13.1772748573584 | etot = -5.62847190409221 +378000 ekin = 3.61009229019707 | erot = 4.09470007581313 | epot = -13.3332642703131 | etot = -5.62847190430291 +379000 ekin = 3.66621939252838 | erot = 4.20668278515949 | epot = -13.5013740821291 | etot = -5.62847190444121 +380000 ekin = 3.73222313435908 | erot = 4.31893025305484 | epot = -13.6796252922915 | etot = -5.62847190487763 +381000 ekin = 3.80656943724393 | erot = 4.4266176909461 | epot = -13.8616590336395 | etot = -5.62847190544944 +382000 ekin = 3.88594558526958 | erot = 4.52459411505758 | epot = -14.0390116064095 | etot = -5.6284719060823 +383000 ekin = 3.96695090000421 | erot = 4.60747433895036 | epot = -14.2028971456775 | etot = -5.6284719067229 +384000 ekin = 4.04619645068514 | erot = 4.66967915257686 | epot = -14.3443475105574 | etot = -5.6284719072954 +385000 ekin = 4.1209202913832 | erot = 4.70599192062627 | epot = -14.4553841196779 | etot = -5.6284719076684 +386000 ekin = 4.18945537163468 | erot = 4.71237691681053 | epot = -14.53030419655 | etot = -5.62847190810481 +387000 ekin = 4.24770733745657 | erot = 4.68531871643965 | epot = -14.5614979619493 | etot = -5.62847190805306 +388000 ekin = 4.29400518232787 | erot = 4.62433064765407 | epot = -14.5468077376916 | etot = -5.62847190770962 +389000 ekin = 4.32973751035657 | erot = 4.53230747815447 | epot = -14.4905168956744 | etot = -5.62847190716338 +390000 ekin = 4.35696496432711 | erot = 4.41432356915647 | epot = -14.3997604400514 | etot = -5.62847190656786 +391000 ekin = 4.37768888460796 | erot = 4.27672755001287 | epot = -14.2828883405568 | etot = -5.62847190593597 +392000 ekin = 4.39398588700514 | erot = 4.12625191225617 | epot = -14.1487097046405 | etot = -5.62847190537918 +393000 ekin = 4.407382411178 | erot = 3.96936593196168 | epot = -14.0052202479623 | etot = -5.62847190482259 +394000 ekin = 4.41937568155054 | erot = 3.81285278687815 | epot = -13.8607003730908 | etot = -5.6284719046621 +395000 ekin = 4.42988768163861 | erot = 3.66065946576253 | epot = -13.7190190519313 | etot = -5.6284719045302 +396000 ekin = 4.43847476588742 | erot = 3.515256032156 | epot = -13.5822027024342 | etot = -5.62847190439077 +397000 ekin = 4.44517728396547 | erot = 3.37891512777946 | epot = -13.4525643159608 | etot = -5.62847190421592 +398000 ekin = 4.45064950025449 | erot = 3.25392386318798 | epot = -13.3330452674381 | etot = -5.62847190399563 +399000 ekin = 4.45613851376774 | erot = 3.14269651881402 | epot = -13.2273069363796 | etot = -5.62847190379781 +400000 ekin = 4.46297608305081 | erot = 3.04745583064848 | epot = -13.1389038172436 | etot = -5.62847190354436 +401000 ekin = 4.4727554600107 | erot = 2.97053701410496 | epot = -13.0717643774743 | etot = -5.62847190335867 +402000 ekin = 4.48672336700456 | erot = 2.91396522579477 | epot = -13.0291604961389 | etot = -5.62847190333955 +403000 ekin = 4.50482841071939 | erot = 2.87870251808789 | epot = -13.0120028324216 | etot = -5.62847190361433 +404000 ekin = 4.52484325730244 | erot = 2.86379686213768 | epot = -13.0171120236908 | etot = -5.62847190425068 +405000 ekin = 4.54178669953282 | erot = 2.86535120567948 | epot = -13.0356098106883 | etot = -5.62847190547597 +406000 ekin = 4.54812186977377 | erot = 2.8756562345287 | epot = -13.0522500108982 | etot = -5.62847190659573 +407000 ekin = 4.53567765662368 | erot = 2.88781666332885 | epot = -13.0519662273735 | etot = -5.62847190742095 +408000 ekin = 4.49806839872552 | erot = 2.89717319274354 | epot = -13.0237134991179 | etot = -5.62847190764884 +409000 ekin = 4.43289041825336 | erot = 2.90293173428801 | epot = -12.9642940598164 | etot = -5.628471907275 +410000 ekin = 4.34222243511652 | erot = 2.9078457176288 | epot = -12.8785400592904 | etot = -5.62847190654505 +411000 ekin = 4.23122328981887 | erot = 2.91632332329652 | epot = -12.7760185189097 | etot = -5.62847190579429 +412000 ekin = 4.10591302468972 | erot = 2.93234263225436 | epot = -12.6667275621786 | etot = -5.62847190523456 +413000 ekin = 3.97147909136112 | erot = 2.95826875337514 | epot = -12.5582197496412 | etot = -5.62847190490499 +414000 ekin = 3.8316964532881 | erot = 2.99487215440368 | epot = -12.455040512434 | etot = -5.6284719047422 +415000 ekin = 3.68915556886498 | erot = 3.04191716153914 | epot = -12.3595446350685 | etot = -5.62847190466441 +416000 ekin = 3.54575553257353 | erot = 3.09878213614044 | epot = -12.2730095733252 | etot = -5.62847190461118 +417000 ekin = 3.40315271146257 | erot = 3.16484246792854 | epot = -12.1964670839421 | etot = -5.628471904551 +418000 ekin = 3.26306253873233 | erot = 3.23960054555629 | epot = -12.1311349887606 | etot = -5.62847190447202 +419000 ekin = 3.12743539445919 | erot = 3.3226586781321 | epot = -12.0785659769629 | etot = -5.62847190437166 +420000 ekin = 2.99854685247769 | erot = 3.41362396347574 | epot = -12.0406427202082 | etot = -5.62847190425476 +421000 ekin = 2.87901712491765 | erot = 3.51197880381345 | epot = -12.0194678328662 | etot = -5.62847190413511 +422000 ekin = 2.77174596051471 | erot = 3.61690112205625 | epot = -12.0171189866113 | etot = -5.62847190404032 +423000 ekin = 2.67973794663749 | erot = 3.72700827488463 | epot = -12.0352181255357 | etot = -5.62847190401359 +424000 ekin = 2.60579870927641 | erot = 3.8400271753046 | epot = -12.0742977886923 | etot = -5.6284719041113 +425000 ekin = 2.55208954526361 | erot = 3.95244167895215 | epot = -12.1330031286132 | etot = -5.6284719043974 +426000 ekin = 2.51954653043548 | erot = 4.05920212808865 | epot = -12.2072205634526 | etot = -5.62847190492845 +427000 ekin = 2.50725893889522 | erot = 4.15363681831345 | epot = -12.2893676629222 | etot = -5.62847190571357 +428000 ekin = 2.51210485173988 | erot = 4.22782399615356 | epot = -12.3684007545415 | etot = -5.62847190664806 +429000 ekin = 2.52911833231882 | erot = 4.27377369073059 | epot = -12.4313639305283 | etot = -5.62847190747891 +430000 ekin = 2.55284926699729 | erot = 4.28551618827135 | epot = -12.4668373631561 | etot = -5.62847190788745 +431000 ekin = 2.5792413941883 | erot = 4.26142412037033 | epot = -12.4691374222402 | etot = -5.62847190768156 +432000 ekin = 2.60692475465764 | erot = 4.20541068246136 | epot = -12.4408073440548 | etot = -5.62847190693575 +433000 ekin = 2.63712842981534 | erot = 4.12604912500974 | epot = -12.3916494607596 | etot = -5.62847190593452 +434000 ekin = 2.67245542240745 | erot = 4.03405948920888 | epot = -12.3349868166036 | etot = -5.62847190498728 +435000 ekin = 2.71543854639826 | erot = 3.93961255970321 | epot = -12.2835230103841 | etot = -5.62847190428263 +436000 ekin = 2.76760991341188 | erot = 3.85063248522776 | epot = -12.2467143025148 | etot = -5.62847190387521 +437000 ekin = 2.82920515671347 | erot = 3.77223859650038 | epot = -12.229915656939 | etot = -5.62847190372516 +438000 ekin = 2.89929820058543 | erot = 3.70707509974792 | epot = -12.2348452040997 | etot = -5.62847190376632 +439000 ekin = 2.97609334155065 | erot = 3.65590372388788 | epot = -12.2604689693773 | etot = -5.6284719039388 +440000 ekin = 3.0572090661252 | erot = 3.61815200783681 | epot = -12.3038329781609 | etot = -5.62847190419891 +441000 ekin = 3.13989672828484 | erot = 3.59232302399564 | epot = -12.3606916567967 | etot = -5.62847190451624 +442000 ekin = 3.22119927518209 | erot = 3.5762689251996 | epot = -12.4259401052536 | etot = -5.62847190487189 +443000 ekin = 3.29807867301552 | erot = 3.56737972996007 | epot = -12.4939303082211 | etot = -5.62847190524554 +444000 ekin = 3.36753883943484 | erot = 3.56276348927419 | epot = -12.558774234326 | etot = -5.62847190561699 +445000 ekin = 3.42676046580584 | erot = 3.55942025918996 | epot = -12.6146526309598 | etot = -5.62847190596397 +446000 ekin = 3.47324383646413 | erot = 3.55443462309052 | epot = -12.656150365822 | etot = -5.62847190626738 +447000 ekin = 3.50497354375794 | erot = 3.54511419619786 | epot = -12.6785596464609 | etot = -5.62847190650513 +448000 ekin = 3.52056213082773 | erot = 3.52974100710159 | epot = -12.6787750444482 | etot = -5.62847190651887 +449000 ekin = 3.5193969659025 | erot = 3.5070590451093 | epot = -12.6549279176159 | etot = -5.62847190660407 +450000 ekin = 3.50164536052708 | erot = 3.47565071065802 | epot = -12.6057679777836 | etot = -5.62847190659851 +451000 ekin = 3.46824790706761 | erot = 3.43472151202269 | epot = -12.5314413255905 | etot = -5.62847190650017 +452000 ekin = 3.42090312735532 | erot = 3.3841455872896 | epot = -12.4335206209555 | etot = -5.62847190631062 +453000 ekin = 3.36201791827153 | erot = 3.32449206044985 | epot = -12.3149818847562 | etot = -5.62847190603485 +454000 ekin = 3.29463316059154 | erot = 3.25701739818569 | epot = -12.18012246446 | etot = -5.62847190568276 +455000 ekin = 3.22233274897233 | erot = 3.18360703276273 | epot = -12.034411687003 | etot = -5.62847190526794 +456000 ekin = 3.14914248627045 | erot = 3.10666992197473 | epot = -11.8842843130546 | etot = -5.62847190480945 +457000 ekin = 3.07939737171287 | erot = 3.02894564057903 | epot = -11.7368149166299 | etot = -5.62847190433799 +458000 ekin = 3.01756413266252 | erot = 2.95322108561951 | epot = -11.5992571221324 | etot = -5.62847190385035 +459000 ekin = 2.96810632521944 | erot = 2.88249754735581 | epot = -11.4790757759786 | etot = -5.62847190340336 +460000 ekin = 2.93513889001201 | erot = 2.81955267520362 | epot = -11.3831634682489 | etot = -5.62847190303332 +461000 ekin = 2.92205746386829 | erot = 2.76669234907485 | epot = -11.3172217157212 | etot = -5.62847190277803 +462000 ekin = 2.93114290148975 | erot = 2.72556812595398 | epot = -11.2851829301146 | etot = -5.6284719026709 +463000 ekin = 2.96319319679128 | erot = 2.69703193761113 | epot = -11.2886970371374 | etot = -5.62847190273498 +464000 ekin = 3.01726238568043 | erot = 2.68105615129969 | epot = -11.3267904399539 | etot = -5.62847190297383 +465000 ekin = 3.09058398931785 | erot = 2.67674994758914 | epot = -11.3958058402755 | etot = -5.62847190336855 +466000 ekin = 3.17872270900157 | erot = 2.68248866700197 | epot = -11.4896832798828 | etot = -5.62847190387923 +467000 ekin = 3.2759411449618 | erot = 2.69614045585464 | epot = -11.6005535052698 | etot = -5.62847190445338 +468000 ekin = 3.37571282133989 | erot = 2.71534026240071 | epot = -11.7195249887787 | etot = -5.62847190503812 +469000 ekin = 3.47128178262914 | erot = 2.73774679763144 | epot = -11.8375004858492 | etot = -5.62847190558859 +470000 ekin = 3.55617737699083 | erot = 2.76123628661372 | epot = -11.9458855696774 | etot = -5.62847190607284 +471000 ekin = 3.62463309399455 | erot = 2.78402790003972 | epot = -12.037132900502 | etot = -5.62847190646776 +472000 ekin = 3.67190559891936 | erot = 2.8047712477889 | epot = -12.1051487534637 | etot = -5.62847190675547 +473000 ekin = 3.69451868440097 | erot = 2.82263116141252 | epot = -12.1456217527324 | etot = -5.62847190691896 +474000 ekin = 3.69045746330193 | erot = 2.8373788256899 | epot = -12.1563081959362 | etot = -5.6284719069444 +475000 ekin = 3.65932116349145 | erot = 2.84946541727408 | epot = -12.1372584875892 | etot = -5.62847190682371 +476000 ekin = 3.60242486136646 | erot = 2.86004016499196 | epot = -12.0909369329169 | etot = -5.62847190655849 +477000 ekin = 3.52282746237732 | erot = 2.87088465736214 | epot = -12.0221840258998 | etot = -5.62847190616038 +478000 ekin = 3.42525452627518 | erot = 2.88424967270887 | epot = -11.9379761046485 | etot = -5.62847190566447 +479000 ekin = 3.31588349736502 | erot = 2.90254646897039 | epot = -11.8469018714502 | etot = -5.62847190511476 +480000 ekin = 3.20192949243302 | erot = 2.92801081391733 | epot = -11.7584122109274 | etot = -5.62847190457704 +481000 ekin = 3.09102106838258 | erot = 2.96227510041685 | epot = -11.6817680729317 | etot = -5.62847190413228 +482000 ekin = 2.99039932399026 | erot = 3.00590839370206 | epot = -11.6247796215548 | etot = -5.62847190386249 +483000 ekin = 2.9060569334269 | erot = 3.05799802965361 | epot = -11.5925268669148 | etot = -5.62847190383431 +484000 ekin = 2.8420017152304 | erot = 3.11586840864788 | epot = -11.5863420279555 | etot = -5.62847190407723 +485000 ekin = 2.81072036468127 | erot = 3.0366554646563 | epot = -11.4758477218727 | etot = -5.62847189253513 +486000 ekin = 2.99172671789725 | erot = 2.89028588608556 | epot = -11.5104845147091 | etot = -5.62847191072628 +487000 ekin = 3.04661020882518 | erot = 2.89516257155138 | epot = -11.5702446860095 | etot = -5.62847190563292 +488000 ekin = 3.02813445461698 | erot = 2.91755814175566 | epot = -11.5741645019067 | etot = -5.62847190553406 +489000 ekin = 3.02918173189716 | erot = 2.94703274342865 | epot = -11.6046863809268 | etot = -5.62847190560097 +490000 ekin = 3.04920929975595 | erot = 2.9829992143947 | epot = -11.6606804199702 | etot = -5.62847190581958 +491000 ekin = 3.0856462342284 | erot = 3.02458607702748 | epot = -11.7387042173738 | etot = -5.62847190611796 +492000 ekin = 3.13426650215918 | erot = 3.07113014038627 | epot = -11.8338685489821 | etot = -5.6284719064367 +493000 ekin = 3.19024782357284 | erot = 3.122467363769 | epot = -11.9411870939865 | etot = -5.62847190664467 +494000 ekin = 3.24418110404638 | erot = 3.17757093527559 | epot = -12.0502240478375 | etot = -5.62847200851552 +495000 ekin = 3.12930691887915 | erot = 3.12025770006845 | epot = -11.878036533776 | etot = -5.62847191482835 +496000 ekin = 3.38154400850358 | erot = 3.12702216682433 | epot = -12.137038139537 | etot = -5.62847196420913 +497000 ekin = 3.53796334305638 | erot = 3.21345240185708 | epot = -12.3798876661503 | etot = -5.62847192123686 +498000 ekin = 3.5472524224632 | erot = 3.31274815695996 | epot = -12.4884725006775 | etot = -5.62847192125435 +499000 ekin = 3.54686752393915 | erot = 3.42936350672876 | epot = -12.6047029520135 | etot = -5.62847192134559 +500000 ekin = 3.53611629145095 | erot = 3.56214471850545 | epot = -12.7267329314686 | etot = -5.62847192151223 +501000 ekin = 3.51474019584732 | erot = 3.70831240064401 | epot = -12.8515245182491 | etot = -5.62847192175777 +502000 ekin = 3.48291543617567 | erot = 3.86351597860162 | epot = -12.9749033367677 | etot = -5.62847192199039 +503000 ekin = 3.44167367984815 | erot = 4.02200657197324 | epot = -13.0921521741687 | etot = -5.62847192234736 +504000 ekin = 3.39166561938554 | erot = 4.17733332044561 | epot = -13.1974708625716 | etot = -5.62847192274041 +505000 ekin = 3.33344269451329 | erot = 4.32266370129412 | epot = -13.284578318939 | etot = -5.62847192313161 +506000 ekin = 3.26726906280024 | erot = 4.45157764165941 | epot = -13.3473186278586 | etot = -5.62847192339891 +507000 ekin = 3.19388361650053 | erot = 4.55898983231483 | epot = -13.3813453723001 | etot = -5.62847192348474 +508000 ekin = 3.11462724049546 | erot = 4.64207406474173 | epot = -13.3851732285711 | etot = -5.62847192333393 +509000 ekin = 3.0315455189067 | erot = 4.70083202645973 | epot = -13.3608494683217 | etot = -5.6284719229553 +510000 ekin = 2.9451305861194 | erot = 4.73730594224089 | epot = -13.310908450846 | etot = -5.62847192248573 +511000 ekin = 2.85640718494572 | erot = 4.75516581384411 | epot = -13.2400449207109 | etot = -5.6284719219211 +512000 ekin = 2.76854482524938 | erot = 4.75962991524818 | epot = -13.1566466618619 | etot = -5.62847192136436 +513000 ekin = 2.68465921482692 | erot = 4.75599513195416 | epot = -13.0691262676793 | etot = -5.62847192089823 +514000 ekin = 2.6074556831351 | erot = 4.74870168660358 | epot = -12.9846292903215 | etot = -5.62847192058282 +515000 ekin = 2.53899080263134 | erot = 4.74082869238536 | epot = -12.908291415422 | etot = -5.62847192040532 +516000 ekin = 2.48057862895574 | erot = 4.73416754062336 | epot = -12.8432180899356 | etot = -5.62847192035646 +517000 ekin = 2.43281299018871 | erot = 4.729336510708 | epot = -12.7906214212996 | etot = -5.62847192040289 +518000 ekin = 2.39567246199112 | erot = 4.72611868192627 | epot = -12.7502630644219 | etot = -5.62847192050451 +519000 ekin = 2.3686800807562 | erot = 4.7238616345607 | epot = -12.7210136359372 | etot = -5.62847192062029 +520000 ekin = 2.35109068029861 | erot = 4.72186744274753 | epot = -12.7014300437606 | etot = -5.62847192071449 +521000 ekin = 2.34207426122085 | erot = 4.71970227698317 | epot = -12.6902484589699 | etot = -5.62847192076585 +522000 ekin = 2.34085858394716 | erot = 4.71735113725647 | epot = -12.6866816419765 | etot = -5.62847192077292 +523000 ekin = 2.34541603963217 | erot = 4.65571671261041 | epot = -12.6296046827242 | etot = -5.62847193048164 +524000 ekin = 2.39460269539116 | erot = 4.5440923966837 | epot = -12.5671670123536 | etot = -5.62847192027874 +525000 ekin = 2.51755565348171 | erot = 4.49060445320171 | epot = -12.636632032408 | etot = -5.62847192572459 +526000 ekin = 2.63891940338544 | erot = 4.4967002612617 | epot = -12.7640916024326 | etot = -5.62847193778544 +527000 ekin = 2.68130557076743 | erot = 4.50503337375349 | epot = -12.814810874615 | etot = -5.62847193009407 +528000 ekin = 2.71450795009193 | erot = 4.51098798629199 | epot = -12.8539678665778 | etot = -5.62847193019388 +529000 ekin = 2.74727192392954 | erot = 4.51402301142482 | epot = -12.8897668656182 | etot = -5.62847193026387 +530000 ekin = 2.77952118313263 | erot = 4.51256666252134 | epot = -12.9205597759442 | etot = -5.62847193029021 +531000 ekin = 2.81130699778271 | erot = 4.50555264766032 | epot = -12.9453315757121 | etot = -5.62847193026907 +532000 ekin = 2.84274553227055 | erot = 4.49253106979351 | epot = -12.963748532273 | etot = -5.62847193020897 +533000 ekin = 2.87393313769259 | erot = 4.47361780232379 | epot = -12.9760228701465 | etot = -5.62847193013013 +534000 ekin = 2.90486933807277 | erot = 4.44928844614865 | epot = -12.9826297142772 | etot = -5.62847193005582 +535000 ekin = 2.93541519864921 | erot = 4.42010482063592 | epot = -12.9839919492869 | etot = -5.62847193000178 +536000 ekin = 2.96529830147375 | erot = 4.38649798394161 | epot = -12.9802682153877 | etot = -5.62847192997236 +537000 ekin = 2.99415467150676 | erot = 4.34867665835148 | epot = -12.9713032598109 | etot = -5.62847192995265 +538000 ekin = 3.02158801649127 | erot = 4.30669342608826 | epot = -12.9567533725319 | etot = -5.62847192995239 +539000 ekin = 3.0472284437342 | erot = 4.26048951904593 | epot = -12.9361898927285 | etot = -5.62847192994839 +540000 ekin = 3.07077963644109 | erot = 4.21000980478691 | epot = -12.9092613711594 | etot = -5.62847192993142 +541000 ekin = 3.09204730617341 | erot = 4.15535061585768 | epot = -12.8758698519278 | etot = -5.62847192989669 +542000 ekin = 3.11094831334513 | erot = 4.09682671838946 | epot = -12.8362469615783 | etot = -5.62847192984375 +543000 ekin = 3.12750284884244 | erot = 4.03499383131399 | epot = -12.7909686099319 | etot = -5.62847192977543 +544000 ekin = 3.14181233919874 | erot = 3.97062692620924 | epot = -12.7409111951085 | etot = -5.62847192970057 +545000 ekin = 3.154023692805 | erot = 3.90462208416962 | epot = -12.687117706602 | etot = -5.62847192962739 +546000 ekin = 3.16427777380063 | erot = 3.83809465727444 | epot = -12.6308443606344 | etot = -5.62847192955928 +547000 ekin = 3.17263245318144 | erot = 3.77248542237236 | epot = -12.5735898050858 | etot = -5.62847192953204 +548000 ekin = 3.17905114130834 | erot = 3.70842416475025 | epot = -12.5159472355979 | etot = -5.6284719295393 +549000 ekin = 3.18335924855427 | erot = 3.64619443422522 | epot = -12.4580256123189 | etot = -5.62847192953942 +550000 ekin = 3.18506506662759 | erot = 3.58603484427807 | epot = -12.399571840559 | etot = -5.62847192965338 +551000 ekin = 3.18354118868716 | erot = 3.52751972613345 | epot = -12.3395328446127 | etot = -5.62847192979206 +552000 ekin = 3.17814056102138 | erot = 3.46973317227534 | epot = -12.2763456632303 | etot = -5.62847192993357 +553000 ekin = 3.16816249049593 | erot = 3.4118771629174 | epot = -12.2085115834581 | etot = -5.62847193004478 +554000 ekin = 3.15297464057581 | erot = 3.35363386890657 | epot = -12.1350804395706 | etot = -5.62847193008825 +555000 ekin = 3.13218065542941 | erot = 3.29554931589494 | epot = -12.0562019013542 | etot = -5.62847193002985 +556000 ekin = 3.10581995743369 | erot = 3.23932890452414 | epot = -11.9736207918045 | etot = -5.62847192984666 +557000 ekin = 3.07457883897345 | erot = 3.18795403305513 | epot = -11.8910048015597 | etot = -5.62847192953115 +558000 ekin = 3.039982626527 | erot = 3.14553707333998 | epot = -11.8139916289764 | etot = -5.62847192910947 +559000 ekin = 3.00450378984011 | erot = 3.11693712835302 | epot = -11.7499128467748 | etot = -5.6284719285817 +560000 ekin = 2.97145203621646 | erot = 3.10758181985049 | epot = -11.7075057840903 | etot = -5.62847192802332 +561000 ekin = 2.94451934101013 | erot = 3.12267269753501 | epot = -11.6956639661101 | etot = -5.62847192756497 +562000 ekin = 2.92714140956565 | erot = 3.16633554922539 | epot = -11.7219488860399 | etot = -5.6284719272489 +563000 ekin = 2.92206147624849 | erot = 3.24077054354643 | epot = -11.791303946995 | etot = -5.62847192720009 +564000 ekin = 2.93031627653502 | erot = 3.3456341095667 | epot = -11.9044223136023 | etot = -5.62847192750056 +565000 ekin = 2.95068712290038 | erot = 3.47751232964411 | epot = -12.0566713806991 | etot = -5.62847192815461 +566000 ekin = 2.97962685518711 | erot = 3.62985521358398 | epot = -12.2379539978968 | etot = -5.62847192912568 +567000 ekin = 3.01171593572638 | erot = 3.79324477340409 | epot = -12.4334326394467 | etot = -5.62847193031621 +568000 ekin = 3.04054477444357 | erot = 3.956100491764 | epot = -12.6251171977961 | etot = -5.62847193158857 +569000 ekin = 3.05981811076081 | erot = 4.10576505738188 | epot = -12.7940551009263 | etot = -5.62847193278365 +570000 ekin = 3.06446758294588 | erot = 4.22987220713965 | epot = -12.9228117238275 | etot = -5.62847193374201 +571000 ekin = 3.05159191037886 | erot = 4.31782950110594 | epot = -12.9978933458114 | etot = -5.62847193432658 +572000 ekin = 3.02108996836103 | erot = 4.36217384044962 | epot = -13.0117357432594 | etot = -5.6284719344488 +573000 ekin = 2.97589592642991 | erot = 4.3595336444915 | epot = -12.9639015050087 | etot = -5.6284719340873 +574000 ekin = 2.92177260944326 | erot = 4.31098813648668 | epot = -12.8612326792292 | etot = -5.62847193329925 +575000 ekin = 2.86675845142752 | erot = 4.22206447603994 | epot = -12.7172948575062 | etot = -5.62847193003876 +576000 ekin = 2.82238695041546 | erot = 4.1100210869994 | epot = -12.5608799669327 | etot = -5.62847192951789 +577000 ekin = 2.79586021285995 | erot = 3.98405314233133 | epot = -12.408385284279 | etot = -5.62847192908767 +578000 ekin = 2.7906267864783 | erot = 3.84816173899177 | epot = -12.2672604543186 | etot = -5.62847192884853 +579000 ekin = 2.80727876764756 | erot = 3.70630768396951 | epot = -12.1420583804494 | etot = -5.62847192883231 +580000 ekin = 2.84308800285077 | erot = 3.56147502221966 | epot = -12.0330349543698 | etot = -5.62847192929934 +581000 ekin = 2.89275945170175 | erot = 3.41677708036916 | epot = -11.9380084614447 | etot = -5.62847192937377 +582000 ekin = 2.94948274099937 | erot = 3.27852635629874 | epot = -11.8564810267415 | etot = -5.62847192944344 +583000 ekin = 3.00600312782226 | erot = 3.15339507866366 | epot = -11.7878701359128 | etot = -5.6284719294269 +584000 ekin = 3.05615870304061 | erot = 3.04800743032635 | epot = -11.7326380626692 | etot = -5.62847192930228 +585000 ekin = 3.09596263909699 | erot = 2.96828908152495 | epot = -11.692723649714 | etot = -5.62847192909207 +586000 ekin = 3.12407298200318 | erot = 2.91878541589392 | epot = -11.6713303267248 | etot = -5.62847192882776 +587000 ekin = 3.14174614221827 | erot = 2.90225430093616 | epot = -11.6724723716926 | etot = -5.6284719285382 +588000 ekin = 3.15240031622927 | erot = 2.91960613643676 | epot = -11.7004783809276 | etot = -5.62847192826162 +589000 ekin = 3.16081808257205 | erot = 2.97006448175184 | epot = -11.7593544923648 | etot = -5.62847192804094 +590000 ekin = 3.17204827385661 | erot = 3.05134069928938 | epot = -11.8518609010626 | etot = -5.62847192791657 +591000 ekin = 3.19150299839625 | erot = 3.16015018734539 | epot = -11.980125113735 | etot = -5.62847192799339 +592000 ekin = 3.22264872303177 | erot = 3.29204057518903 | epot = -12.1431612265392 | etot = -5.62847192831836 +593000 ekin = 3.26585695463954 | erot = 3.44092346941412 | epot = -12.3352523529135 | etot = -5.62847192885986 +594000 ekin = 3.31918005195762 | erot = 3.59965335605276 | epot = -12.5473053375762 | etot = -5.62847192956578 +595000 ekin = 3.37897127082535 | erot = 3.76045843946065 | epot = -12.7679016405769 | etot = -5.62847193029094 +596000 ekin = 3.43824068577806 | erot = 3.91359738330063 | epot = -12.9803100017047 | etot = -5.62847193262601 +597000 ekin = 3.48744876796665 | erot = 4.04782437865019 | epot = -13.1637450798766 | etot = -5.62847193325977 +598000 ekin = 3.52187002168153 | erot = 4.15698580429437 | epot = -13.3073277595898 | etot = -5.62847193361392 +599000 ekin = 3.53831455069841 | erot = 4.23767846714294 | epot = -13.404464951527 | etot = -5.62847193368565 +600000 ekin = 3.53510970427265 | erot = 4.28920847107757 | epot = -13.4527901088679 | etot = -5.62847193351773 +601000 ekin = 3.51191041814697 | erot = 4.31320178197176 | epot = -13.4535841332986 | etot = -5.62847193317987 +602000 ekin = 3.46937521142842 | erot = 4.31295152741579 | epot = -13.4107986715908 | etot = -5.62847193274656 +603000 ekin = 3.40882221237635 | erot = 4.29270411929989 | epot = -13.3299982639554 | etot = -5.62847193227922 +604000 ekin = 3.33194570978535 | erot = 4.25705245865312 | epot = -13.2174701002569 | etot = -5.62847193181846 +605000 ekin = 3.24062643784222 | erot = 4.210522480391 | epot = -13.0796208496176 | etot = -5.62847193138435 +606000 ekin = 3.13683319322748 | erot = 4.15735875797083 | epot = -12.9226638821792 | etot = -5.62847193098084 +607000 ekin = 3.02259481107363 | erot = 4.10146703773365 | epot = -12.7525337794094 | etot = -5.62847193060207 +608000 ekin = 2.9000165225881 | erot = 4.04645475157337 | epot = -12.5749432043994 | etot = -5.62847193023795 +609000 ekin = 2.77131728807406 | erot = 3.99571460781604 | epot = -12.3955038257683 | etot = -5.62847192987821 +610000 ekin = 2.63886938890257 | erot = 3.95250622991957 | epot = -12.2198475483386 | etot = -5.62847192951647 +611000 ekin = 2.50524882250675 | erot = 3.92003293779097 | epot = -12.0537536891604 | etot = -5.62847192886263 +612000 ekin = 2.37382087282126 | erot = 3.9021886985529 | epot = -11.9044814999079 | etot = -5.62847192853369 +613000 ekin = 2.24769613363947 | erot = 3.90186788751219 | epot = -11.7780359493765 | etot = -5.6284719282248 +614000 ekin = 2.12975142863874 | erot = 3.92103062116472 | epot = -11.6792539777815 | etot = -5.628471927978 +615000 ekin = 2.02283676464884 | erot = 3.96080056830494 | epot = -11.6121092607819 | etot = -5.62847192782813 +616000 ekin = 1.92967019044788 | erot = 4.02099162186384 | epot = -11.57913374012 | etot = -5.62847192780826 +617000 ekin = 1.8527379185958 | erot = 4.09974474407168 | epot = -11.580954590615 | etot = -5.6284719279475 +618000 ekin = 1.79420296292888 | erot = 4.19322703625556 | epot = -11.6159019274439 | etot = -5.62847192825941 +619000 ekin = 1.75583197425834 | erot = 4.29552606649958 | epot = -11.6798299694868 | etot = -5.62847192872885 +620000 ekin = 1.73895870095566 | erot = 4.39891672377769 | epot = -11.7663473540353 | etot = -5.62847192930197 +621000 ekin = 1.74449834713472 | erot = 4.49462250669341 | epot = -11.8675927837155 | etot = -5.62847192988733 +622000 ekin = 1.77300875725242 | erot = 4.5740351809646 | epot = -11.9755158685958 | etot = -5.6284719303788 +623000 ekin = 1.82476626664742 | erot = 4.63011744401454 | epot = -12.0833556413538 | etot = -5.62847193069181 +624000 ekin = 1.89980556095141 | erot = 4.65854151401442 | epot = -12.1868190057611 | etot = -5.62847193079527 +625000 ekin = 1.99788931006729 | erot = 4.658170601704 | epot = -12.2845318424889 | etot = -5.62847193071759 +626000 ekin = 2.11841939006965 | erot = 4.63077870094526 | epot = -12.3776700215405 | etot = -5.62847193052559 +627000 ekin = 2.26034340499143 | erot = 4.58024268398231 | epot = -12.4690580192627 | etot = -5.62847193028895 +628000 ekin = 2.42211143981235 | erot = 4.51161612054104 | epot = -12.5621994904152 | etot = -5.6284719300618 +629000 ekin = 2.60047669410469 | erot = 4.43316974508954 | epot = -12.6621183685955 | etot = -5.62847192940125 +630000 ekin = 2.75035749002553 | erot = 4.31003905751206 | epot = -12.6888685132419 | etot = -5.6284719657043 +631000 ekin = 2.81471524142372 | erot = 4.11774535992748 | epot = -12.5609325371121 | etot = -5.62847193576093 +632000 ekin = 2.95867552213366 | erot = 4.07926707205796 | epot = -12.6664145270595 | etot = -5.62847193286783 +633000 ekin = 3.21010693588802 | erot = 4.20581326818634 | epot = -13.0443921661487 | etot = -5.62847196207437 +634000 ekin = 3.41641131494308 | erot = 4.25928215931025 | epot = -13.3041654106216 | etot = -5.62847193636831 +635000 ekin = 3.57385274070359 | erot = 4.24018711603685 | epot = -13.4425117938791 | etot = -5.62847193713862 +636000 ekin = 3.71894531188287 | erot = 4.21896102707019 | epot = -13.5663782769278 | etot = -5.62847193797475 +637000 ekin = 3.84555962844877 | erot = 4.19009538997716 | epot = -13.6641269570962 | etot = -5.62847193867029 +638000 ekin = 3.9487423272224 | erot = 4.14881281932708 | epot = -13.7260270855885 | etot = -5.62847193903898 +639000 ekin = 4.02564653200958 | erot = 4.09271382127595 | epot = -13.7468322922904 | etot = -5.62847193900491 +640000 ekin = 4.07582551368556 | erot = 4.02260436127816 | epot = -13.7269018135812 | etot = -5.62847193861744 +641000 ekin = 4.10019063766136 | erot = 3.9420341957623 | epot = -13.6706967718879 | etot = -5.62847193846427 +642000 ekin = 4.09923585995082 | erot = 3.85569636521082 | epot = -13.5834041630469 | etot = -5.62847193788524 +643000 ekin = 4.076160799789 | erot = 3.76850329644278 | epot = -13.4731360335927 | etot = -5.62847193736088 +644000 ekin = 4.03483546303947 | erot = 3.684285384223 | epot = -13.3475927842093 | etot = -5.62847193694681 +645000 ekin = 3.97939693531423 | erot = 3.60521279256606 | epot = -13.2130816645055 | etot = -5.62847193662522 +646000 ekin = 3.91424157389645 | erot = 3.53197746524735 | epot = -13.0746909754864 | etot = -5.62847193634258 +647000 ekin = 3.84412108349711 | erot = 3.46430751183409 | epot = -12.9369005315148 | etot = -5.62847193618361 +648000 ekin = 3.77442093445477 | erot = 3.40030625105817 | epot = -12.803199121379 | etot = -5.62847193586601 +649000 ekin = 3.71064844398661 | erot = 3.33902116866496 | epot = -12.6781415481958 | etot = -5.62847193554422 +650000 ekin = 3.65777288959165 | erot = 3.28036981765265 | epot = -12.566614642516 | etot = -5.62847193527174 +651000 ekin = 3.61962254750334 | erot = 3.22458240437371 | epot = -12.472676886972 | etot = -5.62847193509499 +652000 ekin = 3.59838866979736 | erot = 3.17201593045824 | epot = -12.3988765352881 | etot = -5.62847193503253 +653000 ekin = 3.59447660058636 | erot = 3.12302902489766 | epot = -12.3459775605516 | etot = -5.62847193506762 +654000 ekin = 3.60674141920663 | erot = 3.07797678372272 | epot = -12.3131901380894 | etot = -5.62847193516007 +655000 ekin = 3.6329884131312 | erot = 3.03728497080441 | epot = -12.2987453192067 | etot = -5.62847193527112 +656000 ekin = 3.67052655529805 | erot = 3.0014799030164 | epot = -12.3004783937023 | etot = -5.62847193538784 +657000 ekin = 3.71734630704556 | erot = 2.97084073554921 | epot = -12.3166589779895 | etot = -5.6284719353947 +658000 ekin = 3.75778663136504 | erot = 2.948729408581 | epot = -12.3349879987356 | etot = -5.62847195878952 +659000 ekin = 3.70128994139008 | erot = 2.99267200683485 | epot = -12.3224338839538 | etot = -5.62847193572891 +660000 ekin = 3.77980484686181 | erot = 3.05081678602526 | epot = -12.4590935969641 | etot = -5.62847196407706 +661000 ekin = 3.87674047133219 | erot = 3.02043722445613 | epot = -12.525649641152 | etot = -5.62847194536372 +662000 ekin = 3.96189665312922 | erot = 2.9729451065927 | epot = -12.5633137060284 | etot = -5.62847194630644 +663000 ekin = 4.03233992122775 | erot = 2.90724728967763 | epot = -12.5680591572364 | etot = -5.62847194633099 +664000 ekin = 4.08703350786687 | erot = 2.82371074129416 | epot = -12.5392161949729 | etot = -5.62847194581183 +665000 ekin = 4.13016908280354 | erot = 2.72591755769948 | epot = -12.4845585855571 | etot = -5.62847194505411 +666000 ekin = 4.16485763698556 | erot = 2.62158318068883 | epot = -12.4149127617504 | etot = -5.628471944076 +667000 ekin = 4.1938844423827 | erot = 2.52048046560673 | epot = -12.3428368513072 | etot = -5.6284719433178 +668000 ekin = 4.21970111369211 | erot = 2.43117566540558 | epot = -12.2793487218641 | etot = -5.62847194276645 +669000 ekin = 4.24419480066981 | erot = 2.35970998754456 | epot = -12.2323767306212 | etot = -5.62847194240684 +670000 ekin = 4.26650932844503 | erot = 2.31009212977909 | epot = -12.2050734005021 | etot = -5.62847194227794 +671000 ekin = 4.28028750584352 | erot = 2.28394068949395 | epot = -12.1927001375629 | etot = -5.62847194222542 +672000 ekin = 4.28604953818529 | erot = 2.28087700943569 | epot = -12.1953984898105 | etot = -5.62847194218953 +673000 ekin = 4.28538320985138 | erot = 2.29981058111549 | epot = -12.2136657331125 | etot = -5.62847194214558 +674000 ekin = 4.28032637890109 | erot = 2.33931519991151 | epot = -12.2481135209176 | etot = -5.62847194210497 +675000 ekin = 4.27310613147522 | erot = 2.3977054633075 | epot = -12.2992835368984 | etot = -5.62847194211566 +676000 ekin = 4.26563141847785 | erot = 2.47283047851769 | epot = -12.3669338392713 | etot = -5.62847194227575 +677000 ekin = 4.25873601028162 | erot = 2.5615947513181 | epot = -12.4488027042337 | etot = -5.62847194263396 +678000 ekin = 4.25154383411717 | erot = 2.65951246657549 | epot = -12.5395282439332 | etot = -5.62847194324054 +679000 ekin = 4.24120573467262 | erot = 2.76057514745448 | epot = -12.6302528261675 | etot = -5.62847194404044 +680000 ekin = 4.2232005118335 | erot = 2.85770689098673 | epot = -12.7093793476907 | etot = -5.62847194487046 +681000 ekin = 4.19242845454634 | erot = 2.94400272540728 | epot = -12.7649031254536 | etot = -5.62847194549999 +682000 ekin = 4.14477706340841 | erot = 3.01435956380649 | epot = -12.7876085729617 | etot = -5.62847194574678 +683000 ekin = 4.07850194582787 | erot = 3.06669689301665 | epot = -12.7736707844063 | etot = -5.62847194556178 +684000 ekin = 3.98766788584427 | erot = 3.09062770647999 | epot = -12.7067675427114 | etot = -5.6284719503871 +685000 ekin = 3.87609976033734 | erot = 3.07213118853044 | epot = -12.5767028925454 | etot = -5.62847194367757 +686000 ekin = 3.78865422794909 | erot = 3.05379982528032 | epot = -12.4709259955805 | etot = -5.62847194235105 +687000 ekin = 3.72885638126477 | erot = 3.05128310396259 | epot = -12.4086114324593 | etot = -5.62847194723192 +688000 ekin = 3.65488085468173 | erot = 3.04382149764254 | epot = -12.3271742986651 | etot = -5.62847194634081 +689000 ekin = 3.57606770151101 | erot = 3.03834252499959 | epot = -12.2428821721451 | etot = -5.62847194563445 +690000 ekin = 3.51634425569074 | erot = 3.04775260792024 | epot = -12.1925688087327 | etot = -5.62847194512173 +691000 ekin = 3.47971445755389 | erot = 3.0762235847613 | epot = -12.1844099871832 | etot = -5.62847194486798 +692000 ekin = 3.46765181271641 | erot = 3.12642449715769 | epot = -12.2225482548088 | etot = -5.62847194493469 +693000 ekin = 3.47854301569186 | erot = 3.19918358098414 | epot = -12.3061985420115 | etot = -5.62847194533546 +694000 ekin = 3.50760869816785 | erot = 3.29340441046179 | epot = -12.4294850546422 | etot = -5.62847194601257 +695000 ekin = 3.54747029179261 | erot = 3.4063794790627 | epot = -12.5823217177036 | etot = -5.62847194684826 +696000 ekin = 3.58927155179387 | erot = 3.53441505487526 | epot = -12.7521585543738 | etot = -5.62847194770465 +697000 ekin = 3.62399868536214 | erot = 3.67347767298908 | epot = -12.9259483068109 | etot = -5.62847194845967 +698000 ekin = 3.64429609768408 | erot = 3.81929275592912 | epot = -13.0920608027184 | etot = -5.62847194910516 +699000 ekin = 3.64411727661991 | erot = 3.9682691228859 | epot = -13.2408583490265 | etot = -5.62847194952073 +700000 ekin = 3.61972386486635 | erot = 4.11779628916703 | epot = -13.3659921037213 | etot = -5.62847194968793 +701000 ekin = 3.57045543139896 | erot = 4.2660564512704 | epot = -13.4649838324058 | etot = -5.62847194973641 +702000 ekin = 