diff --git a/cmake/CMakeLists.txt b/cmake/CMakeLists.txt index 371f836a36..a5861ab885 100644 --- a/cmake/CMakeLists.txt +++ b/cmake/CMakeLists.txt @@ -305,6 +305,8 @@ pkg_depends(LATBOLTZ MPI) pkg_depends(PHONON KSPACE) pkg_depends(SCAFACOS MPI) pkg_depends(DIELECTRIC KSPACE) +pkg_depends(CG-DNA MOLECULE) +pkg_depends(CG-DNA ASPHERE) # detect if we may enable OpenMP support by default set(BUILD_OMP_DEFAULT OFF) diff --git a/doc/src/PDF/CG-DNA.pdf b/doc/src/PDF/CG-DNA.pdf index 2577875f68..632df1fdff 100644 Binary files a/doc/src/PDF/CG-DNA.pdf and b/doc/src/PDF/CG-DNA.pdf differ diff --git a/doc/src/Packages_details.rst b/doc/src/Packages_details.rst index cf70be0d4b..5a4327dad6 100644 --- a/doc/src/Packages_details.rst +++ b/doc/src/Packages_details.rst @@ -311,6 +311,11 @@ rigid-body integrators with improved stability. **Author:** Oliver Henrich (University of Strathclyde, Glasgow). +**Install:** + +The CG-DNA package requires that also the `MOLECULE `_ and +`ASPHERE `_ packages are installed. + **Supporting info:** * src/CG-DNA: filenames -> commands diff --git a/doc/src/atom_style.rst b/doc/src/atom_style.rst index a59923ebfa..4d880077d1 100644 --- a/doc/src/atom_style.rst +++ b/doc/src/atom_style.rst @@ -10,7 +10,7 @@ Syntax atom_style style args -* style = *angle* or *atomic* or *body* or *bond* or *charge* or *dipole* or *dpd* or *edpd* or *electron* or *ellipsoid* or *full* or *line* or *mdpd* or *molecular* or *peri* or *smd* or *sph* or *sphere* or *spin* or *tdpd* or *tri* or *template* or *hybrid* +* style = *angle* or *atomic* or *body* or *bond* or *charge* or *dipole* or *dpd* or *edpd* or *electron* or *ellipsoid* or *full* or *line* or *mdpd* or *molecular* or *oxdna* or *peri* or *smd* or *sph* or *sphere* or *spin* or *tdpd* or *tri* or *template* or *hybrid* .. parsed-literal:: @@ -110,6 +110,8 @@ quantities. +--------------+-----------------------------------------------------+--------------------------------------+ | *molecular* | bonds, angles, dihedrals, impropers | uncharged molecules | +--------------+-----------------------------------------------------+--------------------------------------+ +| *oxdna* | nucleotide polarity | coarse-grained DNA and RNA models | ++--------------+-----------------------------------------------------+--------------------------------------+ | *peri* | mass, volume | mesoscopic Peridynamic models | +--------------+-----------------------------------------------------+--------------------------------------+ | *smd* | volume, kernel diameter, contact radius, mass | solid and fluid SPH particles | @@ -193,6 +195,12 @@ position, which is represented by the eradius = electron size. For the *peri* style, the particles are spherical and each stores a per-particle mass and volume. +The *oxdna* style is for coarse-grained nucleotides and stores the +3'-to-5' polarity of the nucleotide strand, which is set through +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. Note that this style is part of the CG-DNA package. + The *dpd* style is for dissipative particle dynamics (DPD) particles. Note that it is part of the DPD-REACT package, and is not for use with the :doc:`pair_style dpd or dpd/stat ` commands, which can @@ -323,10 +331,12 @@ INTEL, OPENMP, and OPT packages do not use accelerated atom styles. The accelerated styles are part of the KOKKOS package. They are only -enabled if LAMMPS was built with those packages. See the :doc:`Build package ` doc page for more info. +enabled if LAMMPS was built with those packages. See the :doc:`Build +package ` doc page for more info. You can specify the accelerated styles explicitly in your input script -by including their suffix, or you can use the :doc:`-suffix command-line switch ` when you invoke LAMMPS, or you can use the +by including their suffix, or you can use the :doc:`-suffix command-line +switch ` when you invoke LAMMPS, or you can use the :doc:`suffix ` command in your input script. See the :doc:`Speed packages ` doc page for more @@ -339,7 +349,8 @@ This command cannot be used after the simulation box is defined by a :doc:`read_data ` or :doc:`create_box ` command. Many of the styles listed above are only enabled if LAMMPS was built -with a specific package, as listed below. See the :doc:`Build package ` doc page for more info. +with a specific package, as listed below. See the :doc:`Build package +` doc page for more info. The *angle*\ , *bond*\ , *full*\ , *molecular*\ , and *template* styles are part of the MOLECULE package. @@ -352,6 +363,8 @@ The *dipole* style is part of the DIPOLE package. The *peri* style is part of the PERI package for Peridynamics. +The *oxdna* style is part of the CG-DNA package for coarse-grained simulation of DNA and RNA. + The *electron* style is part of the EFF package for :doc:`electronic force fields `. The *dpd* style is part of the DPD-REACT package for dissipative diff --git a/doc/src/bond_oxdna.rst b/doc/src/bond_oxdna.rst index b2cc68fa22..80153d52b9 100644 --- a/doc/src/bond_oxdna.rst +++ b/doc/src/bond_oxdna.rst @@ -76,6 +76,15 @@ commands: The coefficients in the above example have to be kept fixed and cannot be changed without reparameterizing the entire model. +.. note:: + + This bond style has to be used with the *atom_style hybrid bond ellipsoid oxdna* + (see documentation of :doc:`atom_style `). The *atom_style oxdna* + stores the 3'-to-5' polarity of the nucleotide strand, which is set through + 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. + + 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 setup tool which creates single straight or helical DNA strands, DNA/RNA @@ -108,7 +117,7 @@ Related commands """""""""""""""" :doc:`pair_style oxdna/excv `, :doc:`pair_style oxdna2/excv `, :doc:`pair_style oxrna2/excv `, -:doc:`bond_coeff `, :doc:`fix nve/dotc/langevin ` +:doc:`bond_coeff `, :doc:`atom_style oxdna `, :doc:`fix nve/dotc/langevin ` Default """"""" diff --git a/doc/src/fix_gcmc.rst b/doc/src/fix_gcmc.rst index 894e4ec4b1..c65dace601 100644 --- a/doc/src/fix_gcmc.rst +++ b/doc/src/fix_gcmc.rst @@ -451,6 +451,11 @@ When using fix gcmc in combination with fix shake or fix rigid, only GCMC exchange moves are supported, so the argument *M* must be zero. +When using fix gcmc in combination with fix rigid, deletion +of the last remaining molecule is not allowed for technical reasons, +and so the molecule count will never drop below 1, regardless of the +specified chemical potential. + Note that very lengthy simulations involving