3.49917622955587 | erot = 4.41037029504254 | epot = -13.5380184742101 | etot = -5.62847194961164 +703000 ekin = 3.41079978152663 | erot = 4.54773448487633 | epot = -13.5870062157827 | etot = -5.62847194937978 +704000 ekin = 3.3114965725397 | erot = 4.6756046409908 | epot = -13.6155731626146 | etot = -5.62847194908408 +705000 ekin = 3.20807903045004 | erot = 4.79162132898958 | epot = -13.6281723082223 | etot = -5.62847194878265 +706000 ekin = 3.10702043893515 | erot = 4.89365607515408 | epot = -13.6291484626345 | etot = -5.62847194854522 +707000 ekin = 3.01353531406683 | erot = 4.97967086429038 | epot = -13.6216781267981 | etot = -5.62847194844094 +708000 ekin = 2.93091332941399 | erot = 5.04739802068841 | epot = -13.6067832986194 | etot = -5.628471948517 +709000 ekin = 2.86026033869288 | erot = 5.09399325404994 | epot = -13.5827255415173 | etot = -5.6284719487745 +710000 ekin = 2.80069789530487 | erot = 5.11589857305232 | epot = -13.5450684175168 | etot = -5.62847194915956 +711000 ekin = 2.74994326396353 | erot = 5.10911210239552 | epot = -13.4875273159283 | etot = -5.62847194956922 +712000 ekin = 2.70509857015251 | erot = 5.06990681763261 | epot = -13.4034773376645 | etot = -5.62847194987941 +713000 ekin = 2.66343594230655 | erot = 4.99582282597876 | epot = -13.2877307182695 | etot = -5.62847194998418 +714000 ekin = 2.62297982855774 | erot = 4.88658411840125 | epot = -13.1380358967925 | etot = -5.62847194983347 +715000 ekin = 2.58275404748664 | erot = 4.74456650534358 | epot = -12.9557925022798 | etot = -5.62847194944956 +716000 ekin = 2.54267933968741 | erot = 4.57461726490259 | epot = -12.7457685535018 | etot = -5.62847194891177 +717000 ekin = 2.50334692005626 | erot = 4.38348005478918 | epot = -12.5152989228446 | etot = -5.62847194799919 +718000 ekin = 2.46867182037462 | erot = 4.18280619321959 | epot = -12.2799499613367 | etot = -5.62847194774247 +719000 ekin = 2.44027484649155 | erot = 3.97913844302635 | epot = -12.0478852370095 | etot = -5.62847194749158 +720000 ekin = 2.41790751016686 | erot = 3.77617089323842 | epot = -11.8225503506562 | etot = -5.62847194725097 +721000 ekin = 2.4013090030809 | erot = 3.57751641392362 | epot = -11.6072973640278 | etot = -5.62847194702331 +722000 ekin = 2.39001969427645 | erot = 3.38620933361414 | epot = -11.4047009749069 | etot = -5.62847194701633 +723000 ekin = 2.38288808203368 | erot = 3.20447847618438 | epot = -11.215838504937 | etot = -5.62847194671893 +724000 ekin = 2.38038137244362 | erot = 3.03585463103371 | epot = -11.0447079499256 | etot = -5.62847194644831 +725000 ekin = 2.38334904372001 | erot = 2.88343528884769 | epot = -10.8952562787756 | etot = -5.62847194620792 +726000 ekin = 2.39277988807282 | erot = 2.74974572532646 | epot = -10.7709975594025 | etot = -5.62847194600324 +727000 ekin = 2.40968215732956 | erot = 2.63676770307688 | epot = -10.6749218062468 | etot = -5.62847194584036 +728000 ekin = 2.42515137983546 | erot = 2.54412147900357 | epot = -10.5977448181919 | etot = -5.62847195935292 +729000 ekin = 2.40297855334107 | erot = 2.5147599996189 | epot = -10.5462104923891 | etot = -5.62847193942917 +730000 ekin = 2.46310039284473 | erot = 2.5408883827304 | epot = -10.6324607145523 | etot = -5.62847193897719 +731000 ekin = 2.53308642097414 | erot = 2.5495438694937 | epot = -10.7111022295357 | etot = -5.62847193906789 +732000 ekin = 2.61398262096627 | erot = 2.58024874608507 | epot = -10.8227033063277 | etot = -5.62847193927639 +733000 ekin = 2.704048584519 | erot = 2.63167940204765 | epot = -10.9641999262121 | etot = -5.62847193964548 +734000 ekin = 2.80051950073999 | erot = 2.70132929849079 | epot = -11.1303207394526 | etot = -5.62847194022178 +735000 ekin = 2.89941283725732 | erot = 2.78510796771905 | epot = -11.3129927460112 | etot = -5.62847194103486 +736000 ekin = 2.99560133067684 | erot = 2.87741009025007 | epot = -11.5014833620231 | etot = -5.62847194109622 +737000 ekin = 3.08481605492428 | erot = 2.97524489368851 | epot = -11.6885328905953 | etot = -5.62847194198254 +738000 ekin = 3.16217862825841 | erot = 3.07317374877763 | epot = -11.8638243198366 | etot = -5.62847194280053 +739000 ekin = 3.2233603722403 | erot = 3.16493875128737 | epot = -12.0167710668757 | etot = -5.62847194334805 +740000 ekin = 3.26585131628546 | erot = 3.24522139633931 | epot = -12.1395446570561 | etot = -5.62847194443136 +741000 ekin = 3.28375382512678 | erot = 3.29991441183865 | epot = -12.2121401813946 | etot = -5.62847194442916 +742000 ekin = 3.27631313155608 | erot = 3.32408611703107 | epot = -12.2288711925279 | etot = -5.62847194394075 +743000 ekin = 3.24737724810676 | erot = 3.32046927265112 | epot = -12.1963184639576 | etot = -5.62847194319976 +744000 ekin = 3.20210603620692 | erot = 3.294015511799 | epot = -12.1245934904241 | etot = -5.62847194241819 +745000 ekin = 3.14567705905112 | erot = 3.25033567001763 | epot = -12.024484670782 | etot = -5.62847194171325 +746000 ekin = 3.08279906289069 | erot = 3.19521988685792 | epot = -11.9064908906143 | etot = -5.62847194086568 +747000 ekin = 3.01768881751512 | erot = 3.13473855311027 | epot = -11.7808993110087 | etot = -5.62847194038335 +748000 ekin = 2.95302867444292 | erot = 3.07321432141834 | epot = -11.6547149358074 | etot = -5.62847193994612 +749000 ekin = 2.89104396146017 | erot = 3.01469856695175 | epot = -11.5342144679434 | etot = -5.62847193953148 +750000 ekin = 2.83379417430944 | erot = 2.96315742645413 | epot = -11.4254235398979 | etot = -5.6284719391343 +751000 ekin = 2.78329891282507 | erot = 2.9224177744474 | epot = -11.3341886260363 | etot = -5.62847193876383 +752000 ekin = 2.74156846318393 | erot = 2.89600799312975 | epot = -11.2660483947513 | etot = -5.62847193843758 +753000 ekin = 2.71056677631148 | erot = 2.88693753444123 | epot = -11.2259762489326 | etot = -5.62847193817986 +754000 ekin = 2.69212502654351 | erot = 2.89743125949813 | epot = -11.2180282240637 | etot = -5.62847193802201 +755000 ekin = 2.6877653835852 | erot = 2.928498710925 | epot = -11.2447360325848 | etot = -5.62847193807463 +756000 ekin = 2.69845743031617 | erot = 2.97938409367356 | epot = -11.306313462225 | etot = -5.62847193823524 +757000 ekin = 2.72458496413561 | erot = 3.04788425631061 | epot = -11.4009411590836 | etot = -5.62847193863741 +758000 ekin = 2.76540921283034 | erot = 3.12962823291443 | epot = -11.5235093850627 | etot = -5.6284719393179 +759000 ekin = 2.81868342066529 | erot = 3.21794575404794 | epot = -11.6651011149743 | etot = -5.62847194026106 +760000 ekin = 2.88053746483065 | erot = 3.30429272411189 | epot = -11.8133021302896 | etot = -5.62847194134709 +761000 ekin = 2.94600007680037 | erot = 3.37947250562756 | epot = -11.953944524754 | etot = -5.6284719423261 +762000 ekin = 3.01037281092737 | erot = 3.43568700387917 | epot = -12.0745317576972 | etot = -5.62847194289063 +763000 ekin = 3.07103775545926 | erot = 3.46881600090596 | epot = -12.1683256992094 | etot = -5.62847194284419 +764000 ekin = 3.12866395092591 | erot = 3.4797503971339 | epot = -12.236886290297 | etot = -5.62847194223723 +765000 ekin = 3.18696433146488 | erot = 3.47390232179098 | epot = -12.2893385945895 | etot = -5.62847194133365 +766000 ekin = 3.25112146476814 | erot = 3.45917589093114 | epot = -12.3387692961499 | etot = -5.62847194045064 +767000 ekin = 3.32577328229762 | erot = 3.44357056041142 | epot = -12.3978157825305 | etot = -5.62847193982147 +768000 ekin = 3.41341833407264 | erot = 3.43342634964742 | epot = -12.475316623275 | etot = -5.62847193955494 +769000 ekin = 3.5136159797232 | erot = 3.43258837722228 | epot = -12.5746762966054 | etot = -5.62847193965994 +770000 ekin = 3.62296220629094 | erot = 3.44225950952588 | epot = -12.6936936559007 | etot = -5.62847194008384 +771000 ekin = 3.67754209912591 | erot = 3.42051682736877 | epot = -12.7265308943046 | etot = -5.62847196780991 +772000 ekin = 3.59351734120376 | erot = 3.3584968550635 | epot = -12.5804861298099 | etot = -5.62847193354268 +773000 ekin = 3.58504863486503 | erot = 3.48413941929351 | epot = -12.6976599874309 | etot = -5.6284719332724 +774000 ekin = 3.69556246693316 | erot = 3.75600381558271 | epot = -13.080038251317 | etot = -5.62847196880115 +775000 ekin = 3.75799647030805 | erot = 3.87395641031774 | epot = -13.2604248531724 | etot = -5.62847197254658 +776000 ekin = 3.76514931049521 | erot = 3.89275295634025 | epot = -13.2863742395547 | etot = -5.62847197271923 +777000 ekin = 3.74852837975917 | erot = 3.88975944424646 | epot = -13.2667597963548 | etot = -5.62847197234917 +778000 ekin = 3.71300754059353 | erot = 3.86527182221224 | epot = -13.2067513344401 | etot = -5.6284719716343 +779000 ekin = 3.66665793112593 | erot = 3.82295167591176 | epot = -13.1180815775701 | etot = -5.62847197053246 +780000 ekin = 3.61972773179476 | erot = 3.76957330535322 | epot = -13.0177730064367 | etot = -5.62847196928869 +781000 ekin = 3.58276242557081 | erot = 3.71368279721232 | epot = -12.9249171909853 | etot = -5.62847196820216 +782000 ekin = 3.56434384316015 | erot = 3.66344621658085 | epot = -12.856262027254 | etot = -5.62847196751304 +783000 ekin = 3.56907083402848 | erot = 3.62459601401305 | epot = -12.8221388154979 | etot = -5.62847196745638 +784000 ekin = 3.59655578195885 | erot = 3.59908724287649 | epot = -12.8241149926476 | etot = -5.62847196781224 +785000 ekin = 3.64263842895723 | erot = 3.58559579698648 | epot = -12.8567061944369 | etot = -5.62847196849322 +786000 ekin = 3.70061363576283 | erot = 3.58032714309407 | epot = -12.9094127481439 | etot = -5.62847196928699 +787000 ekin = 3.76290289532741 | erot = 3.57827846505882 | epot = -12.9696533304352 | etot = -5.62847197004894 +788000 ekin = 3.8223069124302 | erot = 3.5743207934823 | epot = -13.0250996765887 | etot = -5.6284719706762 +789000 ekin = 3.87288355996755 | erot = 3.56402750525542 | epot = -13.0653830363309 | etot = -5.62847197110791 +790000 ekin = 3.91054381103969 | erot = 3.54422213343056 | epot = -13.0832379157399 | etot = -5.62847197126964 +791000 ekin = 3.93344679975163 | erot = 3.51333982568902 | epot = -13.0752585966263 | etot = -5.62847197118567 +792000 ekin = 3.94193166965662 | erot = 3.47142235465919 | epot = -13.0418259952225 | etot = -5.62847197090671 +793000 ekin = 3.93805337446381 | erot = 3.41982689831729 | epot = -12.9863522432875 | etot = -5.62847197050639 +794000 ekin = 3.92496167480954 | erot = 3.36081973463659 | epot = -12.9142533795016 | etot = -5.62847197005551 +795000 ekin = 3.9063184317544 | erot = 3.29713731817139 | epot = -12.8319277195354 | etot = -5.62847196960964 +796000 ekin = 3.88587920063779 | erot = 3.23158100792164 | epot = -12.745932177765 | etot = -5.62847196920561 +797000 ekin = 3.86724402793311 | erot = 3.16668037637107 | epot = -12.6623963731684 | etot = -5.62847196886419 +798000 ekin = 3.85371944422422 | erot = 3.10446220715859 | epot = -12.5866536199751 | etot = -5.62847196859227 +799000 ekin = 3.84821326092654 | erot = 3.04637406866006 | epot = -12.5230592979746 | etot = -5.62847196838804 +800000 ekin = 3.85308746082701 | erot = 2.99338091126559 | epot = -12.474940340337 | etot = -5.62847196824438 +801000 ekin = 3.86994742083567 | erot = 2.94620265059397 | epot = -12.4446220395853 | etot = -5.62847196815562 +802000 ekin = 3.89938743521584 | erot = 2.90559564219863 | epot = -12.4334550455353 | etot = -5.62847196812086 +803000 ekin = 3.94077451951464 | erot = 2.8725536316443 | epot = -12.4418001193023 | etot = -5.62847196814334 +804000 ekin = 3.992174455156 | erot = 2.84833794155936 | epot = -12.4689843649416 | etot = -5.62847196822621 +805000 ekin = 4.05048829003811 | erot = 2.83432176456862 | epot = -12.5132820229749 | etot = -5.62847196836813 +806000 ekin = 4.11178329733929 | erot = 2.83170980342237 | epot = -12.5719650693255 | etot = -5.62847196856381 +807000 ekin = 4.17172086379981 | erot = 2.84122318449694 | epot = -12.6414160171043 | etot = -5.62847196880753 +808000 ekin = 4.22595471211098 | erot = 2.86283161279705 | epot = -12.7172582940025 | etot = -5.62847196909444 +809000 ekin = 4.27041103459019 | erot = 2.89559061413246 | epot = -12.7944736181418 | etot = -5.62847196941918 +810000 ekin = 4.30143579161335 | erot = 2.93761851692464 | epot = -12.8675262783088 | etot = -5.62847196977087 +811000 ekin = 4.31585912498473 | erot = 2.98622782411963 | epot = -12.9305589192329 | etot = -5.62847197012855 +812000 ekin = 4.31104963144209 | erot = 3.03819974772186 | epot = -12.9777213496236 | etot = -5.62847197045961 +813000 ekin = 4.28501152870088 | erot = 3.09015837117713 | epot = -13.0036418706033 | etot = -5.62847197072532 +814000 ekin = 4.23653530268496 | erot = 3.13897206771779 | epot = -13.0039793412913 | etot = -5.6284719708885 +815000 ekin = 4.16537042780704 | erot = 3.18209773884163 | epot = -12.9759401375723 | etot = -5.62847197092361 +816000 ekin = 4.0723651748252 | erot = 3.21779646454099 | epot = -12.9186336101891 | etot = -5.6284719708229 +817000 ekin = 3.95951977440384 | erot = 3.24518380301937 | epot = -12.8331755480214 | etot = -5.62847197059822 +818000 ekin = 3.8299176268559 | erot = 3.26412066908298 | epot = -12.7225102662203 | etot = -5.62847197028138 +819000 ekin = 3.68753356704803 | erot = 3.2749890293617 | epot = -12.5909945663147 | etot = -5.62847196990494 +820000 ekin = 3.53699106775342 | erot = 3.27842149115945 | epot = -12.4438845284247 | etot = -5.62847196951186 +821000 ekin = 3.38323613843139 | erot = 3.27505502188844 | epot = -12.2867631294542 | etot = -5.62847196913438 +822000 ekin = 3.23123737421303 | erot = 3.26537695375067 | epot = -12.1250862967552 | etot = -5.62847196879146 +823000 ekin = 3.08574116264606 | erot = 3.24970236684612 | epot = -11.9639154979793 | etot = -5.62847196848715 +824000 ekin = 2.9510991983436 | erot = 3.22828590286759 | epot = -11.8078570694242 | etot = -5.62847196821301 +825000 ekin = 2.8311716727824 | erot = 3.20152981096286 | epot = -11.6611734516996 | etot = -5.62847196795438 +826000 ekin = 2.72929448912935 | erot = 3.17021233026683 | epot = -11.5279787870942 | etot = -5.62847196769802 +827000 ekin = 2.64828540283224 | erot = 3.13564460944143 | epot = -11.4124019797145 | etot = -5.62847196744083 +828000 ekin = 2.59045268678287 | erot = 3.09968027868469 | epot = -11.3186049326611 | etot = -5.62847196719356 +829000 ekin = 2.55756748898929 | erot = 3.06454892031733 | epot = -11.2505883762886 | etot = -5.62847196698197 +830000 ekin = 2.55077388282834 | erot = 3.03254604853091 | epot = -11.2117918981989 | etot = -5.62847196683961 +831000 ekin = 2.5704372593064 | erot = 3.00566097440441 | epot = -11.2045702005099 | etot = -5.62847196679914 +832000 ekin = 2.61596870967331 | erot = 2.98524787918955 | epot = -11.2296885557457 | etot = -5.6284719668828 +833000 ekin = 2.68568117685698 | erot = 2.97182255658061 | epot = -11.2859757005329 | etot = -5.62847196709536 +834000 ekin = 2.77673677953563 | erot = 2.96502424291077 | epot = -11.3702329898702 | etot = -5.62847196742382 +835000 ekin = 2.88522064137063 | erot = 2.96372965171537 | epot = -11.4774222609262 | etot = -5.62847196784022 +836000 ekin = 3.00633984429238 | erot = 2.9662686051896 | epot = -11.6010804177916 | etot = -5.62847196830963 +837000 ekin = 3.13471078770169 | erot = 2.97067133236171 | epot = -11.7338540888613 | etot = -5.62847196879791 +838000 ekin = 3.2646797688615 | erot = 2.97489019079408 | epot = -11.8680419289321 | etot = -5.6284719692765 +839000 ekin = 3.39062362028674 | erot = 2.97696578886047 | epot = -11.9960613788722 | etot = -5.62847196972498 +840000 ekin = 3.50719614094131 | erot = 2.97513773468309 | epot = -12.110805845754 | etot = -5.62847197012965 +841000 ekin = 3.6095143031902 | erot = 2.96792302656663 | epot = -12.205909300235 | etot = -5.62847197047821 +842000 ekin = 3.69330308269465 | erot = 2.95419217499661 | epot = -12.2759672284492 | etot = -5.62847197075789 +843000 ekin = 3.75502927972068 | erot = 2.93326273012204 | epot = -12.3167639807943 | etot = -5.62847197095162 +844000 ekin = 3.79205095676114 | erot = 2.90501003325241 | epot = -12.3255329610536 | etot = -5.62847197104003 +845000 ekin = 3.80278826916113 | erot = 2.86997708374397 | epot = -12.3012373239095 | etot = -5.6284719710044 +846000 ekin = 3.7868907831117 | erot = 2.82944607213409 | epot = -12.2448088260797 | etot = -5.62847197083392 +847000 ekin = 3.74534923711505 | erot = 2.78543387975461 | epot = -12.1592550874022 | etot = -5.62847197053249 +848000 ekin = 3.68048960876388 | erot = 2.74058491210611 | epot = -12.0495464909921 | etot = -5.6284719701221 +849000 ekin = 3.59580402250911 | erot = 2.6979547346253 | epot = -11.9222307267798 | etot = -5.62847196964534 +850000 ekin = 3.49561210992167 | erot = 2.66069826286262 | epot = -11.7847823419402 | etot = -5.62847196915593 +851000 ekin = 3.38460421156482 | erot = 2.63169878981261 | epot = -11.6447749700886 | etot = -5.62847196871115 +852000 ekin = 3.2673583461708 | erot = 2.61319105472478 | epot = -11.5090213692559 | etot = -5.62847196836028 +853000 ekin = 3.14792970820425 | erot = 2.6064404595508 | epot = -11.3828421358873 | etot = -5.62847196813225 +854000 ekin = 3.02961721482008 | erot = 2.61155167708395 | epot = -11.2696408599309 | etot = -5.62847196802691 +855000 ekin = 2.91497870639192 | erot = 2.62749311900426 | epot = -11.1709437934187 | etot = -5.6284719680225 +856000 ekin = 2.80592683640508 | erot = 2.65229723518904 | epot = -11.0866960396745 | etot = -5.62847196808038 +857000 ekin = 2.70394323106257 | erot = 2.68342637128184 | epot = -11.0158415705022 | etot = -5.62847196815778 +858000 ekin = 2.61028085018917 | erot = 2.7182087445085 | epot = -10.9569615629193 | etot = -5.62847196822162 +859000 ekin = 2.52608469683041 | erot = 2.75423459862355 | epot = -10.9087912637081 | etot = -5.62847196825415 +860000 ekin = 2.45241725334247 | erot = 2.78962480116096 | epot = -10.8705140227566 | etot = -5.62847196825313 +861000 ekin = 2.39021948320316 | erot = 2.82313150338326 | epot = -10.8418229548146 | etot = -5.62847196822818 +862000 ekin = 2.34025129546523 | erot = 2.85407946378513 | epot = -10.822802727446 | etot = -5.62847196819566 +863000 ekin = 2.30304188835595 | erot = 2.88219277632016 | epot = -10.813706632849 | etot = -5.62847196817294 +864000 ekin = 2.27886006072096 | erot = 2.90737073870793 | epot = -10.8147027676044 | etot = -5.62847196817555 +865000 ekin = 2.26770197244177 | erot = 2.92947677471433 | epot = -10.825650715369 | etot = -5.6284719682129 +866000 ekin = 2.26929189300013 | erot = 2.94819404241867 | epot = -10.8459579037059 | etot = -5.62847196828711 +867000 ekin = 2.28309242230586 | erot = 2.96298089308274 | epot = -10.8745452837802 | etot = -5.62847196839164 +868000 ekin = 2.30832281717956 | erot = 2.97313399093992 | epot = -10.9099287766329 | etot = -5.62847196851338 +869000 ekin = 2.34398135175733 | erot = 2.97793980532902 | epot = -10.9503931257227 | etot = -5.62847196863633 +870000 ekin = 2.3888674476675 | erot = 2.97686809818229 | epot = -10.9942075145963 | etot = -5.62847196874653 +871000 ekin = 2.44159861809647 | erot = 2.96974175424173 | epot = -11.0398123411752 | etot = -5.62847196883697 +872000 ekin = 2.500619616053 | erot = 2.95681803699978 | epot = -11.0859096219628 | etot = -5.62847196890998 +873000 ekin = 2.56420808139324 | erot = 2.93874614074125 | epot = -11.1314261911097 | etot = -5.62847196897516 +874000 ekin = 2.63049127025364 | erot = 2.91641905805231 | epot = -11.1753822973487 | etot = -5.62847196904273 +875000 ekin = 2.69749664450509 | erot = 2.89079069041083 | epot = -11.2167593040308 | etot = -5.62847196911489 +876000 ekin = 2.76325740882321 | erot = 2.86275138608941 | epot = -11.2544807640928 | etot = -5.62847196918014 +877000 ekin = 2.82597857073924 | erot = 2.83312911678617 | epot = -11.2875796567397 | etot = -5.62847196921427 +878000 ekin = 2.88426506041778 | erot = 2.80282960099576 | epot = -11.3155666305523 | etot = -5.62847196913875 +879000 ekin = 2.93899285505317 | erot = 2.77402557771481 | epot = -11.3414904016818 | etot = -5.62847196891381 +880000 ekin = 2.99074429493992 | erot = 2.74904466423746 | epot = -11.3682609281216 | etot = -5.62847196894421 +881000 ekin = 3.03734868979927 | erot = 2.72816458116911 | epot = -11.3939852397512 | etot = -5.62847196878281 +882000 ekin = 3.07935286329043 | erot = 2.71303253547246 | epot = -11.4208573673789 | etot = -5.62847196861602 +883000 ekin = 3.11756797084552 | erot = 2.70517731879082 | epot = -11.4512172581187 | etot = -5.62847196848236 +884000 ekin = 3.15280252848168 | erot = 2.70569769640385 | epot = -11.486972193293 | etot = -5.62847196840746 +885000 ekin = 3.18571613205173 | erot = 2.71504911575347 | epot = -11.5292372162097 | etot = -5.62847196840455 +886000 ekin = 3.21676773387613 | erot = 2.7329058008883 | epot = -11.5781455032431 | etot = -5.6284719684787 +887000 ekin = 3.24623562424243 | erot = 2.75806669121019 | epot = -11.6327742840859 | etot = -5.62847196863332 +888000 ekin = 3.27425942012452 | erot = 2.78837179681905 | epot = -11.6911031858155 | etot = -5.62847196887192 +889000 ekin = 3.30086478887179 | erot = 2.82064068491563 | epot = -11.7499774429801 | etot = -5.62847196919267 +890000 ekin = 3.3259692487092 | erot = 2.85071439961825 | epot = -11.805155617902 | etot = -5.62847196957451 +891000 ekin = 3.34941253238938 | erot = 2.87373382358962 | epot = -11.8516183259426 | etot = -5.62847196996364 +892000 ekin = 3.37107523562693 | erot = 2.88476437040179 | epot = -11.8843115763022 | etot = -5.62847197027351 +893000 ekin = 3.39111185107035 | erot = 2.87974242660312 | epot = -11.8993262480791 | etot = -5.62847197040564 +894000 ekin = 3.4102321291952 | erot = 2.85650829429513 | epot = -11.895212393781 | etot = -5.62847197029071 +895000 ekin = 3.4298773086987 | erot = 2.81553499424091 | epot = -11.8738842728666 | etot = -5.62847196992698 +896000 ekin = 3.45214148974819 | erot = 2.76001213086012 | epot = -11.8406255899945 | etot = -5.62847196938618 +897000 ekin = 3.47941735610567 | erot = 2.69521466348942 | epot = -11.8031039883802 | etot = -5.6284719687851 +898000 ekin = 3.51352962041553 | erot = 2.62737086724796 | epot = -11.7693724690737 | etot = -5.62847198141017 +899000 ekin = 3.48893911457665 | erot = 2.56291214065495 | epot = -11.6803232246884 | etot = -5.62847196945683 +900000 ekin = 3.45535689334339 | erot = 2.55015985128176 | epot = -11.6339887069773 | etot = -5.62847196235217 +901000 ekin = 3.50186288143693 | erot = 2.58894159239397 | epot = -11.7192764496102 | etot = -5.62847197577932 +902000 ekin = 3.5661021361054 | erot = 2.58196928658372 | epot = -11.7765433952423 | etot = -5.6284719725532 +903000 ekin = 3.62814875862408 | erot = 2.56232070366863 | epot = -11.8189414352198 | etot = -5.62847197292713 +904000 ekin = 3.69112394796104 | erot = 2.55247638433754 | epot = -11.8720723057126 | etot = -5.62847197341403 +905000 ekin = 3.7509128055889 | erot = 2.54985569692194 | epot = -11.9292404764333 | etot = -5.62847197392247 +906000 ekin = 3.80322506785235 | erot = 2.55191272424328 | epot = -11.9836097664451 | etot = -5.62847197434945 +907000 ekin = 3.8443422905769 | erot = 2.55683360451709 | epot = -12.0296478697021 | etot = -5.62847197460815 +908000 ekin = 3.8719006442339 | erot = 2.56394104682641 | epot = -12.0643136657174 | etot = -5.62847197465711 +909000 ekin = 3.88547927567113 | erot = 2.57365301072747 | epot = -12.0876042609108 | etot = -5.62847197451219 +910000 ekin = 3.88680451139339 | erot = 2.5870243564951 | epot = -12.1023008421247 | etot = -5.62847197423622 +911000 ekin = 3.87951720468961 | erot = 2.6050879623703 | epot = -12.1130771409705 | etot = -5.62847197391058 +912000 ekin = 3.86859233859162 | erot = 2.62827701303798 | epot = -12.1253413252393 | etot = -5.62847197360974 +913000 ekin = 3.85955913456261 | erot = 2.65612234870647 | epot = -12.14415345666 | etot = -5.62847197339095 +914000 ekin = 3.85765974452869 | erot = 2.68725904716219 | epot = -12.173390764377 | etot = -5.62847197268608 +915000 ekin = 3.86988559132831 | erot = 2.72155495896482 | epot = -12.219912523155 | etot = -5.62847197286191 +916000 ekin = 3.89721211279105 | erot = 2.75899199674868 | epot = -12.2846760828075 | etot = -5.62847197326774 +917000 ekin = 3.93597306439209 | erot = 2.79756616560857 | epot = -12.3620112037081 | etot = -5.62847197370745 +918000 ekin = 3.98211349749628 | erot = 2.83523643843263 | epot = -12.4458219100817 | etot = -5.6284719741528 +919000 ekin = 4.03109884414175 | erot = 2.86939983142179 | epot = -12.5289706511467 | etot = -5.62847197558313 +920000 ekin = 4.07575007007163 | erot = 2.89203459277258 | epot = -12.5962566387455 | etot = -5.62847197590126 +921000 ekin = 4.11121320371463 | erot = 2.89963705915855 | epot = -12.6393222395139 | etot = -5.62847197664073 +922000 ekin = 4.12946329331047 | erot = 2.89101491395262 | epot = -12.6489501841751 | etot = -5.62847197691201 +923000 ekin = 4.12574551821064 | erot = 2.86656720110585 | epot = -12.6207846962139 | etot = -5.62847197689736 +924000 ekin = 4.09806255856886 | erot = 2.8281743701107 | epot = -12.5547089053139 | etot = -5.62847197663431 +925000 ekin = 4.04683813175561 | erot = 2.77889166059353 | epot = -12.4542017685711 | etot = -5.62847197622196 +926000 ekin = 3.97415980884028 | erot = 2.72240485506924 | epot = -12.3250366396764 | etot = -5.62847197576684 +927000 ekin = 3.88290109598325 | erot = 2.66247239405016 | epot = -12.1738454653642 | etot = -5.62847197533078 +928000 ekin = 3.77619172564078 | erot = 2.60258197099968 | epot = -12.0072456715511 | etot = -5.62847197491066 +929000 ekin = 3.65741733898654 | erot = 2.54590496147566 | epot = -11.8317942749248 | etot = -5.62847197446256 +930000 ekin = 3.53056331325702 | erot = 2.49545263325868 | epot = -11.6544879204598 | etot = -5.62847197394412 +931000 ekin = 3.4005452585423 | erot = 2.45429284761135 | epot = -11.4833100791872 | etot = -5.62847197303357 +932000 ekin = 3.27351307254188 | erot = 2.42812142781794 | epot = -11.3301064729948 | etot = -5.62847197263502 +933000 ekin = 3.15479412762404 | erot = 2.4201742871754 | epot = -11.2034403870324 | etot = -5.628471972233 +934000 ekin = 3.04934557157637 | erot = 2.43124949772708 | epot = -11.1090670411841 | etot = -5.62847197188061 +935000 ekin = 2.96178382671725 | erot = 2.46165171577527 | epot = -11.0519075141149 | etot = -5.62847197162238 +936000 ekin = 2.89581269331775 | erot = 2.51113391217417 | epot = -11.0354185769758 | etot = -5.6284719714839 +937000 ekin = 2.85385879458329 | erot = 2.57889786067944 | epot = -11.061228626733 | etot = -5.62847197147029 +938000 ekin = 2.83694342945423 | erot = 2.66364816189635 | epot = -11.1290635629205 | etot = -5.6284719715699 +939000 ekin = 2.84476696195415 | erot = 2.76369076698157 | epot = -11.2369297006932 | etot = -5.62847197175744 +940000 ekin = 2.8759532044385 | erot = 2.87707537856042 | epot = -11.3815005549978 | etot = -5.62847197199888 +941000 ekin = 2.92838858131787 | erot = 3.00178159707388 | epot = -11.5586421506475 | etot = -5.62847197225574 +942000 ekin = 2.99958691478888 | erot = 3.13593595472591 | epot = -11.7639948420076 | etot = -5.62847197249282 +943000 ekin = 3.08701486089968 | erot = 3.27802584035403 | epot = -11.9935126739376 | etot = -5.62847197268385 +944000 ekin = 3.186586872159 | erot = 3.42629435721361 | epot = -12.2413532032652 | etot = -5.62847197389261 +945000 ekin = 3.29120912172941 | erot = 3.57701253406485 | epot = -12.496693630207 | etot = -5.6284719744127 +946000 ekin = 3.39621217445015 | erot = 3.72637389347036 | epot = -12.7510580429265 | etot = -5.62847197500597 +947000 ekin = 3.49687303138286 | erot = 3.86977321126905 | epot = -12.9951182183484 | etot = -5.62847197569646 +948000 ekin = 3.58827211267957 | erot = 4.00151346858439 | epot = -13.2182575577498 | etot = -5.62847197648584 +949000 ekin = 3.66536645495548 | erot = 4.11475106100546 | epot = -13.4085894932989 | etot = -5.62847197733792 +950000 ekin = 3.72323941993302 | erot = 4.2018019175768 | epot = -13.553513315681 | etot = -5.62847197817117 +951000 ekin = 3.75754185646123 | erot = 4.25489778213983 | epot = -13.6409116174654 | etot = -5.62847197886429 +952000 ekin = 3.76507381614856 | erot = 4.26734583549593 | epot = -13.6608916309242 | etot = -5.62847197927968 +953000 ekin = 3.74438822307989 | erot = 4.23487585385495 | epot = -13.607736056235 | etot = -5.62847197930019 +954000 ekin = 3.69625242862099 | erot = 4.15681815233244 | epot = -13.4815425598219 | etot = -5.6284719788685 +955000 ekin = 3.62380420138425 | erot = 4.03673171571548 | epot = -13.2890078951114 | etot = -5.62847197801164 +956000 ekin = 3.52555336672213 | erot = 3.88073805038935 | epot = -13.0347633967538 | etot = -5.62847197964228 +957000 ekin = 3.39894639005913 | erot = 3.70474137600897 | epot = -12.7321597406528 | etot = -5.6284719745847 +958000 ekin = 3.27782879331305 | erot = 3.53760737148217 | epot = -12.4439081377568 | etot = -5.62847197296156 +959000 ekin = 3.17835028496736 | erot = 3.38602207543512 | epot = -12.192844335218 | etot = -5.62847197481551 +960000 ekin = 3.09019087769108 | erot = 3.23509493447278 | epot = -11.9537577886205 | etot = -5.62847197645667 +961000 ekin = 3.00426259180557 | erot = 3.0824813352864 | epot = -11.7152159026405 | etot = -5.62847197554848 +962000 ekin = 2.92693479803565 | erot = 2.94805480831314 | epot = -11.5034615816837 | etot = -5.62847197533487 +963000 ekin = 2.85972055487714 | erot = 2.83488454510921 | epot = -11.3230770750156 | etot = -5.62847197502922 +964000 ekin = 2.80427359327328 | erot = 2.74583973131526 | epot = -11.178585299439 | etot = -5.62847197485047 +965000 ekin = 2.76170821909769 | erot = 2.68249826129849 | epot = -11.0726784551929 | etot = -5.62847197479672 +966000 ekin = 2.73254763777982 | erot = 2.64503833012218 | epot = -11.0060579427772 | etot = -5.62847197487522 +967000 ekin = 2.71665521991785 | erot = 2.63218922372615 | epot = -10.9773164187349 | etot = -5.62847197509087 +968000 ekin = 2.71315992354632 | erot = 2.64124364192698 | epot = -10.9828755409038 | etot = -5.62847197543047 +969000 ekin = 2.72046614537744 | erot = 2.66825860642096 | epot = -11.017196727654 | etot = -5.6284719758556 +970000 ekin = 2.73639578907595 | erot = 2.70848274121872 | epot = -11.0733505066075 | etot = -5.62847197631278 +971000 ekin = 2.75849383127184 | erot = 2.75695664167746 | epot = -11.1439224496111 | etot = -5.62847197666182 +972000 ekin = 2.78540546269541 | erot = 2.80984083718468 | epot = -11.2237182768147 | etot = -5.62847197693461 +973000 ekin = 2.81581408876755 | erot = 2.86412704719854 | epot = -11.3084131130852 | etot = -5.62847197711915 +974000 ekin = 2.84847995081039 | erot = 2.91762904242811 | epot = -11.3945809704478 | etot = -5.62847197720934 +975000 ekin = 2.88260770758503 | erot = 2.96920774161524 | epot = -11.4802874264075 | etot = -5.62847197720723 +976000 ekin = 2.90702474113454 | erot = 3.01964919041985 | epot = -11.5551459331455 | etot = -5.62847200159107 +977000 ekin = 2.82994037043752 | erot = 3.10467595319514 | epot = -11.5630883014867 | etot = -5.62847197785407 +978000 ekin = 2.82908362067085 | erot = 3.22546638969981 | epot = -11.6830220140927 | etot = -5.62847200372201 +979000 ekin = 2.8370610010888 | erot = 3.25481873071581 | epot = -11.7203517218855 | etot = -5.62847199008084 +980000 ekin = 2.83601345129769 | erot = 3.27042511574271 | epot = -11.7349105571566 | etot = -5.62847199011619 +981000 ekin = 2.82679467506443 | erot = 3.27908746079809 | epot = -11.7343541260202 | etot = -5.6284719901577 +982000 ekin = 2.80889457079111 | erot = 3.2809065834536 | epot = -11.7182731444468 | etot = -5.62847199020213 +983000 ekin = 2.78208898645713 | erot = 3.27578647134014 | epot = -11.6863474480256 | etot = -5.62847199022831 +984000 ekin = 2.74660136884853 | erot = 3.26353952354967 | epot = -11.6386128825996 | etot = -5.62847199020144 +985000 ekin = 2.70333214423332 | erot = 3.24411390942185 | epot = -11.5759180437397 | etot = -5.62847199008455 +986000 ekin = 2.65408912738725 | erot = 3.21786526393144 | epot = -11.5004263811691 | etot = -5.62847198985045 +987000 ekin = 2.57871632303265 | erot = 3.17247279054186 | epot = -11.3796611079074 | etot = -5.62847199433287 +988000 ekin = 2.53018926050092 | erot = 3.15315340264677 | epot = -11.3118146650989 | etot = -5.62847200195117 +989000 ekin = 2.4956627810317 | erot = 3.12952117262699 | epot = -11.253655945603 | etot = -5.62847199194432 +990000 ekin = 2.46227182390165 | erot = 3.09741757651199 | epot = -11.1881613918028 | etot = -5.62847199138918 +991000 ekin = 2.44592299128019 | erot = 3.07158094882325 | epot = -11.1459759312298 | etot = -5.62847199112639 +992000 ekin = 2.45174281446408 | erot = 3.0561104834769 | epot = -11.1363252888672 | etot = -5.62847199092623 +993000 ekin = 2.48099671570252 | erot = 3.05281518051754 | epot = -11.1622838869926 | etot = -5.62847199077251 +994000 ekin = 2.53415670131493 | erot = 3.06359154316083 | epot = -11.2262202351627 | etot = -5.62847199068692 +995000 ekin = 2.6108885321789 | erot = 3.09015398504997 | epot = -11.3295145079077 | etot = -5.62847199067886 +996000 ekin = 2.71011819620561 | erot = 3.1337829867022 | epot = -11.4723731736583 | etot = -5.62847199075047 +997000 ekin = 2.83015603232536 | erot = 3.19515267699556 | epot = -11.6537807002222 | etot = -5.6284719909013 +998000 ekin = 2.9687857160077 | erot = 3.27423191355817 | epot = -11.8714896207065 | etot = -5.62847199114061 +999000 ekin = 3.12322522658256 | erot = 3.37022004732785 | epot = -12.1219172654051 | etot = -5.62847199149472 +1000000 ekin = 3.2899065057238 | erot = 3.48146010729922 | epot = -12.3998386050297 | etot = -5.62847199200664 + 1000000 0.14621807 -0.83009398 0.055104069 -0.56937076 4.8223734e-05 64000 +Loop time of 19.1599 on 4 procs for 1000000 steps with 16 atoms + +Performance: 45094.124 tau/day, 52192.273 timesteps/s +99.5% CPU use with 4 MPI tasks x no OpenMP threads + +MPI task timing breakdown: +Section | min time | avg time | max time |%varavg| %total +--------------------------------------------------------------- +Pair | 4.6477 | 8.0143 | 10.588 | 80.6 | 41.83 +Bond | 0.24825 | 0.37899 | 0.50101 | 14.6 | 1.98 +Neigh | 0.009732 | 0.0098287 | 0.009891 | 0.1 | 0.05 +Comm | 5.7912 | 8.1786 | 11.805 | 81.8 | 42.69 +Output | 0.096764 | 0.1038 | 0.12074 | 3.1 | 0.54 +Modify | 0.77772 | 0.86731 | 0.96892 | 9.2 | 4.53 +Other | | 1.607 | | | 8.39 + +Nlocal: 4.00000 ave 4 max 4 min +Histogram: 4 0 0 0 0 0 0 0 0 0 +Nghost: 12.0000 ave 12 max 12 min +Histogram: 4 0 0 0 0 0 0 0 0 0 +Neighs: 26.5000 ave 47 max 9 min +Histogram: 1 1 0 0 0 0 1 0 0 1 + +Total # of neighbors = 106 +Ave neighs/atom = 6.6250000 +Ave special neighs/atom = 3.7500000 +Neighbor list builds = 1000 +Dangerous builds = 0 + +write_data last_config.${number}.* nocoeff +write_data last_config.2.* nocoeff +System init for write_data ... +#write_restart last_config.${number}.* +Total wall time: 0:00:19 diff --git a/examples/PACKAGES/cgdna/examples/test.sh b/examples/PACKAGES/cgdna/examples/test.sh new file mode 100755 index 0000000000..795be9ef88 --- /dev/null +++ b/examples/PACKAGES/cgdna/examples/test.sh @@ -0,0 +1,232 @@ +#! /bin/bash + +DATE='2Jul21' +LMPDIR=/Users/ohenrich/Work/code/lammps + +SRCDIR=$LMPDIR/src +EXDIR=$LMPDIR/examples/PACKAGES/cgdna/examples + +if [ $# -eq 1 ] && [ $1 = run ]; then + echo '# Compiling executable in' $SRCDIR + + cd $SRCDIR + make clean-all + make -j8 mpi + + ###################################################### + echo '# Running oxDNA duplex1 test' + cd $EXDIR/oxDNA/duplex1 + mkdir test + cd test + cp $SRCDIR/lmp_mpi . + cp ../in.duplex1 . + cp ../data.duplex1 . + + mpirun -np 1 ./lmp_mpi < in.duplex1 > /dev/null + mv log.lammps log.$DATE.duplex1.g++.1 + grep etot log.$DATE.duplex1.g++.1 > e_test.dat + grep etot ../log*1 > e_old.dat + ndiff -relerr 1e-8 e_test.dat e_old.dat + + mpirun -np 4 ./lmp_mpi < in.duplex1 > /dev/null + mv log.lammps log.$DATE.duplex1.g++.4 + grep etot log.$DATE.duplex1.g++.4 > e_test.dat + grep etot ../log*4 > e_old.dat + ndiff -relerr 1e-8 e_test.dat e_old.dat + + ###################################################### + + ###################################################### + echo '# Running oxDNA duplex2 test' + cd $EXDIR/oxDNA/duplex2 + mkdir test + cd test + cp $SRCDIR/lmp_mpi . + cp ../in.duplex2 . + cp ../data.duplex2 . + + mpirun -np 1 ./lmp_mpi < in.duplex2 > /dev/null + mv log.lammps log.$DATE.duplex2.g++.1 + grep etot log.$DATE.duplex2.g++.1 > e_test.dat + grep etot ../log*1 > e_old.dat + ndiff -relerr 1e-8 e_test.dat e_old.dat + + mpirun -np 4 ./lmp_mpi < in.duplex2 > /dev/null + mv log.lammps log.$DATE.duplex2.g++.4 + grep etot log.$DATE.duplex2.g++.4 > e_test.dat + grep etot ../log*4 > e_old.dat + ndiff -relerr 1e-8 e_test.dat e_old.dat + + ###################################################### + + ###################################################### + echo '# Running oxDNA2 duplex1 test' + cd $EXDIR/oxDNA2/duplex1 + mkdir test + cd test + cp $SRCDIR/lmp_mpi . + cp ../in.duplex1 . + cp ../data.duplex1 . + + mpirun -np 1 ./lmp_mpi < in.duplex1 > /dev/null + mv log.lammps log.$DATE.duplex1.g++.1 + grep etot log.$DATE.duplex1.g++.1 > e_test.dat + grep etot ../log*1 > e_old.dat + ndiff -relerr 1e-8 e_test.dat e_old.dat + + mpirun -np 4 ./lmp_mpi < in.duplex1 > /dev/null + mv log.lammps log.$DATE.duplex1.g++.4 + grep etot log.$DATE.duplex1.g++.4 > e_test.dat + grep etot ../log*4 > e_old.dat + ndiff -relerr 1e-8 e_test.dat e_old.dat + + ###################################################### + + ###################################################### + echo '# Running oxDNA2 duplex2 test' + cd $EXDIR/oxDNA2/duplex2 + mkdir test + cd test + cp $SRCDIR/lmp_mpi . + cp ../in.duplex2 . + cp ../data.duplex2 . + + mpirun -np 1 ./lmp_mpi < in.duplex2 > /dev/null + mv log.lammps log.$DATE.duplex2.g++.1 + grep etot log.$DATE.duplex2.g++.1 > e_test.dat + grep etot ../log*1 > e_old.dat + ndiff -relerr 1e-8 e_test.dat e_old.dat + + mpirun -np 4 ./lmp_mpi < in.duplex2 > /dev/null + mv log.lammps log.$DATE.duplex2.g++.4 + grep etot log.$DATE.duplex2.g++.4 > e_test.dat + grep etot ../log*4 > e_old.dat + ndiff -relerr 1e-8 e_test.dat e_old.dat + + ###################################################### + + ###################################################### + echo '# Running oxDNA2 duplex3 test' + cd $EXDIR/oxDNA2/duplex3 + mkdir test + cd test + cp $SRCDIR/lmp_mpi . + cp ../in.duplex3 . + cp ../data.duplex3 . + + mpirun -np 1 ./lmp_mpi < in.duplex3 > /dev/null + mv log.lammps log.$DATE.duplex3.g++.1 + grep etot log.$DATE.duplex3.g++.1 > e_test.dat + grep etot ../log*1 > e_old.dat + ndiff -relerr 1e-8 e_test.dat e_old.dat + + mpirun -np 4 ./lmp_mpi < in.duplex3 > /dev/null + mv log.lammps log.$DATE.duplex3.g++.4 + grep etot log.$DATE.duplex3.g++.4 > e_test.dat + grep etot ../log*4 > e_old.dat + ndiff -relerr 1e-8 e_test.dat e_old.dat + + ###################################################### + + ###################################################### + echo '# Running oxDNA2 unique_bp test' + cd $EXDIR/oxDNA2/unique_bp + mkdir test + cd test + cp $SRCDIR/lmp_mpi . + cp ../in.duplex4.4type . + cp ../in.duplex4.8type . + cp ../data.duplex4.4type . + cp ../data.duplex4.8type . + + mpirun -np 1 ./lmp_mpi < in.duplex4.4type > /dev/null + mv log.lammps log.$DATE.duplex4.4type.g++.1 + grep etot log.$DATE.duplex4.4type.g++.1 > e_test.dat + grep etot ../log*4type*1 > e_old.dat + ndiff -relerr 1e-8 e_test.dat e_old.dat + + mpirun -np 4 ./lmp_mpi < in.duplex4.4type > /dev/null + mv log.lammps log.$DATE.duplex4.4type.g++.4 + grep etot log.$DATE.duplex4.4type.g++.4 > e_test.dat + grep etot ../log*4type*4 > e_old.dat + ndiff -relerr 1e-8 e_test.dat e_old.dat + + mpirun -np 1 ./lmp_mpi < in.duplex4.8type > /dev/null + mv log.lammps log.$DATE.duplex4.8type.g++.1 + grep etot log.$DATE.duplex4.8type.g++.1 > e_test.dat + grep etot ../log*8type*1 > e_old.dat + ndiff -relerr 1e-8 e_test.dat e_old.dat + + mpirun -np 4 ./lmp_mpi < in.duplex4.8type > /dev/null + mv log.lammps log.$DATE.duplex4.8type.g++.4 + grep etot log.$DATE.duplex4.8type.g++.4 > e_test.dat + grep etot ../log*8type*4 > e_old.dat + ndiff -relerr 1e-8 e_test.dat e_old.dat + + ###################################################### + + ###################################################### + echo '# Running oxDNA2 dsring test' + cd $EXDIR/oxDNA2/dsring + mkdir test + cd test + cp $SRCDIR/lmp_mpi . + cp ../in.dsring . + cp ../data.dsring . + + mpirun -np 1 ./lmp_mpi < in.dsring > /dev/null + mv log.lammps log.$DATE.dsring.g++.1 + grep etot log.$DATE.dsring.g++.1 > e_test.dat + grep etot ../log*1 > e_old.dat + ndiff -relerr 1e-8 e_test.dat e_old.dat + + mpirun -np 4 ./lmp_mpi < in.dsring > /dev/null + mv log.lammps log.$DATE.dsring.g++.4 + grep etot log.$DATE.dsring.g++.4 > e_test.dat + grep etot ../log*4 > e_old.dat + ndiff -relerr 1e-8 e_test.dat e_old.dat + + ###################################################### + + ###################################################### + echo '# Running oxRNA2 duplex2 test' + cd $EXDIR/oxRNA2/duplex2 + mkdir test + cd test + cp $SRCDIR/lmp_mpi . + cp ../in.duplex2 . + cp ../data.duplex2 . + + mpirun -np 1 ./lmp_mpi < in.duplex2 > /dev/null + mv log.lammps log.$DATE.duplex2.g++.1 + grep etot log.$DATE.duplex2.g++.1 > e_test.dat + grep etot ../log*1 > e_old.dat + ndiff -relerr 1e-8 e_test.dat e_old.dat + + mpirun -np 4 ./lmp_mpi < in.duplex2 > /dev/null + mv log.lammps log.$DATE.duplex2.g++.4 + grep etot log.$DATE.duplex2.g++.4 > e_test.dat + grep etot ../log*4 > e_old.dat + ndiff -relerr 1e-8 e_test.dat e_old.dat + + ###################################################### + echo '# Done' + +elif [ $# -eq 1 ] && [ $1 = clean ]; then + echo '# Deleting test directories' + rm -rf $EXDIR/oxDNA/duplex1/test + rm -rf $EXDIR/oxDNA/duplex2/test + rm -rf $EXDIR/oxDNA2/duplex1/test + rm -rf $EXDIR/oxDNA2/duplex2/test + rm -rf $EXDIR/oxDNA2/duplex3/test + rm -rf $EXDIR/oxDNA2/unique_bp/test + rm -rf $EXDIR/oxDNA2/dsring/test + rm -rf $EXDIR/oxRNA2/duplex2/test + echo '# Done' + +else + echo '# Usage:' + echo '# ./test.sh run ... to run test suite' + echo '# ./test.sh clean ... to delete test directories' + +fi diff --git a/examples/PACKAGES/quip/gap_example.xml b/examples/PACKAGES/quip/gap_example.xml index baf9e32bb7..b286925e20 100644 --- a/examples/PACKAGES/quip/gap_example.xml +++ b/examples/PACKAGES/quip/gap_example.xml @@ -1,3 +1,4 @@ + diff --git a/examples/PACKAGES/quip/sw_example.xml b/examples/PACKAGES/quip/sw_example.xml index 8a28a7cd7e..14b829ac34 100644 --- a/examples/PACKAGES/quip/sw_example.xml +++ b/examples/PACKAGES/quip/sw_example.xml @@ -1,3 +1,4 @@ + Stillinger and Weber, Phys. Rev. B 31 p 5262 (1984), extended for other elements. Ge and Si-Ge from Ethier and Lewis '92 diff --git a/examples/tracker/contact_history.dat b/examples/tracker/contact_history.dat new file mode 100644 index 0000000000..898aab4ef6 --- /dev/null +++ b/examples/tracker/contact_history.dat @@ -0,0 +1,8122 @@ +16 68 0 0.5 +17 37 0 0.5 +162 210 0 0.5 +174 163 0 0.5 +179 255 0 0.5 +96 161 0 0.505 +111 162 0 0.505 +156 231 0 0.505 +210 150 0 0.505 +226 246 0 0.505 +254 202 0 0.505 +31 82 0 0.51 +95 144 0 0.51 +116 80 0 0.51 +143 255 0 0.51 +153 165 0 0.51 +192 240 0 0.51 +227 247 0 0.51 +12 124 0 0.515 +18 39 0 0.515 +22 102 0 0.515 +34 55 0 0.515 +62 78 0 0.515 +128 188 0 0.515 +146 134 0 0.515 +50 14 0 0.52 +58 74 0 0.52 +69 134 0 0.52 +126 186 0 0.52 +143 242 0 0.52 +167 227 0 0.52 +213 37 0 0.52 +52 8 0 0.525 +69 149 0 0.525 +93 26 0 0.525 +154 144 0 0.525 +156 236 0 0.525 +180 228 0 0.525 +180 197 0 0.525 +256 1 0 0.525 +59 123 0 0.53 +84 160 0 0.53 +105 165 0 0.53 +154 151 0 0.53 +156 213 0 0.53 +158 99 0 0.53 +192 251 0 0.53 +217 21 0 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3.405 4.88 +244 34 3.625 4.88 +17 85 2.995 4.885 +33 34 4.04 4.885 +34 162 3.765 4.885 +60 75 3.335 4.885 +82 98 0 4.885 +88 34 4.29 4.885 +94 99 0 4.885 +109 44 3.955 4.885 +136 179 0.585 4.885 +147 229 2.395 4.885 +168 243 4.37 4.885 +254 13 0 4.885 +4 212 1.175 4.89 +7 153 2.405 4.89 +48 228 2.195 4.89 +58 59 0 4.89 +74 86 2.53 4.89 +101 177 2.325 4.89 +140 217 0 4.89 +146 189 4.1 4.89 +167 171 4.38 4.89 +174 222 0.285 4.89 +191 62 3.695 4.89 +221 61 4.325 4.89 +222 93 4.12 4.89 +57 122 3.01 4.895 +94 97 0 4.895 +165 249 1.915 4.895 +207 13 0 4.895 +227 235 3.395 4.895 +5 76 3.39 4.9 +51 8 2.39 4.9 +92 155 3.15 4.9 +110 162 4.275 4.9 +167 227 1.835 4.9 +188 201 4.115 4.9 +206 196 0 4.9 +244 116 3.72 4.9 +140 206 2.975 4.905 +143 222 4.35 4.905 +222 206 2.605 4.905 +228 47 0 4.905 +229 235 3.88 4.905 +237 184 3.535 4.905 +246 5 0.57 4.905 +13 50 3.81 4.91 +13 56 4.33 4.91 +18 101 4.3 4.91 +21 27 2.605 4.91 +45 93 4.01 4.91 +63 84 2.84 4.91 +69 135 3.205 4.91 +129 13 4.155 4.91 +130 143 1.385 4.91 +130 179 3.88 4.91 +151 179 4.29 4.91 +156 140 0 4.91 +161 175 0 4.91 +194 208 4.365 4.91 +203 93 1.885 4.91 +204 23 3.775 4.91 +236 1 4.17 4.91 +239 42 4.235 4.91 +242 62 3.81 4.91 +46 47 0 4.915 +59 115 3.875 4.915 +98 238 3.16 4.915 +106 99 3.98 4.915 +112 249 4.105 4.915 +116 72 3.665 4.915 +132 151 4.15 4.915 +140 135 0 4.915 +171 205 3.58 4.915 +188 135 0 4.915 +208 16 0 4.915 +215 222 3.91 4.915 +25 153 3.815 4.92 +50 2 0 4.92 +57 201 0.2 4.92 +68 125 4.42 4.92 +140 201 0 4.92 +188 144 0 4.92 +206 45 4.405 4.92 +226 255 1.235 4.92 +227 248 4.38 4.92 +234 251 4.25 4.92 +6 121 4.4 4.925 +119 188 0 4.925 +144 159 2.29 4.925 +146 241 1.65 4.925 +192 67 1.645 4.925 +214 194 3.37 4.925 +217 194 1.425 4.925 +239 61 0 4.925 +239 27 3.74 4.925 +51 118 0 4.93 +69 241 3.635 4.93 +70 76 0 4.93 +88 99 0 4.93 +91 140 0 4.93 +94 161 4.405 4.93 +128 100 1.505 4.93 +194 220 3.73 4.93 +222 45 0 4.93 +253 60 3.27 4.93 +9 23 0 4.935 +14 6 2.565 4.935 +14 11 0 4.935 +43 60 3.405 4.935 +58 54 4.09 4.935 +130 148 1.54 4.935 +164 221 2.92 4.935 +170 127 0 4.935 +187 67 3.735 4.935 +206 212 3.485 4.935 +219 230 2 4.935 +15 93 0 4.94 +22 45 2.505 4.94 +30 99 2.495 4.94 +39 115 3.89 4.94 +67 148 3.19 4.94 +101 166 0 4.94 +103 104 0 4.94 +210 212 0 4.94 +215 23 0 4.94 +219 21 4.39 4.94 +223 2 0 4.94 +225 223 4.27 4.94 +235 29 0 4.94 +29 154 3.385 4.945 +54 166 1.9 4.945 +63 75 2.865 4.945 +69 245 3.995 4.945 +89 124 1.73 4.945 +132 2 4.37 4.945 +152 209 0 4.945 +162 67 4.245 4.945 +173 39 4.375 4.945 +201 14 2.23 4.945 +210 179 3.625 4.945 +232 255 1.52 4.945 +239 235 0 4.945 +29 107 4.33 4.95 +55 107 4.105 4.95 +59 123 0.755 4.95 +60 34 4.445 4.95 +113 162 0 4.95 +143 148 1.645 4.95 +150 249 3.065 4.95 +159 4 3.37 4.95 +211 219 4.385 4.95 +110 177 4.31 4.955 +119 186 4.445 4.955 +121 52 4.37 4.955 +126 91 2.36 4.955 +128 180 4.445 4.955 +163 248 4.365 4.955 +208 28 4.01 4.955 +219 154 4.44 4.955 +8 92 4.285 4.96 +46 125 2.485 4.96 +56 34 0 4.96 +67 144 3.715 4.96 +68 99 3.95 4.96 +98 241 2.59 4.96 +107 117 4.02 4.96 +115 137 2.06 4.96 +171 48 4.19 4.96 +208 90 3.91 4.96 +239 125 2.56 4.96 +243 246 0 4.96 +24 255 4.2 4.965 +40 112 3.32 4.965 +82 104 3 4.965 +96 187 3.665 4.965 +108 184 3.36 4.965 +128 170 0 4.965 +149 132 0.915 4.965 +164 241 4.225 4.965 +199 59 0.76 4.965 +217 200 4.075 4.965 +40 249 4.04 4.97 +140 204 0 4.97 +164 240 3.57 4.97 +171 252 2.74 4.97 +215 171 4.43 4.97 +232 35 4.04 4.97 +234 247 0 4.97 +237 26 4.425 4.97 +254 256 0 4.97 +25 70 0 4.975 +56 209 4.355 4.975 +83 132 1.02 4.975 +129 255 1.71 4.975 +132 152 0 4.975 +132 216 4.25 4.975 +140 179 3.14 4.975 +174 180 2.195 4.975 +205 1 3.865 4.975 +216 33 4.425 4.975 +226 205 3.99 4.975 +244 120 3.64 4.975 +62 1 4.08 4.98 +128 96 4.35 4.98 +143 147 2.82 4.98 +187 184 2.48 4.98 +199 25 2.225 4.98 +21 55 3.735 4.985 +59 119 0.655 4.985 +71 151 1.04 4.985 +123 135 3.86 4.985 +147 211 0 4.985 +163 227 4.325 4.985 +204 45 4.395 4.985 +209 22 4.435 4.985 +212 81 1.115 4.985 +213 195 4.455 4.985 +215 221 3.62 4.985 +7 121 1.435 4.99 +10 124 3.72 4.99 +31 27 0 4.99 +78 96 4.14 4.99 +87 146 4.045 4.99 +101 115 3.9 4.99 +174 176 0 4.99 +183 139 0 4.99 +192 252 4.145 4.99 +194 70 3.91 4.99 +209 194 3.675 4.99 +209 70 4.435 4.99 +210 220 4.37 4.99 +239 253 0 4.99 +23 208 4.21 4.995 +30 255 3.88 4.995 +31 28 2.215 4.995 +42 39 2.19 4.995 +65 134 4.395 4.995 +104 238 3.9 4.995 +138 188 3.86 4.995 +174 188 0.71 4.995 +203 16 4.45 4.995 +65 70 4.49 5 +80 161 4.445 5 +75 117 4.385 5 +190 162 3.75 5 +202 224 0 5 +164 180 0 5 +234 58 2.415 5 +196 51 4.145 5 +9 221 3.92 5 +221 45 0 5 diff --git a/examples/tracker/in.track b/examples/tracker/in.track new file mode 100644 index 0000000000..01da9933be --- /dev/null +++ b/examples/tracker/in.track @@ -0,0 +1,34 @@ +# 3d Lennard-Jones melt with tracking + +units lj +atom_style atomic + +lattice fcc 0.8442 +region box block 0 4 0 4 0 4 +create_box 2 box +create_atoms 2 box +mass 1 1.0 +mass 2 1.0 +velocity all create 2.0 87287 loop geom + +pair_style hybrid/overlay lj/cut 2.5 tracker +pair_coeff * * lj/cut 1.0 1.0 2.5 +pair_coeff * * tracker 2.5 + +neighbor 0.3 bin +neigh_modify every 20 delay 0 check no + +fix 1 all nve +fix 2 all pair/tracker 1000 id1 id2 time/created time/broken time/total time/min 0.5 +fix 3 all ave/histo 1000 1 1000 0 6 30 f_2[5] mode vector kind local file lifetime_hist.dat + +dump 1 all local 1000 contact_history.dat f_2[1] f_2[2] f_2[3] f_2[4] +dump_modify 1 header no + +# compute 1 all property/local patom1 patom2 +# dump 2 all local 1 pairs.dat c_1[1] c_1[2] + +# dump 3 all atom 1 atoms.dat + +thermo 50 +run 1000 #0 diff --git a/examples/tracker/lifetime_hist.dat b/examples/tracker/lifetime_hist.dat new file mode 100644 index 0000000000..002e269896 --- /dev/null +++ b/examples/tracker/lifetime_hist.dat @@ -0,0 +1,65 @@ +# Histogrammed data for fix 3 +# TimeStep Number-of-bins Total-counts Missing-counts Min-value Max-value +# Bin Coord Count Count/Total +0 30 0 0 1e+20 -1e+20 +1 0.1 0 0 +2 0.3 0 0 +3 0.5 0 0 +4 0.7 0 0 +5 0.9 0 0 +6 1.1 0 0 +7 1.3 0 0 +8 1.5 0 0 +9 1.7 0 0 +10 1.9 0 0 +11 2.1 0 0 +12 2.3 0 0 +13 2.5 0 0 +14 2.7 0 0 +15 2.9 0 0 +16 3.1 0 0 +17 3.3 0 0 +18 3.5 0 0 +19 3.7 0 0 +20 3.9 0 0 +21 4.1 0 0 +22 4.3 0 0 +23 4.5 0 0 +24 4.7 0 0 +25 4.9 0 0 +26 5.1 0 0 +27 5.3 0 0 +28 5.5 0 0 +29 5.7 0 0 +30 5.9 0 0 +1000 30 8122 0 0.5 5 +1 0.1 0 0 +2 0.3 0 0 +3 0.5 910 0.112041 +4 0.7 1253 0.154272 +5 0.9 953 0.117336 +6 1.1 747 0.0919724 +7 1.3 559 0.0688254 +8 1.5 501 0.0616843 +9 1.7 421 0.0518345 +10 1.9 356 0.0438316 +11 2.1 300 0.0369367 +12 2.3 281 0.0345974 +13 2.5 242 0.0297956 +14 2.7 226 0.0278257 +15 2.9 175 0.0215464 +16 3.1 168 0.0206846 +17 3.3 162 0.0199458 +18 3.5 129 0.0158828 +19 3.7 151 0.0185915 +20 3.9 137 0.0168678 +21 4.1 98 0.012066 +22 4.3 104 0.0128047 +23 4.5 83 0.0102192 +24 4.7 77 0.00948042 +25 4.9 86 0.0105885 +26 5.1 3 0.000369367 +27 5.3 0 0 +28 5.5 0 0 +29 5.7 0 0 +30 5.9 0 0 diff --git a/examples/tracker/log.8Apr21.tracker.g++.1 b/examples/tracker/log.8Apr21.tracker.g++.1 new file mode 100644 index 0000000000..e654558061 --- /dev/null +++ b/examples/tracker/log.8Apr21.tracker.g++.1 @@ -0,0 +1,107 @@ +LAMMPS (8 Apr 2021) +# 3d Lennard-Jones melt with tracking + +units lj +atom_style atomic + +lattice fcc 0.8442 +Lattice spacing in x,y,z = 1.6795962 1.6795962 1.6795962 +region box block 0 4 0 4 0 4 +create_box 2 box +Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (6.7183848 6.7183848 6.7183848) + 1 by 1 by 1 MPI processor grid +create_atoms 2 box +Created 256 atoms + create_atoms CPU = 0.001 seconds +mass 1 1.0 +mass 2 1.0 +velocity all create 2.0 87287 loop geom + +pair_style hybrid/overlay lj/cut 2.5 tracker +pair_coeff * * lj/cut 1.0 1.0 2.5 +pair_coeff * * tracker 2.5 + +neighbor 0.3 bin +neigh_modify every 20 delay 0 check no + +fix 1 all nve +fix 2 all pair/tracker 1000 id1 id2 time/created time/broken time/total time/min 0.5 +fix 3 all ave/histo 1000 1 1000 0 6 30 f_2[5] mode vector kind local file lifetime_hist.dat + +dump 1 all local 1000 contact_history.dat f_2[1] f_2[2] f_2[3] f_2[4] +dump_modify 1 header no + +# compute 1 all property/local patom1 patom2 +# dump 2 all local 1 pairs.dat c_1[1] c_1[2] + +# dump 3 all atom 1 atoms.dat + +thermo 50 +run 1000 #0 +Neighbor list info ... + update every 20 steps, delay 0 steps, check no + max neighbors/atom: 2000, page size: 100000 + master list distance cutoff = 2.8 + ghost atom cutoff = 2.8 + binsize = 1.4, bins = 5 5 5 + 2 neighbor lists, perpetual/occasional/extra = 2 0 0 + (1) pair lj/cut, perpetual + attributes: half, newton on + pair build: half/bin/atomonly/newton + stencil: half/bin/3d + bin: standard + (2) pair tracker, perpetual + attributes: half, newton on, history + pair build: half/bin/atomonly/newton + stencil: half/bin/3d + bin: standard +Per MPI rank memory allocation (min/avg/max) = 10.46 | 10.46 | 10.46 Mbytes +Step Temp E_pair E_mol TotEng Press + 0 2 -6.7733681 0 -3.7850868 -4.5535126 + 50 1.0540428 -5.3670859 0 -3.7921977 2.3386375 + 100 1.0402713 -5.3493439 0 -3.7950323 2.4553748 + 150 1.0570745 -5.3738961 0 -3.7944781 2.3767396 + 200 1.0431846 -5.3518647 0 -3.7932002 2.5010135 + 250 1.070121 -5.3902744 0 -3.791363 2.4908658 + 300 1.0667723 -5.3866302 0 -3.7927224 2.3589344 + 350 1.000601 -5.2859643 0 -3.7909257 2.9065274 + 400 0.99256113 -5.2738812 0 -3.7908553 2.8595867 + 450 1.0482542 -5.357452 0 -3.7912128 2.4707397 + 500 1.0196176 -5.3123538 0 -3.7889017 2.7230338 + 550 0.98274535 -5.2586303 0 -3.7902706 2.9156947 + 600 1.0683914 -5.3863229 0 -3.789996 2.3002719 + 650 1.0130779 -5.303917 0 -3.7902362 2.8726423 + 700 1.0583333 -5.3737358 0 -3.792437 2.5770307 + 750 0.98274506 -5.2612464 0 -3.792887 2.9447027 + 800 1.0294191 -5.332001 0 -3.7939042 2.5293193 + 850 0.99240027 -5.2735754 0 -3.7907899 2.7672711 + 900 1.0293488 -5.3306241 0 -3.7926323 2.6054041 + 950 0.97137182 -5.2424403 0 -3.7910742 3.129989 + 1000 1.0009431 -5.2864286 0 -3.7908788 2.7536598 +Loop time of 0.310363 on 1 procs for 1000 steps with 256 atoms + +Performance: 1391918.252 tau/day, 3222.033 timesteps/s +100.7% CPU use with 1 MPI tasks x no OpenMP threads + +MPI task timing breakdown: +Section | min time | avg time | max time |%varavg| %total +--------------------------------------------------------------- +Pair | 0.22132 | 0.22132 | 0.22132 | 0.0 | 71.31 +Neigh | 0.03458 | 0.03458 | 0.03458 | 0.0 | 11.14 +Comm | 0.0087938 | 0.0087938 | 0.0087938 | 0.0 | 2.83 +Output | 0.014075 | 0.014075 | 0.014075 | 0.0 | 4.54 +Modify | 0.02818 | 0.02818 | 0.02818 | 0.0 | 9.08 +Other | | 0.003411 | | | 1.10 + +Nlocal: 256.000 ave 256 max 256 min +Histogram: 1 0 0 0 0 0 0 0 0 0 +Nghost: 1327.00 ave 1327 max 1327 min +Histogram: 1 0 0 0 0 0 0 0 0 0 +Neighs: 9612.00 ave 9612 max 9612 min +Histogram: 1 0 0 0 0 0 0 0 0 0 + +Total # of neighbors = 9612 +Ave neighs/atom = 37.546875 +Neighbor list builds = 50 +Dangerous builds not checked +Total wall time: 0:00:00 diff --git a/potentials/SiGeH.sw.quip b/potentials/SiGeH.sw.quip new file mode 100644 index 0000000000..d6cd5c7688 --- /dev/null +++ b/potentials/SiGeH.sw.quip @@ -0,0 +1,47 @@ + + + UNITS: metal DATE: 2015-02-24 CITATION: Stillinger and Weber, Phys. Rev. B 31 p 5262 (1984), extended for other elements. Ge and Si-Ge from Ethier and Lewis '92 + + + + + + + + + + + + + + + + + + + + + + + + + + + + diff --git a/python/lammps/pylammps.py b/python/lammps/pylammps.py index f9bdd1720a..a89791a02e 100644 --- a/python/lammps/pylammps.py +++ b/python/lammps/pylammps.py @@ -240,7 +240,8 @@ class Atom2D(Atom): @property def position(self): - """ + """Access to coordinates of an atom + :getter: Return position of atom :setter: Set position of atom :type: tuple (float, float) @@ -255,7 +256,7 @@ class Atom2D(Atom): @property def velocity(self): - """ + """Access to velocity of an atom :getter: Return velocity of atom :setter: Set velocity of atom :type: tuple (float, float) @@ -270,8 +271,7 @@ class Atom2D(Atom): @property def force(self): - """ - Return the total force acting on the atom + """Access to force of an atom :type: tuple (float, float) """ diff --git a/src/.gitignore b/src/.gitignore index 8220614851..42e1548c43 100644 --- a/src/.gitignore +++ b/src/.gitignore @@ -722,6 +722,8 @@ /fix_orient_eco.h /fix_orient_fcc.cpp /fix_orient_fcc.h +/fix_pair_tracker.cpp +/fix_pair_tracker.h /fix_peri_neigh.cpp /fix_peri_neigh.h /fix_phonon.cpp @@ -1171,6 +1173,8 @@ /pair_tip4p_long.h /pair_tip4p_long_soft.cpp /pair_tip4p_long_soft.h +/pair_tracker.h +/pair_tracker.cpp /pair_tri_lj.cpp /pair_tri_lj.h /pair_yukawa_colloid.cpp diff --git a/src/CG-DNA/atom_vec_oxdna.cpp b/src/CG-DNA/atom_vec_oxdna.cpp index 65787a0d98..7ce2189a64 100644 --- a/src/CG-DNA/atom_vec_oxdna.cpp +++ b/src/CG-DNA/atom_vec_oxdna.cpp @@ -15,6 +15,8 @@ #include "atom.h" #include "comm.h" +#include "error.h" +#include "force.h" using namespace LAMMPS_NS; @@ -46,6 +48,8 @@ AtomVecOxdna::AtomVecOxdna(LAMMPS *lmp) : AtomVec(lmp) fields_data_vel = (char *) "id v"; setup_fields(); + + if(!force->newton_bond) error->warning(FLERR,"Write_data command requires newton on to preserve 3'->5' bond polarity"); } /* ---------------------------------------------------------------------- */ diff --git a/src/CG-DNA/pair_oxdna2_excv.h b/src/CG-DNA/pair_oxdna2_excv.h index bc016534f0..0fc51406ad 100644 --- a/src/CG-DNA/pair_oxdna2_excv.h +++ b/src/CG-DNA/pair_oxdna2_excv.h @@ -28,7 +28,6 @@ class PairOxdna2Excv : public PairOxdnaExcv { public: PairOxdna2Excv(class LAMMPS *lmp) : PairOxdnaExcv(lmp) {} virtual ~PairOxdna2Excv() {} - virtual void compute_interaction_sites(double *, double *, double *, double *, double *); }; diff --git a/src/CG-DNA/pair_oxrna2_dh.h b/src/CG-DNA/pair_oxrna2_dh.h index 016eb5378b..3008b4cc8c 100644 --- a/src/CG-DNA/pair_oxrna2_dh.h +++ b/src/CG-DNA/pair_oxrna2_dh.h @@ -26,7 +26,7 @@ namespace LAMMPS_NS { class PairOxrna2Dh : public PairOxdna2Dh { public: - PairOxrna2Dh(class LAMMPS *) : PairOxdna2Dh(lmp) {} + PairOxrna2Dh(class LAMMPS *lmp) : PairOxdna2Dh(lmp) {} virtual ~PairOxrna2Dh() {} virtual void compute_interaction_sites(double *, double *, double *, double *); }; diff --git a/src/CG-DNA/pair_oxrna2_excv.h b/src/CG-DNA/pair_oxrna2_excv.h index 8e671f0b7a..4f404ef103 100644 --- a/src/CG-DNA/pair_oxrna2_excv.h +++ b/src/CG-DNA/pair_oxrna2_excv.h @@ -26,7 +26,7 @@ namespace LAMMPS_NS { class PairOxrna2Excv : public PairOxdnaExcv { public: - PairOxrna2Excv(class LAMMPS *) : PairOxdnaExcv(lmp) {} + PairOxrna2Excv(class LAMMPS *lmp) : PairOxdnaExcv(lmp) {} virtual ~PairOxrna2Excv() {} virtual void compute_interaction_sites(double *, double *, double *, double *, double *); }; diff --git a/src/FEP/pair_morse_soft.cpp b/src/FEP/pair_morse_soft.cpp index 2e228ef2ca..db7c4eca6c 100644 --- a/src/FEP/pair_morse_soft.cpp +++ b/src/FEP/pair_morse_soft.cpp @@ -1,4 +1,3 @@ -// clang-format off /* ---------------------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator https://www.lammps.org/, Sandia National Laboratories @@ -14,8 +13,6 @@ #include "pair_morse_soft.h" -#include -#include #include "atom.h" #include "comm.h" #include "force.h" @@ -24,6 +21,8 @@ #include "math_special.h" #include "error.h" +#include +#include using namespace LAMMPS_NS; using namespace MathSpecial; @@ -165,7 +164,6 @@ void PairMorseSoft::allocate() PairMorse::allocate(); int n = atom->ntypes; memory->create(lambda,n+1,n+1,"pair:lambda"); - } /* ---------------------------------------------------------------------- @@ -344,6 +342,7 @@ void PairMorseSoft::write_restart_settings(FILE *fp) fwrite(&shift_range,sizeof(double),1,fp); fwrite(&cut_global,sizeof(double),1,fp); fwrite(&offset_flag,sizeof(int),1,fp); + fwrite(&mix_flag,sizeof(int),1,fp); } /* ---------------------------------------------------------------------- @@ -358,11 +357,13 @@ void PairMorseSoft::read_restart_settings(FILE *fp) utils::sfread(FLERR,&shift_range,sizeof(double),1,fp,nullptr,error); utils::sfread(FLERR,&cut_global,sizeof(double),1,fp,nullptr,error); utils::sfread(FLERR,&offset_flag,sizeof(int),1,fp,nullptr,error); + utils::sfread(FLERR,&mix_flag,sizeof(int),1,fp,nullptr,error); } MPI_Bcast(&nlambda,1,MPI_DOUBLE,0,world); MPI_Bcast(&shift_range,1,MPI_DOUBLE,0,world); MPI_Bcast(&cut_global,1,MPI_DOUBLE,0,world); MPI_Bcast(&offset_flag,1,MPI_INT,0,world); + MPI_Bcast(&mix_flag,1,MPI_INT,0,world); } @@ -385,8 +386,8 @@ void PairMorseSoft::write_data_all(FILE *fp) { for (int i = 1; i <= atom->ntypes; i++) for (int j = i; j <= atom->ntypes; j++) - fprintf(fp,"%d %g %g %g %g\n",i,d0[i][j],alpha[i][j],r0[i][j], - lambda[i][j]); + fprintf(fp,"%d %d %g %g %g %g %g\n",i,j,d0[i][j],alpha[i][j],r0[i][j], + lambda[i][j],cut[i][j]); } /* ---------------------------------------------------------------------- */ diff --git a/src/FEP/pair_morse_soft.h b/src/FEP/pair_morse_soft.h index e15658bfc0..f6ec254a44 100644 --- a/src/FEP/pair_morse_soft.h +++ b/src/FEP/pair_morse_soft.h @@ -29,7 +29,8 @@ namespace LAMMPS_NS { class PairMorseSoft : public PairMorse { public: - PairMorseSoft(class LAMMPS *lmp) : PairMorse(lmp), lambda(nullptr){}; + PairMorseSoft(class LAMMPS *lmp) : + PairMorse(lmp), lambda(nullptr), nlambda(0), shift_range(1.0){}; virtual ~PairMorseSoft(); virtual void compute(int, int); @@ -41,10 +42,10 @@ class PairMorseSoft : public PairMorse { virtual void write_restart_settings(FILE *); virtual void read_restart_settings(FILE *); - void write_data(FILE *); - void write_data_all(FILE *); + virtual void write_data(FILE *); + virtual void write_data_all(FILE *); virtual double single(int, int, int, int, double, double, double, double &); - void *extract(const char *, int &); + virtual void *extract(const char *, int &); protected: double **lambda; @@ -52,7 +53,7 @@ class PairMorseSoft : public PairMorse { int nlambda; double shift_range; - void allocate(); + virtual void allocate(); }; } // namespace LAMMPS_NS diff --git a/src/GRANULAR/compute_fabric.cpp b/src/GRANULAR/compute_fabric.cpp index 61d3b632a5..a09327e2d5 100644 --- a/src/GRANULAR/compute_fabric.cpp +++ b/src/GRANULAR/compute_fabric.cpp @@ -194,7 +194,7 @@ void ComputeFabric::compute_vector() int i, j, ii, jj, inum, jnum, itype, jtype; tagint itag, jtag; double xtmp, ytmp, ztmp, delx, dely, delz; - double r, rinv, rsq, radsum, eng, fpair; + double r, rinv, rsq, radsum, fpair; double nx, ny, nz; double ncinv, denom, fn, ft, prefactor; @@ -374,7 +374,7 @@ void ComputeFabric::compute_vector() if (rsq >= radsum * radsum) continue; } - if (fn_flag || ft_flag) eng = pair->single(i, j, itype, jtype, rsq, 1.0, 1.0, fpair); + if (fn_flag || ft_flag) pair->single(i, j, itype, jtype, rsq, 1.0, 1.0, fpair); r = sqrt(rsq); rinv = 1.0 / r; diff --git a/src/INTEL/intel_intrinsics.h b/src/INTEL/intel_intrinsics.h index a17cc2859a..7cb20b391c 100644 --- a/src/INTEL/intel_intrinsics.h +++ b/src/INTEL/intel_intrinsics.h @@ -85,7 +85,11 @@ struct vector_ops {}; // Intrinsic routines for IMCI and AVX-512 #if defined(__MIC__) || defined(__AVX512F__) // Integer vector class +#ifdef __INTEL_LLVM_COMPILER +#pragma pack(push,16) +#else #pragma pack(push,64) +#endif struct ivec32x16 { __m512i vec; ivec32x16() {} @@ -113,7 +117,7 @@ struct vector_ops { typedef double fscal; typedef F64vec8 fvec; typedef ivec32x16 ivec; - typedef __mmask bvec; + typedef __mmask16 bvec; typedef double farr[8] __attribute__((aligned(64))); typedef int iarr[16] __attribute__((aligned(64))); static fvec recip(const fvec &a) { return _mm512_recip_pd(a); } @@ -250,7 +254,7 @@ struct vector_ops { typedef float fscal; typedef F32vec16 fvec; typedef ivec32x16 ivec; - typedef __mmask bvec; + typedef __mmask16 bvec; typedef float farr[16] __attribute__((aligned(64))); typedef int iarr[16] __attribute__((aligned(64))); static const bvec full_mask = 0xFFFF; @@ -380,16 +384,18 @@ struct vector_ops { *r3 = gather<4>(*r3, mask, idxs, reinterpret_cast(base) + 12); } // Additional routines needed for the implementation of mixed precision - static fvec cvtdown(const vector_ops::fvec &lo, const vector_ops::fvec &hi) { + static fvec cvtdown(const vector_ops::fvec &lo, + const vector_ops::fvec &hi) { __m512 t1 = _mm512_cvtpd_pslo(lo); __m512 t2 = _mm512_cvtpd_pslo(hi); - return _mm512_mask_permute4f128_ps(t1, 0xFF00, t2, _MM_PERM_BADC); + return _mm512_mask_shuffle_f32x4(_mm512_undefined_ps(), 0xFF00, t2, t2, + 0x4E); } static vector_ops::fvec cvtup_lo(const fvec &a) { return _mm512_cvtpslo_pd(a); } static vector_ops::fvec cvtup_hi(const fvec &a) { - return _mm512_cvtpslo_pd(_mm512_permute4f128_ps(a, _MM_PERM_BADC)); // permute DCBA -> BADC + return _mm512_cvtpslo_pd(_mm512_shuffle_f32x4(a, a, 0x4E)); } static void mask_cvtup(const bvec &a, vector_ops::bvec *blo, vector_ops::bvec *bhi) { *blo = a & 0xFF; @@ -1692,7 +1698,7 @@ struct vector_ops { typedef flt_t fscal; typedef flt_t fvec; typedef int ivec; - typedef bool bvec; + typedef int bvec; typedef flt_t farr[1]; typedef int iarr[1]; static fvec recip(const fvec &a) { diff --git a/src/INTEL/intel_intrinsics_airebo.h b/src/INTEL/intel_intrinsics_airebo.h index f49abbaf3d..ac58ca2438 100644 --- a/src/INTEL/intel_intrinsics_airebo.h +++ b/src/INTEL/intel_intrinsics_airebo.h @@ -651,12 +651,12 @@ class avec16pd { return a >> 8; } VEC_INLINE static __m512i get_ivec_hi(__m512i a) { - return _mm512_permute4f128_epi32(a, _MM_PERM_BADC); + return _mm512_shuffle_i32x4(a, a, 0x4E); } public: VEC_INLINE avec16pd(const FVEC_NAME &a) { lo_ = _mm512_cvtpslo_pd(a.val_); - hi_ = _mm512_cvtpslo_pd(_mm512_permute4f128_ps(a.val_, _MM_PERM_BADC)); + hi_ = _mm512_cvtpslo_pd(_mm512_shuffle_f32x4(a.val_, a.val_, 0x4E)); } VEC_INLINE static avec16pd undefined() { return avec16pd(_mm512_undefined_pd(), _mm512_undefined_pd()); diff --git a/src/INTEL/intel_preprocess.h b/src/INTEL/intel_preprocess.h index 6f9b37a700..0bec9935db 100644 --- a/src/INTEL/intel_preprocess.h +++ b/src/INTEL/intel_preprocess.h @@ -16,6 +16,11 @@ Contributing author: W. Michael Brown (Intel) ------------------------------------------------------------------------- */ +#ifdef __INTEL_LLVM_COMPILER +#define __INTEL_COMPILER __INTEL_LLVM_COMPILER +#define __INTEL_COMPILER_BUILD_DATE __INTEL_LLVM_COMPILER +#endif + #ifdef __INTEL_COMPILER #define LMP_SIMD_COMPILER #if (__INTEL_COMPILER_BUILD_DATE > 20160720) diff --git a/src/INTEL/pair_airebo_intel.cpp b/src/INTEL/pair_airebo_intel.cpp index 94874153aa..5ea0d3168b 100644 --- a/src/INTEL/pair_airebo_intel.cpp +++ b/src/INTEL/pair_airebo_intel.cpp @@ -2332,7 +2332,7 @@ static void aut_rebo_neigh(KernelArgsAIREBOT * ka) { int n_skin = 0; int lowest_idx; - #pragma unroll(4) + //#pragma unroll(4) for (lowest_idx = 0; lowest_idx < jnum; lowest_idx += fvec::VL) { bvec j_mask = bvec::full(); if (lowest_idx + fvec::VL > jnum) j_mask = bvec::only(jnum - lowest_idx); diff --git a/src/INTEL/pair_dpd_intel.cpp b/src/INTEL/pair_dpd_intel.cpp index 089396afa3..e7514a1f95 100644 --- a/src/INTEL/pair_dpd_intel.cpp +++ b/src/INTEL/pair_dpd_intel.cpp @@ -289,7 +289,7 @@ void PairDPDIntel::eval(const int offload, const int vflag, } #if defined(LMP_SIMD_COMPILER) - #pragma vector aligned nog2s + #pragma vector aligned #pragma simd reduction(+:fxtmp, fytmp, fztmp, fwtmp, sevdwl, \ sv0, sv1, sv2, sv3, sv4, sv5) #endif diff --git a/src/INTEL/pair_eam_intel.cpp b/src/INTEL/pair_eam_intel.cpp index a86040b6b3..dcff8957fd 100644 --- a/src/INTEL/pair_eam_intel.cpp +++ b/src/INTEL/pair_eam_intel.cpp @@ -308,7 +308,7 @@ void PairEAMIntel::eval(const int offload, const int vflag, acc_t rhoi = (acc_t)0.0; int ej = 0; #if defined(LMP_SIMD_COMPILER) - #pragma vector aligned nog2s + #pragma vector aligned #pragma ivdep #endif for (int jj = 0; jj < jnum; jj++) { @@ -327,7 +327,7 @@ void PairEAMIntel::eval(const int offload, const int vflag, } #if defined(LMP_SIMD_COMPILER) - #pragma vector aligned nog2s + #pragma vector aligned #pragma simd reduction(+:rhoi) #endif for (int jj = 0; jj < ej; jj++) { @@ -414,7 +414,7 @@ void PairEAMIntel::eval(const int offload, const int vflag, if (EFLAG) tevdwl = (acc_t)0.0; #if defined(LMP_SIMD_COMPILER) - #pragma vector aligned nog2s + #pragma vector aligned #pragma simd reduction(+:tevdwl) #endif for (int ii = iifrom; ii < iito; ++ii) { @@ -488,7 +488,7 @@ void PairEAMIntel::eval(const int offload, const int vflag, int ej = 0; #if defined(LMP_SIMD_COMPILER) - #pragma vector aligned nog2s + #pragma vector aligned #pragma ivdep #endif for (int jj = 0; jj < jnum; jj++) { @@ -510,7 +510,7 @@ void PairEAMIntel::eval(const int offload, const int vflag, } #if defined(LMP_SIMD_COMPILER) - #pragma vector aligned nog2s + #pragma vector aligned #pragma simd reduction(+:fxtmp, fytmp, fztmp, fwtmp, sevdwl, \ sv0, sv1, sv2, sv3, sv4, sv5) #endif diff --git a/src/INTEL/pair_lj_cut_intel.cpp b/src/INTEL/pair_lj_cut_intel.cpp index eb60e0442f..84bc664e18 100644 --- a/src/INTEL/pair_lj_cut_intel.cpp +++ b/src/INTEL/pair_lj_cut_intel.cpp @@ -241,7 +241,7 @@ void PairLJCutIntel::eval(const int offload, const int vflag, if (vflag == VIRIAL_PAIR) sv0 = sv1 = sv2 = sv3 = sv4 = sv5 = (acc_t)0; #if defined(LMP_SIMD_COMPILER) - #pragma vector aligned nog2s + #pragma vector aligned #pragma simd reduction(+:fxtmp, fytmp, fztmp, fwtmp, sevdwl, \ sv0, sv1, sv2, sv3, sv4, sv5) #endif diff --git a/src/INTEL/pair_tersoff_intel.cpp b/src/INTEL/pair_tersoff_intel.cpp index 248c3420e6..d4b8f7d499 100644 --- a/src/INTEL/pair_tersoff_intel.cpp +++ b/src/INTEL/pair_tersoff_intel.cpp @@ -349,11 +349,11 @@ void PairTersoffIntel::eval(const int offload, const int vflag, lmp_intel::vector_traits::support_integer_and_gather_ops; bool use_scalar = VL < 4; if (use_scalar) { - IntelKernelTersoff::kernel(ARGS); + IntelKernelTersoff::template kernel(ARGS); } else if (pack_i) { - IntelKernelTersoff::kernel(ARGS); + IntelKernelTersoff::template kernel(ARGS); } else { - IntelKernelTersoff::kernel(ARGS); + IntelKernelTersoff::template kernel(ARGS); } if (EFLAG) oevdwl += sevdwl; } @@ -673,7 +673,8 @@ void IntelKernelTersoff::kernel_step( fvec vrijsq = vdx_ij * vdx_ij + vdy_ij * vdy_ij + vdz_ij * vdz_ij; fvec vrij = sqrt(vrijsq); ivec vis_orig = v::int_load_vl(is); - ivec vnumneigh_i = v::int_gather<4>(v_i0, vmask, vis_orig, numneigh); + ivec vnumneigh_i = v::template int_gather<4>(v_i0, vmask, vis_orig, + numneigh); ivec vc_idx_ij = v::int_mullo(v_i4floats, vw_j + v::int_mullo(v_i_ntypes, vw_i)); fvec vzeta = v::zero(); @@ -700,14 +701,16 @@ void IntelKernelTersoff::kernel_step( while (! v::mask_testz(vactive_mask) && cache_idx < N_CACHE) { bvec vnew_mask = vactive_mask & ~ veff_old_mask; vks = v::int_mullo(v_i4floats, v_i_NEIGHMASK & - v::int_gather<4>(vks, vactive_mask, vkks + vcnumneigh_i, firstneigh)); + (v::template int_gather<4>(vks, vactive_mask, + vkks + vcnumneigh_i, + firstneigh))); v::gather_x(vks, vnew_mask, x, &vx_k, &vy_k, &vz_k, &vw_k); fvec vdx_ik = (vx_k - vx_i); fvec vdy_ik = (vy_k - vy_i); fvec vdz_ik = (vz_k - vz_i); fvec vrsq = vdx_ik * vdx_ik + vdy_ik * vdy_ik + vdz_ik * vdz_ik; ivec vc_idx = v::int_mullo(v_i4floats, vw_k) + v::int_mullo(v_i_ntypes, vc_idx_ij); - vcutsq = v::gather<4>(vcutsq, vnew_mask, vc_idx, c_inner); + vcutsq = v::template gather<4>(vcutsq, vnew_mask, vc_idx, c_inner); bvec vcutoff_mask = v::cmplt(vrsq, vcutsq); bvec vsame_mask = v::int_cmpneq(vjs, vks); bvec veff_mask = vcutoff_mask & vsame_mask & vactive_mask; @@ -751,14 +754,16 @@ void IntelKernelTersoff::kernel_step( while (! v::mask_testz(vactive_mask)) { bvec vnew_mask = vactive_mask & ~ veff_old_mask; vks = v::int_mullo(v_i4floats, v_i_NEIGHMASK & - v::int_gather<4>(vks, vactive_mask, vkks + vcnumneigh_i, firstneigh)); + (v::template int_gather<4>(vks, vactive_mask, + vkks + vcnumneigh_i, + firstneigh))); v::gather_x(vks, vnew_mask, x, &vx_k, &vy_k, &vz_k, &vw_k); fvec vdx_ik = (vx_k - vx_i); fvec vdy_ik = (vy_k - vy_i); fvec vdz_ik = (vz_k - vz_i); fvec vrsq = vdx_ik * vdx_ik + vdy_ik * vdy_ik + vdz_ik * vdz_ik; ivec vc_idx = v::int_mullo(v_i4floats, vw_k) + v::int_mullo(v_i_ntypes, vc_idx_ij); - vcutsq = v::gather<4>(vcutsq, vnew_mask, vc_idx, c_inner); + vcutsq = v::template gather<4>(vcutsq, vnew_mask, vc_idx, c_inner); bvec vcutoff_mask = v::cmplt(vrsq, vcutsq); bvec vsame_mask = v::int_cmpneq(vjs, vks); bvec veff_mask = vcutoff_mask & vsame_mask & vactive_mask; @@ -818,14 +823,16 @@ void IntelKernelTersoff::kernel_step( while (! v::mask_testz(vactive_mask)) { bvec vnew_mask = vactive_mask & ~ veff_old_mask; vks = v::int_mullo(v_i4floats, v_i_NEIGHMASK & - v::int_gather<4>(vks, vactive_mask, vkks + vcnumneigh_i, firstneigh)); + (v::template int_gather<4>(vks, vactive_mask, + vkks + vcnumneigh_i, + firstneigh))); v::gather_x(vks, vnew_mask, x, &vx_k, &vy_k, &vz_k, &vw_k); fvec vdx_ik = vx_k - vx_i; fvec vdy_ik = vy_k - vy_i; fvec vdz_ik = vz_k - vz_i; fvec vrsq = vdx_ik * vdx_ik + vdy_ik * vdy_ik + vdz_ik * vdz_ik; ivec vc_idx = v::int_mullo(v_i4floats, vw_k) + v::int_mullo(v_i_ntypes, vc_idx_ij); - vcutsq = v::gather<4>(vcutsq, vnew_mask, vc_idx, c_inner); + vcutsq = v::template gather<4>(vcutsq, vnew_mask, vc_idx, c_inner); bvec vcutoff_mask = v::cmplt(vrsq, vcutsq); bvec vsame_mask = v::int_cmpneq(vjs, vks); bvec veff_mask = vcutoff_mask & vsame_mask & vactive_mask; @@ -973,7 +980,7 @@ void IntelKernelTersoff::kernel_step_const_i( fvec vdy_ik = vy_k - vy_i; fvec vdz_ik = vz_k - vz_i; fvec vrsq = vdx_ik * vdx_ik + vdy_ik * vdy_ik + vdz_ik * vdz_ik; - fvec vcutsq = v::gather<4>(v::zero(), vmask, vc_idx_j_ntypes, &c_inner[ntypes * ntypes * w_i + w_k]); + fvec vcutsq = v::template gather<4>(v::zero(), vmask, vc_idx_j_ntypes, &c_inner[ntypes * ntypes * w_i + w_k]); bvec vcutoff_mask = v::cmplt(vrsq, vcutsq); bvec vsame_mask = v::int_cmpneq(vjs, ivec(static_cast(4 * sizeof(typename v::fscal) * k))); bvec veff_mask = vcutoff_mask & vsame_mask & vmask; @@ -1017,7 +1024,7 @@ void IntelKernelTersoff::kernel_step_const_i( fvec vdy_ik = vy_k - vy_i; fvec vdz_ik = vz_k - vz_i; fvec vrsq = vdx_ik * vdx_ik + vdy_ik * vdy_ik + vdz_ik * vdz_ik; - fvec vcutsq = v::gather<4>(v::zero(), vmask, vc_idx_j_ntypes, &c_inner[ntypes * ntypes * w_i + w_k]); + fvec vcutsq = v::template gather<4>(v::zero(), vmask, vc_idx_j_ntypes, &c_inner[ntypes * ntypes * w_i + w_k]); bvec vcutoff_mask = v::cmplt(vrsq, vcutsq); bvec vsame_mask = v::int_cmpneq(vjs, ivec(static_cast(4 * sizeof(typename v::fscal) * k))); bvec veff_mask = vcutoff_mask & vsame_mask & vmask; @@ -1064,7 +1071,7 @@ void IntelKernelTersoff::kernel_step_const_i( fvec vdy_ik = vy_k - vy_i; fvec vdz_ik = vz_k - vz_i; fvec vrsq = vdx_ik * vdx_ik + vdy_ik * vdy_ik + vdz_ik * vdz_ik; - fvec vcutsq = v::gather<4>(v::zero(), vmask, vc_idx_j_ntypes, &c_inner[ntypes * ntypes * w_i + w_k].cutsq); + fvec vcutsq = v::template gather<4>(v::zero(), vmask, vc_idx_j_ntypes, &c_inner[ntypes * ntypes * w_i + w_k].cutsq); bvec vcutoff_mask = v::cmplt(vrsq, vcutsq); bvec vsame_mask = v::int_cmpneq(vjs, ivec(static_cast(4 * sizeof(typename v::fscal) * k))); bvec veff_mask = vcutoff_mask & vsame_mask & vmask; @@ -1210,7 +1217,7 @@ void IntelKernelTersoff::kernel( template -IntelKernelTersoff::fvec IntelKernelTersoff::zeta_vector( +typename IntelKernelTersoff::fvec IntelKernelTersoff::zeta_vector( const c_inner_t * param, ivec xjw, bvec mask, fvec vrij, fvec rsq2, @@ -1336,6 +1343,8 @@ void IntelKernelTersoff::force_zeta_vector( } } +#define BCF lmp_intel::vector_routines + template template void IntelKernelTersoff::attractive_vector( @@ -1375,7 +1384,7 @@ void IntelKernelTersoff::attractive_vector( fvec varg3 = varg1 * varg1 * varg1; bvec mask_ex = v::cmpeq(vppowermint, fvec(3.)); fvec varg = v::blend(mask_ex, varg1, varg3); - fvec vex_delr = min(fvec(1.e30), exp(varg)); + fvec vex_delr = BCF::min(fvec(1.e30), exp(varg)); fvec vex_delr_d_factor = v::blend(mask_ex, v_1_0, fvec(3.0) * varg1 * varg1); fvec vex_delr_d = vplam3 * vex_delr_d_factor * vex_delr; bvec vmask_need_sine = v::cmpnle(vrik, vpbigr - vpbigd) & mask; @@ -1395,12 +1404,12 @@ void IntelKernelTersoff::attractive_vector( if (ZETA) *zeta = vfc * vgijk * vex_delr; fvec vminus_costheta = - vcostheta; - fvec vdcosdrjx = vrijinv * fmadd(vminus_costheta, vrij_hatx, rik_hatx); - fvec vdcosdrjy = vrijinv * fmadd(vminus_costheta, vrij_haty, rik_haty); - fvec vdcosdrjz = vrijinv * fmadd(vminus_costheta, vrij_hatz, rik_hatz); - fvec vdcosdrkx = rikinv * fmadd(vminus_costheta, rik_hatx, vrij_hatx); - fvec vdcosdrky = rikinv * fmadd(vminus_costheta, rik_haty, vrij_haty); - fvec vdcosdrkz = rikinv * fmadd(vminus_costheta, rik_hatz, vrij_hatz); + fvec vdcosdrjx = vrijinv * BCF::fmadd(vminus_costheta, vrij_hatx, rik_hatx); + fvec vdcosdrjy = vrijinv * BCF::fmadd(vminus_costheta, vrij_haty, rik_haty); + fvec vdcosdrjz = vrijinv * BCF::fmadd(vminus_costheta, vrij_hatz, rik_hatz); + fvec vdcosdrkx = rikinv * BCF::fmadd(vminus_costheta, rik_hatx, vrij_hatx); + fvec vdcosdrky = rikinv * BCF::fmadd(vminus_costheta, rik_haty, vrij_haty); + fvec vdcosdrkz = rikinv * BCF::fmadd(vminus_costheta, rik_hatz, vrij_hatz); fvec vdcosdrix = -(vdcosdrjx + vdcosdrkx); fvec vdcosdriy = -(vdcosdrjy + vdcosdrky); fvec vdcosdriz = -(vdcosdrjz + vdcosdrkz); diff --git a/src/INTEL/pair_tersoff_intel.h b/src/INTEL/pair_tersoff_intel.h index 0a40844622..b40ce19787 100644 --- a/src/INTEL/pair_tersoff_intel.h +++ b/src/INTEL/pair_tersoff_intel.h @@ -24,12 +24,12 @@ PairStyle(tersoff/intel,PairTersoffIntel); #ifndef LMP_PAIR_TERSOFF_INTEL_H #define LMP_PAIR_TERSOFF_INTEL_H -#ifdef __INTEL_COMPILER - #include "pair.h" #include "fix_intel.h" #include "pair_tersoff.h" +#ifdef __INTEL_COMPILER + namespace LAMMPS_NS { class PairTersoffIntel : public PairTersoff { diff --git a/src/MISC/fix_pair_tracker.cpp b/src/MISC/fix_pair_tracker.cpp new file mode 100644 index 0000000000..7939485aff --- /dev/null +++ b/src/MISC/fix_pair_tracker.cpp @@ -0,0 +1,369 @@ +/* ---------------------------------------------------------------------- + LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator + https://www.lammps.org/ Sandia National Laboratories + Steve Plimpton, sjplimp@sandia.gov + + Copyright (2003) Sandia Corporation. Under the terms of Contract + DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains + certain rights in this software. This software is distributed under + the GNU General Public License. + + See the README file in the top-level LAMMPS directory. +------------------------------------------------------------------------- */ + +#include "fix_pair_tracker.h" +#include "atom.h" +#include "atom_vec.h" +#include "error.h" +#include "group.h" +#include "memory.h" +#include "modify.h" +#include "tokenizer.h" +#include "update.h" + +#include + +using namespace LAMMPS_NS; +using namespace FixConst; + +#define DELTA 1000 + +/* ---------------------------------------------------------------------- */ + +FixPairTracker::FixPairTracker(LAMMPS *lmp, int narg, char **arg) : + Fix(lmp, narg, arg), nvalues(0), vector(NULL), array(NULL), pack_choice(NULL) +{ + if (narg < 3) error->all(FLERR, "Illegal fix pair/tracker command"); + local_flag = 1; + + nevery = utils::inumeric(FLERR, arg[3], false, lmp); + if (nevery <= 0) error->all(FLERR, "Illegal fix pair/tracker command"); + local_freq = nevery; + + // If optional arguments included, this will be oversized + nvalues = narg - 4; + pack_choice = new FnPtrPack[nvalues]; + + tmin = -1; + type_filter = nullptr; + int iarg = 4; + nvalues = 0; + while (iarg < narg) { + if (strcmp(arg[iarg], "id1") == 0) { + pack_choice[nvalues++] = &FixPairTracker::pack_id1; + } else if (strcmp(arg[iarg], "id2") == 0) { + pack_choice[nvalues++] = &FixPairTracker::pack_id2; + + } else if (strcmp(arg[iarg], "time/created") == 0) { + pack_choice[nvalues++] = &FixPairTracker::pack_time_created; + } else if (strcmp(arg[iarg], "time/broken") == 0) { + pack_choice[nvalues++] = &FixPairTracker::pack_time_broken; + } else if (strcmp(arg[iarg], "time/total") == 0) { + pack_choice[nvalues++] = &FixPairTracker::pack_time_total; + + } else if (strcmp(arg[iarg], "x") == 0) { + pack_choice[nvalues++] = &FixPairTracker::pack_x; + } else if (strcmp(arg[iarg], "y") == 0) { + pack_choice[nvalues++] = &FixPairTracker::pack_y; + } else if (strcmp(arg[iarg], "z") == 0) { + pack_choice[nvalues++] = &FixPairTracker::pack_z; + + } else if (strcmp(arg[iarg], "r/min") == 0) { + pack_choice[nvalues++] = &FixPairTracker::pack_rmin; + } else if (strcmp(arg[iarg], "r/ave") == 0) { + pack_choice[nvalues++] = &FixPairTracker::pack_rave; + + } else if (strcmp(arg[iarg], "time/min") == 0) { + if (iarg + 1 >= narg) error->all(FLERR, "Invalid keyword in fix pair/tracker command"); + tmin = utils::numeric(FLERR, arg[iarg + 1], false, lmp); + iarg++; + + } else if (strcmp(arg[iarg], "type/include") == 0) { + if (iarg + 1 >= narg) error->all(FLERR, "Invalid keyword in fix pair/tracker command"); + int ntypes = atom->ntypes; + + int i, j, itype, jtype, in, jn, infield, jnfield; + int inlo, inhi, jnlo, jnhi; + char *istr, *jstr; + if (!type_filter) { + memory->create(type_filter, ntypes + 1, ntypes + 1, "fix/pair/tracker:type_filter"); + + for (i = 0; i <= ntypes; i++) { + for (j = 0; j <= ntypes; j++) { type_filter[i][j] = 0; } + } + } + + in = strlen(arg[iarg + 1]) + 1; + istr = new char[in]; + strcpy(istr, arg[iarg + 1]); + std::vector iwords = Tokenizer(istr, ",").as_vector(); + infield = iwords.size(); + + jn = strlen(arg[iarg + 2]) + 1; + jstr = new char[jn]; + strcpy(jstr, arg[iarg + 2]); + std::vector jwords = Tokenizer(jstr, ",").as_vector(); + jnfield = jwords.size(); + + for (i = 0; i < infield; i++) { + const char *ifield = iwords[i].c_str(); + utils::bounds(FLERR, ifield, 1, ntypes, inlo, inhi, error); + + for (j = 0; j < jnfield; j++) { + const char *jfield = jwords[j].c_str(); + utils::bounds(FLERR, jfield, 1, ntypes, jnlo, jnhi, error); + + for (itype = inlo; itype <= inhi; itype++) { + for (jtype = jnlo; jtype <= jnhi; jtype++) { + type_filter[itype][jtype] = 1; + type_filter[jtype][itype] = 1; + } + } + } + } + + delete[] istr; + delete[] jstr; + + iarg += 2; + + } else + error->all(FLERR, "Invalid keyword in fix pair/tracker command"); + + iarg++; + } + + if (nvalues == 1) + size_local_cols = 0; + else + size_local_cols = nvalues; + + nmax = 0; + ncount = 0; + vector = NULL; + array = NULL; +} + +/* ---------------------------------------------------------------------- */ + +FixPairTracker::~FixPairTracker() +{ + delete[] pack_choice; + + memory->destroy(vector); + memory->destroy(array); + memory->destroy(type_filter); +} + +/* ---------------------------------------------------------------------- */ + +int FixPairTracker::setmask() +{ + int mask = 0; + mask |= POST_FORCE; + return mask; +} + +/* ---------------------------------------------------------------------- */ + +void FixPairTracker::init() +{ + // Set size of array/vector + ncount = 0; + + if (ncount > nmax) reallocate(ncount); + + size_local_rows = ncount; +} + +/* ---------------------------------------------------------------------- */ + +void FixPairTracker::lost_contact(int i, int j, double time_tmp, double nstep_tmp, double rsum_tmp, + double rmin_tmp) +{ + + double time = update->atime + (update->ntimestep - update->atimestep) * update->dt; + if ((time - time_tmp) < tmin) return; + + if (type_filter) { + int *type = atom->type; + if (type_filter[type[i]][type[j]] == 0) return; + } + + int *mask = atom->mask; + if (!(mask[i] & groupbit)) return; + if (!(mask[j] & groupbit)) return; + + if (ncount == nmax) reallocate(ncount); + + index_i = i; + index_j = j; + + rmin = rmin_tmp; + rsum = rsum_tmp; + time_initial = time_tmp; + nstep_initial = nstep_tmp; + + // fill vector or array with local values + if (nvalues == 1) { + (this->*pack_choice[0])(0); + } else { + for (int k = 0; k < nvalues; k++) { (this->*pack_choice[k])(k); } + } + + ncount += 1; +} + +/* ---------------------------------------------------------------------- */ + +void FixPairTracker::post_force(int /*vflag*/) +{ + if (update->ntimestep % nevery == 0) { + size_local_rows = ncount; + ncount = 0; + } +} + +/* ---------------------------------------------------------------------- */ + +void FixPairTracker::reallocate(int n) +{ + // grow vector or array + while (nmax <= n) nmax += DELTA; + + if (nvalues == 1) { + memory->grow(vector, nmax, "fix_pair_tracker:vector"); + vector_local = vector; + } else { + memory->grow(array, nmax, nvalues, "fix_pair_tracker:array"); + array_local = array; + } +} + +/* ---------------------------------------------------------------------- + memory usage of local data +------------------------------------------------------------------------- */ + +double FixPairTracker::memory_usage() +{ + double bytes = nmax * nvalues * sizeof(double); + bytes += nmax * 2 * sizeof(int); + return bytes; +} + +/* ---------------------------------------------------------------------- + one method for every keyword fix pair/tracker can output + the atom property is packed into a local vector or array +------------------------------------------------------------------------- */ + +/* ---------------------------------------------------------------------- */ + +void FixPairTracker::pack_time_created(int n) +{ + if (nvalues == 1) + vector[ncount] = time_initial; + else + array[ncount][n] = time_initial; +} + +/* ---------------------------------------------------------------------- */ + +void FixPairTracker::pack_time_broken(int n) +{ + double time = update->atime + (update->ntimestep - update->atimestep) * update->dt; + if (nvalues == 1) + vector[ncount] = time; + else + array[ncount][n] = time; +} + +/* ---------------------------------------------------------------------- */ + +void FixPairTracker::pack_time_total(int n) +{ + double time = update->atime + (update->ntimestep - update->atimestep) * update->dt; + if (nvalues == 1) + vector[ncount] = time - time_initial; + else + array[ncount][n] = time - time_initial; +} + +/* ---------------------------------------------------------------------- */ + +void FixPairTracker::pack_id1(int n) +{ + tagint *tag = atom->tag; + + if (nvalues == 1) + vector[ncount] = tag[index_i]; + else + array[ncount][n] = tag[index_i]; +} + +/* ---------------------------------------------------------------------- */ + +void FixPairTracker::pack_id2(int n) +{ + tagint *tag = atom->tag; + + if (nvalues == 1) + vector[ncount] = tag[index_j]; + else + array[ncount][n] = tag[index_j]; +} + +/* ---------------------------------------------------------------------- */ + +void FixPairTracker::pack_x(int n) +{ + double **x = atom->x; + + if (nvalues == 1) + vector[ncount] = (x[index_i][0] + x[index_j][0]) / 2; + else + array[ncount][n] = (x[index_i][0] + x[index_j][0]) / 2; +} + +/* ---------------------------------------------------------------------- */ + +void FixPairTracker::pack_y(int n) +{ + double **x = atom->x; + + if (nvalues == 1) + vector[ncount] = (x[index_i][1] + x[index_j][1]) / 2; + else + array[ncount][n] = (x[index_i][1] + x[index_j][1]) / 2; +} + +/* ---------------------------------------------------------------------- */ + +void FixPairTracker::pack_z(int n) +{ + double **x = atom->x; + + if (nvalues == 1) + vector[ncount] = (x[index_i][2] + x[index_j][2]) / 2; + else + array[ncount][n] = (x[index_i][2] + x[index_j][2]) / 2; +} + +/* ---------------------------------------------------------------------- */ + +void FixPairTracker::pack_rmin(int n) +{ + if (nvalues == 1) + vector[ncount] = rmin; + else + array[ncount][n] = rmin; +} + +/* ---------------------------------------------------------------------- */ + +void FixPairTracker::pack_rave(int n) +{ + if (nvalues == 1) + vector[ncount] = rsum / (update->ntimestep - nstep_initial); + else + array[ncount][n] = rsum / (update->ntimestep - nstep_initial); +} diff --git a/src/MISC/fix_pair_tracker.h b/src/MISC/fix_pair_tracker.h new file mode 100644 index 0000000000..7c2e3ff322 --- /dev/null +++ b/src/MISC/fix_pair_tracker.h @@ -0,0 +1,85 @@ +/* ---------------------------------------------------------------------- + LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator + https://www.lammps.org/ Sandia National Laboratories + Steve Plimpton, sjplimp@sandia.gov + + Copyright (2003) Sandia Corporation. Under the terms of Contract + DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains + certain rights in this software. This software is distributed under + the GNU General Public License. + + See the README file in the top-level LAMMPS directory. +------------------------------------------------------------------------- */ + +#ifdef FIX_CLASS +// clang-format off +FixStyle(pair/tracker,FixPairTracker); +// clang-format on +#else + +#ifndef LMP_FIX_PAIR_TRACKING_H +#define LMP_FIX_PAIR_TRACKING_H + +#include "fix.h" + +namespace LAMMPS_NS { + +class FixPairTracker : public Fix { + public: + FixPairTracker(class LAMMPS *, int, char **); + ~FixPairTracker(); + int setmask(); + void init(); + void post_force(int); + double memory_usage(); + void lost_contact(int, int, double, double, double, double); + + private: + int nvalues, nmax; + int index_i, index_j; + double tmin, rmin, rsum, time_initial, nstep_initial; + + double *vector; + double **array; + int **type_filter; + + int ncount; + + void reallocate(int); + + typedef void (FixPairTracker::*FnPtrPack)(int); + FnPtrPack *pack_choice; // ptrs to pack functions + + void pack_id1(int); + void pack_id2(int); + + void pack_time_created(int); + void pack_time_broken(int); + void pack_time_total(int); + + void pack_x(int); + void pack_y(int); + void pack_z(int); + + void pack_rmin(int); + void pack_rave(int); +}; + +} // namespace LAMMPS_NS + +#endif +#endif + +/* ERROR/WARNING messages: + +E: Illegal ... command + +Self-explanatory. Check the input script syntax and compare to the +documentation for the command. You can use -echo screen as a +command-line option when running LAMMPS to see the offending line. + +E: Invalid keyword in fix pair/tracker command + +Self-explanatory. + +*/ diff --git a/src/MISC/pair_tracker.cpp b/src/MISC/pair_tracker.cpp new file mode 100644 index 0000000000..2069561ee9 --- /dev/null +++ b/src/MISC/pair_tracker.cpp @@ -0,0 +1,478 @@ +/* ---------------------------------------------------------------------- + LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator + https://www.lammps.org/, Sandia National Laboratories + Steve Plimpton, sjplimp@sandia.gov + + Copyright (2003) Sandia Corporation. Under the terms of Contract + DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains + certain rights in this software. This software is distributed under + the GNU General Public License. + + See the README file in the top-level LAMMPS directory. +------------------------------------------------------------------------- */ + +#include "pair_tracker.h" + +#include "atom.h" +#include "comm.h" +#include "error.h" +#include "fix.h" +#include "fix_dummy.h" +#include "fix_neigh_history.h" +#include "fix_pair_tracker.h" +#include "force.h" +#include "memory.h" +#include "modify.h" +#include "neigh_list.h" +#include "neigh_request.h" +#include "neighbor.h" +#include "update.h" + +using namespace LAMMPS_NS; + +/* ---------------------------------------------------------------------- */ + +PairTracker::PairTracker(LAMMPS *lmp) : Pair(lmp) +{ + single_enable = 1; + no_virial_fdotr_compute = 1; + + neighprev = 0; + history = 1; + size_history = 4; + nondefault_history_transfer = 1; + + finitecutflag = 0; + + // create dummy fix as placeholder for FixNeighHistory + // this is so final order of Modify:fix will conform to input script + + fix_history = nullptr; + modify->add_fix("NEIGH_HISTORY_TRACK_DUMMY all DUMMY"); + fix_dummy = (FixDummy *) modify->fix[modify->nfix - 1]; +} + +/* ---------------------------------------------------------------------- */ + +PairTracker::~PairTracker() +{ + if (!fix_history) + modify->delete_fix("NEIGH_HISTORY_TRACK_DUMMY"); + else + modify->delete_fix("NEIGH_HISTORY_TRACK"); + + if (allocated) { + memory->destroy(setflag); + memory->destroy(cutsq); + memory->destroy(cut); + + delete[] onerad_dynamic; + delete[] onerad_frozen; + delete[] maxrad_dynamic; + delete[] maxrad_frozen; + } +} + +/* ---------------------------------------------------------------------- */ + +void PairTracker::compute(int eflag, int vflag) +{ + int i, j, ii, jj, inum, jnum, itype, jtype; + double xtmp, ytmp, ztmp, delx, dely, delz, time; + double radi, radj, radsum, rsq, r; + int *ilist, *jlist, *numneigh, **firstneigh; + int *touch, **firsttouch; + double *data, *alldata, **firstdata; + + int updateflag = 1; + if (update->setupflag) updateflag = 0; + ev_init(eflag, vflag); + + double **x = atom->x; + double *radius = atom->radius; + int *type = atom->type; + + inum = list->inum; + ilist = list->ilist; + numneigh = list->numneigh; + firstneigh = list->firstneigh; + firsttouch = fix_history->firstflag; + firstdata = fix_history->firstvalue; + + // loop over neighbors of my atoms + for (ii = 0; ii < inum; ii++) { + i = ilist[ii]; + xtmp = x[i][0]; + ytmp = x[i][1]; + ztmp = x[i][2]; + if (finitecutflag) radi = radius[i]; + itype = type[i]; + touch = firsttouch[i]; + alldata = firstdata[i]; + jlist = firstneigh[i]; + jnum = numneigh[i]; + + for (jj = 0; jj < jnum; jj++) { + j = jlist[jj]; + j &= NEIGHMASK; + + delx = xtmp - x[j][0]; + dely = ytmp - x[j][1]; + delz = ztmp - x[j][2]; + rsq = delx * delx + dely * dely + delz * delz; + r = sqrt(rsq); + + if (finitecutflag) { + radj = radius[j]; + radsum = radi + radj; + + if (rsq >= radsum * radsum) { + + data = &alldata[size_history * jj]; + if (touch[jj] == 1) { + fix_pair_tracker->lost_contact(i, j, data[0], data[1], data[2], data[3]); + } + touch[jj] = 0; + data[0] = 0.0; // initial time + data[1] = 0.0; // initial timestep + data[2] = 0.0; // sum of r, may overflow + data[3] = 0.0; // min of r + + } else { + + data = &alldata[size_history * jj]; + if (touch[jj] == 0) { + time = update->atime + (update->ntimestep - update->atimestep) * update->dt; + data[0] = time; + data[1] = (double) update->ntimestep; + data[2] = r; + data[3] = r; + } else if (updateflag) { + data[2] += r; + if (data[3] > r) data[3] = r; + } + touch[jj] = 1; + } + } else { + jtype = type[j]; + if (rsq >= cutsq[itype][jtype]) { + + data = &alldata[size_history * jj]; + if (touch[jj] == 1) { + fix_pair_tracker->lost_contact(i, j, data[0], data[1], data[2], data[3]); + } + + touch[jj] = 0; + data[0] = 0.0; // initial time + data[1] = 0.0; // initial timestep + data[2] = 0.0; // sum of r, may overflow + data[3] = 0.0; // min of r + + } else { + + data = &alldata[size_history * jj]; + if (touch[jj] == 0) { + time = update->atime + (update->ntimestep - update->atimestep) * update->dt; + data[0] = time; + data[1] = (double) update->ntimestep; + data[2] = r; + data[3] = r; + } else if (updateflag) { + data[2] += r; + if (data[3] > r) data[3] = r; + } + touch[jj] = 1; + } + } + } + } +} + +/* ---------------------------------------------------------------------- + allocate all arrays +------------------------------------------------------------------------- */ + +void PairTracker::allocate() +{ + allocated = 1; + int n = atom->ntypes; + + memory->create(setflag, n + 1, n + 1, "pair:setflag"); + for (int i = 1; i <= n; i++) + for (int j = i; j <= n; j++) setflag[i][j] = 0; + + memory->create(cutsq, n + 1, n + 1, "pair:cutsq"); + memory->create(cut, n + 1, n + 1, "pair:cut"); + + onerad_dynamic = new double[n + 1]; + onerad_frozen = new double[n + 1]; + maxrad_dynamic = new double[n + 1]; + maxrad_frozen = new double[n + 1]; +} + +/* ---------------------------------------------------------------------- + global settings +------------------------------------------------------------------------- */ + +void PairTracker::settings(int narg, char **arg) +{ + if (narg != 0 && narg != 1) error->all(FLERR, "Illegal pair_style command"); + + if (narg == 1) { + if (strcmp(arg[0], "finite") == 0) + finitecutflag = 1; + else + error->all(FLERR, "Illegal pair_style command"); + } +} + +/* ---------------------------------------------------------------------- + set coeffs for one or more type pairs +------------------------------------------------------------------------- */ + +void PairTracker::coeff(int narg, char **arg) +{ + if (narg > 2 && finitecutflag) error->all(FLERR, "Incorrect args for pair coefficients"); + if (narg != 3 && !finitecutflag) error->all(FLERR, "Incorrect args for pair coefficients"); + if (!allocated) allocate(); + + int ilo, ihi, jlo, jhi; + utils::bounds(FLERR, arg[0], 1, atom->ntypes, ilo, ihi, error); + utils::bounds(FLERR, arg[1], 1, atom->ntypes, jlo, jhi, error); + + double cut_one = 0.0; + if (!finitecutflag) cut_one = utils::numeric(FLERR, arg[2], false, lmp); + + int count = 0; + for (int i = ilo; i <= ihi; i++) { + for (int j = MAX(jlo, i); j <= jhi; j++) { + setflag[i][j] = 1; + cut[i][j] = cut_one; + count++; + } + } + + if (count == 0) error->all(FLERR, "Incorrect args for pair coefficients"); +} + +/* ---------------------------------------------------------------------- + init specific to this pair style +------------------------------------------------------------------------- */ + +void PairTracker::init_style() +{ + int i; + + // error and warning checks + + if (!atom->radius_flag && finitecutflag) + error->all(FLERR, "Pair tracker requires atom attribute radius for finite cutoffs"); + + // need a history neigh list + + int irequest = neighbor->request(this, instance_me); + if (finitecutflag) { + neighbor->requests[irequest]->size = 1; + neighbor->requests[irequest]->history = 1; + // history flag won't affect results, but match granular pairstyles + // so neighborlist can be copied to reduce overhead + } + + // if history is stored and first init, create Fix to store history + // it replaces FixDummy, created in the constructor + // this is so its order in the fix list is preserved + + if (fix_history == nullptr) { + char dnumstr[16]; + sprintf(dnumstr, "%d", size_history); + char **fixarg = new char *[4]; + fixarg[0] = (char *) "NEIGH_HISTORY_TRACK"; + fixarg[1] = (char *) "all"; + fixarg[2] = (char *) "NEIGH_HISTORY"; + fixarg[3] = dnumstr; + modify->replace_fix("NEIGH_HISTORY_TRACK_DUMMY", 4, fixarg, 1); + delete[] fixarg; + int ifix = modify->find_fix("NEIGH_HISTORY_TRACK"); + fix_history = (FixNeighHistory *) modify->fix[ifix]; + fix_history->pair = this; + fix_history->use_bit_flag = 0; + } + + if (finitecutflag) { + + if (force->pair->beyond_contact) + error->all(FLERR, + "Pair tracker incompatible with granular pairstyles that extend beyond contact"); + // check for FixPour and FixDeposit so can extract particle radii + + int ipour; + for (ipour = 0; ipour < modify->nfix; ipour++) + if (strcmp(modify->fix[ipour]->style, "pour") == 0) break; + if (ipour == modify->nfix) ipour = -1; + + int idep; + for (idep = 0; idep < modify->nfix; idep++) + if (strcmp(modify->fix[idep]->style, "deposit") == 0) break; + if (idep == modify->nfix) idep = -1; + + // set maxrad_dynamic and maxrad_frozen for each type + // include future FixPour and FixDeposit particles as dynamic + + int itype; + for (i = 1; i <= atom->ntypes; i++) { + onerad_dynamic[i] = onerad_frozen[i] = 0.0; + if (ipour >= 0) { + itype = i; + onerad_dynamic[i] = *((double *) modify->fix[ipour]->extract("radius", itype)); + } + if (idep >= 0) { + itype = i; + onerad_dynamic[i] = *((double *) modify->fix[idep]->extract("radius", itype)); + } + } + + double *radius = atom->radius; + int *mask = atom->mask; + int *type = atom->type; + int nlocal = atom->nlocal; + + for (i = 0; i < nlocal; i++) + if (mask[i] & freeze_group_bit) + onerad_frozen[type[i]] = MAX(onerad_frozen[type[i]], radius[i]); + else + onerad_dynamic[type[i]] = MAX(onerad_dynamic[type[i]], radius[i]); + + MPI_Allreduce(&onerad_dynamic[1], &maxrad_dynamic[1], atom->ntypes, MPI_DOUBLE, MPI_MAX, world); + MPI_Allreduce(&onerad_frozen[1], &maxrad_frozen[1], atom->ntypes, MPI_DOUBLE, MPI_MAX, world); + } + + int ifix = modify->find_fix("NEIGH_HISTORY_TRACK"); + if (ifix < 0) error->all(FLERR, "Could not find pair fix neigh history ID"); + fix_history = (FixNeighHistory *) modify->fix[ifix]; + + ifix = modify->find_fix_by_style("pair/tracker"); + if (ifix < 0) error->all(FLERR, "Cannot use pair tracker without fix pair/tracker"); + fix_pair_tracker = (FixPairTracker *) modify->fix[ifix]; +} + +/* ---------------------------------------------------------------------- + init for one type pair i,j and corresponding j,i +------------------------------------------------------------------------- */ + +double PairTracker::init_one(int i, int j) +{ + if (!allocated) allocate(); + + // always mix prefactors geometrically + + if (setflag[i][j] == 0) { cut[i][j] = mix_distance(cut[i][i], cut[j][j]); } + + cut[j][i] = cut[i][j]; + + // if finite, cutoff = sum of max I,J radii for + // dynamic/dynamic & dynamic/frozen interactions, but not frozen/frozen + double cutoff; + if (finitecutflag) { + cutoff = maxrad_dynamic[i] + maxrad_dynamic[j]; + cutoff = MAX(cutoff, maxrad_frozen[i] + maxrad_dynamic[j]); + cutoff = MAX(cutoff, maxrad_dynamic[i] + maxrad_frozen[j]); + } else { + cutoff = cut[i][j]; + } + return cutoff; +} + +/* ---------------------------------------------------------------------- + proc 0 writes to restart file +------------------------------------------------------------------------- */ + +void PairTracker::write_restart(FILE *fp) +{ + write_restart_settings(fp); + + int i, j; + for (i = 1; i <= atom->ntypes; i++) + for (j = i; j <= atom->ntypes; j++) { + fwrite(&setflag[i][j], sizeof(int), 1, fp); + if (setflag[i][j]) { fwrite(&cut[i][j], sizeof(double), 1, fp); } + } +} + +/* ---------------------------------------------------------------------- + proc 0 reads from restart file, bcasts +------------------------------------------------------------------------- */ + +void PairTracker::read_restart(FILE *fp) +{ + read_restart_settings(fp); + allocate(); + + int i, j; + int me = comm->me; + for (i = 1; i <= atom->ntypes; i++) + for (j = i; j <= atom->ntypes; j++) { + if (me == 0) utils::sfread(FLERR, &setflag[i][j], sizeof(int), 1, fp, nullptr, error); + MPI_Bcast(&setflag[i][j], 1, MPI_INT, 0, world); + if (setflag[i][j]) { + if (me == 0) { utils::sfread(FLERR, &cut[i][j], sizeof(double), 1, fp, nullptr, error); } + MPI_Bcast(&cut[i][j], 1, MPI_DOUBLE, 0, world); + } + } +} + +/* ---------------------------------------------------------------------- + proc 0 writes to restart file +------------------------------------------------------------------------- */ + +void PairTracker::write_restart_settings(FILE *fp) +{ + fwrite(&mix_flag, sizeof(int), 1, fp); +} + +/* ---------------------------------------------------------------------- + proc 0 reads from restart file, bcasts +------------------------------------------------------------------------- */ + +void PairTracker::read_restart_settings(FILE *fp) +{ + if (comm->me == 0) { utils::sfread(FLERR, &mix_flag, sizeof(int), 1, fp, nullptr, error); } + MPI_Bcast(&mix_flag, 1, MPI_INT, 0, world); +} + +/* ---------------------------------------------------------------------- */ + +double PairTracker::single(int /*i*/, int /*j*/, int /*itype*/, int /*jtype*/, double /*rsq*/, + double /*factor_coul*/, double /*factor_lj*/, double &/*fforce*/) +{ + return 0.0; +} + +/* ---------------------------------------------------------------------- + transfer history during fix/neigh/history exchange + only needed if any history entries i-j are not just negative of j-i entries +------------------------------------------------------------------------- */ + +void PairTracker::transfer_history(double *source, double *target) +{ + for (int i = 0; i < size_history; i++) target[i] = source[i]; +} + +/* ---------------------------------------------------------------------- + self-interaction range of particle if finite particles +------------------------------------------------------------------------- */ + +double PairTracker::atom2cut(int i) +{ + double cut = atom->radius[i] * 2; + return cut; +} + +/* ---------------------------------------------------------------------- + maximum interaction range for two finite particles +------------------------------------------------------------------------- */ + +double PairTracker::radii2cut(double r1, double r2) +{ + double cut = r1 + r2; + return cut; +} diff --git a/src/MISC/pair_tracker.h b/src/MISC/pair_tracker.h new file mode 100644 index 0000000000..c6825c410e --- /dev/null +++ b/src/MISC/pair_tracker.h @@ -0,0 +1,91 @@ +/* -*- c++ -*- ---------------------------------------------------------- + LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator + https://www.lammps.org/, Sandia National Laboratories + Steve Plimpton, sjplimp@sandia.gov + + Copyright (2003) Sandia Corporation. Under the terms of Contract + DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains + certain rights in this software. This software is distributed under + the GNU General Public License. + + See the README file in the top-level LAMMPS directory. +------------------------------------------------------------------------- */ + +#ifdef PAIR_CLASS +// clang-format off +PairStyle(tracker,PairTracker); +// clang-format on +#else + +#ifndef LMP_PAIR_TRACKER_H +#define LMP_PAIR_TRACKER_H + +#include "pair.h" + +namespace LAMMPS_NS { + +class PairTracker : public Pair { + public: + PairTracker(class LAMMPS *); + virtual ~PairTracker(); + virtual void compute(int, int); + virtual void settings(int, char **); + void coeff(int, char **); + void init_style(); + double init_one(int, int); + void write_restart(FILE *); + void read_restart(FILE *); + void write_restart_settings(FILE *); + void read_restart_settings(FILE *); + virtual double single(int, int, int, int, double, double, double, double &); + double atom2cut(int); + double radii2cut(double, double); + + protected: + int sizeflag; + int history; + int size_history; + int neighprev; + double **cut; + double *onerad_dynamic, *onerad_frozen; + double *maxrad_dynamic, *maxrad_frozen; + int freeze_group_bit; + + class FixDummy *fix_dummy; + class FixNeighHistory *fix_history; + class FixPairTracker *fix_pair_tracker; + + void transfer_history(double *, double *); + void allocate(); +}; + +} // namespace LAMMPS_NS + +#endif +#endif + +/* ERROR/WARNING messages: + +E: Illegal ... command + +Self-explanatory. Check the input script syntax and compare to the +documentation for the command. You can use -echo screen as a +command-line option when running LAMMPS to see the offending line. + +E: Incorrect args for pair coefficients + +Self-explanatory. Check the input script or data file. + +E: Pair tracker requires atom attribute radius for finite cutoffs + +The atom style defined does not have these attributes. + +E: Could not find pair fix neigh history ID + +The associated fix neigh/history is missing + +E: Cannot use pair tracker without fix pair/tracker + +This pairstyle requires one to define a pair/tracker fix + +*/ diff --git a/src/ML-QUIP/pair_quip.cpp b/src/ML-QUIP/pair_quip.cpp index a9d3fa61e2..f1a2eb8a4a 100644 --- a/src/ML-QUIP/pair_quip.cpp +++ b/src/ML-QUIP/pair_quip.cpp @@ -1,4 +1,3 @@ -// clang-format off /* ---------------------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator https://www.lammps.org/, Sandia National Laboratories @@ -28,6 +27,7 @@ #include "neigh_list.h" #include "neigh_request.h" #include "neighbor.h" +#include "potential_file_reader.h" #include "update.h" #include @@ -45,7 +45,7 @@ PairQUIP::PairQUIP(LAMMPS *lmp) : Pair(lmp) no_virial_fdotr_compute = 1; manybody_flag = 1; centroidstressflag = CENTROID_NOTAVAIL; - + unit_convert_flag = utils::NOCONVERT; map = nullptr; quip_potential = nullptr; quip_file = nullptr; @@ -57,11 +57,11 @@ PairQUIP::~PairQUIP() if (allocated) { memory->destroy(setflag); memory->destroy(cutsq); - delete [] map; + delete[] map; } - delete [] quip_potential; - delete [] quip_file; - delete [] quip_string; + delete[] quip_potential; + delete[] quip_file; + delete[] quip_string; } void PairQUIP::compute(int eflag, int vflag) @@ -83,7 +83,7 @@ void PairQUIP::compute(int eflag, int vflag) double *quip_local_e, *quip_force, *quip_local_virial, *quip_virial, quip_energy, *lattice; - ev_init(eflag,vflag); + ev_init(eflag, vflag); inum = list->inum; ilist = list->ilist; @@ -91,7 +91,7 @@ void PairQUIP::compute(int eflag, int vflag) firstneigh = list->firstneigh; sum_num_neigh = 0; - quip_num_neigh = new int [inum]; + quip_num_neigh = new int[inum]; for (ii = 0; ii < inum; ii++) { i = ilist[ii]; @@ -99,7 +99,7 @@ void PairQUIP::compute(int eflag, int vflag) sum_num_neigh += numneigh[i]; } - quip_neigh = new int [sum_num_neigh]; + quip_neigh = new int[sum_num_neigh]; iquip = 0; for (ii = 0; ii < inum; ii++) { @@ -114,15 +114,14 @@ void PairQUIP::compute(int eflag, int vflag) } atomic_numbers = new int[ntotal]; - for (ii = 0; ii < ntotal; ii++) - atomic_numbers[ii] = map[type[ii]]; + for (ii = 0; ii < ntotal; ii++) atomic_numbers[ii] = map[type[ii]]; - quip_local_e = new double [ntotal]; - quip_force = new double [ntotal*3]; - quip_local_virial = new double [ntotal*9]; - quip_virial = new double [9]; + quip_local_e = new