insertions/deletions of billions of gas molecules may run out of atom or molecule IDs and trigger an error, so it is better to run multiple shorter-duration diff --git a/doc/src/pair_oxdna.rst b/doc/src/pair_oxdna.rst index b6b55a503b..38fb19a8b0 100644 --- a/doc/src/pair_oxdna.rst +++ b/doc/src/pair_oxdna.rst @@ -91,6 +91,14 @@ for a detailed description of the oxDNA force field. or :doc:`fix nve/dotc/langevin ` the temperature coefficients have to be matched to the one used in the fix. +.. note:: + + These pair styles have to be used with the *atom_style hybrid bond ellipsoid oxdna* + (see documentation of :doc:`atom_style `). The *atom_style oxdna* + stores the 3'-to-5' polarity of the nucleotide strand, which is set through + 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. + Example input and data files for DNA duplexes can be found in examples/PACKAGES/cgdna/examples/oxDNA/ and /oxDNA2/. A simple python setup tool which creates single straight or helical DNA strands, DNA duplexes or arrays of DNA duplexes can be found in examples/PACKAGES/cgdna/util/. @@ -120,7 +128,7 @@ Related commands :doc:`bond_style oxdna/fene `, :doc:`pair_coeff `, :doc:`bond_style oxdna2/fene `, :doc:`pair_style oxdna2/excv `, :doc:`bond_style oxrna2/fene `, :doc:`pair_style oxrna2/excv `, -:doc:`fix nve/dotc/langevin ` +:doc:`atom_style oxdna `, :doc:`fix nve/dotc/langevin ` Default """"""" diff --git a/doc/src/pair_oxdna2.rst b/doc/src/pair_oxdna2.rst index 37739c3813..3dce3c2d1b 100644 --- a/doc/src/pair_oxdna2.rst +++ b/doc/src/pair_oxdna2.rst @@ -100,6 +100,14 @@ and :ref:`(Ouldridge) ` for a detailed description of the oxDNA2 fo e.g. through :doc:`fix langevin ` or :doc:`fix nve/dotc/langevin ` the temperature coefficients have to be matched to the one used in the fix. +.. note:: + + These pair styles have to be used with the *atom_style hybrid bond ellipsoid oxdna* + (see documentation of :doc:`atom_style `). The *atom_style oxdna* + stores the 3'-to-5' polarity of the nucleotide strand, which is set through + 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. + Example input and data files for DNA duplexes can be found in examples/PACKAGES/cgdna/examples/oxDNA/ and /oxDNA2/. A simple python setup tool which creates single straight or helical DNA strands, DNA duplexes or arrays of DNA duplexes can be found in examples/PACKAGES/cgdna/util/. @@ -127,7 +135,7 @@ Related commands :doc:`bond_style oxdna2/fene `, :doc:`pair_coeff `, :doc:`bond_style oxdna/fene `, :doc:`pair_style oxdna/excv `, :doc:`bond_style oxrna2/fene `, :doc:`pair_style oxrna2/excv `, -:doc:`fix nve/dotc/langevin ` +:doc:`atom_style oxdna `, :doc:`fix nve/dotc/langevin ` Default """"""" diff --git a/doc/src/pair_oxrna2.rst b/doc/src/pair_oxrna2.rst index bd89f1fec0..63a5c9308b 100644 --- a/doc/src/pair_oxrna2.rst +++ b/doc/src/pair_oxrna2.rst @@ -101,6 +101,14 @@ and :ref:`(Ouldridge) ` for a detailed description of the oxRNA2 fo e.g. through :doc:`fix langevin ` or :doc:`fix nve/dotc/langevin ` the temperature coefficients have to be matched to the one used in the fix. +.. note:: + + These pair styles have to be used with the *atom_style hybrid bond ellipsoid oxdna* + (see documentation of :doc:`atom_style `). The *atom_style oxdna* + stores the 3'-to-5' polarity of the nucleotide strand, which is set through + 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. + Example input and data files for DNA duplexes can be found in examples/PACKAGES/cgdna/examples/oxDNA/ and /oxDNA2/. A simple python setup tool which creates single straight or helical DNA strands, DNA duplexes or arrays of DNA duplexes can be found in examples/PACKAGES/cgdna/util/. @@ -128,7 +136,7 @@ Related commands :doc:`bond_style oxrna2/fene `, :doc:`pair_coeff `, :doc:`bond_style oxdna/fene `, :doc:`pair_style oxdna/excv `, :doc:`bond_style oxdna2/fene `, :doc:`pair_style oxdna2/excv `, -:doc:`fix nve/dotc/langevin ` +:doc:`atom_style oxdna `, :doc:`fix nve/dotc/langevin ` Default """"""" diff --git a/doc/utils/sphinx-config/false_positives.txt b/doc/utils/sphinx-config/false_positives.txt index e7cff5f59a..846e08f501 100644 --- a/doc/utils/sphinx-config/false_positives.txt +++ b/doc/utils/sphinx-config/false_positives.txt @@ -2323,6 +2323,7 @@ Ntriples Ntype ntypes Ntypes +nucleotide nucleotides nullptr num diff --git a/examples/PACKAGES/cgdna/README b/examples/PACKAGES/cgdna/README index a403ce0321..9ad170b639 100644 --- a/examples/PACKAGES/cgdna/README +++ b/examples/PACKAGES/cgdna/README @@ -72,7 +72,7 @@ between two individual nucleotides can be established. /******************************************************************************/ -/examples/oxRNA2/duplex4 +/examples/oxRNA2/duplex2 This example uses the duplex2 with the oxRNA2 force field instead of oxDNA or oxDNA2 force field. Sequence-dependent stacking and hydrogen-bonding diff --git a/examples/PACKAGES/cgdna/examples/oxDNA/duplex1/data.duplex1 b/examples/PACKAGES/cgdna/examples/oxDNA/duplex1/data.duplex1 index 0ef671c603..54eb2beaf5 100644 --- a/examples/PACKAGES/cgdna/examples/oxDNA/duplex1/data.duplex1 +++ b/examples/PACKAGES/cgdna/examples/oxDNA/duplex1/data.duplex1 @@ -1,15 +1,14 @@ -# LAMMPS data file +LAMMPS data file via write_data, version 27 May 2021 + 10 atoms -10 ellipsoids -8 bonds - 4 atom types +8 bonds 1 bond types +10 ellipsoids -# System size --20.000000 20.000000 xlo xhi --20.000000 20.000000 ylo yhi --20.000000 20.000000 zlo zhi +-20 20 xlo xhi +-20 20 ylo yhi +-20 20 zlo zhi Masses @@ -18,56 +17,52 @@ Masses 3 3.1575 4 3.1575 -# Atom-ID, type, position, molecule-ID, ellipsoid flag, density -Atoms +Atoms # hybrid -1 1 -6.000000000000001e-01 0.000000000000000e+00 0.000000000000000e+00 1 1 1 -2 2 -4.860249842674776e-01 -3.518234140414736e-01 3.897628551303122e-01 1 1 1 -3 3 -1.874009511073395e-01 -5.699832309147915e-01 7.795257102606244e-01 1 1 1 -4 4 1.824198365552941e-01 -5.715968887521518e-01 1.169288565390937e+00 1 1 1 -5 1 4.829362784135484e-01 -3.560513319622209e-01 1.559051420521249e+00 1 1 1 -6 4 -4.829362784135484e-01 3.560513319622209e-01 1.559051420521249e+00 2 1 1 -7 1 -1.824198365552941e-01 5.715968887521516e-01 1.169288565390937e+00 2 1 1 -8 2 1.874009511073395e-01 5.699832309147913e-01 7.795257102606243e-01 2 1 1 -9 3 4.860249842674775e-01 3.518234140414733e-01 3.897628551303121e-01 2 1 1 -10 4 5.999999999999996e-01 -1.332267629550188e-16 -1.110223024625157e-16 2 1 1 +1 1 -0.33741452300167507 -0.43708835412476305 0.6450685042019271 1 1 3.7269849963023267 0 0 