double[ntotal]; + quip_force = new double[ntotal * 3]; + quip_local_virial = new double[ntotal * 9]; + quip_virial = new double[9]; - lattice = new double [9]; + lattice = new double[9]; lattice[0] = domain->xprd; lattice[1] = 0.0; lattice[2] = 0.0; @@ -138,81 +137,68 @@ void PairQUIP::compute(int eflag, int vflag) int tmplarge = 0, toolarge = 0; for (ii = 0; ii < ntotal; ++ii) { tmptag[ii] = tag[ii]; - if (tag[ii] > MAXSMALLINT) tmplarge=1; + if (tag[ii] > MAXSMALLINT) tmplarge = 1; } - MPI_Allreduce(&tmplarge,&toolarge,1,MPI_INT,MPI_MAX,world); - if (toolarge > 0) - error->all(FLERR,"Pair style quip does not support 64-bit atom IDs"); + MPI_Allreduce(&tmplarge, &toolarge, 1, MPI_INT, MPI_MAX, world); + if (toolarge > 0) error->all(FLERR, "Pair style quip does not support 64-bit atom IDs"); - quip_lammps_wrapper(&nlocal,&nghost,atomic_numbers,tmptag, - &inum,&sum_num_neigh,ilist, - quip_num_neigh,quip_neigh,lattice, - quip_potential,&n_quip_potential,&x[0][0], - &quip_energy,quip_local_e,quip_virial, - quip_local_virial,quip_force); + quip_lammps_wrapper(&nlocal, &nghost, atomic_numbers, tmptag, &inum, &sum_num_neigh, ilist, + quip_num_neigh, quip_neigh, lattice, quip_potential, &n_quip_potential, + &x[0][0], &quip_energy, quip_local_e, quip_virial, quip_local_virial, + quip_force); delete[] tmptag; #else - quip_lammps_wrapper(&nlocal,&nghost,atomic_numbers,tag, - &inum,&sum_num_neigh,ilist, - quip_num_neigh,quip_neigh,lattice, - quip_potential,&n_quip_potential,&x[0][0], - &quip_energy,quip_local_e,quip_virial, - quip_local_virial,quip_force); + quip_lammps_wrapper(&nlocal, &nghost, atomic_numbers, tag, &inum, &sum_num_neigh, ilist, + quip_num_neigh, quip_neigh, lattice, quip_potential, &n_quip_potential, + &x[0][0], &quip_energy, quip_local_e, quip_virial, quip_local_virial, + quip_force); #endif iquip = 0; for (ii = 0; ii < ntotal; ii++) { - for (jj = 0; jj < 3; jj++) { - f[ii][jj] += quip_force[iquip]; - iquip++; - } - } - - if (eflag_global) { - eng_vdwl = quip_energy; - } - - if (eflag_atom) { - for (ii = 0; ii < ntotal; ii++) { - eatom[ii] = quip_local_e[ii]; + for (jj = 0; jj < 3; jj++) { + f[ii][jj] += quip_force[iquip]; + iquip++; } } + if (eflag_global) { eng_vdwl = quip_energy; } + + if (eflag_atom) { + for (ii = 0; ii < ntotal; ii++) { eatom[ii] = quip_local_e[ii]; } + } + if (vflag_global) { - virial[0] = quip_virial[0]; - virial[1] = quip_virial[4]; - virial[2] = quip_virial[8]; - virial[3] = (quip_virial[3] + quip_virial[1])*0.5; - virial[4] = (quip_virial[2] + quip_virial[6])*0.5; - virial[5] = (quip_virial[5] + quip_virial[7])*0.5; + virial[0] = quip_virial[0]; + virial[1] = quip_virial[4]; + virial[2] = quip_virial[8]; + virial[3] = (quip_virial[3] + quip_virial[1]) * 0.5; + virial[4] = (quip_virial[2] + quip_virial[6]) * 0.5; + virial[5] = (quip_virial[5] + quip_virial[7]) * 0.5; } if (vflag_atom) { int iatom = 0; - for (ii = 0; ii < ntotal; ii++) { - vatom[ii][0] += quip_local_virial[iatom+0]; - vatom[ii][1] += quip_local_virial[iatom+4]; - vatom[ii][2] += quip_local_virial[iatom+8]; - vatom[ii][3] += (quip_local_virial[iatom+3] + - quip_local_virial[iatom+1])*0.5; - vatom[ii][4] += (quip_local_virial[iatom+2] + - quip_local_virial[iatom+6])*0.5; - vatom[ii][5] += (quip_local_virial[iatom+5] + - quip_local_virial[iatom+7])*0.5; - iatom += 9; - } + for (ii = 0; ii < ntotal; ii++) { + vatom[ii][0] += quip_local_virial[iatom + 0]; + vatom[ii][1] += quip_local_virial[iatom + 4]; + vatom[ii][2] += quip_local_virial[iatom + 8]; + vatom[ii][3] += (quip_local_virial[iatom + 3] + quip_local_virial[iatom + 1]) * 0.5; + vatom[ii][4] += (quip_local_virial[iatom + 2] + quip_local_virial[iatom + 6]) * 0.5; + vatom[ii][5] += (quip_local_virial[iatom + 5] + quip_local_virial[iatom + 7]) * 0.5; + iatom += 9; + } } - delete [] atomic_numbers; - delete [] quip_num_neigh; - delete [] quip_neigh; - delete [] quip_local_e; - delete [] quip_force; - delete [] quip_virial; - delete [] quip_local_virial; - delete [] lattice; - + delete[] atomic_numbers; + delete[] quip_num_neigh; + delete[] quip_neigh; + delete[] quip_local_e; + delete[] quip_force; + delete[] quip_virial; + delete[] quip_local_virial; + delete[] lattice; } /* ---------------------------------------------------------------------- @@ -221,18 +207,19 @@ void PairQUIP::compute(int eflag, int vflag) void PairQUIP::settings(int narg, char ** /* arg */) { - if (narg != 0) error->all(FLERR,"Illegal pair_style command"); + if (narg != 0) error->all(FLERR, "Illegal pair_style command"); // check if linked to the correct QUIP library API version // as of 2017-07-19 this is API_VERSION 1 if (quip_lammps_api_version() != 1) - error->all(FLERR,"QUIP LAMMPS wrapper API version is not compatible " - "with this version of LAMMPS"); + error->all(FLERR, + "QUIP LAMMPS wrapper API version is not compatible " + "with this version of LAMMPS"); // QUIP potentials are parameterized in metal units - if (strcmp("metal",update->unit_style) != 0) - error->all(FLERR,"QUIP potentials require 'metal' units"); + if (strcmp("metal", update->unit_style) != 0) + error->all(FLERR, "QUIP potentials require 'metal' units"); } /* ---------------------------------------------------------------------- @@ -243,9 +230,9 @@ void PairQUIP::allocate() allocated = 1; int n = atom->ntypes; - setflag = memory->create(setflag,n+1,n+1,"pair:setflag"); - cutsq = memory->create(cutsq,n+1,n+1,"pair:cutsq"); - map = new int[n+1]; + setflag = memory->create(setflag, n + 1, n + 1, "pair:setflag"); + cutsq = memory->create(cutsq, n + 1, n + 1, "pair:cutsq"); + map = new int[n + 1]; } void PairQUIP::coeff(int narg, char **arg) @@ -253,33 +240,32 @@ void PairQUIP::coeff(int narg, char **arg) if (!allocated) allocate(); int n = atom->ntypes; - if (narg != (4+n)) - error->all(FLERR,"Number of arguments {} is not correct, " - "it should be {}", narg, 4+n); + if (narg != (4 + n)) + error->all(FLERR, "Number of arguments {} is not correct, it should be {}", narg, 4 + n); - // ensure I,J args are * * + if (comm->me == 0) { + PotentialFileReader reader(lmp, arg[2], "QUIP", unit_convert_flag); + auto comment = reader.next_string(); + } - if (strcmp(arg[0],"*") != 0 || strcmp(arg[1],"*") != 0) - error->all(FLERR,"Incorrect args for pair coefficients"); - - quip_file = utils::strdup(arg[2]); + // use expanded file name, including LAMMPS_POTENTIALS search path + quip_file = utils::strdup(utils::get_potential_file_path(arg[2])); quip_string = utils::strdup(arg[3]); n_quip_file = strlen(quip_file); n_quip_string = strlen(quip_string); for (int i = 4; i < narg; i++) { - if (strcmp(arg[i],"NULL") == 0) - map[i-3] = -1; + if (strcmp(arg[i], "NULL") == 0) + map[i - 3] = -1; else - map[i-3] = utils::inumeric(FLERR,arg[i],false,lmp); + map[i - 3] = utils::inumeric(FLERR, arg[i], false, lmp); } // clear setflag since coeff() called once with I,J = * * n = atom->ntypes; for (int i = 1; i <= n; i++) - for (int j = i; j <= n; j++) - setflag[i][j] = 0; + for (int j = i; j <= n; j++) setflag[i][j] = 0; // set setflag i,j for type pairs where both are mapped to elements @@ -291,21 +277,25 @@ void PairQUIP::coeff(int narg, char **arg) count++; } - if (count == 0) error->all(FLERR,"Incorrect args for pair coefficients"); + if (count == 0) error->all(FLERR, "Incorrect args for pair coefficients"); // Initialise potential - // First call initializes potential via the fortran code in memory, and returns the necessary size - // of quip_potential. This behavior is invoked by setting n_potential_quip to 0. + // First call initializes potential via the fortran code in memory, + // and returns the necessary size of quip_potential. This behavior + // is invoked by setting n_potential_quip to 0. n_quip_potential = 0; quip_potential = new int[0]; - quip_lammps_potential_initialise(quip_potential,&n_quip_potential,&cutoff,quip_file,&n_quip_file,quip_string,&n_quip_string); - delete [] quip_potential; + quip_lammps_potential_initialise(quip_potential, &n_quip_potential, &cutoff, quip_file, + &n_quip_file, quip_string, &n_quip_string); + delete[] quip_potential; - // Allocate quip_potential integer array. This initialise call will transfer the location of the - // previously initialised potential to the quip_potential variable, and we will use it as a handle - // when calling the actual calculation routine. We return the cutoff as well. + // Allocate quip_potential integer array. This initialise call will transfer + // the location of the previously initialised potential to the quip_potential + // variable, and we will use it as a handle when calling the actual calculation + // routine. We return the cutoff as well. quip_potential = new int[n_quip_potential]; - quip_lammps_potential_initialise(quip_potential,&n_quip_potential,&cutoff,quip_file,&n_quip_file,quip_string,&n_quip_string); + quip_lammps_potential_initialise(quip_potential, &n_quip_potential, &cutoff, quip_file, + &n_quip_file, quip_string, &n_quip_string); } /* ---------------------------------------------------------------------- @@ -316,8 +306,7 @@ void PairQUIP::init_style() { // Require newton pair on - if (force->newton_pair != 1) - error->all(FLERR,"Pair style quip requires newton pair on"); + if (force->newton_pair != 1) error->all(FLERR, "Pair style quip requires newton pair on"); // Initialise neighbor list int irequest_full = neighbor->request(this); diff --git a/src/NETCDF/dump_netcdf.cpp b/src/NETCDF/dump_netcdf.cpp index e13bea910f..cd7783a0aa 100644 --- a/src/NETCDF/dump_netcdf.cpp +++ b/src/NETCDF/dump_netcdf.cpp @@ -18,53 +18,52 @@ #if defined(LMP_HAS_NETCDF) -#include -#include #include "dump_netcdf.h" + #include "atom.h" #include "comm.h" #include "compute.h" #include "domain.h" #include "error.h" #include "fix.h" +#include "force.h" #include "group.h" #include "input.h" #include "math_const.h" #include "memory.h" #include "modify.h" -#include "update.h" -#include "universe.h" -#include "variable.h" -#include "force.h" #include "output.h" #include "thermo.h" +#include "universe.h" +#include "update.h" +#include "variable.h" + +#include +#include using namespace LAMMPS_NS; using namespace MathConst; -enum{THERMO_INT,THERMO_FLOAT,THERMO_BIGINT}; // same as in thermo.cpp -enum{DUMP_INT,DUMP_DOUBLE,DUMP_STRING,DUMP_BIGINT}; // same as in DumpCFG +static const char NC_FRAME_STR[] = "frame"; +static const char NC_SPATIAL_STR[] = "spatial"; +static const char NC_VOIGT_STR[] = "Voigt"; +static const char NC_ATOM_STR[] = "atom"; +static const char NC_CELL_SPATIAL_STR[] = "cell_spatial"; +static const char NC_CELL_ANGULAR_STR[] = "cell_angular"; +static const char NC_LABEL_STR[] = "label"; -const char NC_FRAME_STR[] = "frame"; -const char NC_SPATIAL_STR[] = "spatial"; -const char NC_VOIGT_STR[] = "Voigt"; -const char NC_ATOM_STR[] = "atom"; -const char NC_CELL_SPATIAL_STR[] = "cell_spatial"; -const char NC_CELL_ANGULAR_STR[] = "cell_angular"; -const char NC_LABEL_STR[] = "label"; +static const char NC_TIME_STR[] = "time"; +static const char NC_CELL_ORIGIN_STR[] = "cell_origin"; +static const char NC_CELL_LENGTHS_STR[] = "cell_lengths"; +static const char NC_CELL_ANGLES_STR[] = "cell_angles"; -const char NC_TIME_STR[] = "time"; -const char NC_CELL_ORIGIN_STR[] = "cell_origin"; -const char NC_CELL_LENGTHS_STR[] = "cell_lengths"; -const char NC_CELL_ANGLES_STR[] = "cell_angles"; +static const char NC_UNITS_STR[] = "units"; +static const char NC_SCALE_FACTOR_STR[] = "scale_factor"; -const char NC_UNITS_STR[] = "units"; -const char NC_SCALE_FACTOR_STR[] = "scale_factor"; - -const int THIS_IS_A_FIX = -1; -const int THIS_IS_A_COMPUTE = -2; -const int THIS_IS_A_VARIABLE = -3; -const int THIS_IS_A_BIGINT = -4; +static constexpr int THIS_IS_A_FIX = -1; +static constexpr int THIS_IS_A_COMPUTE = -2; +static constexpr int THIS_IS_A_VARIABLE = -3; +static constexpr int THIS_IS_A_BIGINT = -4; /* ---------------------------------------------------------------------- */ @@ -98,78 +97,65 @@ DumpNetCDF::DumpNetCDF(LAMMPS *lmp, int narg, char **arg) : } n_perat = 0; - for (int iarg = 5; iarg < narg; iarg++) { - int i = iarg-5; + for (int i = 0; i < nfield; i++) { int idim = 0; int ndims = 1; - char mangled[1024]; + std::string mangled = earg[i]; bool constant = false; - strcpy(mangled, arg[iarg]); - // name mangling // in the AMBER specification - if (!strcmp(mangled, "x") || !strcmp(mangled, "y") || - !strcmp(mangled, "z")) { + if ((mangled == "x") || (mangled == "y") || (mangled == "z")) { idim = mangled[0] - 'x'; ndims = 3; - strcpy(mangled, "coordinates"); - } - else if (!strcmp(mangled, "vx") || !strcmp(mangled, "vy") || - !strcmp(mangled, "vz")) { + mangled = "coordinates"; + } else if ((mangled == "vx") || (mangled == "vy") || (mangled == "vz")) { idim = mangled[1] - 'x'; ndims = 3; - strcpy(mangled, "velocities"); - } - else if (!strcmp(mangled, "xs") || !strcmp(mangled, "ys") || - !strcmp(mangled, "zs")) { + mangled = "velocities"; + } else if ((mangled == "xs") || (mangled == "ys") || (mangled == "zs")) { idim = mangled[0] - 'x'; ndims = 3; - strcpy(mangled, "scaled_coordinates"); - } - else if (!strcmp(mangled, "xu") || !strcmp(mangled, "yu") || - !strcmp(mangled, "zu")) { + mangled = "scaled_coordinates"; + } else if ((mangled == "xu") || (mangled == "yu") || (mangled == "zu")) { idim = mangled[0] - 'x'; ndims = 3; - strcpy(mangled, "unwrapped_coordinates"); - } - else if (!strcmp(mangled, "fx") || !strcmp(mangled, "fy") || - !strcmp(mangled, "fz")) { + mangled = "unwrapped_coordinates"; + } else if ((mangled == "fx") || (mangled == "fy") || (mangled == "fz")) { idim = mangled[1] - 'x'; ndims = 3; - strcpy(mangled, "forces"); - } - else if (!strcmp(mangled, "mux") || !strcmp(mangled, "muy") || - !strcmp(mangled, "muz")) { + mangled = "forces"; + } else if ((mangled == "mux") || (mangled == "muy") || (mangled == "muz")) { idim = mangled[2] - 'x'; ndims = 3; - strcpy(mangled, "mu"); - } - else if (!strncmp(mangled, "c_", 2)) { - char *ptr = strchr(mangled, '['); - if (ptr) { - if (mangled[strlen(mangled)-1] != ']') + mangled = "mu"; + } else if (utils::strmatch(mangled, "^c_")) { + std::size_t found = mangled.find('['); + if (found != std::string::npos) { + if (mangled.find(']',found) == std::string::npos) error->all(FLERR,"Missing ']' in dump command"); - *ptr = '\0'; - idim = ptr[1] - '1'; + idim = mangled[found+1] - '1'; + mangled = mangled.substr(0,found); ndims = THIS_IS_A_COMPUTE; } - } - else if (!strncmp(mangled, "f_", 2)) { - char *ptr = strchr(mangled, '['); - if (ptr) { - if (mangled[strlen(mangled)-1] != ']') + } else if (utils::strmatch(mangled, "^f_")) { + std::size_t found = mangled.find('['); + if (found != std::string::npos) { + if (mangled.find(']',found) == std::string::npos) error->all(FLERR,"Missing ']' in dump command"); - *ptr = '\0'; - idim = ptr[1] - '1'; + idim = mangled[found+1] - '1'; + mangled = mangled.substr(0,found); ndims = THIS_IS_A_FIX; } + } else if (utils::strmatch(mangled, "^v_")) { + idim = 0; + ndims = THIS_IS_A_VARIABLE; } // find mangled name int inc = -1; for (int j = 0; j < n_perat && inc < 0; j++) { - if (!strcmp(perat[j].name, mangled)) { + if (mangled == perat[j].name) { inc = j; } } @@ -182,7 +168,7 @@ DumpNetCDF::DumpNetCDF(LAMMPS *lmp, int narg, char **arg) : for (int j = 0; j < DUMP_NC_MAX_DIMS; j++) { perat[inc].field[j] = -1; } - strncpy(perat[inc].name, mangled, NC_FIELD_NAME_MAX); + strncpy(perat[inc].name, mangled.c_str(), NC_FIELD_NAME_MAX); n_perat++; } @@ -209,8 +195,8 @@ DumpNetCDF::~DumpNetCDF() { closefile(); - delete [] perat; - if (thermovar) delete [] thermovar; + delete[] perat; + if (thermovar) delete[] thermovar; if (int_buffer) memory->sfree(int_buffer); if (double_buffer) memory->sfree(double_buffer); @@ -227,8 +213,7 @@ void DumpNetCDF::openfile() char *ptr = strchr(filestar,'*'); *ptr = '\0'; if (padflag == 0) - sprintf(filecurrent,"%s" BIGINT_FORMAT "%s", - filestar,update->ntimestep,ptr+1); + sprintf(filecurrent,"%s" BIGINT_FORMAT "%s", filestar,update->ntimestep,ptr+1); else { char bif[8],pad[16]; strcpy(bif,BIGINT_FORMAT); @@ -239,7 +224,7 @@ void DumpNetCDF::openfile() } if (thermo && !singlefile_opened) { - if (thermovar) delete [] thermovar; + if (thermovar) delete[] thermovar; thermovar = new int[output->thermo->nfield]; } @@ -260,8 +245,7 @@ void DumpNetCDF::openfile() perat[i].dims = compute[j]->size_peratom_cols; if (perat[i].dims > DUMP_NC_MAX_DIMS) error->all(FLERR,"perat[i].dims > DUMP_NC_MAX_DIMS"); - } - else if (perat[i].dims == THIS_IS_A_FIX) { + } else if (perat[i].dims == THIS_IS_A_FIX) { int j = -1; for (int k = 0; k < DUMP_NC_MAX_DIMS; k++) { if (perat[i].field[k] >= 0) { @@ -275,6 +259,8 @@ void DumpNetCDF::openfile() perat[i].dims = fix[j]->size_peratom_cols; if (perat[i].dims > DUMP_NC_MAX_DIMS) error->all(FLERR,"perat[i].dims > DUMP_NC_MAX_DIMS"); + } else if (perat[i].dims == THIS_IS_A_VARIABLE) { + error->all(FLERR,"Dump netcdf currently does not support dumping variables"); } } @@ -289,8 +275,7 @@ void DumpNetCDF::openfile() // Fixme! Perform checks if dimensions and variables conform with // data structure standard. if (not utils::file_is_readable(filecurrent)) - error->all(FLERR, "cannot append to non-existent file {}", - filecurrent); + error->all(FLERR, "cannot append to non-existent file {}",filecurrent); if (singlefile_opened) return; singlefile_opened = 1; @@ -300,10 +285,8 @@ void DumpNetCDF::openfile() // dimensions NCERRX( nc_inq_dimid(ncid, NC_FRAME_STR, &frame_dim), NC_FRAME_STR ); NCERRX( nc_inq_dimid(ncid, NC_ATOM_STR, &atom_dim), NC_ATOM_STR ); - NCERRX( nc_inq_dimid(ncid, NC_CELL_SPATIAL_STR, &cell_spatial_dim), - NC_CELL_SPATIAL_STR ); - NCERRX( nc_inq_dimid(ncid, NC_CELL_ANGULAR_STR, &cell_angular_dim), - NC_CELL_ANGULAR_STR ); + NCERRX( nc_inq_dimid(ncid, NC_CELL_SPATIAL_STR, &cell_spatial_dim), NC_CELL_SPATIAL_STR ); + NCERRX( nc_inq_dimid(ncid, NC_CELL_ANGULAR_STR, &cell_angular_dim), NC_CELL_ANGULAR_STR ); NCERRX( nc_inq_dimid(ncid, NC_LABEL_STR, &label_dim), NC_LABEL_STR ); for (int i = 0; i < n_perat; i++) { @@ -312,47 +295,36 @@ void DumpNetCDF::openfile() char dimstr[1024]; if (dims == 3) { strcpy(dimstr, NC_SPATIAL_STR); - } - else if (dims == 6) { + } else if (dims == 6) { strcpy(dimstr, NC_VOIGT_STR); - } - else { + } else { sprintf(dimstr, "vec%i", dims); } if (dims != 1) { - NCERRX( nc_inq_dimid(ncid, dimstr, &vector_dim[dims]), - dimstr ); + NCERRX( nc_inq_dimid(ncid, dimstr, &vector_dim[dims]), dimstr ); } } } // default variables - NCERRX( nc_inq_varid(ncid, NC_SPATIAL_STR, &spatial_var), - NC_SPATIAL_STR ); - NCERRX( nc_inq_varid(ncid, NC_CELL_SPATIAL_STR, &cell_spatial_var), - NC_CELL_SPATIAL_STR); - NCERRX( nc_inq_varid(ncid, NC_CELL_ANGULAR_STR, &cell_angular_var), - NC_CELL_ANGULAR_STR); + NCERRX( nc_inq_varid(ncid, NC_SPATIAL_STR, &spatial_var), NC_SPATIAL_STR ); + NCERRX( nc_inq_varid(ncid, NC_CELL_SPATIAL_STR, &cell_spatial_var), NC_CELL_SPATIAL_STR); + NCERRX( nc_inq_varid(ncid, NC_CELL_ANGULAR_STR, &cell_angular_var), NC_CELL_ANGULAR_STR); NCERRX( nc_inq_varid(ncid, NC_TIME_STR, &time_var), NC_TIME_STR ); - NCERRX( nc_inq_varid(ncid, NC_CELL_ORIGIN_STR, &cell_origin_var), - NC_CELL_ORIGIN_STR ); - NCERRX( nc_inq_varid(ncid, NC_CELL_LENGTHS_STR, &cell_lengths_var), - NC_CELL_LENGTHS_STR); - NCERRX( nc_inq_varid(ncid, NC_CELL_ANGLES_STR, &cell_angles_var), - NC_CELL_ANGLES_STR); + NCERRX( nc_inq_varid(ncid, NC_CELL_ORIGIN_STR, &cell_origin_var), NC_CELL_ORIGIN_STR ); + NCERRX( nc_inq_varid(ncid, NC_CELL_LENGTHS_STR, &cell_lengths_var), NC_CELL_LENGTHS_STR); + NCERRX( nc_inq_varid(ncid, NC_CELL_ANGLES_STR, &cell_angles_var), NC_CELL_ANGLES_STR); for (int i = 0; i < n_perat; i++) { - NCERRX( nc_inq_varid(ncid, perat[i].name, &perat[i].var), - perat[i].name ); + NCERRX( nc_inq_varid(ncid, perat[i].name, &perat[i].var), perat[i].name ); } // perframe variables if (thermo) { Thermo *th = output->thermo; for (int i = 0; i < th->nfield; i++) { - NCERRX( nc_inq_varid(ncid, th->keyword[i], &thermovar[i]), - th->keyword[i] ); + NCERRX( nc_inq_varid(ncid, th->keyword[i], &thermovar[i]), th->keyword[i] ); } } @@ -374,79 +346,65 @@ void DumpNetCDF::openfile() if (singlefile_opened) return; singlefile_opened = 1; - NCERRX( nc_create(filecurrent, NC_64BIT_DATA, &ncid), - filecurrent ); + NCERRX( nc_create(filecurrent, NC_64BIT_DATA, &ncid), filecurrent ); // dimensions - NCERRX( nc_def_dim(ncid, NC_FRAME_STR, NC_UNLIMITED, &frame_dim), - NC_FRAME_STR ); - NCERRX( nc_def_dim(ncid, NC_ATOM_STR, ntotalgr, &atom_dim), - NC_ATOM_STR ); - NCERRX( nc_def_dim(ncid, NC_CELL_SPATIAL_STR, 3, &cell_spatial_dim), - NC_CELL_SPATIAL_STR ); - NCERRX( nc_def_dim(ncid, NC_CELL_ANGULAR_STR, 3, &cell_angular_dim), - NC_CELL_ANGULAR_STR ); - NCERRX( nc_def_dim(ncid, NC_LABEL_STR, 10, &label_dim), - NC_LABEL_STR ); + NCERRX( nc_def_dim(ncid, NC_FRAME_STR, NC_UNLIMITED, &frame_dim), NC_FRAME_STR ); + NCERRX( nc_def_dim(ncid, NC_ATOM_STR, ntotalgr, &atom_dim), NC_ATOM_STR ); + NCERRX( nc_def_dim(ncid, NC_CELL_SPATIAL_STR, 3, &cell_spatial_dim), NC_CELL_SPATIAL_STR ); + NCERRX( nc_def_dim(ncid, NC_CELL_ANGULAR_STR, 3, &cell_angular_dim), NC_CELL_ANGULAR_STR ); + NCERRX( nc_def_dim(ncid, NC_LABEL_STR, 10, &label_dim), NC_LABEL_STR ); for (int i = 0; i < n_perat; i++) { - int dims = perat[i].dims; - if (vector_dim[dims] < 0) { + int dim = perat[i].dims; + if (vector_dim[dim] < 0) { char dimstr[1024]; - if (dims == 3) { + if (dim == 3) { strcpy(dimstr, NC_SPATIAL_STR); - } - else if (dims == 6) { + } else if (dim == 6) { strcpy(dimstr, NC_VOIGT_STR); + } else { + sprintf(dimstr, "vec%i", dim); } - else { - sprintf(dimstr, "vec%i", dims); - } - if (dims != 1) { - NCERRX( nc_def_dim(ncid, dimstr, dims, &vector_dim[dims]), - dimstr ); + if (dim != 1) { + NCERRX( nc_def_dim(ncid, dimstr, dim, &vector_dim[dim]), dimstr ); } } } // default variables - dims[0] = vector_dim[3]; - NCERRX( nc_def_var(ncid, NC_SPATIAL_STR, NC_CHAR, 1, dims, &spatial_var), - NC_SPATIAL_STR ); - NCERRX( nc_def_var(ncid, NC_CELL_SPATIAL_STR, NC_CHAR, 1, dims, - &cell_spatial_var), NC_CELL_SPATIAL_STR ); - dims[0] = vector_dim[3]; + dims[0] = 0; + NCERRX( nc_def_var(ncid, NC_SPATIAL_STR, NC_CHAR, 1, dims, &spatial_var), NC_SPATIAL_STR ); + NCERRX( nc_def_var(ncid, NC_CELL_SPATIAL_STR, NC_CHAR, 1, dims, &cell_spatial_var), NC_CELL_SPATIAL_STR ); + dims[0] = 0; dims[1] = label_dim; - NCERRX( nc_def_var(ncid, NC_CELL_ANGULAR_STR, NC_CHAR, 2, dims, - &cell_angular_var), NC_CELL_ANGULAR_STR ); + NCERRX( nc_def_var(ncid, NC_CELL_ANGULAR_STR, NC_CHAR, 2, dims, &cell_angular_var), NC_CELL_ANGULAR_STR ); dims[0] = frame_dim; - NCERRX( nc_def_var(ncid, NC_TIME_STR, NC_DOUBLE, 1, dims, &time_var), - NC_TIME_STR); + NCERRX( nc_def_var(ncid, NC_TIME_STR, NC_DOUBLE, 1, dims, &time_var), NC_TIME_STR); dims[0] = frame_dim; dims[1] = cell_spatial_dim; - NCERRX( nc_def_var(ncid, NC_CELL_ORIGIN_STR, NC_DOUBLE, 2, dims, - &cell_origin_var), NC_CELL_ORIGIN_STR ); - NCERRX( nc_def_var(ncid, NC_CELL_LENGTHS_STR, NC_DOUBLE, 2, dims, - &cell_lengths_var), NC_CELL_LENGTHS_STR ); + NCERRX( nc_def_var(ncid, NC_CELL_ORIGIN_STR, NC_DOUBLE, 2, dims, &cell_origin_var), NC_CELL_ORIGIN_STR ); + NCERRX( nc_def_var(ncid, NC_CELL_LENGTHS_STR, NC_DOUBLE, 2, dims, &cell_lengths_var), NC_CELL_LENGTHS_STR ); dims[0] = frame_dim; dims[1] = cell_angular_dim; - NCERRX( nc_def_var(ncid, NC_CELL_ANGLES_STR, NC_DOUBLE, 2, dims, - &cell_angles_var), NC_CELL_ANGLES_STR ); + NCERRX( nc_def_var(ncid, NC_CELL_ANGLES_STR, NC_DOUBLE, 2, dims, &cell_angles_var), NC_CELL_ANGLES_STR ); // variables specified in the input file dims[0] = frame_dim; dims[1] = atom_dim; - dims[2] = vector_dim[3]; + dims[2] = 0; for (int i = 0; i < n_perat; i++) { nc_type xtype; // Type mangling - if (vtype[perat[i].field[0]] == DUMP_INT) { + if (vtype[perat[i].field[0]] == Dump::INT) { xtype = NC_INT; - } else if (vtype[perat[i].field[0]] == DUMP_BIGINT) { + } else if (vtype[perat[i].field[0]] == Dump::BIGINT) { xtype = NC_INT64; + } else if (vtype[perat[i].field[0]] == Dump::STRING) { + error->all(FLERR,"Dump netcdf currently does not support dumping string properties"); } else { if (double_precision) xtype = NC_DOUBLE; @@ -457,26 +415,19 @@ void DumpNetCDF::openfile() if (perat[i].constant) { // this quantity will only be written once if (perat[i].dims == 1) { - NCERRX( nc_def_var(ncid, perat[i].name, xtype, 1, dims+1, - &perat[i].var), perat[i].name ); - } - else { + NCERRX( nc_def_var(ncid, perat[i].name, xtype, 1, dims+1, &perat[i].var), perat[i].name ); + } else { // this is a vector dims[1] = vector_dim[perat[i].dims]; - NCERRX( nc_def_var(ncid, perat[i].name, xtype, 2, dims+1, - &perat[i].var), perat[i].name ); + NCERRX( nc_def_var(ncid, perat[i].name, xtype, 2, dims+1, &perat[i].var), perat[i].name ); } - } - else { + } else { if (perat[i].dims == 1) { - NCERRX( nc_def_var(ncid, perat[i].name, xtype, 2, dims, - &perat[i].var), perat[i].name ); - } - else { + NCERRX( nc_def_var(ncid, perat[i].name, xtype, 2, dims, &perat[i].var), perat[i].name ); + } else { // this is a vector dims[2] = vector_dim[perat[i].dims]; - NCERRX( nc_def_var(ncid, perat[i].name, xtype, 3, dims, - &perat[i].var), perat[i].name ); + NCERRX( nc_def_var(ncid, perat[i].name, xtype, 3, dims, &perat[i].var), perat[i].name ); } } } @@ -485,15 +436,13 @@ void DumpNetCDF::openfile() if (thermo) { Thermo *th = output->thermo; for (int i = 0; i < th->nfield; i++) { - if (th->vtype[i] == THERMO_FLOAT) { + if (th->vtype[i] == Thermo::FLOAT) { NCERRX( nc_def_var(ncid, th->keyword[i], NC_DOUBLE, 1, dims, &thermovar[i]), th->keyword[i] ); - } - else if (th->vtype[i] == THERMO_INT) { + } else if (th->vtype[i] == Thermo::INT) { NCERRX( nc_def_var(ncid, th->keyword[i], NC_INT, 1, dims, &thermovar[i]), th->keyword[i] ); - } - else if (th->vtype[i] == THERMO_BIGINT) { + } else if (th->vtype[i] == Thermo::BIGINT) { #if defined(LAMMPS_SMALLBIG) || defined(LAMMPS_BIGBIG) NCERRX( nc_def_var(ncid, th->keyword[i], NC_INT64, 1, dims, &thermovar[i]), th->keyword[i] ); @@ -506,83 +455,49 @@ void DumpNetCDF::openfile() } // attributes - NCERR( nc_put_att_text(ncid, NC_GLOBAL, "Conventions", - 5, "AMBER") ); - NCERR( nc_put_att_text(ncid, NC_GLOBAL, "ConventionVersion", - 3, "1.0") ); + NCERR( nc_put_att_text(ncid, NC_GLOBAL, "Conventions", 5, "AMBER") ); + NCERR( nc_put_att_text(ncid, NC_GLOBAL, "ConventionVersion", 3, "1.0") ); - NCERR( nc_put_att_text(ncid, NC_GLOBAL, "program", - 6, "LAMMPS") ); - NCERR( nc_put_att_text(ncid, NC_GLOBAL, "programVersion", - strlen(lmp->version), lmp->version) ); + NCERR( nc_put_att_text(ncid, NC_GLOBAL, "program", 6, "LAMMPS") ); + NCERR( nc_put_att_text(ncid, NC_GLOBAL, "programVersion",strlen(lmp->version), lmp->version) ); // units if (!strcmp(update->unit_style, "lj")) { - NCERR( nc_put_att_text(ncid, time_var, NC_UNITS_STR, - 2, "lj") ); - NCERR( nc_put_att_text(ncid, cell_origin_var, NC_UNITS_STR, - 2, "lj") ); - NCERR( nc_put_att_text(ncid, cell_lengths_var, NC_UNITS_STR, - 2, "lj") ); - } - else if (!strcmp(update->unit_style, "real")) { - NCERR( nc_put_att_text(ncid, time_var, NC_UNITS_STR, - 11, "femtosecond") ); - NCERR( nc_put_att_text(ncid, cell_origin_var, NC_UNITS_STR, - 8, "Angstrom") ); - NCERR( nc_put_att_text(ncid, cell_lengths_var, NC_UNITS_STR, - 8, "Angstrom") ); - } - else if (!strcmp(update->unit_style, "metal")) { - NCERR( nc_put_att_text(ncid, time_var, NC_UNITS_STR, - 10, "picosecond") ); - NCERR( nc_put_att_text(ncid, cell_origin_var, NC_UNITS_STR, - 8, "Angstrom") ); - NCERR( nc_put_att_text(ncid, cell_lengths_var, NC_UNITS_STR, - 8, "Angstrom") ); - } - else if (!strcmp(update->unit_style, "si")) { - NCERR( nc_put_att_text(ncid, time_var, NC_UNITS_STR, - 6, "second") ); - NCERR( nc_put_att_text(ncid, cell_origin_var, NC_UNITS_STR, - 5, "meter") ); - NCERR( nc_put_att_text(ncid, cell_lengths_var, NC_UNITS_STR, - 5, "meter") ); - } - else if (!strcmp(update->unit_style, "cgs")) { - NCERR( nc_put_att_text(ncid, time_var, NC_UNITS_STR, - 6, "second") ); - NCERR( nc_put_att_text(ncid, cell_origin_var, NC_UNITS_STR, - 10, "centimeter") ); - NCERR( nc_put_att_text(ncid, cell_lengths_var, NC_UNITS_STR, - 10, "centimeter") ); - } - else if (!strcmp(update->unit_style, "electron")) { - NCERR( nc_put_att_text(ncid, time_var, NC_UNITS_STR, - 11, "femtosecond") ); - NCERR( nc_put_att_text(ncid, cell_origin_var, NC_UNITS_STR, - 4, "Bohr") ); - NCERR( nc_put_att_text(ncid, cell_lengths_var, NC_UNITS_STR, - 4, "Bohr") ); - } - else { - char errstr[1024]; - sprintf(errstr, "Unsupported unit style '%s'", update->unit_style); - error->all(FLERR,errstr); + NCERR( nc_put_att_text(ncid, time_var, NC_UNITS_STR, 2, "lj") ); + NCERR( nc_put_att_text(ncid, cell_origin_var, NC_UNITS_STR, 2, "lj") ); + NCERR( nc_put_att_text(ncid, cell_lengths_var, NC_UNITS_STR, 2, "lj") ); + } else if (!strcmp(update->unit_style, "real")) { + NCERR( nc_put_att_text(ncid, time_var, NC_UNITS_STR, 11, "femtosecond") ); + NCERR( nc_put_att_text(ncid, cell_origin_var, NC_UNITS_STR, 8, "Angstrom") ); + NCERR( nc_put_att_text(ncid, cell_lengths_var, NC_UNITS_STR, 8, "Angstrom") ); + } else if (!strcmp(update->unit_style, "metal")) { + NCERR( nc_put_att_text(ncid, time_var, NC_UNITS_STR, 10, "picosecond") ); + NCERR( nc_put_att_text(ncid, cell_origin_var, NC_UNITS_STR, 8, "Angstrom") ); + NCERR( nc_put_att_text(ncid, cell_lengths_var, NC_UNITS_STR, 8, "Angstrom") ); + } else if (!strcmp(update->unit_style, "si")) { + NCERR( nc_put_att_text(ncid, time_var, NC_UNITS_STR, 6, "second") ); + NCERR( nc_put_att_text(ncid, cell_origin_var, NC_UNITS_STR, 5, "meter") ); + NCERR( nc_put_att_text(ncid, cell_lengths_var, NC_UNITS_STR, 5, "meter") ); + } else if (!strcmp(update->unit_style, "cgs")) { + NCERR( nc_put_att_text(ncid, time_var, NC_UNITS_STR, 6, "second") ); + NCERR( nc_put_att_text(ncid, cell_origin_var, NC_UNITS_STR, 10, "centimeter") ); + NCERR( nc_put_att_text(ncid, cell_lengths_var, NC_UNITS_STR, 10, "centimeter") ); + } else if (!strcmp(update->unit_style, "electron")) { + NCERR( nc_put_att_text(ncid, time_var, NC_UNITS_STR, 11, "femtosecond") ); + NCERR( nc_put_att_text(ncid, cell_origin_var, NC_UNITS_STR, 4, "Bohr") ); + NCERR( nc_put_att_text(ncid, cell_lengths_var, NC_UNITS_STR, 4, "Bohr") ); + } else { + error->all(FLERR,"Unsupported unit style: {}", update->unit_style); } - NCERR( nc_put_att_text(ncid, cell_angles_var, NC_UNITS_STR, - 6, "degree") ); + NCERR( nc_put_att_text(ncid, cell_angles_var, NC_UNITS_STR,6, "degree") ); d[0] = update->dt; - NCERR( nc_put_att_double(ncid, time_var, NC_SCALE_FACTOR_STR, - NC_DOUBLE, 1, d) ); + NCERR( nc_put_att_double(ncid, time_var, NC_SCALE_FACTOR_STR,NC_DOUBLE, 1, d) ); d[0] = 1.0; - NCERR( nc_put_att_double(ncid, cell_origin_var, NC_SCALE_FACTOR_STR, - NC_DOUBLE, 1, d) ); + NCERR( nc_put_att_double(ncid, cell_origin_var, NC_SCALE_FACTOR_STR,NC_DOUBLE, 1, d) ); d[0] = 1.0; - NCERR( nc_put_att_double(ncid, cell_lengths_var, NC_SCALE_FACTOR_STR, - NC_DOUBLE, 1, d) ); + NCERR( nc_put_att_double(ncid, cell_lengths_var, NC_SCALE_FACTOR_STR,NC_DOUBLE, 1, d) ); /* * Finished with definition @@ -721,16 +636,14 @@ void DumpNetCDF::write() for (int i = 0; i < th->nfield; i++) { th->call_vfunc(i); if (filewriter) { - if (th->vtype[i] == THERMO_FLOAT) { + if (th->vtype[i] == Thermo::FLOAT) { NCERRX( nc_put_var1_double(ncid, thermovar[i], start, &th->dvalue), th->keyword[i] ); - } - else if (th->vtype[i] == THERMO_INT) { + } else if (th->vtype[i] == Thermo::INT) { NCERRX( nc_put_var1_int(ncid, thermovar[i], start, &th->ivalue), th->keyword[i] ); - } - else if (th->vtype[i] == THERMO_BIGINT) { + } else if (th->vtype[i] == Thermo::BIGINT) { NCERRX( nc_put_var1_bigint(ncid, thermovar[i], start, &th->bivalue), th->keyword[i] ); } @@ -773,8 +686,7 @@ void DumpNetCDF::write_header(bigint n) cell_angles[0] = 90; cell_angles[1] = 90; cell_angles[2] = 90; - } - else { + } else { double cosalpha, cosbeta, cosgamma; double *h = domain->h; @@ -806,12 +718,9 @@ void DumpNetCDF::write_header(bigint n) count[0] = 1; count[1] = 3; NCERR( nc_put_var1_double(ncid, time_var, start, &time) ); - NCERR( nc_put_vara_double(ncid, cell_origin_var, start, count, - cell_origin) ); - NCERR( nc_put_vara_double(ncid, cell_lengths_var, start, count, - cell_lengths) ); - NCERR( nc_put_vara_double(ncid, cell_angles_var, start, count, - cell_angles) ); + NCERR( nc_put_vara_double(ncid, cell_origin_var, start, count, cell_origin) ); + NCERR( nc_put_vara_double(ncid, cell_lengths_var, start, count, cell_lengths) ); + NCERR( nc_put_vara_double(ncid, cell_angles_var, start, count, cell_angles) ); } ndata = n; @@ -860,7 +769,7 @@ void DumpNetCDF::write_data(int n, double *mybuf) for (int i = 0; i < n_perat; i++) { int iaux = perat[i].field[0]; - if (vtype[iaux] == DUMP_INT || vtype[iaux] == DUMP_BIGINT) { + if (vtype[iaux] == Dump::INT || vtype[iaux] == Dump::BIGINT) { // integers if (perat[i].dims > 1) { @@ -868,12 +777,11 @@ void DumpNetCDF::write_data(int n, double *mybuf) iaux = perat[i].field[idim]; if (iaux >= 0) { - if (vtype[iaux] == DUMP_INT) { + if (vtype[iaux] == Dump::INT) { for (int j = 0; j < n; j++, iaux+=size_one) { int_buffer[j] = static_cast(mybuf[iaux]); } - } - else { // DUMP_BIGINT + } else { // Dump::BIGINT for (int j = 0; j < n; j++, iaux+=size_one) { int_buffer[j] = static_cast(mybuf[iaux]); } @@ -883,25 +791,19 @@ void DumpNetCDF::write_data(int n, double *mybuf) if (perat[i].constant) { if (perat[i].ndumped < ntotalgr) { - NCERR( nc_put_vars_bigint(ncid, perat[i].var, - start+1, count+1, stride+1, - int_buffer) ); + NCERR( nc_put_vars_bigint(ncid, perat[i].var,start+1, count+1, stride+1,int_buffer) ); perat[i].ndumped += n; } - } - else - NCERR( nc_put_vars_bigint(ncid, perat[i].var, start, count, stride, - int_buffer) ); + } else + NCERR( nc_put_vars_bigint(ncid, perat[i].var, start, count, stride,int_buffer) ); } } - } - else { - if (vtype[iaux] == DUMP_INT) { + } else { + if (vtype[iaux] == Dump::INT) { for (int j = 0; j < n; j++, iaux+=size_one) { int_buffer[j] = static_cast(mybuf[iaux]); } - } - else { // DUMP_BIGINT + } else { // Dump::BIGINT for (int j = 0; j < n; j++, iaux+=size_one) { int_buffer[j] = static_cast(mybuf[iaux]); } @@ -909,17 +811,13 @@ void DumpNetCDF::write_data(int n, double *mybuf) if (perat[i].constant) { if (perat[i].ndumped < ntotalgr) { - NCERR( nc_put_vara_bigint(ncid, perat[i].var, start+1, count+1, - int_buffer) ); + NCERR( nc_put_vara_bigint(ncid, perat[i].var, start+1, count+1,int_buffer) ); perat[i].ndumped += n; } - } - else - NCERR( nc_put_vara_bigint(ncid, perat[i].var, start, count, - int_buffer) ); + } else + NCERR( nc_put_vara_bigint(ncid, perat[i].var, start, count,int_buffer) ); } - } - else { + } else { // doubles if (perat[i].dims > 1) { @@ -940,14 +838,12 @@ void DumpNetCDF::write_data(int n, double *mybuf) double_buffer) ); perat[i].ndumped += n; } - } - else + } else NCERR( nc_put_vars_double(ncid, perat[i].var, start, count, stride, double_buffer) ); } } - } - else { + } else { for (int j = 0; j < n; j++, iaux+=size_one) { double_buffer[j] = mybuf[iaux]; } @@ -958,8 +854,7 @@ void DumpNetCDF::write_data(int n, double *mybuf) double_buffer) ); perat[i].ndumped += n; } - } - else + } else NCERR( nc_put_vara_double(ncid, perat[i].var, start, count, double_buffer) ); } @@ -980,15 +875,12 @@ int DumpNetCDF::modify_param(int narg, char **arg) error->all(FLERR,"expected 'yes' or 'no' after 'double' keyword."); if (strcmp(arg[iarg],"yes") == 0) { double_precision = true; - } - else if (strcmp(arg[iarg],"no") == 0) { + } else if (strcmp(arg[iarg],"no") == 0) { double_precision = false; - } - else error->all(FLERR,"expected 'yes' or 'no' after 'double' keyword."); + } else error->all(FLERR,"expected 'yes' or 'no' after 'double' keyword."); iarg++; return 2; - } - else if (strcmp(arg[iarg],"at") == 0) { + } else if (strcmp(arg[iarg],"at") == 0) { iarg++; if (iarg >= narg) error->all(FLERR,"expected additional arg after 'at' keyword."); @@ -997,18 +889,15 @@ int DumpNetCDF::modify_param(int narg, char **arg) else if (framei < 0) framei--; iarg++; return 2; - } - else if (strcmp(arg[iarg],"thermo") == 0) { + } else if (strcmp(arg[iarg],"thermo") == 0) { iarg++; if (iarg >= narg) error->all(FLERR,"expected 'yes' or 'no' after 'thermo' keyword."); if (strcmp(arg[iarg],"yes") == 0) { thermo = true; - } - else if (strcmp(arg[iarg],"no") == 0) { + } else if (strcmp(arg[iarg],"no") == 0) { thermo = false; - } - else error->all(FLERR,"expected 'yes' or 'no' after 'thermo' keyword."); + } else error->all(FLERR,"expected 'yes' or 'no' after 'thermo' keyword."); iarg++; return 2; } else return 0; @@ -1019,16 +908,10 @@ int DumpNetCDF::modify_param(int narg, char **arg) void DumpNetCDF::ncerr(int err, const char *descr, int line) { if (err != NC_NOERR) { - char errstr[1024]; - if (descr) { - sprintf(errstr, "NetCDF failed with error '%s' (while accessing '%s') " - " in line %i of %s.", nc_strerror(err), descr, line, __FILE__); - } - else { - sprintf(errstr, "NetCDF failed with error '%s' in line %i of %s.", - nc_strerror(err), line, __FILE__); - } - error->one(FLERR,errstr); + if (descr) error->one(FLERR,"NetCDF failed with error '{}' (while accessing '{}') " + " in line {} of {}.", nc_strerror(err), descr, line, __FILE__); + else error->one(FLERR,"NetCDF failed with error '{}' in line {} of {}.", + nc_strerror(err), line, __FILE__); } } diff --git a/src/NETCDF/dump_netcdf_mpiio.cpp b/src/NETCDF/dump_netcdf_mpiio.cpp index bf5b1a26ca..4179b362c8 100644 --- a/src/NETCDF/dump_netcdf_mpiio.cpp +++ b/src/NETCDF/dump_netcdf_mpiio.cpp @@ -18,53 +18,52 @@ #if defined(LMP_HAS_PNETCDF) -#include -#include #include "dump_netcdf_mpiio.h" + #include "atom.h" #include "comm.h" #include "compute.h" #include "domain.h" #include "error.h" #include "fix.h" +#include "force.h" #include "group.h" #include "input.h" #include "math_const.h" #include "memory.h" #include "modify.h" -#include "update.h" -#include "universe.h" -#include "variable.h" -#include "force.h" #include "output.h" #include "thermo.h" +#include "universe.h" +#include "update.h" +#include "variable.h" + +#include +#include using namespace LAMMPS_NS; using namespace MathConst; -enum{THERMO_INT,THERMO_FLOAT,THERMO_BIGINT}; // same as in thermo.cpp -enum{DUMP_INT,DUMP_DOUBLE,DUMP_STRING,DUMP_BIGINT}; // same as in DumpCFG +static const char NC_FRAME_STR[] = "frame"; +static const char NC_SPATIAL_STR[] = "spatial"; +static const char NC_VOIGT_STR[] = "Voigt"; +static const char NC_ATOM_STR[] = "atom"; +static const char NC_CELL_SPATIAL_STR[] = "cell_spatial"; +static const char NC_CELL_ANGULAR_STR[] = "cell_angular"; +static const char NC_LABEL_STR[] = "label"; -const char NC_FRAME_STR[] = "frame"; -const char NC_SPATIAL_STR[] = "spatial"; -const char NC_VOIGT_STR[] = "Voigt"; -const char NC_ATOM_STR[] = "atom"; -const char NC_CELL_SPATIAL_STR[] = "cell_spatial"; -const char NC_CELL_ANGULAR_STR[] = "cell_angular"; -const char NC_LABEL_STR[] = "label"; +static const char NC_TIME_STR[] = "time"; +static const char NC_CELL_ORIGIN_STR[] = "cell_origin"; +static const char NC_CELL_LENGTHS_STR[] = "cell_lengths"; +static const char NC_CELL_ANGLES_STR[] = "cell_angles"; -const char NC_TIME_STR[] = "time"; -const char NC_CELL_ORIGIN_STR[] = "cell_origin"; -const char NC_CELL_LENGTHS_STR[] = "cell_lengths"; -const char NC_CELL_ANGLES_STR[] = "cell_angles"; +static const char NC_UNITS_STR[] = "units"; +static const char NC_SCALE_FACTOR_STR[] = "scale_factor"; -const char NC_UNITS_STR[] = "units"; -const char NC_SCALE_FACTOR_STR[] = "scale_factor"; - -const int THIS_IS_A_FIX = -1; -const int THIS_IS_A_COMPUTE = -2; -const int THIS_IS_A_VARIABLE = -3; -const int THIS_IS_A_BIGINT = -4; +static constexpr int THIS_IS_A_FIX = -1; +static constexpr int THIS_IS_A_COMPUTE = -2; +static constexpr int THIS_IS_A_VARIABLE = -3; +static constexpr int THIS_IS_A_BIGINT = -4; /* ---------------------------------------------------------------------- */ @@ -98,77 +97,65 @@ DumpNetCDFMPIIO::DumpNetCDFMPIIO(LAMMPS *lmp, int narg, char **arg) : } n_perat = 0; - for (int iarg = 5; iarg < narg; iarg++) { - int i = iarg-5; + for (int i = 0; i < nfield; i++) { int idim = 0; int ndims = 1; - char mangled[1024]; - - strcpy(mangled, arg[iarg]); + std::string mangled = earg[i]; + bool constant = false; // name mangling // in the AMBER specification - if (!strcmp(mangled, "x") || !strcmp(mangled, "y") || - !strcmp(mangled, "z")) { + if ((mangled == "x") || (mangled == "y") || (mangled == "z")) { idim = mangled[0] - 'x'; ndims = 3; - strcpy(mangled, "coordinates"); - } - else if (!strcmp(mangled, "vx") || !strcmp(mangled, "vy") || - !strcmp(mangled, "vz")) { + mangled = "coordinates"; + } else if ((mangled == "vx") || (mangled == "vy") || (mangled == "vz")) { idim = mangled[1] - 'x'; ndims = 3; - strcpy(mangled, "velocities"); - } - else if (!strcmp(mangled, "xs") || !strcmp(mangled, "ys") || - !strcmp(mangled, "zs")) { + mangled = "velocities"; + } else if ((mangled == "xs") || (mangled == "ys") || (mangled == "zs")) { idim = mangled[0] - 'x'; ndims = 3; - strcpy(mangled, "scaled_coordinates"); - } - else if (!strcmp(mangled, "xu") || !strcmp(mangled, "yu") || - !strcmp(mangled, "zu")) { + mangled = "scaled_coordinates"; + } else if ((mangled == "xu") || (mangled == "yu") || (mangled == "zu")) { idim = mangled[0] - 'x'; ndims = 3; - strcpy(mangled, "unwrapped_coordinates"); - } - else if (!strcmp(mangled, "fx") || !strcmp(mangled, "fy") || - !strcmp(mangled, "fz")) { + mangled = "unwrapped_coordinates"; + } else if ((mangled == "fx") || (mangled == "fy") || (mangled == "fz")) { idim = mangled[1] - 'x'; ndims = 3; - strcpy(mangled, "forces"); - } - else if (!strcmp(mangled, "mux") || !strcmp(mangled, "muy") || - !strcmp(mangled, "muz")) { + mangled = "forces"; + } else if ((mangled == "mux") || (mangled == "muy") || (mangled == "muz")) { idim = mangled[2] - 'x'; ndims = 3; - strcpy(mangled, "mu"); - } - else if (!strncmp(mangled, "c_", 2)) { - char *ptr = strchr(mangled, '['); - if (ptr) { - if (mangled[strlen(mangled)-1] != ']') + mangled = "mu"; + } else if (utils::strmatch(mangled, "^c_")) { + std::size_t found = mangled.find('['); + if (found != std::string::npos) { + if (mangled.find(']',found) == std::string::npos) error->all(FLERR,"Missing ']' in dump command"); - *ptr = '\0'; - idim = ptr[1] - '1'; + idim = mangled[found+1] - '1'; + mangled = mangled.substr(0,found); ndims = THIS_IS_A_COMPUTE; } - } - else if (!strncmp(mangled, "f_", 2)) { - char *ptr = strchr(mangled, '['); - if (ptr) { - if (mangled[strlen(mangled)-1] != ']') + } else if (utils::strmatch(mangled, "^f_")) { + std::size_t found = mangled.find('['); + if (found != std::string::npos) { + if (mangled.find(']',found) == std::string::npos) error->all(FLERR,"Missing ']' in dump command"); - *ptr = '\0'; - idim = ptr[1] - '1'; + idim = mangled[found+1] - '1'; + mangled = mangled.substr(0,found); ndims = THIS_IS_A_FIX; } + } else if (utils::strmatch(mangled, "^v_")) { + idim = 0; + ndims = THIS_IS_A_VARIABLE; } // find mangled name int inc = -1; for (int j = 0; j < n_perat && inc < 0; j++) { - if (!strcmp(perat[j].name, mangled)) { + if (mangled == perat[j].name) { inc = j; } } @@ -181,7 +168,7 @@ DumpNetCDFMPIIO::DumpNetCDFMPIIO(LAMMPS *lmp, int narg, char **arg) : for (int j = 0; j < DUMP_NC_MPIIO_MAX_DIMS; j++) { perat[inc].field[j] = -1; } - strcpy(perat[inc].name, mangled); + strncpy(perat[inc].name, mangled.c_str(), NC_MPIIO_FIELD_NAME_MAX); n_perat++; } @@ -206,8 +193,8 @@ DumpNetCDFMPIIO::~DumpNetCDFMPIIO() { closefile(); - delete [] perat; - if (thermovar) delete [] thermovar; + delete[] perat; + if (thermovar) delete[] thermovar; if (int_buffer) memory->sfree(int_buffer); if (double_buffer) memory->sfree(double_buffer); @@ -236,7 +223,7 @@ void DumpNetCDFMPIIO::openfile() } if (thermo && !singlefile_opened) { - if (thermovar) delete [] thermovar; + if (thermovar) delete[] thermovar; thermovar = new int[output->thermo->nfield]; } @@ -257,8 +244,7 @@ void DumpNetCDFMPIIO::openfile() perat[i].dims = compute[j]->size_peratom_cols; if (perat[i].dims > DUMP_NC_MPIIO_MAX_DIMS) error->all(FLERR,"perat[i].dims > DUMP_NC_MPIIO_MAX_DIMS"); - } - else if (perat[i].dims == THIS_IS_A_FIX) { + } else if (perat[i].dims == THIS_IS_A_FIX) { int j = -1; for (int k = 0; k < DUMP_NC_MPIIO_MAX_DIMS; k++) { if (perat[i].field[k] >= 0) { @@ -272,6 +258,8 @@ void DumpNetCDFMPIIO::openfile() perat[i].dims = fix[j]->size_peratom_cols; if (perat[i].dims > DUMP_NC_MPIIO_MAX_DIMS) error->all(FLERR,"perat[i].dims > DUMP_NC_MPIIO_MAX_DIMS"); + } else if (perat[i].dims == THIS_IS_A_VARIABLE) { + error->all(FLERR,"Dump netcdf/mpiio currently does not support dumping variables"); } } @@ -285,8 +273,7 @@ void DumpNetCDFMPIIO::openfile() // Fixme! Perform checks if dimensions and variables conform with // data structure standard. if (not utils::file_is_readable(filecurrent)) - error->all(FLERR, "cannot append to non-existent file {}", - filecurrent); + error->all(FLERR, "cannot append to non-existent file {}", filecurrent); MPI_Offset index[NC_MAX_VAR_DIMS], count[NC_MAX_VAR_DIMS]; double d[1]; @@ -294,16 +281,13 @@ void DumpNetCDFMPIIO::openfile() if (singlefile_opened) return; singlefile_opened = 1; - NCERRX( ncmpi_open(world, filecurrent, NC_WRITE, MPI_INFO_NULL, - &ncid), filecurrent ); + NCERRX( ncmpi_open(world, filecurrent, NC_WRITE, MPI_INFO_NULL, &ncid), filecurrent ); // dimensions NCERRX( ncmpi_inq_dimid(ncid, NC_FRAME_STR, &frame_dim), NC_FRAME_STR ); NCERRX( ncmpi_inq_dimid(ncid, NC_ATOM_STR, &atom_dim), NC_ATOM_STR ); - NCERRX( ncmpi_inq_dimid(ncid, NC_CELL_SPATIAL_STR, &cell_spatial_dim), - NC_CELL_SPATIAL_STR ); - NCERRX( ncmpi_inq_dimid(ncid, NC_CELL_ANGULAR_STR, &cell_angular_dim), - NC_CELL_ANGULAR_STR ); + NCERRX( ncmpi_inq_dimid(ncid, NC_CELL_SPATIAL_STR, &cell_spatial_dim), NC_CELL_SPATIAL_STR ); + NCERRX( ncmpi_inq_dimid(ncid, NC_CELL_ANGULAR_STR, &cell_angular_dim), NC_CELL_ANGULAR_STR ); NCERRX( ncmpi_inq_dimid(ncid, NC_LABEL_STR, &label_dim), NC_LABEL_STR ); for (int i = 0; i < n_perat; i++) { @@ -312,48 +296,37 @@ void DumpNetCDFMPIIO::openfile() char dimstr[1024]; if (dims == 3) { strcpy(dimstr, NC_SPATIAL_STR); - } - else if (dims == 6) { + } else if (dims == 6) { strcpy(dimstr, NC_VOIGT_STR); - } - else { + } else { sprintf(dimstr, "vec%i", dims); } if (dims != 1) { - NCERRX( ncmpi_inq_dimid(ncid, dimstr, &vector_dim[dims]), - dimstr ); + NCERRX( ncmpi_inq_dimid(ncid, dimstr, &vector_dim[dims]), dimstr ); } } } // default variables - NCERRX( ncmpi_inq_varid(ncid, NC_SPATIAL_STR, &spatial_var), - NC_SPATIAL_STR ); - NCERRX( ncmpi_inq_varid(ncid, NC_CELL_SPATIAL_STR, &cell_spatial_var), - NC_CELL_SPATIAL_STR); - NCERRX( ncmpi_inq_varid(ncid, NC_CELL_ANGULAR_STR, &cell_angular_var), - NC_CELL_ANGULAR_STR); + NCERRX( ncmpi_inq_varid(ncid, NC_SPATIAL_STR, &spatial_var), NC_SPATIAL_STR ); + NCERRX( ncmpi_inq_varid(ncid, NC_CELL_SPATIAL_STR, &cell_spatial_var), NC_CELL_SPATIAL_STR); + NCERRX( ncmpi_inq_varid(ncid, NC_CELL_ANGULAR_STR, &cell_angular_var), NC_CELL_ANGULAR_STR); NCERRX( ncmpi_inq_varid(ncid, NC_TIME_STR, &time_var), NC_TIME_STR ); - NCERRX( ncmpi_inq_varid(ncid, NC_CELL_ORIGIN_STR, &cell_origin_var), - NC_CELL_ORIGIN_STR ); - NCERRX( ncmpi_inq_varid(ncid, NC_CELL_LENGTHS_STR, &cell_lengths_var), - NC_CELL_LENGTHS_STR); - NCERRX( ncmpi_inq_varid(ncid, NC_CELL_ANGLES_STR, &cell_angles_var), - NC_CELL_ANGLES_STR); + NCERRX( ncmpi_inq_varid(ncid, NC_CELL_ORIGIN_STR, &cell_origin_var), NC_CELL_ORIGIN_STR ); + NCERRX( ncmpi_inq_varid(ncid, NC_CELL_LENGTHS_STR, &cell_lengths_var), NC_CELL_LENGTHS_STR); + NCERRX( ncmpi_inq_varid(ncid, NC_CELL_ANGLES_STR, &cell_angles_var), NC_CELL_ANGLES_STR); // variables specified in the input file for (int i = 0; i < n_perat; i++) { - NCERRX( ncmpi_inq_varid(ncid, perat[i].name, &perat[i].var), - perat[i].name ); + NCERRX( ncmpi_inq_varid(ncid, perat[i].name, &perat[i].var), perat[i].name ); } // perframe variables if (thermo) { Thermo *th = output->thermo; for (int i = 0; i < th->nfield; i++) { - NCERRX( ncmpi_inq_varid(ncid, th->keyword[i], &thermovar[i]), - th->keyword[i] ); + NCERRX( ncmpi_inq_varid(ncid, th->keyword[i], &thermovar[i]), th->keyword[i] ); } } @@ -374,20 +347,14 @@ void DumpNetCDFMPIIO::openfile() if (singlefile_opened) return; singlefile_opened = 1; - NCERRX( ncmpi_create(world, filecurrent, NC_64BIT_DATA, - MPI_INFO_NULL, &ncid), filecurrent ); + NCERRX( ncmpi_create(world, filecurrent, NC_64BIT_DATA, MPI_INFO_NULL, &ncid), filecurrent ); // dimensions - NCERRX( ncmpi_def_dim(ncid, NC_FRAME_STR, NC_UNLIMITED, &frame_dim), - NC_FRAME_STR ); - NCERRX( ncmpi_def_dim(ncid, NC_ATOM_STR, ntotalgr, &atom_dim), - NC_ATOM_STR ); - NCERRX( ncmpi_def_dim(ncid, NC_CELL_SPATIAL_STR, 3, &cell_spatial_dim), - NC_CELL_SPATIAL_STR ); - NCERRX( ncmpi_def_dim(ncid, NC_CELL_ANGULAR_STR, 3, &cell_angular_dim), - NC_CELL_ANGULAR_STR ); - NCERRX( ncmpi_def_dim(ncid, NC_LABEL_STR, 10, &label_dim), - NC_LABEL_STR ); + NCERRX( ncmpi_def_dim(ncid, NC_FRAME_STR, NC_UNLIMITED, &frame_dim), NC_FRAME_STR ); + NCERRX( ncmpi_def_dim(ncid, NC_ATOM_STR, ntotalgr, &atom_dim), NC_ATOM_STR ); + NCERRX( ncmpi_def_dim(ncid, NC_CELL_SPATIAL_STR, 3, &cell_spatial_dim), NC_CELL_SPATIAL_STR ); + NCERRX( ncmpi_def_dim(ncid, NC_CELL_ANGULAR_STR, 3, &cell_angular_dim), NC_CELL_ANGULAR_STR ); + NCERRX( ncmpi_def_dim(ncid, NC_LABEL_STR, 10, &label_dim), NC_LABEL_STR ); for (int i = 0; i < n_perat; i++) { int dims = perat[i].dims; @@ -395,44 +362,34 @@ void DumpNetCDFMPIIO::openfile() char dimstr[1024]; if (dims == 3) { strcpy(dimstr, NC_SPATIAL_STR); - } - else if (dims == 6) { + } else if (dims == 6) { strcpy(dimstr, NC_VOIGT_STR); - } - else { + } else { sprintf(dimstr, "vec%i", dims); } if (dims != 1) { - NCERRX( ncmpi_def_dim(ncid, dimstr, dims, &vector_dim[dims]), - dimstr ); + NCERRX( ncmpi_def_dim(ncid, dimstr, dims, &vector_dim[dims]), dimstr ); } } } // default variables dims[0] = vector_dim[3]; - NCERRX( ncmpi_def_var(ncid, NC_SPATIAL_STR, NC_CHAR, 1, dims, &spatial_var), - NC_SPATIAL_STR ); - NCERRX( ncmpi_def_var(ncid, NC_CELL_SPATIAL_STR, NC_CHAR, 1, dims, - &cell_spatial_var), NC_CELL_SPATIAL_STR ); + NCERRX( ncmpi_def_var(ncid, NC_SPATIAL_STR, NC_CHAR, 1, dims, &spatial_var), NC_SPATIAL_STR ); + NCERRX( ncmpi_def_var(ncid, NC_CELL_SPATIAL_STR, NC_CHAR, 1, dims, &cell_spatial_var), NC_CELL_SPATIAL_STR ); dims[0] = vector_dim[3]; dims[1] = label_dim; - NCERRX( ncmpi_def_var(ncid, NC_CELL_ANGULAR_STR, NC_CHAR, 2, dims, - &cell_angular_var), NC_CELL_ANGULAR_STR ); + NCERRX( ncmpi_def_var(ncid, NC_CELL_ANGULAR_STR, NC_CHAR, 2, dims, &cell_angular_var), NC_CELL_ANGULAR_STR ); dims[0] = frame_dim; - NCERRX( ncmpi_def_var(ncid, NC_TIME_STR, NC_DOUBLE, 1, dims, &time_var), - NC_TIME_STR); + NCERRX( ncmpi_def_var(ncid, NC_TIME_STR, NC_DOUBLE, 1, dims, &time_var), NC_TIME_STR); dims[0] = frame_dim; dims[1] = cell_spatial_dim; - NCERRX( ncmpi_def_var(ncid, NC_CELL_ORIGIN_STR, NC_DOUBLE, 2, dims, - &cell_origin_var), NC_CELL_ORIGIN_STR ); - NCERRX( ncmpi_def_var(ncid, NC_CELL_LENGTHS_STR, NC_DOUBLE, 2, dims, - &cell_lengths_var), NC_CELL_LENGTHS_STR ); + NCERRX( ncmpi_def_var(ncid, NC_CELL_ORIGIN_STR, NC_DOUBLE, 2, dims, &cell_origin_var), NC_CELL_ORIGIN_STR ); + NCERRX( ncmpi_def_var(ncid, NC_CELL_LENGTHS_STR, NC_DOUBLE, 2, dims, &cell_lengths_var), NC_CELL_LENGTHS_STR ); dims[0] = frame_dim; dims[1] = cell_angular_dim; - NCERRX( ncmpi_def_var(ncid, NC_CELL_ANGLES_STR, NC_DOUBLE, 2, dims, - &cell_angles_var), NC_CELL_ANGLES_STR ); + NCERRX( ncmpi_def_var(ncid, NC_CELL_ANGLES_STR, NC_DOUBLE, 2, dims, &cell_angles_var), NC_CELL_ANGLES_STR ); // variables specified in the input file dims[0] = frame_dim; @@ -443,9 +400,9 @@ void DumpNetCDFMPIIO::openfile() nc_type xtype; // Type mangling - if (vtype[perat[i].field[0]] == DUMP_INT) { + if (vtype[perat[i].field[0]] == Dump::INT) { xtype = NC_INT; - } else if (vtype[perat[i].field[0]] == DUMP_BIGINT) { + } else if (vtype[perat[i].field[0]] == Dump::BIGINT) { xtype = NC_INT64; } else { if (double_precision) @@ -455,14 +412,11 @@ void DumpNetCDFMPIIO::openfile() } if (perat[i].dims == 1) { - NCERRX( ncmpi_def_var(ncid, perat[i].name, xtype, 2, dims, - &perat[i].var), perat[i].name ); - } - else { + NCERRX( ncmpi_def_var(ncid, perat[i].name, xtype, 2, dims, &perat[i].var), perat[i].name ); + } else { // this is a vector dims[2] = vector_dim[perat[i].dims]; - NCERRX( ncmpi_def_var(ncid, perat[i].name, xtype, 3, dims, - &perat[i].var), perat[i].name ); + NCERRX( ncmpi_def_var(ncid, perat[i].name, xtype, 3, dims, &perat[i].var), perat[i].name ); } } @@ -470,104 +424,64 @@ void DumpNetCDFMPIIO::openfile() if (thermo) { Thermo *th = output->thermo; for (int i = 0; i < th->nfield; i++) { - if (th->vtype[i] == THERMO_FLOAT) { - NCERRX( ncmpi_def_var(ncid, th->keyword[i], NC_DOUBLE, 1, dims, - &thermovar[i]), th->keyword[i] ); - } - else if (th->vtype[i] == THERMO_INT) { - NCERRX( ncmpi_def_var(ncid, th->keyword[i], NC_INT, 1, dims, - &thermovar[i]), th->keyword[i] ); - } - else if (th->vtype[i] == THERMO_BIGINT) { + if (th->vtype[i] == Thermo::FLOAT) { + NCERRX( ncmpi_def_var(ncid, th->keyword[i], NC_DOUBLE, 1, dims, &thermovar[i]), th->keyword[i] ); + } else if (th->vtype[i] == Thermo::INT) { + NCERRX( ncmpi_def_var(ncid, th->keyword[i], NC_INT, 1, dims, &thermovar[i]), th->keyword[i] ); + } else if (th->vtype[i] == Thermo::BIGINT) { #if defined(LAMMPS_SMALLBIG) || defined(LAMMPS_BIGBIG) - NCERRX( ncmpi_def_var(ncid, th->keyword[i], NC_INT64, 1, dims, - &thermovar[i]), th->keyword[i] ); + NCERRX( ncmpi_def_var(ncid, th->keyword[i], NC_INT64, 1, dims, &thermovar[i]), th->keyword[i] ); #else - NCERRX( ncmpi_def_var(ncid, th->keyword[i], NC_LONG, 1, dims, - &thermovar[i]), th->keyword[i] ); + NCERRX( ncmpi_def_var(ncid, th->keyword[i], NC_LONG, 1, dims, &thermovar[i]), th->keyword[i] ); #endif } } } // attributes - NCERR( ncmpi_put_att_text(ncid, NC_GLOBAL, "Conventions", - 5, "AMBER") ); - NCERR( ncmpi_put_att_text(ncid, NC_GLOBAL, "ConventionVersion", - 3, "1.0") ); + NCERR( ncmpi_put_att_text(ncid, NC_GLOBAL, "Conventions", 5, "AMBER") ); + NCERR( ncmpi_put_att_text(ncid, NC_GLOBAL, "ConventionVersion", 3, "1.0") ); - NCERR( ncmpi_put_att_text(ncid, NC_GLOBAL, "program", - 6, "LAMMPS") ); - NCERR( ncmpi_put_att_text(ncid, NC_GLOBAL, "programVersion", - strlen(lmp->version), lmp->version) ); + NCERR( ncmpi_put_att_text(ncid, NC_GLOBAL, "program", 6, "LAMMPS") ); + NCERR( ncmpi_put_att_text(ncid, NC_GLOBAL, "programVersion", strlen(lmp->version), lmp->version) ); // units if (!strcmp(update->unit_style, "lj")) { - NCERR( ncmpi_put_att_text(ncid, time_var, NC_UNITS_STR, - 2, "lj") ); - NCERR( ncmpi_put_att_text(ncid, cell_origin_var, NC_UNITS_STR, - 2, "lj") ); - NCERR( ncmpi_put_att_text(ncid, cell_lengths_var, NC_UNITS_STR, - 2, "lj") ); - } - else if (!strcmp(update->unit_style, "real")) { - NCERR( ncmpi_put_att_text(ncid, time_var, NC_UNITS_STR, - 11, "femtosecond") ); - NCERR( ncmpi_put_att_text(ncid, cell_origin_var, NC_UNITS_STR, - 8, "Angstrom") ); - NCERR( ncmpi_put_att_text(ncid, cell_lengths_var, NC_UNITS_STR, - 8, "Angstrom") ); - } - else if (!strcmp(update->unit_style, "metal")) { - NCERR( ncmpi_put_att_text(ncid, time_var, NC_UNITS_STR, - 10, "picosecond") ); - NCERR( ncmpi_put_att_text(ncid, cell_origin_var, NC_UNITS_STR, - 8, "Angstrom") ); - NCERR( ncmpi_put_att_text(ncid, cell_lengths_var, NC_UNITS_STR, - 8, "Angstrom") ); - } - else if (!strcmp(update->unit_style, "si")) { - NCERR( ncmpi_put_att_text(ncid, time_var, NC_UNITS_STR, - 6, "second") ); - NCERR( ncmpi_put_att_text(ncid, cell_origin_var, NC_UNITS_STR, - 5, "meter") ); - NCERR( ncmpi_put_att_text(ncid, cell_lengths_var, NC_UNITS_STR, - 5, "meter") ); - } - else if (!strcmp(update->unit_style, "cgs")) { - NCERR( ncmpi_put_att_text(ncid, time_var, NC_UNITS_STR, - 6, "second") ); - NCERR( ncmpi_put_att_text(ncid, cell_origin_var, NC_UNITS_STR, - 10, "centimeter") ); - NCERR( ncmpi_put_att_text(ncid, cell_lengths_var, NC_UNITS_STR, - 10, "centimeter") ); - } - else if (!strcmp(update->unit_style, "electron")) { - NCERR( ncmpi_put_att_text(ncid, time_var, NC_UNITS_STR, - 11, "femtosecond") ); - NCERR( ncmpi_put_att_text(ncid, cell_origin_var, NC_UNITS_STR, - 4, "Bohr") ); - NCERR( ncmpi_put_att_text(ncid, cell_lengths_var, NC_UNITS_STR, - 4, "Bohr") ); - } - else { - char errstr[1024]; - sprintf(errstr, "Unsupported unit style '%s'", update->unit_style); - error->all(FLERR,errstr); + NCERR( ncmpi_put_att_text(ncid, time_var, NC_UNITS_STR, 2, "lj") ); + NCERR( ncmpi_put_att_text(ncid, cell_origin_var, NC_UNITS_STR, 2, "lj") ); + NCERR( ncmpi_put_att_text(ncid, cell_lengths_var, NC_UNITS_STR, 2, "lj") ); + } else if (!strcmp(update->unit_style, "real")) { + NCERR( ncmpi_put_att_text(ncid, time_var, NC_UNITS_STR, 11, "femtosecond") ); + NCERR( ncmpi_put_att_text(ncid, cell_origin_var, NC_UNITS_STR, 8, "Angstrom") ); + NCERR( ncmpi_put_att_text(ncid, cell_lengths_var, NC_UNITS_STR, 8, "Angstrom") ); + } else if (!strcmp(update->unit_style, "metal")) { + NCERR( ncmpi_put_att_text(ncid, time_var, NC_UNITS_STR, 10, "picosecond") ); + NCERR( ncmpi_put_att_text(ncid, cell_origin_var, NC_UNITS_STR, 8, "Angstrom") ); + NCERR( ncmpi_put_att_text(ncid, cell_lengths_var, NC_UNITS_STR, 8, "Angstrom") ); + } else if (!strcmp(update->unit_style, "si")) { + NCERR( ncmpi_put_att_text(ncid, time_var, NC_UNITS_STR, 6, "second") ); + NCERR( ncmpi_put_att_text(ncid, cell_origin_var, NC_UNITS_STR, 5, "meter") ); + NCERR( ncmpi_put_att_text(ncid, cell_lengths_var, NC_UNITS_STR, 5, "meter") ); + } else if (!strcmp(update->unit_style, "cgs")) { + NCERR( ncmpi_put_att_text(ncid, time_var, NC_UNITS_STR, 6, "second") ); + NCERR( ncmpi_put_att_text(ncid, cell_origin_var, NC_UNITS_STR, 10, "centimeter") ); + NCERR( ncmpi_put_att_text(ncid, cell_lengths_var, NC_UNITS_STR, 10, "centimeter") ); + } else if (!strcmp(update->unit_style, "electron")) { + NCERR( ncmpi_put_att_text(ncid, time_var, NC_UNITS_STR, 11, "femtosecond") ); + NCERR( ncmpi_put_att_text(ncid, cell_origin_var, NC_UNITS_STR, 4, "Bohr") ); + NCERR( ncmpi_put_att_text(ncid, cell_lengths_var, NC_UNITS_STR, 4, "Bohr") ); + } else { + error->all(FLERR,"Unsupported unit style: {}", update->unit_style); } - NCERR( ncmpi_put_att_text(ncid, cell_angles_var, NC_UNITS_STR, - 6, "degree") ); + NCERR( ncmpi_put_att_text(ncid, cell_angles_var, NC_UNITS_STR, 6, "degree") ); d[0] = update->dt; - NCERR( ncmpi_put_att_double(ncid, time_var, NC_SCALE_FACTOR_STR, - NC_DOUBLE, 1, d) ); + NCERR( ncmpi_put_att_double(ncid, time_var, NC_SCALE_FACTOR_STR, NC_DOUBLE, 1, d) ); d[0] = 1.0; - NCERR( ncmpi_put_att_double(ncid, cell_origin_var, NC_SCALE_FACTOR_STR, - NC_DOUBLE, 1, d) ); + NCERR( ncmpi_put_att_double(ncid, cell_origin_var, NC_SCALE_FACTOR_STR, NC_DOUBLE, 1, d) ); d[0] = 1.0; - NCERR( ncmpi_put_att_double(ncid, cell_lengths_var, NC_SCALE_FACTOR_STR, - NC_DOUBLE, 1, d) ); + NCERR( ncmpi_put_att_double(ncid, cell_lengths_var, NC_SCALE_FACTOR_STR, NC_DOUBLE, 1, d) ); /* * Finished with definition @@ -628,23 +542,21 @@ void DumpNetCDFMPIIO::closefile() /* ---------------------------------------------------------------------- */ template -int ncmpi_put_var1_bigint(int ncid, int varid, const MPI_Offset index[], - const T* tp) +int ncmpi_put_var1_bigint(int ncid, int varid, const MPI_Offset index[], const T* tp) { return ncmpi_put_var1_int(ncid, varid, index, tp); } template <> -int ncmpi_put_var1_bigint(int ncid, int varid, const MPI_Offset index[], - const long* tp) +int ncmpi_put_var1_bigint(int ncid, int varid, + const MPI_Offset index[], const long* tp) { return ncmpi_put_var1_long(ncid, varid, index, tp); } template <> int ncmpi_put_var1_bigint(int ncid, int varid, - const MPI_Offset index[], - const long long* tp) + const MPI_Offset index[], const long long* tp) { return ncmpi_put_var1_longlong(ncid, varid, index, tp); } @@ -657,45 +569,36 @@ int ncmpi_put_vara_bigint_all(int ncid, int varid, const MPI_Offset start[], } template <> -int ncmpi_put_vara_bigint_all(int ncid, int varid, - const MPI_Offset start[], +int ncmpi_put_vara_bigint_all(int ncid, int varid, const MPI_Offset start[], const MPI_Offset count[], const long* tp) { return ncmpi_put_vara_long_all(ncid, varid, start, count, tp); } template <> -int ncmpi_put_vara_bigint_all(int ncid, int varid, - const MPI_Offset start[], - const MPI_Offset count[], - const long long* tp) +int ncmpi_put_vara_bigint_all(int ncid, int varid, const MPI_Offset start[], + const MPI_Offset count[], const long long* tp) { return ncmpi_put_vara_longlong_all(ncid, varid, start, count, tp); } template int ncmpi_put_vars_bigint_all(int ncid, int varid, const MPI_Offset start[], - const MPI_Offset count[], - const MPI_Offset stride[], const T* tp) + const MPI_Offset count[], const MPI_Offset stride[], const T* tp) { return ncmpi_put_vars_int_all(ncid, varid, start, count, stride, tp); } template <> -int ncmpi_put_vars_bigint_all(int ncid, int varid, - const MPI_Offset start[], - const MPI_Offset count[], +int ncmpi_put_vars_bigint_all(int ncid, int varid, const MPI_Offset start[], const MPI_Offset count[], const MPI_Offset stride[], const long* tp) { return ncmpi_put_vars_long_all(ncid, varid, start, count, stride, tp); } template <> -int ncmpi_put_vars_bigint_all(int ncid, int varid, - const MPI_Offset start[], - const MPI_Offset count[], - const MPI_Offset stride[], - const long long* tp) +int ncmpi_put_vars_bigint_all(int ncid, int varid, const MPI_Offset start[], const MPI_Offset count[], + const MPI_Offset stride[], const long long* tp) { return ncmpi_put_vars_longlong_all(ncid, varid, start, count, stride, tp); } @@ -723,16 +626,14 @@ void DumpNetCDFMPIIO::write() for (int i = 0; i < th->nfield; i++) { th->call_vfunc(i); if (filewriter) { - if (th->vtype[i] == THERMO_FLOAT) { + if (th->vtype[i] == Thermo::FLOAT) { NCERRX( ncmpi_put_var1_double(ncid, thermovar[i], start, &th->dvalue), th->keyword[i] ); - } - else if (th->vtype[i] == THERMO_INT) { + } else if (th->vtype[i] == Thermo::INT) { NCERRX( ncmpi_put_var1_int(ncid, thermovar[i], start, &th->ivalue), th->keyword[i] ); - } - else if (th->vtype[i] == THERMO_BIGINT) { + } else if (th->vtype[i] == Thermo::BIGINT) { NCERRX( ncmpi_put_var1_bigint(ncid, thermovar[i], start, &th->bivalue), th->keyword[i] ); } @@ -753,7 +654,7 @@ void DumpNetCDFMPIIO::write() MPI_Allgather(&nme, 1, MPI_INT, block_sizes, 1, MPI_INT, world); blocki = 0; for (int i = 0; i < comm->me; i++) blocki += block_sizes[i]; - delete [] block_sizes; + delete[] block_sizes; // insure buf is sized for packing and communicating // use nme to insure filewriter proc can receive info from others @@ -805,8 +706,7 @@ void DumpNetCDFMPIIO::write_time_and_cell() cell_angles[0] = 90; cell_angles[1] = 90; cell_angles[2] = 90; - } - else { + } else { double cosalpha, cosbeta, cosgamma; double *h = domain->h; @@ -839,12 +739,9 @@ void DumpNetCDFMPIIO::write_time_and_cell() count[1] = 3; if (filewriter) { NCERR( ncmpi_put_var1_double(ncid, time_var, start, &time) ); - NCERR( ncmpi_put_vara_double(ncid, cell_origin_var, start, count, - cell_origin) ); - NCERR( ncmpi_put_vara_double(ncid, cell_lengths_var, start, count, - cell_lengths) ); - NCERR( ncmpi_put_vara_double(ncid, cell_angles_var, start, count, - cell_angles) ); + NCERR( ncmpi_put_vara_double(ncid, cell_origin_var, start, count, cell_origin) ); + NCERR( ncmpi_put_vara_double(ncid, cell_lengths_var, start, count, cell_lengths) ); + NCERR( ncmpi_put_vara_double(ncid, cell_angles_var, start, count, cell_angles) ); } } @@ -872,8 +769,7 @@ void DumpNetCDFMPIIO::write_data(int n, double *mybuf) int_buffer = (bigint *) memory->srealloc(int_buffer, n_buffer*sizeof(bigint),"dump::int_buffer"); double_buffer = (double *) - memory->srealloc(double_buffer, n_buffer*sizeof(double), - "dump::double_buffer"); + memory->srealloc(double_buffer, n_buffer*sizeof(double), "dump::double_buffer"); } start[0] = framei-1; @@ -896,14 +792,10 @@ void DumpNetCDFMPIIO::write_data(int n, double *mybuf) for (int i = 0; i < n_perat; i++) { int iaux = perat[i].field[0]; - if (iaux < 0 || iaux >= size_one) { - char errmsg[1024]; - sprintf(errmsg, "Internal error: name = %s, iaux = %i, " - "size_one = %i", perat[i].name, iaux, size_one); - error->one(FLERR,errmsg); - } + if (iaux < 0 || iaux >= size_one) + error->one(FLERR, "Internal error: name = {}, iaux = {}, size_one = {}", perat[i].name, iaux, size_one); - if (vtype[iaux] == DUMP_INT || vtype[iaux] == DUMP_BIGINT) { + if (vtype[iaux] == Dump::INT || vtype[iaux] == Dump::BIGINT) { // integers if (perat[i].dims > 1) { @@ -911,41 +803,31 @@ void DumpNetCDFMPIIO::write_data(int n, double *mybuf) iaux = perat[i].field[idim]; if (iaux >= 0) { - if (iaux >= size_one) { - char errmsg[1024]; - sprintf(errmsg, "Internal error: name = %s, iaux = %i, " - "size_one = %i", perat[i].name, iaux, size_one); - error->one(FLERR,errmsg); - } + if (iaux >= size_one) + error->one(FLERR, "Internal error: name = {}, iaux = {}, size_one = {}", perat[i].name, iaux, size_one); - if (vtype[iaux] == DUMP_INT) { + if (vtype[iaux] == Dump::INT) { for (int j = 0; j < n; j++, iaux+=size_one) { int_buffer[j] = static_cast(mybuf[iaux]); } - } - else { // DUMP_BIGINT + } else { // Dump::BIGINT for (int j = 0; j < n; j++, iaux+=size_one) { int_buffer[j] = static_cast(mybuf[iaux]); } } start[2] = idim; - NCERRX( ncmpi_put_vars_bigint_all(ncid, perat[i].var, start, count, - stride, int_buffer), - perat[i].name ); + NCERRX( ncmpi_put_vars_bigint_all(ncid, perat[i].var, start, count,stride, int_buffer), perat[i].name ); } } - } - else { + } else { for (int j = 0; j < n; j++, iaux+=size_one) { int_buffer[j] = mybuf[iaux]; } - NCERRX( ncmpi_put_vara_bigint_all(ncid, perat[i].var, start, count, - int_buffer), perat[i].name ); + NCERRX( ncmpi_put_vara_bigint_all(ncid, perat[i].var, start, count, int_buffer), perat[i].name ); } - } - else { + } else { // doubles if (perat[i].dims > 1) { @@ -953,12 +835,8 @@ void DumpNetCDFMPIIO::write_data(int n, double *mybuf) iaux = perat[i].field[idim]; if (iaux >= 0) { - if (iaux >= size_one) { - char errmsg[1024]; - sprintf(errmsg, "Internal error: name = %s, iaux = %i, " - "size_one = %i", perat[i].name, iaux, size_one); - error->one(FLERR,errmsg); - } + if (iaux >= size_one) + error->one(FLERR, "Internal error: name = {}, iaux = {}, size_one = {}", perat[i].name, iaux, size_one); for (int j = 0; j < n; j++, iaux+=size_one) { double_buffer[j] = mybuf[iaux]; @@ -969,8 +847,7 @@ void DumpNetCDFMPIIO::write_data(int n, double *mybuf) stride, double_buffer), perat[i].name ); } } - } - else { + } else { for (int j = 0; j < n; j++, iaux+=size_one) { double_buffer[j] = mybuf[iaux]; } @@ -993,15 +870,12 @@ int DumpNetCDFMPIIO::modify_param(int narg, char **arg) error->all(FLERR,"expected 'yes' or 'no' after 'double' keyword."); if (strcmp(arg[iarg],"yes") == 0) { double_precision = true; - } - else if (strcmp(arg[iarg],"no") == 0) { + } else if (strcmp(arg[iarg],"no") == 0) { double_precision = false; - } - else error->all(FLERR,"expected 'yes' or 'no' after 'double' keyword."); + } else error->all(FLERR,"expected 'yes' or 'no' after 'double' keyword."); iarg++; return 2; - } - else if (strcmp(arg[iarg],"at") == 0) { + } else if (strcmp(arg[iarg],"at") == 0) { iarg++; if (iarg >= narg) error->all(FLERR,"expected additional arg after 'at' keyword."); @@ -1010,18 +884,15 @@ int DumpNetCDFMPIIO::modify_param(int narg, char **arg) else if (framei < 0) framei--; iarg++; return 2; - } - else if (strcmp(arg[iarg],"thermo") == 0) { + } else if (strcmp(arg[iarg],"thermo") == 0) { iarg++; if (iarg >= narg) error->all(FLERR,"expected 'yes' or 'no' after 'thermo' keyword."); if (strcmp(arg[iarg],"yes") == 0) { thermo = true; - } - else if (strcmp(arg[iarg],"no") == 0) { + } else if (strcmp(arg[iarg],"no") == 0) { thermo = false; - } - else error->all(FLERR,"expected 'yes' or 'no' after 'thermo' keyword."); + } else error->all(FLERR,"expected 'yes' or 'no' after 'thermo' keyword."); iarg++; return 2; } else return 0; @@ -1032,16 +903,10 @@ int DumpNetCDFMPIIO::modify_param(int narg, char **arg) void DumpNetCDFMPIIO::ncerr(int err, const char *descr, int line) { if (err != NC_NOERR) { - char errstr[1024]; - if (descr) { - sprintf(errstr, "NetCDF failed with error '%s' (while accessing '%s') " - " in line %i of %s.", ncmpi_strerror(err), descr, line, __FILE__); - } - else { - sprintf(errstr, "NetCDF failed with error '%s' in line %i of %s.", - ncmpi_strerror(err), line, __FILE__); - } - error->one(FLERR,errstr); + if (descr) error->one(FLERR,"NetCDF failed with error '{}' (while accessing '{}') " + " in line {} of {}.", ncmpi_strerror(err), descr, line, __FILE__); + else error->one(FLERR,"NetCDF failed with error '{}' in line {} of {}.", + ncmpi_strerror(err), line, __FILE__); } } diff --git a/src/TALLY/compute_heat_flux_virial_tally.cpp b/src/TALLY/compute_heat_flux_virial_tally.cpp new file mode 100644 index 0000000000..1a594c1b36 --- /dev/null +++ b/src/TALLY/compute_heat_flux_virial_tally.cpp @@ -0,0 +1,238 @@ +/* ---------------------------------------------------------------------- + LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator + https://www.lammps.org/, Sandia National Laboratories + Steve Plimpton, sjplimp@sandia.gov + + Copyright (2003) Sandia Corporation. Under the terms of Contract + DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains + certain rights in this software. This software is distributed under + the GNU General Public License. + + See the README file in the top-level LAMMPS directory. +------------------------------------------------------------------------- */ + +#include "compute_heat_flux_virial_tally.h" + +#include "atom.h" +#include "comm.h" +#include "error.h" +#include "force.h" +#include "group.h" +#include "memory.h" +#include "pair.h" +#include "update.h" + +#include + +using namespace LAMMPS_NS; + +/* ---------------------------------------------------------------------- */ + +ComputeHeatFluxVirialTally::ComputeHeatFluxVirialTally(LAMMPS *lmp, int narg, char **arg) : + Compute(lmp, narg, arg) +{ + if (narg < 4) error->all(FLERR, "Illegal compute heat/flux/virial/tally command"); + + igroup2 = group->find(arg[3]); + if (igroup2 == -1) + error->all(FLERR, "Could not find compute heat/flux/virial/tally second group ID"); + groupbit2 = group->bitmask[igroup2]; + + scalar_flag = 1; + vector_flag = 0; + peratom_flag = 1; + timeflag = 1; + dynamic_group_allow = 0; + + comm_reverse = size_peratom_cols = 3; + extscalar = 1; + peflag = 1; // we need Pair::ev_tally() to be run + + did_setup = invoked_peratom = invoked_scalar = -1; + nmax = -1; + fatom = nullptr; +} + +/* ---------------------------------------------------------------------- */ + +ComputeHeatFluxVirialTally::~ComputeHeatFluxVirialTally() +{ + if (force && force->pair) force->pair->del_tally_callback(this); + memory->destroy(fatom); +} + +/* ---------------------------------------------------------------------- */ + +void ComputeHeatFluxVirialTally::init() +{ + if (force->pair == nullptr) + error->all(FLERR, "Trying to use compute heat/flux/virial/tally without pair style"); + else + force->pair->add_tally_callback(this); + + if (comm->me == 0) { + if (force->pair->single_enable == 0 || force->pair->manybody_flag) + error->warning(FLERR, "Compute heat/flux/virial/tally used with incompatible pair style"); + + if (force->bond || force->angle || force->dihedral || force->improper || force->kspace) + error->warning(FLERR, "Compute heat/flux/virial/tally only called from pair style"); + } + + // error out if any atoms are in both groups + for (int i = 0; i < atom->nlocal; i++) { + if ((atom->mask[i] & groupbit) && (atom->mask[i] & groupbit2)) { + if (atom->tag_enable) { + error->all(FLERR, + "Atom {} belonging to both groups is not allowed" + " with compute heat/flux/virial/tally", + atom->tag[i]); + } else { + error->all(FLERR, + "Atom belonging to both groups is not allowed" + " with compute heat/flux/virial/tally"); + } + } + } + + did_setup = -1; +} + +/* ---------------------------------------------------------------------- */ + +void ComputeHeatFluxVirialTally::pair_setup_callback(int, int) +{ + // run setup only once per time step. + // we may be called from multiple pair styles + + if (did_setup == update->ntimestep) return; + + const int ntotal = atom->nlocal + atom->nghost; + + // grow per-atom storage, if needed + + if (atom->nmax > nmax) { + memory->destroy(fatom); + nmax = atom->nmax; + memory->create(fatom, nmax, size_peratom_cols, "heat/flux/virial/tally:fatom"); + array_atom = fatom; + } + + // clear storage + + for (int i = 0; i < ntotal; ++i) + for (int j = 0; j < size_peratom_cols; ++j) fatom[i][j] = 0.0; + + did_setup = update->ntimestep; +} + +/* ---------------------------------------------------------------------- */ +void ComputeHeatFluxVirialTally::pair_tally_callback(int i, int j, int nlocal, int newton, double, + double, double fpair, double dx, double dy, + double dz) +{ + const int *const mask = atom->mask; + + const bool ingroup1 = (mask[i] & groupbit); + if ((ingroup1 && (mask[j] & groupbit2)) || ((mask[i] & groupbit2) && (mask[j] & groupbit))) { + + // signs set to calculate heat flux from group2 into group1 + const double fx = (ingroup1 ? 