0 +2 2 -0.32142606102826937 -0.7137743037592722 1.1817366147004618 1 1 3.7269849963023267 0 0 0 +3 3 -0.130363628207774 -0.9147144801536078 1.62581312195109 1 1 3.7269849963023267 0 0 0 +4 4 0.16795127962282844 -0.9808507459807022 2.0894908590909003 1 1 3.7269849963023267 0 0 0 +5 1 0.46370423490634166 -0.7803347954883079 2.4251986815515827 1 1 3.7269849963023267 0 0 0 +6 4 -0.4462950185476711 0.09062163051035639 2.4668941268777607 2 1 3.7269849963023267 0 0 0 +7 1 -0.03377054097560965 0.20979847489755046 2.078208732038921 2 1 3.7269849963023267 0 0 0 +8 2 0.3297325391466579 0.17657587120899895 1.7206328374934152 2 1 3.7269849963023267 0 0 0 +9 3 0.6063699309305985 0.04682595158675571 1.2335049647817748 2 1 3.7269849963023267 0 0 0 +10 4 0.8003979559814726 -0.364393011459011 0.9884025318908612 2 1 3.7269849963023267 0 0 0 -# Atom-ID, translational velocity, angular momentum Velocities -1 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 -2 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 -3 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 -4 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 -5 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 -6 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 -7 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 -8 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 -9 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 -10 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 +1 0.320321385294804 -0.13632815939410442 -0.029398292452023418 0.3064009492028237 -0.15808560233691588 0.35878007201886397 +2 0.16868594667473025 -0.04950805613064363 0.15811007290373785 -0.07666583909321756 -0.0008074676325318194 -0.21475821019816385 +3 -0.22924557018300165 0.08381876748892438 -0.0919832851533896 0.4039387481683193 0.6123610642545824 -0.11063432848545783 +4 -0.22186204313310393 0.04952817499985707 -0.0693642101605732 -0.1358248430264938 0.4118493572385653 -0.056529305922687775 +5 0.08156431270087049 -0.2564594759800144 0.1724544416027875 0.05439894663158808 0.09338481510384318 0.3205408219238883 +6 0.03598698404367743 -0.04868642973674152 0.02860105256592922 0.04007709957283992 -0.317943400069374 0.36438025397586354 +7 -0.00822868972307372 0.047514932936351305 -0.027726409420297023 0.18356392696891796 -0.49877294396308003 0.06993313839189567 +8 -0.07177147672242379 0.1718272727853115 0.39056151182616994 -0.16728362538690794 -0.47839708820957955 -0.17897249005947627 +9 -0.1748638855727651 -0.0781638161351808 0.0560181565271157 -0.28062568580131014 0.2405396522734162 -0.4311598357169048 +10 0.18870318272756448 -0.1066780134639517 0.12610657946741227 -0.05740397100183697 0.36748833227892685 0.1498775724372025 -# Atom-ID, shape, quaternion -Ellipsoids - -1 1.173984503142341e+00 1.173984503142341e+00 1.173984503142341e+00 1.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 -2 1.173984503142341e+00 1.173984503142341e+00 1.173984503142341e+00 9.513258223252946e-01 0.000000000000000e+00 0.000000000000000e+00 3.081869234362515e-01 -3 1.173984503142341e+00 1.173984503142341e+00 1.173984503142341e+00 8.100416404457962e-01 0.000000000000000e+00 0.000000000000000e+00 5.863723567357894e-01 -4 1.173984503142341e+00 1.173984503142341e+00 1.173984503142341e+00 5.899012371043606e-01 0.000000000000000e+00 0.000000000000000e+00 8.074754054847398e-01 -5 1.173984503142341e+00 1.173984503142341e+00 1.173984503142341e+00 3.123349185122326e-01 0.000000000000000e+00 0.000000000000000e+00 9.499720515246527e-01 -6 1.173984503142341e+00 1.173984503142341e+00 1.173984503142341e+00 0.000000000000000e+00 9.499720515246527e-01 -3.123349185122326e-01 -0.000000000000000e+00 -7 1.173984503142341e+00 1.173984503142341e+00 1.173984503142341e+00 0.000000000000000e+00 8.074754054847401e-01 -5.899012371043604e-01 0.000000000000000e+00 -8 1.173984503142341e+00 1.173984503142341e+00 1.173984503142341e+00 0.000000000000000e+00 5.863723567357896e-01 -8.100416404457959e-01 0.000000000000000e+00 -9 1.173984503142341e+00 1.173984503142341e+00 1.173984503142341e+00 -0.000000000000000e+00 -3.081869234362514e-01 9.513258223252947e-01 0.000000000000000e+00 -10 1.173984503142341e+00 1.173984503142341e+00 1.173984503142341e+00 -0.000000000000000e+00 1.110223024625157e-16 1.000000000000000e+00 -0.000000000000000e+00 - -# Bond topology Bonds -1 1 1 2 -2 1 2 3 -3 1 3 4 -4 1 4 5 -5 1 6 7 -6 1 7 8 -7 1 8 9 -8 1 9 10 +1 1 1 2 +2 1 2 3 +3 1 3 4 +4 1 4 5 +5 1 6 7 +6 1 7 8 +7 1 8 9 +8 1 9 10 + +Ellipsoids + +1 1.173984503142341 1.173984503142341 1.173984503142341 0.9890278201757743 0.01779228232037064 -0.14337734159225404 0.030827642240801516 +2 1.173984503142341 1.173984503142341 1.173984503142341 0.939687458852748 0.04174166924055095 -0.023337773785056866 0.338674565089608 +3 1.173984503142341 1.173984503142341 1.173984503142341 0.8210113150655425 0.03012140921736572 0.017666019956944813 0.5698429897612057 +4 1.173984503142341 1.173984503142341 1.173984503142341 0.6623662858285051 -0.028186343967346823 0.022942552517501488 0.7482981175276918 +5 1.173984503142341 1.173984503142341 1.173984503142341 0.3601488726765216 0.0513614985821682 0.0724224158335286 0.9286602067807472 +6 1.173984503142341 1.173984503142341 1.173984503142341 0.11941234710084649 0.9244660117493703 -0.35317942248051865 -0.07979711784524246 +7 1.173984503142341 1.173984503142341 1.173984503142341 -0.17949125421205164 0.7412884899431119 -0.6379094464220707 0.1065166771202199 +8 1.173984503142341 1.173984503142341 1.173984503142341 -0.10483691088405202 0.5508895999584645 -0.8250090480220789 0.06992811634525403 +9 1.173984503142341 1.173984503142341 1.173984503142341 0.07777239911646 -0.3724087549185288 0.9103052384821374 -0.1631181963720798 +10 1.173984503142341 1.173984503142341 1.173984503142341 0.16279109707978262 0.027148630125149613 0.9849325709665359 -0.0516705065113425 diff --git a/examples/PACKAGES/cgdna/examples/oxDNA/duplex1/in.duplex1 b/examples/PACKAGES/cgdna/examples/oxDNA/duplex1/in.duplex1 index 04ff545704..fcddbf51ba 100644 --- a/examples/PACKAGES/cgdna/examples/oxDNA/duplex1/in.duplex1 +++ b/examples/PACKAGES/cgdna/examples/oxDNA/duplex1/in.duplex1 @@ -11,11 +11,11 @@ newton off boundary p p p -atom_style hybrid bond ellipsoid +atom_style hybrid bond ellipsoid oxdna atom_modify sort 0 1.0 # Pair interactions require lists of neighbours to be calculated -neighbor 1.0 bin +neighbor 2.0 bin neigh_modify every 1 delay 0 check yes read_data data.duplex1 @@ -40,27 +40,16 @@ pair_coeff * * oxdna/xstk 47.5 0.575 0.675 0.495 0.655 2.25 0.791592653589793 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/dot -#fix 1 all nve/dotc/langevin ${T} ${T} 0.03 457145 angmom 10 -#fix 1 all nve/asphere -#fix 2 all langevin ${T} ${T} 0.03 457145 angmom 10 +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 10000 1.1 rcb -comm_modify cutoff 2.5 +fix 3 all balance 1000 1.03 shift xyz 10 1.03 +comm_modify cutoff 3.8 -#compute mol all chunk/atom molecule -#compute mychunk all vcm/chunk mol -#fix 4 all ave/time 10000 1 10000 c_mychunk[1] c_mychunk[2] c_mychunk[3] file vcm.txt mode vector - -#dump pos all xyz ${ofreq} traj.