0.5 : -0.5) * dx * fpair; + const double fy = (ingroup1 ? 0.5 : -0.5) * dy * fpair; + const double fz = (ingroup1 ? 0.5 : -0.5) * dz * fpair; + + if (newton || i < nlocal) { + fatom[i][0] += fx; + fatom[i][1] += fy; + fatom[i][2] += fz; + } + if (newton || j < nlocal) { + fatom[j][0] += fx; + fatom[j][1] += fy; + fatom[j][2] += fz; + } + } +} + +/* ---------------------------------------------------------------------- */ + +int ComputeHeatFluxVirialTally::pack_reverse_comm(int n, int first, double *buf) +{ + int i, m, last; + + m = 0; + last = first + n; + for (i = first; i < last; i++) { + buf[m++] = fatom[i][0]; + buf[m++] = fatom[i][1]; + buf[m++] = fatom[i][2]; + } + return m; +} + +/* ---------------------------------------------------------------------- */ + +void ComputeHeatFluxVirialTally::unpack_reverse_comm(int n, int *list, double *buf) +{ + int i, j, m; + + m = 0; + for (i = 0; i < n; i++) { + j = list[i]; + fatom[j][0] += buf[m++]; + fatom[j][1] += buf[m++]; + fatom[j][2] += buf[m++]; + } +} + +/* ---------------------------------------------------------------------- */ + +double ComputeHeatFluxVirialTally::compute_scalar() +{ + // need to collect contributions from ghost atoms + // because we need to use local velocities to compute heat flux + if (invoked_peratom != update->ntimestep) compute_peratom(); + + invoked_scalar = update->ntimestep; + if ((did_setup != invoked_scalar) || (update->eflag_global != invoked_scalar)) + error->all(FLERR, "Energy was not tallied on needed timestep"); + + // sum heat flux across procs + double hflux = 0.0; + for (int i = 0; i < atom->nlocal; i++) + hflux += + fatom[i][0] * atom->v[i][0] + fatom[i][1] * atom->v[i][1] + fatom[i][2] * atom->v[i][2]; + + MPI_Allreduce(&hflux, &scalar, 1, MPI_DOUBLE, MPI_SUM, world); + + return scalar; +} + +/* ---------------------------------------------------------------------- */ + +void ComputeHeatFluxVirialTally::compute_peratom() +{ + invoked_peratom = update->ntimestep; + if ((did_setup != invoked_peratom) || (update->eflag_global != invoked_peratom)) + error->all(FLERR, "Energy was not tallied on needed timestep"); + + // collect contributions from ghost atoms + + if (force->newton_pair) { + comm->reverse_comm_compute(this); + + // clear out ghost atom data after it has been collected to local atoms + const int nall = atom->nlocal + atom->nghost; + for (int i = atom->nlocal; i < nall; ++i) + for (int j = 0; j < size_peratom_cols; ++j) fatom[i][j] = 0.0; + } +} + +/* ---------------------------------------------------------------------- + memory usage of local atom-based array +------------------------------------------------------------------------- */ + +double ComputeHeatFluxVirialTally::memory_usage() +{ + double bytes = (nmax < 0) ? 0 : nmax * size_peratom_cols * sizeof(double); + return bytes; +} diff --git a/src/TALLY/compute_heat_flux_virial_tally.h b/src/TALLY/compute_heat_flux_virial_tally.h new file mode 100644 index 0000000000..d2a3d39a7d --- /dev/null +++ b/src/TALLY/compute_heat_flux_virial_tally.h @@ -0,0 +1,64 @@ +/* -*- c++ -*- ---------------------------------------------------------- + LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator + https://www.lammps.org/, Sandia National Laboratories + Steve Plimpton, sjplimp@sandia.gov + + Copyright (2003) Sandia Corporation. Under the terms of Contract + DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains + certain rights in this software. This software is distributed under + the GNU General Public License. + + See the README file in the top-level LAMMPS directory. +------------------------------------------------------------------------- */ + +#ifdef COMPUTE_CLASS +// clang-format off +ComputeStyle(heat/flux/virial/tally,ComputeHeatFluxVirialTally); +// clang-format on +#else + +#ifndef LMP_COMPUTE_HEAT_FLUX_VIRIAL_TALLY_H +#define LMP_COMPUTE_HEAT_FLUX_VIRIAL_TALLY_H + +#include "compute.h" + +namespace LAMMPS_NS { + +class ComputeHeatFluxVirialTally : public Compute { + + public: + ComputeHeatFluxVirialTally(class LAMMPS *, int, char **); + virtual ~ComputeHeatFluxVirialTally(); + + void init(); + + double compute_scalar(); + void compute_peratom(); + + int pack_reverse_comm(int, int, double *); + void unpack_reverse_comm(int, int *, double *); + double memory_usage(); + + void pair_setup_callback(int, int); + void pair_tally_callback(int, int, int, int, double, double, double, double, double, double); + + private: + bigint did_setup; + int nmax, igroup2, groupbit2; + double **fatom; +}; + +} // namespace LAMMPS_NS + +#endif +#endif + +/* ERROR/WARNING messages: + +E: Illegal ... command + +Self-explanatory. Check the input script syntax and compare to the +documentation for the command. You can use -echo screen as a +command-line option when running LAMMPS to see the offending line. + +*/ diff --git a/src/USER-MISC/pair_e3b.cpp b/src/USER-MISC/pair_e3b.cpp index e6d5935d86..a904939e42 100644 --- a/src/USER-MISC/pair_e3b.cpp +++ b/src/USER-MISC/pair_e3b.cpp @@ -1,4 +1,3 @@ -// clang-format off /* ---------------------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator https://www.lammps.org/, Sandia National Laboratories @@ -17,44 +16,45 @@ #include "pair_e3b.h" +#include "atom.h" +#include "citeme.h" +#include "comm.h" +#include "domain.h" +#include "error.h" +#include "force.h" +#include "memory.h" +#include "neigh_list.h" +#include "neighbor.h" +#include "update.h" + #include #include -#include - -#include "atom.h" -#include "neighbor.h" -#include "neigh_list.h" -#include "force.h" -#include "comm.h" -#include "memory.h" -#include "error.h" -#include "update.h" -#include "domain.h" -#include "citeme.h" //these are defined here to avoid confusing hardcoded indices, but //they do not allow flexibility. If they are changed the code will break #define DIM 3 -#define NUMH 2 //number of hydrogen atoms per water molecule -#define NUMO 2 //number of oxygen atoms per pair of water molecules -#define BOND_DELTA 1.01 //buffer for OH bonds that aren't perfectly rigid +#define NUMH 2 //number of hydrogen atoms per water molecule +#define NUMO 2 //number of oxygen atoms per pair of water molecules +#define BOND_DELTA 1.01 //buffer for OH bonds that aren't perfectly rigid + +static constexpr double NOT_SET = 1.024e300; using namespace LAMMPS_NS; /* ---------------------------------------------------------------------- */ -PairE3B::PairE3B(LAMMPS *lmp) : Pair(lmp),pairPerAtom(10) +PairE3B::PairE3B(LAMMPS *lmp) : Pair(lmp), pairPerAtom(10) { single_enable = 0; restartinfo = 0; one_coeff = 1; - nextra=4; //store and tally pot energy terms eA, eB, eC, and e2 + nextra = 4; //store and tally pot energy terms eA, eB, eC, and e2 pvector = new double[nextra]; allocatedE3B = false; - pairO = nullptr; - pairH = nullptr; - exps = nullptr; - del3 = nullptr; + pairO = nullptr; + pairH = nullptr; + exps = nullptr; + del3 = nullptr; fpair3 = nullptr; sumExp = nullptr; } @@ -87,23 +87,22 @@ PairE3B::~PairE3B() void PairE3B::compute(int eflag, int vflag) { - int i,j,k,h,ii,jj,hh,kk,inum,jnum,otherO; - double xtmp,ytmp,ztmp,delx,dely,delz,evdwl,fpair,rsq,tmpexp; - double fxtmp,fytmp,fztmp,fix,fiy,fiz; - double delxh,delyh,delzh,rsqh,tmpr; - double scFact1,scFact2,scEng,scDer; - int *ilist,*jlist,*numneigh,**firstneigh; + int i, j, k, h, ii, jj, hh, kk, inum, jnum, otherO; + double xtmp, ytmp, ztmp, delx, dely, delz, evdwl, fpair, rsq, tmpexp; + double fxtmp, fytmp, fztmp, fix, fiy, fiz; + double delxh, delyh, delzh, rsqh, tmpr; + double scFact1, scFact2, scEng, scDer; + int *ilist, *jlist, *numneigh, **firstneigh; bool addedH; - if (natoms != atom->natoms) - error->all(FLERR,"pair E3B requires a fixed number of atoms"); + if (natoms != atom->natoms) error->all(FLERR, "pair E3B requires a fixed number of atoms"); - ev_init(eflag,vflag); + ev_init(eflag, vflag); //clear sumExp array - memset(sumExp,0.0,nbytes); + memset(sumExp, 0.0, nbytes); evdwl = 0.0; - pvector[0]=pvector[1]=pvector[2]=pvector[3]=0.0; + pvector[0] = pvector[1] = pvector[2] = pvector[3] = 0.0; double **x = atom->x; double **f = atom->f; @@ -120,8 +119,7 @@ void PairE3B::compute(int eflag, int vflag) // loop over half neighbor list of my atoms for (ii = 0; ii < inum; ii++) { i = ilist[ii]; - if (type[i]!=typeO) - continue; + if (type[i] != typeO) continue; xtmp = x[i][0]; ytmp = x[i][1]; @@ -130,42 +128,41 @@ void PairE3B::compute(int eflag, int vflag) // two-body interactions jlist = firstneigh[i]; - jnum = numneigh[i]; + jnum = numneigh[i]; for (jj = 0; jj < jnum; jj++) { j = jlist[jj]; j &= NEIGHMASK; //skip unless O-O interaction - if (type[j]!=typeO) - continue; + if (type[j] != typeO) continue; delx = xtmp - x[j][0]; dely = ytmp - x[j][1]; delz = ztmp - x[j][2]; - rsq = delx*delx + dely*dely + delz*delz; //OO distance + rsq = delx * delx + dely * dely + delz * delz; //OO distance //two body interaction //not shifted b/c k2=4.87/A, so at cutoff (5.2A) e^(-kr) = 1e-11 if (rsq < rc2sq) { - tmpr = sqrt(rsq); - tmpexp = e2 * exp(-k2*tmpr); - fpair = k2 * tmpexp / tmpr; + tmpr = sqrt(rsq); + tmpexp = e2 * exp(-k2 * tmpr); + fpair = k2 * tmpexp / tmpr; - fxtmp = delx*fpair; - fytmp = dely*fpair; - fztmp = delz*fpair; - fix += fxtmp; - fiy += fytmp; - fiz += fztmp; + fxtmp = delx * fpair; + fytmp = dely * fpair; + fztmp = delz * fpair; + fix += fxtmp; + fiy += fytmp; + fiz += fztmp; f[j][0] -= fxtmp; f[j][1] -= fytmp; f[j][2] -= fztmp; if (evflag) { - ev_tally(i,j,nlocal,newton_pair,tmpexp,0.0,fpair,delx,dely,delz); + ev_tally(i, j, nlocal, newton_pair, tmpexp, 0.0, fpair, delx, dely, delz); pvector[0] += tmpexp; } - } //end if rsqmap(tag[otherO]+hh+1); + for (kk = 0; kk < NUMO; kk++) { + k = pairO[npair][kk]; + otherO = pairO[npair][(kk + 1) % 2]; + for (hh = 0; hh < NUMH; hh++) { + h = atom->map(tag[otherO] + hh + 1); //if hydrogen atom is missing, bond potential or shake will //catch this, so don't need to check here //if (h<0) // error->one(FLERR,"hydrogen atom missing"); - h = domain->closest_image(otherO,h); + h = domain->closest_image(otherO, h); pairH[npair][kk][hh] = h; delxh = x[k][0] - x[h][0]; delyh = x[k][1] - x[h][1]; delzh = x[k][2] - x[h][2]; - rsqh = delxh*delxh + delyh*delyh + delzh*delzh; + rsqh = delxh * delxh + delyh * delyh + delzh * delzh; if (rsqh < rc3sq) { - tmpr = sqrt(rsqh); - tmpexp = exp(-k3*tmpr); + tmpr = sqrt(rsqh); + tmpexp = exp(-k3 * tmpr); if (tmpr > rs) { - scFact1 = rc3-tmpr; - scFact2 = sc_num + 2*tmpr; - scEng = scFact1*scFact1*scFact2*sc_denom; - scDer = k3*scEng - 6*scFact1*(rs-tmpr)*sc_denom; - } else { + scFact1 = rc3 - tmpr; + scFact2 = sc_num + 2 * tmpr; + scEng = scFact1 * scFact1 * scFact2 * sc_denom; + scDer = k3 * scEng - 6 * scFact1 * (rs - tmpr) * sc_denom; + } else { scDer = k3; scEng = 1.0; } //need to keep fpair3 separate from del3 for virial - fpair3[npair][kk][hh] = scDer*tmpexp/tmpr; - tmpexp *= scEng; - exps[npair][kk][hh] = tmpexp; + fpair3[npair][kk][hh] = scDer * tmpexp / tmpr; + tmpexp *= scEng; + exps[npair][kk][hh] = tmpexp; del3[npair][kk][hh][0] = delxh; del3[npair][kk][hh][1] = delyh; del3[npair][kk][hh][2] = delzh; //accumulate global vector of sum(e^kr) //tags start at 1, so subtract one to index sumExp - sumExp[tag[k]-1] += tmpexp; - sumExp[tag[h]-1] += tmpexp; + sumExp[tag[k] - 1] += tmpexp; + sumExp[tag[h] - 1] += tmpexp; addedH = true; } else { - exps [npair][kk][hh] = 0.0; + exps[npair][kk][hh] = 0.0; fpair3[npair][kk][hh] = 0.0; - } //if < rc3sq - } //end loop through 2 Hs - } //end for kk in NUMO + } //if < rc3sq + } //end loop through 2 Hs + } //end for kk in NUMO //if added a pair, check if array is too small and grow if (addedH) { npair++; - if (npair >= pairmax) - error->one(FLERR,"neigh is too small"); + if (npair >= pairmax) error->one(FLERR, "neigh is too small"); } - } //end if < rc3deltaSq - } //end for jj neigh + } //end if < rc3deltaSq + } //end for jj neigh //add 2-body forces on i f[i][0] += fix; f[i][1] += fiy; f[i][2] += fiz; - } //end for ii + } //end for ii //communicate sumExp array //tested that no change in speed with MPI_IN_PLACE - MPI_Allreduce(MPI_IN_PLACE,sumExp,maxID,MPI_DOUBLE,MPI_SUM,world); + MPI_Allreduce(MPI_IN_PLACE, sumExp, maxID, MPI_DOUBLE, MPI_SUM, world); //now loop through list of pairs, calculating 3body forces - int j2,otherH; - double partA,partB,partC; + int j2, otherH; + double partA, partB, partC; for (ii = 0; ii < npair; ii++) { - for (kk=0; kkntypes; - memory->create(setflag,n+1,n+1,"pair:setflag"); - memory->create(cutsq,n+1,n+1,"pair:cutsq"); + memory->create(setflag, n + 1, n + 1, "pair:setflag"); + memory->create(cutsq, n + 1, n + 1, "pair:cutsq"); } void PairE3B::allocateE3B() @@ -349,28 +344,26 @@ void PairE3B::allocateE3B() allocatedE3B = true; //TODO: get memory->grow working for 4d arrays - pairmax = atom->nlocal*pairPerAtom; //initial guess for size of pair lists - memory->create(pairO ,pairmax,NUMO ,"pair:pairO"); - memory->create(pairH ,pairmax,NUMO,NUMH ,"pair:pairH"); - memory->create(exps ,pairmax,NUMO,NUMH ,"pair:exps"); - memory->create(fpair3,pairmax,NUMO,NUMH ,"pair:fpair3"); - memory->create(del3 ,pairmax,NUMO,NUMH,DIM,"pair:del3"); + pairmax = atom->nlocal * pairPerAtom; //initial guess for size of pair lists + memory->create(pairO, pairmax, NUMO, "pair:pairO"); + memory->create(pairH, pairmax, NUMO, NUMH, "pair:pairH"); + memory->create(exps, pairmax, NUMO, NUMH, "pair:exps"); + memory->create(fpair3, pairmax, NUMO, NUMH, "pair:fpair3"); + memory->create(del3, pairmax, NUMO, NUMH, DIM, "pair:del3"); //set del3 to zero to silence valgrind memcheck errors //don't need to do this in every call to compute() because we set //exps and fpair3 to zero, and all uses of del3 are multiplied by one of those - int ii,jj,kk,ll; - for (ii=0; iinatoms; - maxID=find_maxID(); - if (!natoms) - error->all(FLERR,"No atoms found"); - memory->create(sumExp,maxID,"pair:sumExp"); + natoms = atom->natoms; + maxID = find_maxID(); + if (!natoms) error->all(FLERR, "No atoms found"); + memory->create(sumExp, maxID, "pair:sumExp"); nbytes = sizeof(double) * maxID; } @@ -380,8 +373,8 @@ void PairE3B::allocateE3B() void PairE3B::settings(int narg, char **arg) { - if (narg != 1) error->all(FLERR,"Illegal pair_style command"); - typeO=utils::inumeric(FLERR,arg[0],false,lmp); + if (narg != 1) error->all(FLERR, "Illegal pair_style command"); + typeO = utils::inumeric(FLERR, arg[0], false, lmp); } /* ---------------------------------------------------------------------- @@ -393,76 +386,66 @@ void PairE3B::coeff(int narg, char **arg) if (!allocated) allocate(); //1=* 2=* 3/4=1st keyword/value - if (narg < 4) - error->all(FLERR,"There must be at least one keyword given to pair_coeff"); + if (narg < 4) error->all(FLERR, "There must be at least one keyword given to pair_coeff"); - // ensure I,J args are * * - if (strcmp(arg[0],"*") != 0 || strcmp(arg[1],"*") != 0) - error->all(FLERR,"Incorrect args for pair coefficients"); - - // clear setflag since coeff() called once with I,J = * * + // clear setflag since coeff() called once with I,J = * * int n = atom->ntypes; for (int i = 1; i <= n; i++) - for (int j = i; j <= n; j++) - setflag[i][j] = 0; + for (int j = i; j <= n; j++) setflag[i][j] = 0; - setflag[typeO][typeO]=1; + setflag[typeO][typeO] = 1; //parse keyword/value pairs - double bondL=0.0; //OH bond length - bool repeatFlag=false; - int presetFlag; + double bondL = 0.0; //OH bond length + bool repeatFlag = false; //clear parameters - e2=ea=eb=ec=k3=k2=NAN; - rs=rc3=rc2=0.0; + e2 = ea = eb = ec = k3 = k2 = NOT_SET; + rs = rc3 = rc2 = 0.0; - int iarg = 2; //beginning of keyword/value pairs + int iarg = 2; //beginning of keyword/value pairs while (iarg < narg) { char *keyword = arg[iarg++]; - if (checkKeyword(keyword,"Ea",1,narg-iarg)) - ea=utils::numeric(FLERR,arg[iarg++],false,lmp); - else if (checkKeyword(keyword,"Eb",1,narg-iarg)) - eb=utils::numeric(FLERR,arg[iarg++],false,lmp); - else if (checkKeyword(keyword,"Ec",1,narg-iarg)) - ec=utils::numeric(FLERR,arg[iarg++],false,lmp); - else if (checkKeyword(keyword,"K3",1,narg-iarg)) - k3=utils::numeric(FLERR,arg[iarg++],false,lmp); - else if (checkKeyword(keyword,"Rs",1,narg-iarg)) - rs=utils::numeric(FLERR,arg[iarg++],false,lmp); - else if (checkKeyword(keyword,"Rc3",1,narg-iarg)) - rc3=utils::numeric(FLERR,arg[iarg++],false,lmp); - else if (checkKeyword(keyword,"Rc2",1,narg-iarg)) - rc2=utils::numeric(FLERR,arg[iarg++],false,lmp); - else if (checkKeyword(keyword,"bondL",1,narg-iarg)) - bondL=utils::numeric(FLERR,arg[iarg++],false,lmp); - else if (checkKeyword(keyword,"E2",1,narg-iarg)) - e2=utils::numeric(FLERR,arg[iarg++],false,lmp); - else if (checkKeyword(keyword,"K2",1,narg-iarg)) - k2=utils::numeric(FLERR,arg[iarg++],false,lmp); - else if (checkKeyword(keyword,"neigh",1,narg-iarg)) - pairPerAtom=utils::inumeric(FLERR,arg[iarg++],false,lmp); - else if (checkKeyword(keyword,"preset",1,narg-iarg)) { - presetFlag=utils::inumeric(FLERR,arg[iarg++],false,lmp); - presetParam(presetFlag,repeatFlag,bondL); - } else { - char str[256]; - snprintf(str,256,"Keyword %s is unknown",keyword); - error->all(FLERR,str); - } + if (checkKeyword(keyword, "Ea", 1, narg - iarg)) + ea = utils::numeric(FLERR, arg[iarg++], false, lmp); + else if (checkKeyword(keyword, "Eb", 1, narg - iarg)) + eb = utils::numeric(FLERR, arg[iarg++], false, lmp); + else if (checkKeyword(keyword, "Ec", 1, narg - iarg)) + ec = utils::numeric(FLERR, arg[iarg++], false, lmp); + else if (checkKeyword(keyword, "K3", 1, narg - iarg)) + k3 = utils::numeric(FLERR, arg[iarg++], false, lmp); + else if (checkKeyword(keyword, "Rs", 1, narg - iarg)) + rs = utils::numeric(FLERR, arg[iarg++], false, lmp); + else if (checkKeyword(keyword, "Rc3", 1, narg - iarg)) + rc3 = utils::numeric(FLERR, arg[iarg++], false, lmp); + else if (checkKeyword(keyword, "Rc2", 1, narg - iarg)) + rc2 = utils::numeric(FLERR, arg[iarg++], false, lmp); + else if (checkKeyword(keyword, "bondL", 1, narg - iarg)) + bondL = utils::numeric(FLERR, arg[iarg++], false, lmp); + else if (checkKeyword(keyword, "E2", 1, narg - iarg)) + e2 = utils::numeric(FLERR, arg[iarg++], false, lmp); + else if (checkKeyword(keyword, "K2", 1, narg - iarg)) + k2 = utils::numeric(FLERR, arg[iarg++], false, lmp); + else if (checkKeyword(keyword, "neigh", 1, narg - iarg)) + pairPerAtom = utils::inumeric(FLERR, arg[iarg++], false, lmp); + else if (checkKeyword(keyword, "preset", 1, narg - iarg)) { + int presetFlag = utils::inumeric(FLERR, arg[iarg++], false, lmp); + presetParam(presetFlag, repeatFlag, bondL); + } else + error->all(FLERR, "Keyword {} is unknown", keyword); } checkInputs(bondL); //cutmax for neighbor listing - cutmax = std::max(rc2,rc3); - rc2sq = rc2*rc2; - rc3sq = rc3*rc3; - rc3deltaSq = (rc3+bondL)*(rc3+bondL); + cutmax = MAX(rc2, rc3); + rc2sq = rc2 * rc2; + rc3sq = rc3 * rc3; + rc3deltaSq = (rc3 + bondL) * (rc3 + bondL); - double tmpfact=1.0/(rc3-rs); - sc_denom=tmpfact*tmpfact*tmpfact; - sc_num=rc3-3*rs; + double tmpfact = 1.0 / (rc3 - rs); + sc_denom = tmpfact * tmpfact * tmpfact; + sc_num = rc3 - 3 * rs; } /* ---------------------------------------------------------------------- @@ -471,138 +454,131 @@ void PairE3B::coeff(int narg, char **arg) void PairE3B::init_style() { - if (atom->tag_enable == 0) - error->all(FLERR,"Pair style E3B requires atom IDs"); - if (force->newton_pair == 0) - error->all(FLERR,"Pair style E3B requires newton pair on"); - if (typeO<1 || typeO>atom->ntypes) - error->all(FLERR,"Invalid Otype: out of bounds"); + if (atom->tag_enable == 0) error->all(FLERR, "Pair style E3B requires atom IDs"); + if (force->newton_pair == 0) error->all(FLERR, "Pair style E3B requires newton pair on"); + if (typeO < 1 || typeO > atom->ntypes) error->all(FLERR, "Invalid Otype: out of bounds"); // need a half neighbor list - neighbor->request(this,instance_me); + neighbor->request(this, instance_me); - if (!force->pair_match("tip4p",false,0)) - if (comm->me==0) error->warning(FLERR,"E3B pair_style is designed for use with hybrid/overlay tip4p style"); + if (!force->pair_match("tip4p", false, 0)) + if (comm->me == 0) + error->warning(FLERR, "E3B pair_style is designed for use with hybrid/overlay tip4p style"); if (!allocatedE3B) allocateE3B(); } - static const char cite_E3B1[] = - "Explicit Three-Body (E3B) potential for water:\n\n" - "@article{kumar_water_2008,\n" - "title = {Water Simulation Model with Explicit Three-Molecule Interactions},\n" - "volume = {112},\n" - "doi = {10.1021/jp8009468},\n" - "number = {28},\n" - "journal = {J Phys. Chem. B},\n" - "author = {Kumar, R. and Skinner, J. L.},\n" - "year = {2008},\n" - "pages = {8311--8318}\n" - "}\n\n"; + "Explicit Three-Body (E3B) potential for water:\n\n" + "@article{kumar_water_2008,\n" + "title = {Water Simulation Model with Explicit Three-Molecule Interactions},\n" + "volume = {112},\n" + "doi = {10.1021/jp8009468},\n" + "number = {28},\n" + "journal = {J Phys. Chem. B},\n" + "author = {Kumar, R. and Skinner, J. L.},\n" + "year = {2008},\n" + "pages = {8311--8318}\n" + "}\n\n"; static const char cite_E3B2[] = - "Explicit Three-Body (E3B) potential for water:\n\n" - "@article{tainter_robust_2011,\n" - "title = {Robust three-body water simulation model},\n" - "volume = {134},\n" - "doi = {10.1063/1.3587053},\n" - "number = {18},\n" - "journal = {J. Chem. Phys},\n" - "author = {Tainter, C. J. and Pieniazek, P. A. and Lin, Y.-S. and Skinner, J. L.},\n" - "year = {2011},\n" - "pages = {184501}\n" - "}\n\n"; + "Explicit Three-Body (E3B) potential for water:\n\n" + "@article{tainter_robust_2011,\n" + "title = {Robust three-body water simulation model},\n" + "volume = {134},\n" + "doi = {10.1063/1.3587053},\n" + "number = {18},\n" + "journal = {J. Chem. Phys},\n" + "author = {Tainter, C. J. and Pieniazek, P. A. and Lin, Y.-S. and Skinner, J. L.},\n" + "year = {2011},\n" + "pages = {184501}\n" + "}\n\n"; static const char cite_E3B3[] = - "Explicit Three-Body (E3B) potential for water:\n\n" - "@article{tainter_reparametrized_2015,\n" - "title = {Reparametrized {E3B} (Explicit Three-Body) Water Model Using the {TIP4P/2005} Model as a Reference},\n" - "volume = {11},\n" - "doi = {10.1021/acs.jctc.5b00117},\n" - "number = {5},\n" - "journal = {J. Chem. Theory Comput.},\n" - "author = {Tainter, Craig J. and Shi, Liang and Skinner, James L.},\n" - "year = {2015},\n" - "pages = {2268--2277}\n" - "}\n\n"; + "Explicit Three-Body (E3B) potential for water:\n\n" + "@article{tainter_reparametrized_2015,\n" + "title = {Reparametrized {E3B} (Explicit Three-Body) Water Model Using the {TIP4P/2005} Model " + "as a Reference},\n" + "volume = {11},\n" + "doi = {10.1021/acs.jctc.5b00117},\n" + "number = {5},\n" + "journal = {J. Chem. Theory Comput.},\n" + "author = {Tainter, Craig J. and Shi, Liang and Skinner, James L.},\n" + "year = {2015},\n" + "pages = {2268--2277}\n" + "}\n\n"; -void PairE3B::presetParam(const int flag,bool &repeatFlag,double &bondL) { - if (repeatFlag) { - error->all(FLERR, - "Cannot request two different sets of preset parameters"); - } - repeatFlag=true; +void PairE3B::presetParam(const int flag, bool &repeatFlag, double &bondL) +{ + if (repeatFlag) error->all(FLERR, "Cannot request two different sets of preset parameters"); + repeatFlag = true; - if (!std::isnan(ea) || !std::isnan(eb) || !std::isnan(ec) || - !std::isnan(e2) || !std::isnan(k3) || !std::isnan(k2) || - bondL!=0.0 || rs!=0.0 || rc3!=0.0 || rc2!=0.0 ) - error->all(FLERR,"Preset keyword will overwrite another keyword setting"); + if (ea != NOT_SET || eb != NOT_SET || ec != NOT_SET || e2 != NOT_SET || k3 != NOT_SET || + k2 != NOT_SET || bondL != 0.0 || rs != 0.0 || rc3 != 0.0 || rc2 != 0.0) + error->all(FLERR, "Preset keyword will overwrite another keyword setting"); - double econv=1.0,lconv=1.0; - if (strcmp(update->unit_style,"real") == 0) { - econv=1.0/4.184; - lconv=1.0; - } else if (strcmp(update->unit_style,"metal") == 0) { - econv=0.103653271; - lconv=1.0; - } else if (strcmp(update->unit_style,"si") == 0) { - econv=1.660578e-21; - lconv=1e-10; - } else if (strcmp(update->unit_style,"cgs") == 0) { - econv=1.660578e-14; - lconv=1e-8; - } else { - char str[256]; - snprintf(str,256, - "Pre-defined E3B parameters have not been set for %s units.", - update->unit_style); - error->all(FLERR,str); - } + double econv = 1.0, lconv = 1.0; + if (strcmp(update->unit_style, "real") == 0) { + econv = 1.0 / 4.184; + lconv = 1.0; + } else if (strcmp(update->unit_style, "metal") == 0) { + econv = 0.103653271; + lconv = 1.0; + } else if (strcmp(update->unit_style, "si") == 0) { + econv = 1.660578e-21; + lconv = 1e-10; + } else if (strcmp(update->unit_style, "cgs") == 0) { + econv = 1.660578e-14; + lconv = 1e-8; + } else + error->all(FLERR, "Pre-defined E3B parameters have not been set for {} units.", + update->unit_style); //here parameters are defined in kJ/mol and A //they will be converted to the lammps units after - if (flag==2008) { - error->all(FLERR,"\"preset 2008\" is not yet supported, because this would require distinct k3 coefficients, use \"preset 2011\" or \"preset 2015\""); + if (flag == 2008) { + error->all(FLERR, + "'preset 2008' is not yet supported, because this would require distinct k3 " + "coefficients, use 'preset 2011' or 'preset 2015'"); if (lmp->citeme) lmp->citeme->add(cite_E3B1); - ea = 4699.6; - eb =-2152.9; - ec = 1312.7; + ea = 4699.6; + eb = -2152.9; + ec = 1312.7; //ka = 1.0/1.88; //kb = 1.0/1.71; //kc = 1.0/1.56; - e2 = 1.925e6; - k2 = 4.67; - rs = 5.0; + e2 = 1.925e6; + k2 = 4.67; + rs = 5.0; rc3 = 5.2; rc2 = 5.2; bondL = 0.9572; - } else if (flag==2011) { + } else if (flag == 2011) { if (lmp->citeme) lmp->citeme->add(cite_E3B2); - ea = 1745.7; - eb =-4565.0; - ec = 7606.8; - k3 = 1.907; - e2 = 2.349e6; - k2 = 4.872; - rs = 5.0; + ea = 1745.7; + eb = -4565.0; + ec = 7606.8; + k3 = 1.907; + e2 = 2.349e6; + k2 = 4.872; + rs = 5.0; rc3 = 5.2; rc2 = 5.2; bondL = 0.9572; - } else if (flag==2015) { + } else if (flag == 2015) { if (lmp->citeme) lmp->citeme->add(cite_E3B3); - ea = 150.0; - eb =-1005.0; - ec = 1880.0; - k3 = 1.907; - e2 = 0.453e6; - k2 = 4.872; - rs = 5.0; + ea = 150.0; + eb = -1005.0; + ec = 1880.0; + k3 = 1.907; + e2 = 0.453e6; + k2 = 4.872; + rs = 5.0; rc3 = 5.2; rc2 = 5.2; bondL = 0.9572; } else - error->all(FLERR,"Unknown argument: preset only takes 2011 or 2015 as arguments"); + error->all(FLERR, "Unknown argument: preset only takes 2011 or 2015 as arguments"); //convert units ea *= econv; @@ -614,7 +590,7 @@ void PairE3B::presetParam(const int flag,bool &repeatFlag,double &bondL) { rs *= lconv; rc2 *= lconv; rc3 *= lconv; - bondL *= lconv*BOND_DELTA; + bondL *= lconv * BOND_DELTA; } /* ---------------------------------------------------------------------- @@ -623,18 +599,15 @@ void PairE3B::presetParam(const int flag,bool &repeatFlag,double &bondL) { //pair.cpp::init uses this to set cutsq array, used for neighboring, etc double PairE3B::init_one(int i, int j) { - if (setflag[i][j] == 0) error->all(FLERR,"All pair coeffs are not set"); + if (setflag[i][j] == 0) error->all(FLERR, "All pair coeffs are not set"); return cutmax; } -bool PairE3B::checkKeyword(const char *thiskey,const char *test,const int nVal, const int nRem) { - if (strcmp(thiskey,test) == 0) { - if (nRemall(FLERR,str); - } +bool PairE3B::checkKeyword(const char *thiskey, const char *test, const int nVal, const int nRem) +{ + if (strcmp(thiskey, test) == 0) { + if (nRem < nVal) error->all(FLERR, "Too few arguments to '{}' keyword.", test); return true; } return false; @@ -649,46 +622,34 @@ tagint PairE3B::find_maxID() tagint max = 0; tagint maxID; - for (int i = 0; i < nlocal; i++) max = MAX(max,tag[i]); - MPI_Allreduce(&max,&maxID,1,MPI_LMP_TAGINT,MPI_MAX,world); + for (int i = 0; i < nlocal; i++) max = MAX(max, tag[i]); + MPI_Allreduce(&max, &maxID, 1, MPI_LMP_TAGINT, MPI_MAX, world); return maxID; } -void PairE3B::checkInputs(const double &bondL) { +void PairE3B::checkInputs(const double &bondL) +{ //first check that all necessary values were set - if (rc2==0.0) - error->all(FLERR,"rc2 keyword missing"); - if (rs==0.0) - error->all(FLERR,"Rs keyword missing"); - if (rc3==0.0) - error->all(FLERR,"Rc3 keyword missing"); - if (bondL==0.0) - error->all(FLERR,"bondL keyword missing"); - if (std::isnan(ea)) - error->all(FLERR,"Ea keyword missing"); - if (std::isnan(eb)) - error->all(FLERR,"Eb keyword missing"); - if (std::isnan(ec)) - error->all(FLERR,"Ec keyword missing"); - if (std::isnan(k3)) - error->all(FLERR,"K3 keyword missing"); - if (std::isnan(e2)) - error->all(FLERR,"E2 keyword missing"); - if (std::isnan(k2)) - error->all(FLERR,"K2 keyword missing"); + if (rc2 == 0.0) error->all(FLERR, "rc2 keyword missing"); + if (rs == 0.0) error->all(FLERR, "Rs keyword missing"); + if (rc3 == 0.0) error->all(FLERR, "Rc3 keyword missing"); + if (bondL == 0.0) error->all(FLERR, "bondL keyword missing"); + if (ea == NOT_SET) error->all(FLERR, "Ea keyword missing"); + if (eb == NOT_SET) error->all(FLERR, "Eb keyword missing"); + if (ec == NOT_SET) error->all(FLERR, "Ec keyword missing"); + if (k3 == NOT_SET) error->all(FLERR, "K3 keyword missing"); + if (e2 == NOT_SET) error->all(FLERR, "E2 keyword missing"); + if (k2 == NOT_SET) error->all(FLERR, "K2 keyword missing"); //now test that values are within acceptable ranges - if (k2 < 0.0 or k3 < 0.0) - error->all(FLERR,"exponential decay is negative"); - if (bondL<0.0) - error->all(FLERR,"OH bond length is negative"); - if (rc2 < 0.0 || rc3 < 0.0 || rs < 0.0) - error->all(FLERR,"potential cutoff is negative"); - if (rs > rc3) - error->all(FLERR,"potential switching distance is larger than cutoff"); - if (rs==rc3) - error->warning(FLERR,"potential switching distance is equal to cutoff: this is untested and not conserve energy"); - if (pairPerAtom<0) - error->all(FLERR,"neigh is negative"); + if (k2 < 0.0 or k3 < 0.0) error->all(FLERR, "exponential decay is negative"); + if (bondL < 0.0) error->all(FLERR, "OH bond length is negative"); + if (rc2 < 0.0 || rc3 < 0.0 || rs < 0.0) error->all(FLERR, "potential cutoff is negative"); + if (rs > rc3) error->all(FLERR, "potential switching distance is larger than cutoff"); + if (rs == rc3) + error->warning(FLERR, + "potential switching distance is equal to cutoff: this is untested and not " + "conserve energy"); + if (pairPerAtom < 0) error->all(FLERR, "neigh is negative"); } diff --git a/src/dump.cpp b/src/dump.cpp index 1f54724925..ae7086af44 100644 --- a/src/dump.cpp +++ b/src/dump.cpp @@ -84,6 +84,7 @@ Dump::Dump(LAMMPS *lmp, int /*narg*/, char **arg) : Pointers(lmp) unit_flag = 0; unit_count = 0; delay_flag = 0; + write_header_flag = 1; maxfiles = -1; numfiles = 0; @@ -378,7 +379,7 @@ void Dump::write() if (multiproc) MPI_Allreduce(&bnme,&nheader,1,MPI_LMP_BIGINT,MPI_SUM,clustercomm); - if (filewriter) write_header(nheader); + if (filewriter && write_header_flag) write_header(nheader); // insure buf is sized for packing and communicating // use nmax to insure filewriter proc can receive info from others @@ -932,6 +933,13 @@ void Dump::modify_params(int narg, char **arg) else delay_flag = 0; iarg += 2; + } else if (strcmp(arg[iarg],"header") == 0) { + if (iarg+2 > narg) error->all(FLERR,"Illegal dump_modify command"); + if (strcmp(arg[iarg+1],"yes") == 0) write_header_flag = 1; + else if (strcmp(arg[iarg+1],"no") == 0) write_header_flag = 0; + else error->all(FLERR,"Illegal dump_modify command"); + iarg += 2; + } else if (strcmp(arg[iarg],"every") == 0) { if (iarg+2 > narg) error->all(FLERR,"Illegal dump_modify command"); int idump; diff --git a/src/dump.h b/src/dump.h index 05e09a929a..730d4c9ca9 100644 --- a/src/dump.h +++ b/src/dump.h @@ -79,6 +79,8 @@ class Dump : protected Pointers { int unit_flag; // 1 if dump should contain unit information int unit_count; // # of times the unit information was written int delay_flag; // 1 if delay output until delaystep + int write_header_flag; // 1 if write header, 0 if not + bigint delaystep; int refreshflag; // 1 if dump_modify refresh specified diff --git a/src/dump_custom.cpp b/src/dump_custom.cpp index 5f2acfda57..6c417026ca 100644 --- a/src/dump_custom.cpp +++ b/src/dump_custom.cpp @@ -193,16 +193,16 @@ DumpCustom::~DumpCustom() // could not do in constructor, b/c some derived classes process earg if (expand) { - for (int i = 0; i < nargnew; i++) delete [] earg[i]; + for (int i = 0; i < nargnew; i++) delete[] earg[i]; memory->sfree(earg); } - delete [] pack_choice; - delete [] vtype; + delete[] pack_choice; + delete[] vtype; memory->destroy(field2index); memory->destroy(argindex); - delete [] idregion; + delete[] idregion; memory->destroy(thresh_array); memory->destroy(thresh_op); memory->destroy(thresh_value); @@ -212,27 +212,27 @@ DumpCustom::~DumpCustom() for (int i = 0; i < nthreshlast; i++) { if (modify->nfix) modify->delete_fix(thresh_fixID[i]); - delete [] thresh_fixID[i]; + delete[] thresh_fixID[i]; } memory->sfree(thresh_fix); memory->sfree(thresh_fixID); memory->destroy(thresh_first); - for (int i = 0; i < ncompute; i++) delete [] id_compute[i]; + for (int i = 0; i < ncompute; i++) delete[] id_compute[i]; memory->sfree(id_compute); - delete [] compute; + delete[] compute; - for (int i = 0; i < nfix; i++) delete [] id_fix[i]; + for (int i = 0; i < nfix; i++) delete[] id_fix[i]; memory->sfree(id_fix); - delete [] fix; + delete[] fix; - for (int i = 0; i < nvariable; i++) delete [] id_variable[i]; + for (int i = 0; i < nvariable; i++) delete[] id_variable[i]; memory->sfree(id_variable); - delete [] variable; + delete[] variable; for (int i = 0; i < nvariable; i++) memory->destroy(vbuf[i]); - delete [] vbuf; + delete[] vbuf; - for (int i = 0; i < ncustom; i++) delete [] id_custom[i]; + for (int i = 0; i < ncustom; i++) delete[] id_custom[i]; memory->sfree(id_custom); memory->sfree(flag_custom); @@ -240,20 +240,20 @@ DumpCustom::~DumpCustom() memory->destroy(dchoose); memory->destroy(clist); - for (int i = 1; i <= ntypes; i++) delete [] typenames[i]; - delete [] typenames; + for (int i = 1; i <= ntypes; i++) delete[] typenames[i]; + delete[] typenames; if (vformat) { - for (int i = 0; i < nfield; i++) delete [] vformat[i]; - delete [] vformat; + for (int i = 0; i < nfield; i++) delete[] vformat[i]; + delete[] vformat; } if (format_column_user) { - for (int i = 0; i < nfield; i++) delete [] format_column_user[i]; - delete [] format_column_user; + for (int i = 0; i < nfield; i++) delete[] format_column_user[i]; + delete[] format_column_user; } - delete [] columns; + delete[] columns; } /* ---------------------------------------------------------------------- */ @@ -262,7 +262,7 @@ void DumpCustom::init_style() { // format = copy of default or user-specified line format - delete [] format; + delete[] format; if (format_line_user) format = utils::strdup(format_line_user); else format = utils::strdup(format_default); @@ -277,7 +277,7 @@ void DumpCustom::init_style() int i=0; for (auto word : words) { - delete [] vformat[i]; + delete[] vformat[i]; if (format_column_user[i]) vformat[i] = utils::strdup(std::string(format_column_user[i]) + " "); @@ -1429,6 +1429,7 @@ int DumpCustom::parse_fields(int narg, char **arg) ArgInfo argi(arg[iarg],ArgInfo::COMPUTE|ArgInfo::FIX|ArgInfo::VARIABLE |ArgInfo::DNAME|ArgInfo::INAME); argindex[iarg] = argi.get_index1(); + auto name = argi.get_name(); switch (argi.get_type()) { @@ -1443,21 +1444,19 @@ int DumpCustom::parse_fields(int narg, char **arg) pack_choice[iarg] = &DumpCustom::pack_compute; vtype[iarg] = Dump::DOUBLE; - n = modify->find_compute(argi.get_name()); - if (n < 0) error->all(FLERR,"Could not find dump custom compute ID"); + n = modify->find_compute(name); + if (n < 0) error->all(FLERR,"Could not find dump custom compute ID: {}",name); if (modify->compute[n]->peratom_flag == 0) - error->all(FLERR,"Dump custom compute does not compute per-atom info"); + error->all(FLERR,"Dump custom compute {} does not compute per-atom info",name); if (argi.get_dim() == 0 && modify->compute[n]->size_peratom_cols > 0) - error->all(FLERR, - "Dump custom compute does not calculate per-atom vector"); + error->all(FLERR,"Dump custom compute {} does not calculate per-atom vector",name); if (argi.get_dim() > 0 && modify->compute[n]->size_peratom_cols == 0) - error->all(FLERR, - "Dump custom compute does not calculate per-atom array"); + error->all(FLERR,"Dump custom compute {} does not calculate per-atom array",name); if (argi.get_dim() > 0 && argi.get_index1() > modify->compute[n]->size_peratom_cols) - error->all(FLERR,"Dump custom compute vector is accessed out-of-range"); + error->all(FLERR,"Dump custom compute {} vector is accessed out-of-range",name); - field2index[iarg] = add_compute(argi.get_name()); + field2index[iarg] = add_compute(name); break; // fix value = f_ID @@ -1467,19 +1466,19 @@ int DumpCustom::parse_fields(int narg, char **arg) pack_choice[iarg] = &DumpCustom::pack_fix; vtype[iarg] = Dump::DOUBLE; - n = modify->find_fix(argi.get_name()); - if (n < 0) error->all(FLERR,"Could not find dump custom fix ID"); + n = modify->find_fix(name); + if (n < 0) error->all(FLERR,"Could not find dump custom fix ID: {}",name); if (modify->fix[n]->peratom_flag == 0) - error->all(FLERR,"Dump custom fix does not compute per-atom info"); + error->all(FLERR,"Dump custom fix {} does not compute per-atom info",name); if (argi.get_dim() == 0 && modify->fix[n]->size_peratom_cols > 0) - error->all(FLERR,"Dump custom fix does not compute per-atom vector"); + error->all(FLERR,"Dump custom fix {} does not compute per-atom vector",name); if (argi.get_dim() > 0 && modify->fix[n]->size_peratom_cols == 0) - error->all(FLERR,"Dump custom fix does not compute per-atom array"); + error->all(FLERR,"Dump custom fix {} does not compute per-atom array",name); if (argi.get_dim() > 0 && argi.get_index1() > modify->fix[n]->size_peratom_cols) - error->all(FLERR,"Dump custom fix vector is accessed out-of-range"); + error->all(FLERR,"Dump custom fix {} vector is accessed out-of-range",name); - field2index[iarg] = add_fix(argi.get_name()); + field2index[iarg] = add_fix(name); break; // variable value = v_name @@ -1488,12 +1487,12 @@ int DumpCustom::parse_fields(int narg, char **arg) pack_choice[iarg] = &DumpCustom::pack_variable; vtype[iarg] = Dump::DOUBLE; - n = input->variable->find(argi.get_name()); - if (n < 0) error->all(FLERR,"Could not find dump custom variable name"); + n = input->variable->find(name); + if (n < 0) error->all(FLERR,"Could not find dump custom variable name {}",name); if (input->variable->atomstyle(n) == 0) - error->all(FLERR,"Dump custom variable is not atom-style variable"); + error->all(FLERR,"Dump custom variable {} is not atom-style variable",name); - field2index[iarg] = add_variable(argi.get_name()); + field2index[iarg] = add_variable(name); break; // custom per-atom floating point value = d_ID @@ -1503,14 +1502,14 @@ int DumpCustom::parse_fields(int narg, char **arg) vtype[iarg] = Dump::DOUBLE; tmp = -1; - n = atom->find_custom(argi.get_name(),tmp); + n = atom->find_custom(name,tmp); if (n < 0) - error->all(FLERR,"Could not find custom per-atom property ID"); + error->all(FLERR,"Could not find custom per-atom property ID: {}", name); if (tmp != 1) - error->all(FLERR,"Custom per-atom property ID is not floating point"); + error->all(FLERR,"Custom per-atom property ID {} is not floating point", name); - field2index[iarg] = add_custom(argi.get_name(),1); + field2index[iarg] = add_custom(name,1); break; // custom per-atom integer value = i_ID @@ -1520,14 +1519,14 @@ int DumpCustom::parse_fields(int narg, char **arg) vtype[iarg] = Dump::INT; tmp = -1; - n = atom->find_custom(argi.get_name(),tmp); + n = atom->find_custom(name,tmp); if (n < 0) - error->all(FLERR,"Could not find custom per-atom property ID"); + error->all(FLERR,"Could not find custom per-atom property ID: {}", name); if (tmp != 0) - error->all(FLERR,"Custom per-atom property ID is not integer"); + error->all(FLERR,"Custom per-atom property ID {} is not integer", name); - field2index[iarg] = add_custom(argi.get_name(),0); + field2index[iarg] = add_custom(name,0); break; default: @@ -1554,7 +1553,7 @@ int DumpCustom::add_compute(const char *id) id_compute = (char **) memory->srealloc(id_compute,(ncompute+1)*sizeof(char *),"dump:id_compute"); - delete [] compute; + delete[] compute; compute = new Compute*[ncompute+1]; id_compute[ncompute] = utils::strdup(id); @@ -1577,7 +1576,7 @@ int DumpCustom::add_fix(const char *id) id_fix = (char **) memory->srealloc(id_fix,(nfix+1)*sizeof(char *),"dump:id_fix"); - delete [] fix; + delete[] fix; fix = new Fix*[nfix+1]; id_fix[nfix] = utils::strdup(id); @@ -1601,9 +1600,9 @@ int DumpCustom::add_variable(const char *id) id_variable = (char **) memory->srealloc(id_variable,(nvariable+1)*sizeof(char *), "dump:id_variable"); - delete [] variable; + delete[] variable; variable = new int[nvariable+1]; - delete [] vbuf; + delete[] vbuf; vbuf = new double*[nvariable+1]; for (int i = 0; i <= nvariable; i++) vbuf[i] = nullptr; @@ -1648,8 +1647,8 @@ int DumpCustom::modify_param(int narg, char **arg) else { iregion = domain->find_region(arg[1]); if (iregion == -1) - error->all(FLERR,"Dump_modify region ID does not exist"); - delete [] idregion; + error->all(FLERR,"Dump_modify region ID {} does not exist",arg[1]); + delete[] idregion; idregion = utils::strdup(arg[1]); } return 2; @@ -1661,7 +1660,7 @@ int DumpCustom::modify_param(int narg, char **arg) if (strcmp(arg[1],"none") == 0) { // just clear format_column_user allocated by this dump child class for (int i = 0; i < nfield; i++) { - delete [] format_column_user[i]; + delete[] format_column_user[i]; format_column_user[i] = nullptr; } return 2; @@ -1670,17 +1669,16 @@ int DumpCustom::modify_param(int narg, char **arg) if (narg < 3) error->all(FLERR,"Illegal dump_modify command"); if (strcmp(arg[1],"int") == 0) { - delete [] format_int_user; + delete[] format_int_user; format_int_user = utils::strdup(arg[2]); - delete [] format_bigint_user; + delete[] format_bigint_user; int n = strlen(format_int_user) + 8; format_bigint_user = new char[n]; // replace "d" in format_int_user with bigint format specifier // use of &str[1] removes leading '%' from BIGINT_FORMAT string char *ptr = strchr(format_int_user,'d'); if (ptr == nullptr) - error->all(FLERR, - "Dump_modify int format does not contain d character"); + error->all(FLERR,"Dump_modify int format does not contain d character"); char str[8]; sprintf(str,"%s",BIGINT_FORMAT); *ptr = '\0'; @@ -1688,14 +1686,14 @@ int DumpCustom::modify_param(int narg, char **arg) *ptr = 'd'; } else if (strcmp(arg[1],"float") == 0) { - delete [] format_float_user; + delete[] format_float_user; format_float_user = utils::strdup(arg[2]); } else { int i = utils::inumeric(FLERR,arg[1],false,lmp) - 1; if (i < 0 || i >= nfield) error->all(FLERR,"Illegal dump_modify command"); - if (format_column_user[i]) delete [] format_column_user[i]; + if (format_column_user[i]) delete[] format_column_user[i]; format_column_user[i] = utils::strdup(arg[2]); } return 3; @@ -1703,10 +1701,10 @@ int DumpCustom::modify_param(int narg, char **arg) if (strcmp(arg[0],"element") == 0) { if (narg < ntypes+1) - error->all(FLERR,"Dump_modify element names do not match atom types"); + error->all(FLERR,"Number of dump_modify element names does not match number of atom types"); - for (int i = 1; i <= ntypes; i++) delete [] typenames[i]; - delete [] typenames; + for (int i = 1; i <= ntypes; i++) delete[] typenames[i]; + delete[] typenames; typenames = new char*[ntypes+1]; for (int itype = 1; itype <= ntypes; itype++) { typenames[itype] = utils::strdup(arg[itype]); @@ -1739,7 +1737,7 @@ int DumpCustom::modify_param(int narg, char **arg) thresh_last = nullptr; for (int i = 0; i < nthreshlast; i++) { modify->delete_fix(thresh_fixID[i]); - delete [] thresh_fixID[i]; + delete[] thresh_fixID[i]; } thresh_fix = nullptr; thresh_fixID = nullptr; @@ -1850,6 +1848,7 @@ int DumpCustom::modify_param(int narg, char **arg) ArgInfo argi(arg[1],ArgInfo::COMPUTE|ArgInfo::FIX|ArgInfo::VARIABLE |ArgInfo::DNAME|ArgInfo::INAME); argindex[nfield+nthresh] = argi.get_index1(); + auto name = argi.get_name(); switch (argi.get_type()) { @@ -1862,23 +1861,20 @@ int DumpCustom::modify_param(int narg, char **arg) case ArgInfo::COMPUTE: thresh_array[nthresh] = COMPUTE; - n = modify->find_compute(argi.get_name()); - if (n < 0) error->all(FLERR,"Could not find dump modify compute ID"); + n = modify->find_compute(name); + if (n < 0) error->all(FLERR,"Could not find dump modify compute ID: {}",name); if (modify->compute[n]->peratom_flag == 0) - error->all(FLERR, - "Dump modify compute ID does not compute per-atom info"); + error->all(FLERR,"Dump modify compute ID {} does not compute per-atom info",name); if (argi.get_dim() == 0 && modify->compute[n]->size_peratom_cols > 0) - error->all(FLERR, - "Dump modify compute ID does not compute per-atom vector"); + error->all(FLERR,"Dump modify compute ID {} does not compute per-atom vector",name); if (argi.get_index1() > 0 && modify->compute[n]->size_peratom_cols == 0) - error->all(FLERR, - "Dump modify compute ID does not compute per-atom array"); + error->all(FLERR,"Dump modify compute ID {} does not compute per-atom array",name); if (argi.get_index1() > 0 && argi.get_index1() > modify->compute[n]->size_peratom_cols) - error->all(FLERR,"Dump modify compute ID vector is not large enough"); + error->all(FLERR,"Dump modify compute ID {} vector is not large enough",name); - field2index[nfield+nthresh] = add_compute(argi.get_name()); + field2index[nfield+nthresh] = add_compute(name); break; // fix value = f_ID @@ -1886,20 +1882,19 @@ int DumpCustom::modify_param(int narg, char **arg) case ArgInfo::FIX: thresh_array[nthresh] = FIX; - n = modify->find_fix(argi.get_name()); - if (n < 0) error->all(FLERR,"Could not find dump modify fix ID"); + n = modify->find_fix(name); + if (n < 0) error->all(FLERR,"Could not find dump modify fix ID: {}",name); if (modify->fix[n]->peratom_flag == 0) - error->all(FLERR,"Dump modify fix ID does not compute per-atom info"); + error->all(FLERR,"Dump modify fix ID {} does not compute per-atom info",name); if (argi.get_dim() == 0 && modify->fix[n]->size_peratom_cols > 0) - error->all(FLERR,"Dump modify fix ID does not compute per-atom vector"); + error->all(FLERR,"Dump modify fix ID {} does not compute per-atom vector",name); if (argi.get_index1() > 0 && modify->fix[n]->size_peratom_cols == 0) - error->all(FLERR,"Dump modify fix ID does not compute per-atom array"); - if (argi.get_index1() > 0 && - argi.get_index1() > modify->fix[n]->size_peratom_cols) - error->all(FLERR,"Dump modify fix ID vector is not large enough"); + error->all(FLERR,"Dump modify fix ID {} does not compute per-atom array",name); + if (argi.get_index1() > 0 && argi.get_index1() > modify->fix[n]->size_peratom_cols) + error->all(FLERR,"Dump modify fix ID {} vector is not large enough",name); - field2index[nfield+nthresh] = add_fix(argi.get_name()); + field2index[nfield+nthresh] = add_fix(name); break; // variable value = v_ID @@ -1907,12 +1902,12 @@ int DumpCustom::modify_param(int narg, char **arg) case ArgInfo::VARIABLE: thresh_array[nthresh] = VARIABLE; - n = input->variable->find(argi.get_name()); - if (n < 0) error->all(FLERR,"Could not find dump modify variable name"); + n = input->variable->find(name); + if (n < 0) error->all(FLERR,"Could not find dump modify variable name: {}",name); if (input->variable->atomstyle(n) == 0) - error->all(FLERR,"Dump modify variable is not atom-style variable"); + error->all(FLERR,"Dump modify variable {} is not atom-style variable",name); - field2index[nfield+nthresh] = add_variable(argi.get_name()); + field2index[nfield+nthresh] = add_variable(name); break; // custom per atom floating point value = d_ID @@ -1920,12 +1915,11 @@ int DumpCustom::modify_param(int narg, char **arg) case ArgInfo::DNAME: thresh_array[nthresh] = DNAME; tmp = -1; - n = atom->find_custom(argi.get_name(),tmp); + n = atom->find_custom(name,tmp); if ((n < 0) || (tmp != 1)) - error->all(FLERR,"Could not find dump modify " - "custom atom floating point property ID"); + error->all(FLERR,"Could not find dump modify custom atom floating point property ID: {}",name); - field2index[nfield+nthresh] = add_custom(argi.get_name(),1); + field2index[nfield+nthresh] = add_custom(name,1); break; // custom per atom integer value = i_ID @@ -1933,16 +1927,15 @@ int DumpCustom::modify_param(int narg, char **arg) case ArgInfo::INAME: thresh_array[nthresh] = INAME; tmp = -1; - n = atom->find_custom(argi.get_name(),tmp); + n = atom->find_custom(name,tmp); if ((n < 0) || (tmp != 0)) - error->all(FLERR,"Could not find dump modify " - "custom atom integer property ID"); + error->all(FLERR,"Could not find dump modify custom atom integer property ID: {}",name); - field2index[nfield+nthresh] = add_custom(argi.get_name(),0); + field2index[nfield+nthresh] = add_custom(name,0); break; default: - error->all(FLERR,"Invalid dump_modify thresh attribute"); + error->all(FLERR,"Invalid dump_modify thresh attribute: {}",name); break; } } diff --git a/src/fix_neigh_history.cpp b/src/fix_neigh_history.cpp index 15d49793b2..4ff7e7841b 100644 --- a/src/fix_neigh_history.cpp +++ b/src/fix_neigh_history.cpp @@ -45,6 +45,7 @@ FixNeighHistory::FixNeighHistory(LAMMPS *lmp, int narg, char **arg) : create_attribute = 1; maxexchange_dynamic = 1; + use_bit_flag = 1; newton_pair = force->newton_pair; @@ -624,13 +625,21 @@ void FixNeighHistory::post_neighbor() for (jj = 0; jj < jnum; jj++) { j = jlist[jj]; - rflag = sbmask(j) | pair->beyond_contact; - j &= NEIGHMASK; - jlist[jj] = j; - // rflag = 1 if r < radsum in npair_size() method + if (use_bit_flag) { + rflag = sbmask(j) | pair->beyond_contact; + j &= NEIGHMASK; + jlist[jj] = j; + } else { + rflag = 1; + j &= NEIGHMASK; + } + + // rflag = 1 if r < radsum in npair_size() method or if pair interactions extend further // preserve neigh history info if tag[j] is in old-neigh partner list // this test could be more geometrically precise for two sphere/line/tri + // if use_bit_flag is turned off, always record data since not all npair classes + // apply a mask for history (and they could use the bits for special bonds) if (rflag) { jtag = tag[j]; diff --git a/src/fix_neigh_history.h b/src/fix_neigh_history.h index de89c9a3cb..1405c05731 100644 --- a/src/fix_neigh_history.h +++ b/src/fix_neigh_history.h @@ -28,6 +28,7 @@ class FixNeighHistory : public Fix { public: int nlocal_neigh; // nlocal at last time neigh list was built int nall_neigh; // ditto for nlocal+nghost + int use_bit_flag; // flag whether this fix uses the extra bit in the nlist int **firstflag; // ptr to each atom's neighbor flsg double **firstvalue; // ptr to each atom's values class Pair *pair; // ptr to pair style that uses neighbor history diff --git a/src/input.cpp b/src/input.cpp index 2c2c55f4c4..50e0d45aa0 100644 --- a/src/input.cpp +++ b/src/input.cpp @@ -163,9 +163,9 @@ Input::~Input() memory->sfree(line); memory->sfree(copy); memory->sfree(work); - if (labelstr) delete [] labelstr; + if (labelstr) delete[] labelstr; memory->sfree(arg); - delete [] infiles; + delete[] infiles; delete variable; delete command_map; @@ -897,9 +897,9 @@ void Input::ifthenelse() for (int i = 0; i < ncommands; i++) { one(commands[i]); - delete [] commands[i]; + delete[] commands[i]; } - delete [] commands; + delete[] commands; return; } @@ -952,9 +952,9 @@ void Input::ifthenelse() for (int i = 0; i < ncommands; i++) { one(commands[i]); - delete [] commands[i]; + delete[] commands[i]; } - delete [] commands; + delete[] commands; return; } @@ -1015,7 +1015,7 @@ void Input::jump() if (narg == 2) { label_active = 1; - if (labelstr) delete [] labelstr; + if (labelstr) delete[] labelstr; labelstr = utils::strdup(arg[1]); } } @@ -1197,7 +1197,7 @@ void Input::shell() if (me == 0 && err != 0) { char *message = shell_failed_message("cd",err); error->warning(FLERR,message); - delete [] message; + delete[] message; } } else if (strcmp(arg[0],"mkdir") == 0) { @@ -1212,7 +1212,7 @@ void Input::shell() if (rv < 0) { char *message = shell_failed_message("mkdir",errno); error->warning(FLERR,message); - delete [] message; + delete[] message; } } @@ -1223,7 +1223,7 @@ void Input::shell() if (me == 0 && err != 0) { char *message = shell_failed_message("mv",err); error->warning(FLERR,message); - delete [] message; + delete[] message; } } else if (strcmp(arg[0],"rm") == 0) { @@ -1233,7 +1233,7 @@ void Input::shell() if (unlink(arg[i]) < 0) { char *message = shell_failed_message("rm",errno); error->warning(FLERR,message); - delete [] message; + delete[] message; } } @@ -1244,7 +1244,7 @@ void Input::shell() if (rmdir(arg[i]) < 0) { char *message = shell_failed_message("rmdir",errno); error->warning(FLERR,message); - delete [] message; + delete[] message; } } @@ -1271,7 +1271,7 @@ void Input::shell() if (me == 0 && err != 0) { char *message = shell_failed_message("putenv",err); error->warning(FLERR,message); - delete [] message; + delete[] message; } } @@ -1847,8 +1847,8 @@ void Input::suffix() } else { lmp->suffix_enable = 1; - delete [] lmp->suffix; - delete [] lmp->suffix2; + delete[] lmp->suffix; + delete[] lmp->suffix2; lmp->suffix = lmp->suffix2 = nullptr; if (strcmp(arg[0],"hybrid") == 0) { diff --git a/src/library.cpp b/src/library.cpp index c0dcb4f328..d4a82489f0 100644 --- a/src/library.cpp +++ b/src/library.cpp @@ -546,7 +546,7 @@ void lammps_commands_string(void *handle, const char *str) } END_CAPTURE - delete [] copy; + delete[] copy; } // ----------------------------------------------------------------------- diff --git a/src/lmptype.h b/src/lmptype.h index 6a7a7ef1b9..871bf5ff6c 100644 --- a/src/lmptype.h +++ b/src/lmptype.h @@ -242,9 +242,9 @@ union ubuf { // define stack variable alignment -#if defined(__INTEL_LLVM_COMPILER) || defined(__INTEL_COMPILER) +#if defined(__INTEL_COMPILER) #define _alignvar(expr, val) __declspec(align(val)) expr -#elif defined(__GNUC__) || defined(__PGI) +#elif defined(__GNUC__) || defined(__PGI) || defined(__INTEL_LLVM_COMPILER) #define _alignvar(expr, val) expr __attribute((aligned(val))) #else #define _alignvar(expr, val) expr @@ -266,7 +266,7 @@ union ubuf { #if defined(__clang__) #define _noopt __attribute__((optnone)) -#elif defined(__INTEL_COMPILER) +#elif defined(__INTEL_COMPILER) || defined(__INTEL_LLVM_COMPILER) #define _noopt #elif defined(__PGI) #define _noopt diff --git a/src/memory.cpp b/src/memory.cpp index 3e67ed1496..8f7faad545 100644 --- a/src/memory.cpp +++ b/src/memory.cpp @@ -16,7 +16,8 @@ #include "error.h" -#if defined(LMP_USER_INTEL) && defined(__INTEL_COMPILER) +#if defined(LMP_USER_INTEL) && \ + ((defined(__INTEL_COMPILER) || defined(__INTEL_LLVM_COMPILER))) #ifndef LMP_INTEL_NO_TBB #define LMP_USE_TBB_ALLOCATOR #include "tbb/scalable_allocator.h" @@ -81,7 +82,7 @@ void *Memory::srealloc(void *ptr, bigint nbytes, const char *name) #if defined(LMP_USE_TBB_ALLOCATOR) ptr = scalable_aligned_realloc(ptr, nbytes, LAMMPS_MEMALIGN); #elif defined(LMP_INTEL_NO_TBB) && defined(LAMMPS_MEMALIGN) && \ - defined(__INTEL_COMPILER) + (defined(__INTEL_COMPILER) || defined(__INTEL_LLVM_COMPILER)) ptr = realloc(ptr, nbytes); uintptr_t offset = ((uintptr_t)(const void *)(ptr)) % LAMMPS_MEMALIGN; diff --git a/src/pair_hybrid.cpp b/src/pair_hybrid.cpp index 1dc0297241..8f97451347 100644 --- a/src/pair_hybrid.cpp +++ b/src/pair_hybrid.cpp @@ -597,6 +597,10 @@ void PairHybrid::init_style() } } + // check beyond contact (set during pair coeff) before init style + for (istyle = 0; istyle < nstyles; istyle++) + if (styles[istyle]->beyond_contact) beyond_contact = 1; + // each sub-style makes its neighbor list request(s) for (istyle = 0; istyle < nstyles; istyle++) styles[istyle]->init_style(); diff --git a/src/pair_morse.h b/src/pair_morse.h index 56854b020e..a85c47df8c 100644 --- a/src/pair_morse.h +++ b/src/pair_morse.h @@ -30,17 +30,17 @@ class PairMorse : public Pair { virtual ~PairMorse(); virtual void compute(int, int); - void settings(int, char **); - void coeff(int, char **); - double init_one(int, int); - void write_restart(FILE *); - void read_restart(FILE *); - void write_restart_settings(FILE *); - void read_restart_settings(FILE *); - void write_data(FILE *); - void write_data_all(FILE *); - double single(int, int, int, int, double, double, double, double &); - void *extract(const char *, int &); + virtual void settings(int, char **); + virtual void coeff(int, char **); + virtual double init_one(int, int); + virtual void write_restart(FILE *); + virtual void read_restart(FILE *); + virtual void write_restart_settings(FILE *); + virtual void read_restart_settings(FILE *); + virtual void write_data(FILE *); + virtual void write_data_all(FILE *); + virtual double single(int, int, int, int, double, double, double, double &); + virtual void *extract(const char *, int &); protected: double cut_global; diff --git a/src/potential_file_reader.cpp b/src/potential_file_reader.cpp index c1fa157ef9..bb723d0e82 100644 --- a/src/potential_file_reader.cpp +++ b/src/potential_file_reader.cpp @@ -1,4 +1,3 @@ -// clang-format off /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator https://www.lammps.org/, Sandia National Laboratories @@ -45,26 +44,20 @@ using namespace LAMMPS_NS; * \param auto_convert Bitmask of supported unit conversions */ -PotentialFileReader::PotentialFileReader(LAMMPS *lmp, - const std::string &filename, +PotentialFileReader::PotentialFileReader(LAMMPS *lmp, const std::string &filename, const std::string &potential_name, - const std::string &name_suffix, - const int auto_convert) : - Pointers(lmp), - reader(nullptr), - filename(filename), - filetype(potential_name + name_suffix), - unit_convert(auto_convert) + const std::string &name_suffix, const int auto_convert) : + Pointers(lmp), + reader(nullptr), filename(filename), filetype(potential_name + name_suffix), + unit_convert(auto_convert) { - if (comm->me != 0) { - error->one(FLERR, "FileReader should only be called by proc 0!"); - } + if (comm->me != 0) { error->one(FLERR, "FileReader should only be called by proc 0!"); } try { reader = open_potential(filename); if (!reader) { - error->one(FLERR, "cannot open {} potential file {}: {}", - potential_name, filename, utils::getsyserror()); + error->one(FLERR, "cannot open {} potential file {}: {}", potential_name, filename, + utils::getsyserror()); } } catch (FileReaderException &e) { error->one(FLERR, e.what()); @@ -77,30 +70,32 @@ PotentialFileReader::PotentialFileReader(LAMMPS *lmp, * \param potential_name Name of potential style for error messages * \param auto_convert Bitmask of supported unit conversions */ -PotentialFileReader::PotentialFileReader(LAMMPS *lmp, - const std::string &filename, +PotentialFileReader::PotentialFileReader(LAMMPS *lmp, const std::string &filename, const std::string &potential_name, const int auto_convert) : - PotentialFileReader(lmp, filename, potential_name, " potential", auto_convert) + PotentialFileReader(lmp, filename, potential_name, " potential", auto_convert) { } /** Closes the file */ -PotentialFileReader::~PotentialFileReader() { +PotentialFileReader::~PotentialFileReader() +{ delete reader; } /** Set comment (= text after '#') handling preference for the file to be read * * \param value Comment text is ignored if true, or not if false */ -void PotentialFileReader::ignore_comments(bool value) { +void PotentialFileReader::ignore_comments(bool value) +{ reader->ignore_comments = value; } /** Read a line but ignore its content */ -void PotentialFileReader::skip_line() { +void PotentialFileReader::skip_line() +{ try { reader->skip_line(); } catch (FileReaderException &e) { @@ -119,7 +114,8 @@ void PotentialFileReader::skip_line() { * \param nparams Number of words that must be read. Default: 0 * \return String with the concatenated text */ -char *PotentialFileReader::next_line(int nparams) { +char *PotentialFileReader::next_line(int nparams) +{ try { return reader->next_line(nparams); } catch (FileReaderException &e) { @@ -137,7 +133,8 @@ char *PotentialFileReader::next_line(int nparams) { * \param list Pointer to array with suitable storage for *n* doubles * \param n Number of doubles to be read */ -void PotentialFileReader::next_dvector(double * list, int n) { +void PotentialFileReader::next_dvector(double *list, int n) +{ try { return reader->next_dvector(list, n); } catch (FileReaderException &e) { @@ -155,7 +152,8 @@ void PotentialFileReader::next_dvector(double * list, int n) { * \param separators String with list of separators. * \return ValueTokenizer object for read in text */ -ValueTokenizer PotentialFileReader::next_values(int nparams, const std::string &separators) { +ValueTokenizer PotentialFileReader::next_values(int nparams, const std::string &separators) +{ try { return reader->next_values(nparams, separators); } catch (FileReaderException &e) { @@ -168,9 +166,10 @@ ValueTokenizer PotentialFileReader::next_values(int nparams, const std::string & * * \return Value of first word in line as double */ -double PotentialFileReader::next_double() { +double PotentialFileReader::next_double() +{ try { - char * line = reader->next_line(1); + char *line = reader->next_line(1); return ValueTokenizer(line).next_double(); } catch (FileReaderException &e) { error->one(FLERR, e.what()); @@ -182,9 +181,10 @@ double PotentialFileReader::next_double() { * * \return Value of first word in line as int */ -int PotentialFileReader::next_int() { +int PotentialFileReader::next_int() +{ try { - char * line = reader->next_line(1); + char *line = reader->next_line(1); return ValueTokenizer(line).next_int(); } catch (FileReaderException &e) { error->one(FLERR, e.what()); @@ -196,9 +196,10 @@ int PotentialFileReader::next_int() { * * \return Value of first word in line as tagint */ -tagint PotentialFileReader::next_tagint() { +tagint PotentialFileReader::next_tagint() +{ try { - char * line = reader->next_line(1); + char *line = reader->next_line(1); return ValueTokenizer(line).next_tagint(); } catch (FileReaderException &e) { error->one(FLERR, e.what()); @@ -210,9 +211,10 @@ tagint PotentialFileReader::next_tagint() { * * \return Value of first word in line as bigint */ -bigint PotentialFileReader::next_bigint() { +bigint PotentialFileReader::next_bigint() +{ try { - char * line = reader->next_line(1); + char *line = reader->next_line(1); return ValueTokenizer(line).next_bigint(); } catch (FileReaderException &e) { error->one(FLERR, e.what()); @@ -224,9 +226,10 @@ bigint PotentialFileReader::next_bigint() { * * \return First word of read in line */ -std::string PotentialFileReader::next_string() { +std::string PotentialFileReader::next_string() +{ try { - char * line = reader->next_line(1); + char *line = reader->next_line(1); return ValueTokenizer(line).next_string(); } catch (FileReaderException &e) { error->one(FLERR, e.what()); @@ -246,17 +249,17 @@ std::string PotentialFileReader::next_string() { * \param path Path of the potential file to open * \return Pointer to TextFileReader object created */ -TextFileReader *PotentialFileReader::open_potential(const std::string &path) { +TextFileReader *PotentialFileReader::open_potential(const std::string &path) +{ std::string filepath = utils::get_potential_file_path(path); if (!filepath.empty()) { std::string unit_style = lmp->update->unit_style; - std::string date = utils::get_potential_date(filepath, filetype); - std::string units = utils::get_potential_units(filepath, filetype); + std::string date = utils::get_potential_date(filepath, filetype); + std::string units = utils::get_potential_units(filepath, filetype); if (!date.empty()) - utils::logmesg(lmp,"Reading {} file {} with DATE: {}\n", - filetype, filename, date); + utils::logmesg(lmp, "Reading {} file {} with DATE: {}\n", filetype, filename, date); if (units.empty()) { unit_convert = utils::NOCONVERT; @@ -266,18 +269,18 @@ TextFileReader *PotentialFileReader::open_potential(const std::string &path) { } else { if ((units == "metal") && (unit_style == "real") && (unit_convert & utils::METAL2REAL)) { unit_convert = utils::METAL2REAL; - } else if ((units == "real") && (unit_style == "metal") && (unit_convert & utils::REAL2METAL)) { + } else if ((units == "real") && (unit_style == "metal") && + (unit_convert & utils::REAL2METAL)) { unit_convert = utils::REAL2METAL; } else { - lmp->error->one(FLERR, "{} file {} requires {} units " - "but {} units are in use", filetype, - filename, units, unit_style); + lmp->error->one(FLERR, "{} file {} requires {} units but {} units are in use", filetype, + filename, units, unit_style); } } } if (unit_convert != utils::NOCONVERT) - lmp->error->warning(FLERR, "Converting {} in {} units to {} units", - filetype, units, unit_style); + lmp->error->warning(FLERR, "Converting {} in {} units to {} units", filetype, units, + unit_style); return new TextFileReader(filepath, filetype); } return nullptr; diff --git a/src/text_file_reader.cpp b/src/text_file_reader.cpp index d4847c67ee..926dedcf80 100644 --- a/src/text_file_reader.cpp +++ b/src/text_file_reader.cpp @@ -1,4 +1,3 @@ -// clang-format off /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator https://www.lammps.org/, Sandia National Laboratories @@ -41,14 +40,14 @@ using namespace LAMMPS_NS; * \param filename Name of file to be read * \param filetype Description of file type for error messages */ -TextFileReader::TextFileReader(const std::string &filename, const std::string &filetype) - : filetype(filetype), closefp(true), ignore_comments(true) +TextFileReader::TextFileReader(const std::string &filename, const std::string &filetype) : + filetype(filetype), closefp(true), ignore_comments(true) { fp = fopen(filename.c_str(), "r"); if (fp == nullptr) { - throw FileReaderException(fmt::format("cannot open {} file {}: {}", - filetype, filename, utils::getsyserror())); + throw FileReaderException( + fmt::format("cannot open {} file {}: {}", filetype, filename, utils::getsyserror())); } } @@ -69,21 +68,23 @@ This function is useful in combination with :cpp:func:`utils::open_potential`. * \param fp File descriptor of the already opened file * \param filetype Description of file type for error messages */ -TextFileReader::TextFileReader(FILE *fp, const std::string &filetype) - : filetype(filetype), closefp(false), fp(fp), ignore_comments(true) +TextFileReader::TextFileReader(FILE *fp, const std::string &filetype) : + filetype(filetype), closefp(false), fp(fp), ignore_comments(true) { if (fp == nullptr) throw FileReaderException("Invalid file descriptor"); } /** Closes the file */ -TextFileReader::~TextFileReader() { +TextFileReader::~TextFileReader() +{ if (closefp) fclose(fp); } /** Read the next line and ignore it */ -void TextFileReader::skip_line() { +void TextFileReader::skip_line() +{ char *ptr = fgets(line, MAXLINE, fp); if (ptr == nullptr) { // EOF @@ -105,7 +106,8 @@ void TextFileReader::skip_line() { * \param nparams Number of words that must be read. Default: 0 * \return String with the concatenated text */ -char *TextFileReader::next_line(int nparams) { +char *TextFileReader::next_line(int nparams) +{ // concatenate lines until have nparams words int n = 0; int nwords = 0; @@ -129,7 +131,8 @@ char *TextFileReader::next_line(int nparams) { if (ptr == nullptr) { // EOF if (nwords > 0 && nwords < nparams) { - throw EOFException(fmt::format("Incorrect format in {} file! {}/{} parameters", filetype, nwords, nparams)); + throw EOFException(fmt::format("Incorrect format in {} file! {}/{} parameters", filetype, + nwords, nparams)); } return nullptr; } @@ -140,9 +143,7 @@ char *TextFileReader::next_line(int nparams) { nwords += utils::count_words(&line[n]); // skip line if blank - if (nwords > 0) { - n = strlen(line); - } + if (nwords > 0) { n = strlen(line); } } return line; @@ -157,7 +158,8 @@ char *TextFileReader::next_line(int nparams) { * \param list Pointer to array with suitable storage for *n* doubles * \param n Number of doubles to be read */ -void TextFileReader::next_dvector(double * list, int n) { +void TextFileReader::next_dvector(double *list, int n) +{ int i = 0; while (i < n) { char *ptr = next_line(); @@ -165,14 +167,13 @@ void TextFileReader::next_dvector(double * list, int n) { if (ptr == nullptr) { // EOF if (i < n) { - throw FileReaderException(fmt::format("Incorrect format in {} file! {}/{} values", filetype, i, n)); + throw FileReaderException( + fmt::format("Incorrect format in {} file! {}/{} values", filetype, i, n)); } } ValueTokenizer values(line); - while (values.has_next()) { - list[i++] = values.next_double(); - } + while (values.has_next()) { list[i++] = values.next_double(); } } } @@ -186,9 +187,9 @@ void TextFileReader::next_dvector(double * list, int n) { * \param separators String with list of separators. * \return ValueTokenizer object for read in text */ -ValueTokenizer TextFileReader::next_values(int nparams, const std::string &separators) { +ValueTokenizer TextFileReader::next_values(int nparams, const std::string &separators) +{ char *ptr = next_line(nparams); - if (ptr == nullptr) - throw EOFException(fmt::format("Missing line in {} file!", filetype)); + if (ptr == nullptr) throw EOFException(fmt::format("Missing line in {} file!", filetype)); return ValueTokenizer(line, separators); } diff --git a/src/thermo.cpp b/src/thermo.cpp index 1fa6f18d2c..6e326e6891 100644 --- a/src/thermo.cpp +++ b/src/thermo.cpp @@ -73,7 +73,6 @@ using namespace MathConst; #define MULTI "etotal ke temp pe ebond eangle edihed eimp evdwl ecoul elong press" enum{ONELINE,MULTILINE}; -enum{INT,FLOAT,BIGINT}; enum{SCALAR,VECTOR,ARRAY}; diff --git a/src/thermo.h b/src/thermo.h index 9439b0ef53..89678614a7 100644 --- a/src/thermo.h +++ b/src/thermo.h @@ -31,6 +31,7 @@ class Thermo : protected Pointers { int lostbond; // ditto for atoms in bonds enum { IGNORE, WARN, ERROR }; + enum { INT, FLOAT, BIGINT }; Thermo(class LAMMPS *, int, char **); ~Thermo(); diff --git a/src/utils.h b/src/utils.h index 276ae0a315..7df9368b4d 100644 --- a/src/utils.h +++ b/src/utils.h @@ -62,7 +62,7 @@ namespace utils { * * \param lmp pointer to LAMMPS class instance * \param format format string of message to be printed - * \param ... arguments to format string */ + * \param args arguments to format string */ template void logmesg(LAMMPS *lmp, const S &format, Args &&...args) { diff --git a/src/write_restart.cpp b/src/write_restart.cpp index 3624bf0332..ddae269933 100644 --- a/src/write_restart.cpp +++ b/src/write_restart.cpp @@ -610,8 +610,8 @@ void WriteRestart::file_layout(int send_size) void WriteRestart::magic_string() { - std::string magic = MAGIC_STRING; - fwrite(magic.c_str(),sizeof(char),magic.size()+1,fp); + const char magic[] = MAGIC_STRING; + fwrite(magic,sizeof(char),strlen(magic)+1,fp); } /* ---------------------------------------------------------------------- */ diff --git a/unittest/force-styles/tests/manybody-pair-quip-sw.yaml b/unittest/force-styles/tests/manybody-pair-quip-sw.yaml new file mode 100644 index 0000000000..6e7b830f32 --- /dev/null +++ b/unittest/force-styles/tests/manybody-pair-quip-sw.yaml @@ -0,0 +1,156 @@ +--- +lammps_version: 2 Jul 2021 +date_generated: Tue Jul 20 18:41:14 2021 +epsilon: 1e-14 +skip_tests: +prerequisites: ! | + pair quip +pre_commands: ! | + variable newton_pair delete + if "$(is_active(package,gpu)) > 0.0" then "variable newton_pair index off" else "variable newton_pair index on" +post_commands: ! "" +input_file: in.manybody +pair_style: quip +pair_coeff: ! | + * * SiGeH.sw.quip "IP SW" 14 14 14 14 32 32 32 1 +extract: ! 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