${number}.xyz - -#compute quat all property/atom quatw quati quatj quatk -#dump quat all custom ${ofreq} quat.${number}.txt id c_quat[1] c_quat[2] c_quat[3] c_quat[4] -#dump_modify quat sort id -#dump_modify quat format line "%d %13.6le %13.6le %13.6le %13.6le" +compute quat all property/atom quatw quati quatj quatk compute erot all erotate/asphere compute ekin all ke @@ -71,10 +60,10 @@ 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}.txt id x y z vx vy vz fx fy fz tqx tqy tqz -#dump_modify out sort id -#dump_modify out format line "%d %13.6le %13.6le %13.6le %13.6le %13.6le %13.6le %13.6le %13.6le %13.6le %13.6le %13.6le %13.6le" +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 1000000 -#write_restart config.${number}.* +write_data last_config.${number}.* nocoeff 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 new file mode 100644 index 0000000000..7d5af6aec3 --- /dev/null +++ b/examples/PACKAGES/cgdna/examples/oxDNA/duplex1/log.27May21.duplex1.g++.1 @@ -0,0 +1,1170 @@ +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 new file mode 100644 index 0000000000..da1a98817b --- /dev/null +++ b/examples/PACKAGES/cgdna/examples/oxDNA/duplex1/log.27May21.duplex1.g++.4 @@ -0,0 +1,1170 @@ +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.30Jun20.duplex1.g++.1 b/examples/PACKAGES/cgdna/examples/oxDNA/duplex1/log.30Jun20.duplex1.g++.1 deleted file mode 100644 index 42c22b9f76..0000000000 --- a/examples/PACKAGES/cgdna/examples/oxDNA/duplex1/log.30Jun20.duplex1.g++.1 +++ /dev/null @@ -1,1175 +0,0 @@ -LAMMPS (30 Jun 2020) -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 -WARNING: Atom_style hybrid defines both pertype and peratom masses - both must be set, only peratom masses will be used (../atom_vec_hybrid.cpp:156) -atom_modify sort 0 1.0 - -# Pair interactions require lists of neighbours to be calculated -neighbor 1.0 bin -neigh_modify every 1 delay 0 check yes - -read_data data.duplex1 - orthogonal box = (-20 -20 -20) to (20 20 20) - 1 by 1 by 1 MPI processor grid - reading atoms ... - 10 atoms - reading velocities ... - 10 velocities - 10 ellipsoids - scanning bonds ... - 2 = max bonds/atom - reading bonds ... - 8 bonds - 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 - 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 - 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/dot -#fix 1 all nve/dotc/langevin ${T} ${T} 0.03 457145 angmom 10 -#fix 1 all nve/asphere -#fix 2 all langevin ${T} ${T} 0.03 457145 angmom 10 - -timestep 1e-5 - -#comm_style tiled -#fix 3 all balance 10000 1.1 rcb -comm_modify cutoff 2.5 - -#compute mol all chunk/atom molecule -#compute mychunk all vcm/chunk mol -#fix 4 all ave/time 10000 1 10000 c_mychunk[1] c_mychunk[2] c_mychunk[3] file vcm.txt mode vector - -#dump pos all xyz ${ofreq} traj.${number}.xyz - -#compute quat all property/atom quatw quati quatj quatk -#dump quat all custom ${ofreq} quat.${number}.txt id c_quat[1] c_quat[2] c_quat[3] c_quat[4] -#dump_modify quat sort id -#dump_modify quat format line "%d %13.6le %13.6le %13.6le %13.6le" - -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}.txt id x y z vx vy vz fx fy fz tqx tqy tqz -#dump_modify out sort id -#dump_modify out format line "%d %13.6le %13.6le %13.6le %13.6le %13.6le %13.6le %13.6le %13.6le %13.6le %13.6le %13.6le %13.6le" - -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 = 1.9560004 - ghost atom cutoff = 2.5 - binsize = 0.97800022, bins = 41 41 41 - 5 neighbor lists, perpetual/occasional/extra = 5 0 0 - (1) pair oxdna/excv, perpetual - attributes: half, newton off - pair build: half/bin/newtoff - stencil: half/bin/3d/newtoff - bin: standard - (2) pair oxdna/stk, perpetual, copy from (1) - attributes: half, newton off - pair build: copy - stencil: none - bin: none - (3) pair oxdna/hbond, perpetual, copy from (1) - attributes: half, newton off - pair build: copy - stencil: none - bin: none - (4) pair oxdna/xstk, perpetual, copy from (1) - attributes: half, newton off - pair build: copy - stencil: none - bin: none - (5) pair oxdna/coaxstk, perpetual, copy from (1) - attributes: half, newton off - pair build: copy - stencil: none - bin: none -0 ekin = 0 | erot = 0 | epot = -14.6424332448164 | etot = -14.6424332448164 -Per MPI rank memory allocation (min/avg/max) = 7.883 | 7.883 | 7.883 Mbytes -Step Temp E_pair E_mol TotEng Press - 0 0 -1.4711818 0.0069384985 -1.4642433 2.5836586e-06 -1000 ekin = 0.00113448721737003 | erot = 0.00413455947734281 | epot = -14.6477022915193 | etot = -14.6424332448246 -2000 ekin = 0.00449927223902336 | erot = 0.0164446434455805 | epot = -14.6633771605337 | etot = -14.6424332448491 -3000 ekin = 0.00997964450841065 | erot = 0.0366523356056461 | epot = -14.6890652250033 | etot = -14.6424332448892 -4000 ekin = 0.0173888111295073 | erot = 0.0643039804300224 | epot = -14.7241260365031 | etot = -14.6424332449436 -5000 ekin = 0.0264744514136619 | erot = 0.0987844033142069 | epot = -14.7676920997383 | etot = -14.6424332450104 -6000 ekin = 0.0369277948556079 | erot = 0.139336571052566 | epot = -14.8186976109956 | etot = -14.6424332450875 -7000 ekin = 0.04839505571915 | erot = 0.185086295692081 | epot = -14.8759145965832 | etot = -14.642433245172 -8000 ekin = 0.0604909336920643 | erot = 0.235071307523532 | epot = -14.9379954864767 | etot = -14.6424332452611 -9000 ekin = 0.0728137406440561 | erot = 0.288273694501538 | epot = -15.003520680497 | etot = -14.6424332453514 -10000 ekin = 0.0849615563085878 | erot = 0.343654369293473 | epot = -15.0710491710418 | etot = -14.6424332454398 -11000 ekin = 0.0965486715045649 | erot = 0.400187932108223 | epot = -15.1391698491357 | etot = -14.6424332455229 -12000 ekin = 0.10722146628289 | erot = 0.456896095459165 | epot = -15.20655080734 | etot = -14.642433245598 -13000 ekin = 0.116672809719548 | erot = 0.512877765427643 | epot = -15.2719838208099 | etot = -14.6424332456627 -14000 ekin = 0.12465407373104 | erot = 0.567333962045116 | epot = -15.3344212814913 | etot = -14.6424332457151 -15000 ekin = 0.13098393968427 | erot = 0.619586028256667 | epot = -15.3930032136954 | etot = -14.6424332457544 -16000 ekin = 0.135553354544872 | erot = 0.669086028489761 | epot = -15.447072628815 | etot = -14.6424332457804 -17000 ekin = 0.138326263958247 | erot = 0.715418858085449 | epot = -15.4961783678372 | etot = -14.6424332457935 -18000 ekin = 0.139336096664052 | erot = 0.758296324627745 | epot = -15.5400656670872 | etot = -14.6424332457954 -19000 ekin = 0.138678360045177 | erot = 0.797544234275864 | epot = -15.5786558401088 | etot = -14.6424332457878 -20000 ekin = 0.136500074655373 | erot = 0.83308420441103 | epot = -15.6120175248394 | etot = -14.642433245773 -21000 ekin = 0.132987065285671 | erot = 0.864912408452581 | epot = -15.6403327194916 | etot = -14.6424332457533 -22000 ekin = 0.128350288213556 | erot = 0.893077649557994 | epot = -15.6638611835027 | etot = -14.6424332457311 -23000 ekin = 0.122812385135508 | erot = 0.917661024683965 | epot = -15.6829066555277 | etot = -14.6424332457083 -24000 ekin = 0.116595521408284 | erot = 0.938759014332098 | epot = -15.6977877814267 | etot = -14.6424332456863 -25000 ekin = 0.109911323474816 | erot = 0.956471207347239 | epot = -15.7088157764882 | etot = -14.6424332456662 -26000 ekin = 0.102953426207644 | erot = 0.970893163953205 | epot = -15.7162798358091 | etot = -14.6424332456483 -27000 ekin = 0.0958928250746637 | erot = 0.982114250194058 | epot = -15.7204403209013 | etot = -14.6424332456325 -28000 ekin = 0.0888759410950343 | erot = 0.990219731539854 | epot = -15.7215289182535 | etot = -14.6424332456186 -29000 ekin = 0.0820250748773376 | erot = 0.995296041202929 | epot = -15.719754361686 | etot = -14.6424332456058 -30000 ekin = 0.0754407616839748 | erot = 0.997437949320997 | epot = -15.7153119565981 | etot = -14.6424332455932 -31000 ekin = 0.0692054432610605 | erot = 0.996756332762286 | epot = -15.7083950216035 | etot = -14.6424332455802 -32000 ekin = 0.0633878377978472 | erot = 0.993385345349225 | epot = -15.699206428713 | etot = -14.6424332455659 -33000 ekin = 0.0580474070871663 | erot = 0.987487973309971 | epot = -15.6879686259471 | etot = -14.64243324555 -34000 ekin = 0.0532383791888181 | erot = 0.979259192921751 | epot = -15.6749308176426 | etot = -14.642433245532 -35000 ekin = 0.0490128758307997 | erot = 0.968926197407229 | epot = -15.66037231875 | etot = -14.642433245512 -36000 ekin = 0.0454228081410748 | erot = 0.956745409625975 | epot = -15.6446014632576 | etot = -14.6424332454906 -37000 ekin = 0.0425203357176439 | erot = 0.942996238000726 | epot = -15.6279498191869 | etot = -14.6424332454685 -38000 ekin = 0.0403568280949571 | erot = 0.927971766616668 | epot = -15.6107618401582 | etot = -14.6424332454465 -39000 ekin = 0.0389804214212713 | erot = 0.911966804110017 | epot = -15.5933804709572 | etot = -14.642433245426 -40000 ekin = 0.0384324238856427 | erot = 0.895263959562923 | epot = -15.5761296288567 | etot = -14.6424332454081 -41000 ekin = 0.0387429860408528 | erot = 0.878118672838279 | epot = -15.5592949042733 | etot = -14.6424332453942 -42000 ekin = 0.0399266053637511 | erot = 0.860744395135508 | epot = -15.5431042458848 | etot = -14.6424332453855 -43000 ekin = 0.0419781561011213 | erot = 0.843299365355989 | epot = -15.52771076684 | etot = -14.6424332453829 -44000 ekin = 0.0448701894086714 | erot = 0.82587660331255 | epot = -15.5131800381078 | etot = -14.6424332453866 -45000 ekin = 0.0485521857411517 | erot = 0.808498758184885 | epot = -15.4994841893228 | etot = -14.6424332453968 -46000 ekin = 0.0529522094031971 | erot = 0.791119212186815 | epot = -15.4865046670025 | etot = -14.6424332454125 -47000 ekin = 0.0579809824236746 | erot = 0.773630265882156 | epot = -15.4740444937379 | etot = -14.6424332454321 -48000 ekin = 0.0635377846493077 | erot = 0.755878310836116 | epot = -15.4618493409392 | etot = -14.6424332454537 -49000 ekin = 0.069516912445729 | erot = 0.737684732482671 | epot = -15.4496348904037 | etot = -14.6424332454753 -50000 ekin = 0.0758129058454751 | erot = 0.718870126218106 | epot = -15.4371162775587 | etot = -14.6424332454952 -51000 ekin = 0.0823226638641914 | erot = 0.699278599518873 | epot = -15.4240345088949 | etot = -14.6424332455118 -52000 ekin = 0.0889431481334987 | erot = 0.678798807098492 | epot = -15.4101752007567 | etot = -14.6424332455248 -53000 ekin = 0.0955646689255783 | erot = 0.657379086770007 | epot = -15.3953770012299 | etot = -14.6424332455343 -54000 ekin = 0.102061477509349 | erot = 0.635035489168657 | epot = -15.3795302122191 | etot = -14.6424332455411 -55000 ekin = 0.108282960174 | erot = 0.611853171347175 | epot = -15.362569377067 | etot = -14.6424332455459 -56000 ekin = 0.114049426281782 | erot = 0.587982945924791 | epot = -15.344465617755 | etot = -14.6424332455484 -57000 ekin = 0.119155806186855 | erot = 0.56363525592402 | epot = -15.3252243076595 | etot = -14.6424332455486 -58000 ekin = 0.123384552305435 | erot = 0.539073355224031 | epot = -15.3048911530747 | etot = -14.6424332455452 -59000 ekin = 0.126526300954941 | erot = 0.514606324860987 | epot = -15.2835658713528 | etot = -14.6424332455369 -60000 ekin = 0.128404399836503 | erot = 0.490581338842511 | epot = -15.2614189842015 | etot = -14.6424332455224 -61000 ekin = 0.128898142362337 | erot = 0.467373892403714 | epot = -15.2387052802675 | etot = -14.6424332455015 -62000 ekin = 0.127959880290302 | erot = 0.445374820089113 | epot = -15.2157679458544 | etot = -14.6424332454749 -63000 ekin = 0.125622870624954 | erot = 0.424973765390048 | epot = -15.1930298814588 | etot = -14.6424332454438 -64000 ekin = 0.121999044843202 | erot = 0.406539918574853 | epot = -15.1709722088285 | etot = -14.6424332454104 -65000 ekin = 0.117268056619303 | erot = 0.390401831022836 | epot = -15.1501031330193 | etot = -14.6424332453771 -66000 ekin = 0.111660385257243 | erot = 0.376828594081003 | epot = -15.1309222246847 | etot = -14.6424332453465 -67000 ekin = 0.105437746905135 | erot = 0.366014539812687 | epot = -15.1138855320383 | etot = -14.6424332453205 -68000 ekin = 0.0988737375607857 | erot = 0.358069014156216 | epot = -15.0993759970176 | etot = -14.6424332453006 -69000 ekin = 0.0922368286502244 | erot = 0.353011948772493 | epot = -15.0876820227105 | etot = -14.6424332452877 -70000 ekin = 0.0857769015274457 | erot = 0.350775174164874 | epot = -15.0789853209744 | etot = -14.6424332452821 -71000 ekin = 0.0797156921642124 | erot = 0.35120884424483 | epot = -15.0733577816925 | etot = -14.6424332452834 -72000 ekin = 0.0742409440406404 | erot = 0.354092037745959 | epot = -15.0707662270775 | etot = -14.6424332452909 -73000 ekin = 0.069503749870144 | erot = 0.359146526959529 | epot = -15.0710835221333 | etot = -14.6424332453037 -74000 ekin = 0.0656184497423043 | erot = 0.36605276987658 | epot = -15.0741044649392 | etot = -14.6424332453203 -75000 ekin = 0.0626644690389273 | erot = 0.37446729003154 | epot = -15.07956500441 | etot = -14.6424332453395 -76000 ekin = 0.0606895535086071 | erot = 0.384040683400773 | epot = -15.0871634822692 | etot = -14.6424332453599 -77000 ekin = 0.0597139401235039 | erot = 0.394435495890113 | epot = -15.0965826813933 | etot = -14.6424332453797 -78000 ekin = 0.0597350629869167 | erot = 0.405343151479122 | epot = -15.1075114598641 | etot = -14.6424332453981 -79000 ekin = 0.0607324264355599 | erot = 0.416499017639979 | epot = -15.1196646894891 | etot = -14.6424332454136 -80000 ekin = 0.0626722904949853 | erot = 0.427694630236173 | epot = -15.1328001661567 | etot = -14.6424332454256 -81000 ekin = 0.0655118235328824 | erot = 0.438786127846776 | epot = -15.1467311968131 | etot = -14.6424332454334 -82000 ekin = 0.0692024020835959 | erot = 0.449698113828529 | epot = -15.1613337613492 | etot = -14.6424332454371 -83000 ekin = 0.0736917936906687 | erot = 0.460422490739007 | epot = -15.1765475298665 | etot = -14.6424332454368 -84000 ekin = 0.0789250526546792 | erot = 0.471012272293637 | epot = -15.1923705703818 | etot = -14.6424332454335 -85000 ekin = 0.0848440878750104 | erot = 0.481570908649218 | epot = -15.2088482419521 | etot = -14.6424332454279 -86000 ekin = 0.0913860133254689 | erot = 0.492238169205271 | epot = -15.226057427952 | etot = -14.6424332454213 -87000 ekin = 0.0984805441200107 | erot = 0.503174014616583 | epot = -15.2440878041518 | etot = -14.6424332454152 -88000 ekin = 0.106046830304303 | erot = 0.514542076496116 | epot = -15.2630221522109 | etot = -14.6424332454105 -89000 ekin = 0.113990204127989 | erot = 0.526494309539271 | epot = -15.2829177590758 | etot = -14.6424332454086 -90000 ekin = 0.122199339151899 | erot = 0.539158097285764 | epot = -15.3037906818476 | etot = -14.64243324541 -91000 ekin = 0.130544275971407 | erot = 0.552626637865788 | epot = -15.3256041592523 | etot = -14.6424332454151 -92000 ekin = 0.138875666148818 | erot = 0.566952900962214 | epot = -15.3482618125354 | etot = -14.6424332454244 -93000 ekin = 0.147025440614644 | erot = 0.58214693373749 | epot = -15.3716056197896 | etot = -14.6424332454375 -94000 ekin = 0.154808946847823 | erot = 0.598175891801268 | epot = -15.3954180841032 | etot = -14.6424332454541 -95000 ekin = 0.162028449602152 | erot = 0.6149659424539 | epot = -15.4194276375298 | etot = -14.6424332454737 -96000 ekin = 0.168477779667818 | erot = 0.632405154082103 | epot = -15.4433161792458 | etot = -14.6424332454959 -97000 ekin = 0.173947863026719 | erot = 0.6503466316284 | epot = -15.4667277401751 | etot = -14.64243324552 -98000 ekin = 0.178232875004241 | erot = 0.668611435746027 | epot = -15.4892775562957 | etot = -14.6424332455454 -99000 ekin = 0.181136831926352 | erot = 0.686991165056287 | epot = -15.5105612425543 | etot = -14.6424332455716 -100000 ekin = 0.182480533643596 | erot = 0.705250413407857 | epot = -15.5301641926494 | etot = -14.642433245598 -101000 ekin = 0.182108871451933 | erot = 0.723129571003271 | epot = -15.5476716880789 | etot = -14.6424332456237 -102000 ekin = 0.179898581170267 | erot = 0.740348571090405 | epot = -15.5626803979087 | etot = -14.642433245648 -103000 ekin = 0.175766517608083 | erot = 0.756612167825933 | epot = -15.5748119311038 | etot = -14.6424332456698 -104000 ekin = 0.169678431535444 | erot = 0.771617166851702 | epot = -15.5837288440751 | etot = -14.6424332456879 -105000 ekin = 0.161658036036865 | erot = 0.7850617429621 | epot = -15.5891530246999 | etot = -14.642433245701 -106000 ekin = 0.151795867650478 | erot = 0.796656613424693 | epot = -15.5908857267828 | etot = -14.6424332457076 -107000 ekin = 0.140257112952728 | erot = 0.806137449197324 | epot = -15.5888278078567 | etot = -14.6424332457066 -108000 ekin = 0.127287240201243 | erot = 0.813277564481201 | epot = -15.5829980503796 | etot = -14.6424332456971 -109000 ekin = 0.113214025490919 | erot = 0.817899691734526 | epot = -15.5735469629039 | etot = -14.6424332456785 -110000 ekin = 0.0984444823805245 | erot = 0.819885578054015 | epot = -15.5607633060855 | etot = -14.642433245651 -111000 ekin = 0.0834553769364607 | erot = 0.819182262545871 | epot = -15.5450708850979 | etot = -14.6424332456156 -112000 ekin = 0.0687764915871071 | erot = 0.815804215094497 | epot = -15.5270139522555 | etot = -14.6424332455739 -113000 ekin = 0.0549665904028951 | erot = 0.809830999844525 | epot = -15.5072308357758 | etot = -14.6424332455284 -114000 ekin = 0.0425830583120669 | erot = 0.801400700351035 | epot = -15.4864170041451 | etot = -14.642433245482 -115000 ekin = 0.032147280213268 | erot = 0.790699910049129 | epot = -15.4652804357002 | etot = -14.6424332454378 -116000 ekin = 0.0241087780345819 | erot = 0.777951546674794 | epot = -15.4444935701084 | etot = -14.642433245399 -117000 ekin = 0.0188117102728978 | erot = 0.763402004774129 | epot = -15.4246469604153 | etot = -14.6424332453683 -118000 ekin = 0.0164673894159088 | erot = 0.747309167857022 | epot = -15.4062098026202 | etot = -14.6424332453473 -119000 ekin = 0.0171359296532941 | erot = 0.72993256457545 | epot = -15.3895017395656 | etot = -14.6424332453369 -120000 ekin = 0.0207190822430537 | erot = 0.711526526250299 | epot = -15.3746788538304 | etot = -14.642433245337 -121000 ekin = 0.0269649552319852 | erot = 0.692336677373468 | epot = -15.3617348779521 | etot = -14.6424332453466 -122000 ekin = 0.035483922029777 | erot = 0.67259957021413 | epot = -15.3505167376078 | etot = -14.6424332453639 -123000 ekin = 0.0457738626451396 | erot = 0.652544850165462 | epot = -15.3407519581969 | etot = -14.6424332453863 -124000 ekin = 0.0572521324296494 | erot = 0.632399068066162 | epot = -15.3320844459073 | etot = -14.6424332454115 -125000 ekin = 0.069291373600259 | erot = 0.61239015618606 | epot = -15.324114775223 | etot = -14.6424332454366 -126000 ekin = 0.0812564128172871 | erot = 0.592751635109631 | epot = -15.3164412933861 | etot = -14.6424332454592 -127000 ekin = 0.0925398817823739 | erot = 0.573725774407947 | epot = -15.3086989016674 | etot = -14.642433245477 -128000 ekin = 0.102594692018531 | erot = 0.555565138943754 | epot = -15.3005930764508 | etot = -14.6424332454885 -129000 ekin = 0.110961953873463 | erot = 0.538532171478064 | epot = -15.2919273708439 | etot = -14.6424332454924 -130000 ekin = 0.117293279472126 | erot = 0.522896664453456 | epot = -15.2826231894135 | etot = -14.6424332454879 -131000 ekin = 0.121366644774015 | erot = 0.508931150171097 | epot = -15.2727310404202 | etot = -14.6424332454751 -132000 ekin = 0.123095155538849 | erot = 0.496904390905147 | epot = -15.2624327918983 | etot = -14.6424332454543 -133000 ekin = 0.122528239670492 | erot = 0.48707328299654 | epot = -15.2520347680937 | etot = -14.6424332454267 -134000 ekin = 0.119845042600695 | erot = 0.479673601169304 | epot = -15.2419518891638 | etot = -14.6424332453938 -135000 ekin = 0.115340171966309 | erot = 0.474910093714655 | epot = -15.2326835110385 | etot = -14.6424332453575 -136000 ekin = 0.10940241928465 | erot = 0.472946484072585 | epot = -15.2247821486776 | etot = -14.6424332453204 -137000 ekin = 0.102487634021819 | erot = 0.473895929917062 | epot = -15.2188168092236 | etot = -14.6424332452848 -138000 ekin = 0.0950874634047241 | erot = 0.477812435582801 | epot = -15.2153331442408 | etot = -14.6424332452533 -139000 ekin = 0.0876961121512828 | erot = 0.484683617748065 | epot = -15.2148129751279 | etot = -14.6424332452285 -140000 ekin = 0.0807775418431644 | erot = 0.494425108537532 | epot = -15.2176358955931 | etot = -14.6424332452124 -141000 ekin = 0.0747355681577843 | erot = 0.506876770807999 | epot = -15.2240455841725 | etot = -14.6424332452067 -142000 ekin = 0.0698891098450152 | erot = 0.521800821238859 | epot = -15.2341231762965 | etot = -14.6424332452126 -143000 ekin = 0.0664544171866109 | erot = 0.538881922424141 | epot = -15.2477695848412 | etot = -14.6424332452305 -144000 ekin = 0.0645355104692138 | erot = 0.557729316020268 | epot = -15.2646980717496 | etot = -14.6424332452601 -145000 ekin = 0.0641233595162975 | erot = 0.577881111412676 | epot = -15.2844377162296 | etot = -14.6424332453007 -146000 ekin = 0.065103607751526 | erot = 0.598810893851671 | epot = -15.3063477469538 | etot = -14.6424332453506 -147000 ekin = 0.067271957897368 | erot = 0.619936843681793 | epot = -15.3296420469867 | etot = -14.6424332454076 -148000 ekin = 0.070355749269213 | erot = 0.640633538190949 | epot = -15.3534225329294 | etot = -14.6424332454693 -149000 ekin = 0.0740398128642513 | erot = 0.660246523237734 | epot = -15.3767195816347 | etot = -14.6424332455327 -150000 ekin = 0.0779944201058762 | erot = 0.678109590376207 | epot = -15.398537256077 | etot = -14.6424332455949 -151000 ekin = 0.0819030604172403 | erot = 0.693564488648145 | epot = -15.4179007947184 | etot = -14.642433245653 -152000 ekin = 0.0854878938552698 | erot = 0.705982563003937 | epot = -15.4339037025634 | etot = -14.6424332457042 -153000 ekin = 0.0885310147328597 | erot = 0.714787575382121 | epot = -15.4457518358609 | etot = -14.6424332457459 -154000 ekin = 0.090890101288761 | erot = 0.719478762727545 | epot = -15.4528021097924 | etot = -14.6424332457761 -155000 ekin = 0.0925075703714592 | erot = 0.719653046097743 | epot = -15.4545938622626 | etot = -14.6424332457934 -156000 ekin = 0.0934129479728876 | erot = 0.715025243754007 | epot = -15.4508714375239 | etot = -14.642433245797 -157000 ekin = 0.093718743577964 | erot = 0.705445163946351 | epot = -15.4415971533109 | etot = -14.6424332457866 -158000 ekin = 0.0936106185393401 | erot = 0.690910554325733 | epot = -15.4269544186277 | etot = -14.6424332457627 -159000 ekin = 0.0933330174010976 | erot = 0.67157505165981 | epot = -15.407341314787 | etot = -14.6424332457261 -160000 ekin = 0.0931716565242302 | erot = 0.647750492120669 | epot = -15.3833553943233 | etot = -14.6424332456784 -161000 ekin = 0.093434329623141 | erot = 0.619903194016607 | epot = -15.3557707692612 | etot = -14.6424332456214 -162000 ekin = 0.0944314104804151 | erot = 0.588644098979629 | epot = -15.3255087550172 | etot = -14.6424332455572 -163000 ekin = 0.0964572425739466 | erot = 0.554712943453935 | epot = -15.293603431516 | etot = -14.6424332454881 -164000 ekin = 0.0997733472806099 | erot = 0.51895691856195 | epot = -15.2611635112594 | etot = -14.6424332454168 -165000 ekin = 0.104594102019908 | erot = 0.482304549422441 | epot = -15.2293318967882 | etot = -14.6424332453459 -166000 ekin = 0.111075276516248 | erot = 0.445735768512404 | epot = -15.1992442903064 | etot = -14.6424332452778 -167000 ekin = 0.119305597513578 | erot = 0.410249354728338 | epot = -15.1719881974571 | etot = -14.6424332452152 -168000 ekin = 0.129301354725085 | erot = 0.376829046178766 | epot = -15.1485636460642 | etot = -14.6424332451603 -169000 ekin = 0.141003965789751 | erot = 0.346409702527123 | epot = -15.129846913432 | etot = -14.6424332451151 -170000 ekin = 0.154280377439944 | erot = 0.319844892417983 | epot = -15.1165585149393 | etot = -14.6424332450814 -171000 ekin = 0.168926178621547 | erot = 0.29787722160694 | epot = -15.109236645289 | etot = -14.6424332450605 -172000 ekin = 0.184671319364516 | erot = 0.281112611137265 | epot = -15.1082171755549 | etot = -14.6424332450532 -173000 ekin = 0.201188345437126 | erot = 0.269999595570288 | epot = -15.1136211860671 | etot = -14.6424332450597 -174000 ekin = 0.218103052207045 | erot = 0.264814547402998 | epot = -15.1253508446899 | etot = -14.6424332450799 -175000 ekin = 0.235007413035636 | erot = 0.265653545950127 | epot = -15.1430942040986 | etot = -14.6424332451128 -176000 ekin = 0.25147453426793 | erot = 0.272431389432275 | epot = -15.1663391688573 | etot = -14.642433245157 -177000 ekin = 0.267075225143454 | erot = 0.284887984978814 | epot = -15.1943964553329 | etot = -14.6424332452106 -178000 ekin = 0.281395553895307 | erot = 0.302602030915426 | epot = -15.2264308300819 | etot = -14.6424332452711 -179000 ekin = 0.294054514411889 | erot = 0.325011526057921 | epot = -15.2614992858055 | etot = -14.6424332453357 -180000 ekin = 0.304720692896967 | erot = 0.351440214935869 | epot = -15.2985941532343 | etot = -14.6424332454015 -181000 ekin = 0.313126658918453 | erot = 0.381128639602711 | epot = -15.3366885439866 | etot = -14.6424332454655 -182000 ekin = 0.31907977582365 | erot = 0.413268071114184 | epot = -15.374781092463 | etot = -14.6424332455251 -183000 ekin = 0.322468290005793 | erot = 0.447035301736757 | epot = -15.4119368373208 | etot = -14.6424332455782 -184000 ekin = 0.323261947554702 | erot = 0.48162615508047 | epot = -15.4473213482582 | etot = -14.6424332456231 -185000 ekin = 0.321506983530858 | erot = 0.516285658867847 | epot = -15.4802258880574 | etot = -14.6424332456587 -186000 ekin = 0.317316057633713 | erot = 0.550333132629142 | epot = -15.5100824359478 | etot = -14.642433245685 -187000 ekin = 0.310854440590115 | erot = 0.583180936761995 | epot = -15.5364686230541 | etot = -14.642433245702 -188000 ekin = 0.302324329763978 | erot = 0.614346238385449 | epot = -15.55910381386 | etot = -14.6424332457106 -189000 ekin = 0.291949445197146 | erot = 0.643455779012842 | epot = -15.5778384699217 | etot = -14.6424332457117 -190000 ekin = 0.279961942768283 | erot = 0.670244185704452 | epot = -15.5926393741794 | etot = -14.6424332457066 -191000 ekin = 0.266593185653692 | erot = 0.694546781233374 | epot = -15.6035732125832 | etot = -14.6424332456962 -192000 ekin = 0.25206914162339 | erot = 0.716288088787003 | epot = -15.6107904760917 | etot = -14.6424332456813 -193000 ekin = 0.236610293254171 | erot = 0.73546730224254 | epot = -15.6145108411597 | etot = -14.642433245663 -194000 ekin = 0.220435149405134 | erot = 0.752141943027135 | epot = -15.615010338074 | etot = -14.6424332456418 -195000 ekin = 0.203765880093363 | erot = 0.766410799029957 | epot = -15.6126099247417 | etot = -14.6424332456184 -196000 ekin = 0.186834339037387 | erot = 0.778397083250795 | epot = -15.6076646678817 | etot = -14.6424332455935 -197000 ekin = 0.169886782294202 | erot = 0.788232586070606 | epot = -15.6005526139326 | etot = -14.6424332455678 -198000 ekin = 0.153185871078003 | erot = 0.796043434538988 | epot = -15.5916625511591 | etot = -14.6424332455421 -199000 ekin = 0.137008972987419 | erot = 0.801937915798975 | epot = -15.5813801343039 | etot = -14.6424332455175 -200000 ekin = 0.121642272364818 | erot = 0.80599667326165 | epot = -15.5700721911217 | etot = -14.6424332454952 -201000 ekin = 0.107370722656495 | erot = 0.808265456806725 | epot = -15.5580694249396 | etot = -14.6424332454764 -202000 ekin = 0.0944644042392259 | erot = 0.808750524309999 | epot = -15.5456481740113 | etot = -14.642433245462 -203000 ekin = 0.0831623790894052 | erot = 0.807416772443545 | epot = -15.5330123969864 | etot = -14.6424332454535 -204000 ekin = 0.0736556272335603 | erot = 0.804188725419786 | epot = -15.5202775981049 | etot = -14.6424332454515 -205000 ekin = 0.0660710401675988 | erot = 0.798954607355857 | epot = -15.50745889298 | etot = -14.6424332454565 -206000 ekin = 0.0604586317681712 | erot = 0.791573809424193 | epot = -15.4944656866606 | etot = -14.6424332454683 -207000 ekin = 0.0567840026883055 | erot = 0.781888054798429 | epot = -15.4811053029727 | etot = -14.642433245486 -208000 ekin = 0.0549275971601587 | erot = 0.769736381379669 | epot = -15.4670972240478 | etot = -14.6424332455079 -209000 ekin = 0.0546914447538068 | erot = 0.754973659533921 | epot = -15.4520983498196 | etot = -14.6424332455319 -210000 ekin = 0.0558130126775254 | erot = 0.737491764374774 | epot = -15.4357380226072 | etot = -14.6424332455549 -211000 ekin = 0.0579847210238465 | erot = 0.717241838880044 | epot = -15.417659805478 | etot = -14.6424332455741 -212000 ekin = 0.0608768356205403 | erot = 0.694255492639204 | epot = -15.3975655738466 | etot = -14.6424332455869 -213000 ekin = 0.0641610427083153 | erot = 0.66866247616333 | epot = -15.3752567644623 | etot = -14.6424332455907 -214000 ekin = 0.0675321043587494 | erot = 0.640702495517984 | epot = -15.3506678454611 | etot = -14.6424332455844 -215000 ekin = 0.070725533636796 | erot = 0.610729417267914 | epot = -15.3238881964721 | etot = -14.6424332455674 -216000 ekin = 0.0735300437834149 | erot = 0.579207054837064 | epot = -15.2951703441606 | etot = -14.6424332455401 -217000 ekin = 0.0757943994895872 | erot = 0.54669681320896 | epot = -15.2649244582023 | etot = -14.6424332455037 -218000 ekin = 0.0774290394184588 | erot = 0.513838451215604 | epot = -15.2337007360941 | etot = -14.6424332454601 -219000 ekin = 0.0784033323162054 | erot = 0.481325894960068 | epot = -15.2021624726878 | etot = -14.6424332454115 -220000 ekin = 0.0787395495628487 | erot = 0.449880299616969 | epot = -15.17105309454 | etot = -14.6424332453602 -221000 ekin = 0.0785046319692735 | erot = 0.420222425154563 | epot = -15.1411603024324 | etot = -14.6424332453086 -222000 ekin = 0.0778006814288913 | erot = 0.393045972165166 | epot = -15.113279898853 | etot = -14.642433245259 -223000 ekin = 0.0767549035403158 | erot = 0.368992968905282 | epot = -15.0881811176588 | etot = -14.6424332452132 -224000 ekin = 0.0755095293719617 | erot = 0.348631757026545 | epot = -15.0665745315715 | etot = -14.642433245173 -225000 ekin = 0.0742120885681049 | erot = 0.332437700423087 | epot = -15.0490830341314 | etot = -14.6424332451402 -226000 ekin = 0.0730063028703793 | erot = 0.320776497496347 | epot = -15.0362160454828 | etot = -14.642433245116 -227000 ekin = 0.072023814089001 | erot = 0.313889923623746 | epot = -15.0283469828147 | etot = -14.6424332451019 -228000 ekin = 0.0713769419944288 | erot = 0.311883945242982 | epot = -15.0256941323359 | etot = -14.6424332450985 -229000 ekin = 0.0711526728859999 | erot = 0.314719386436034 | epot = -15.0283053044286 | etot = -14.6424332451066 -230000 ekin = 0.0714080974064536 | erot = 0.322205638587354 | epot = -15.0360469811206 | etot = -14.6424332451268 -231000 ekin = 0.0721675361185164 | erot = 0.333998222200299 | epot = -15.0485990034776 | etot = -14.6424332451587 -232000 ekin = 0.0734216022897964 | erot = 0.349601270465511 | epot = -15.0654561179572 | etot = -14.6424332452019 -233000 ekin = 0.0751284397495126 | erot = 0.368376135876537 | epot = -15.0859378208814 | etot = -14.6424332452553 -234000 ekin = 0.0772173235430297 | erot = 0.389557254435315 | epot = -15.1092078232955 | etot = -14.6424332453172 -235000 ekin = 0.0795947059788122 | erot = 0.412276079792818 | epot = -15.134304031156 | etot = -14.6424332453844 -236000 ekin = 0.0821526186131207 | erot = 0.435593295650776 | epot = -15.1601791597182 | etot = -14.6424332454543 -237000 ekin = 0.0847791014223481 | erot = 0.458538653868279 | epot = -15.1857510008135 | etot = -14.6424332455229 -238000 ekin = 0.0873700423841474 | erot = 0.480156759890556 | epot = -15.2099600478608 | etot = -14.6424332455861 -239000 ekin = 0.0898415153120355 | erot = 0.499556095556555 | epot = -15.2318308565087 | etot = -14.6424332456401 -240000 ekin = 0.0921414623518661 | erot = 0.515957735404873 | epot = -15.250532443438 | etot = -14.6424332456813 -241000 ekin = 0.094259449012787 | erot = 0.528739776890155 | epot = -15.2654324716098 | etot = -14.6424332457068 -242000 ekin = 0.096233280586619 | erot = 0.537473606139462 | epot = -15.276140132441 | etot = -14.6424332457149 -243000 ekin = 0.0981515319325847 | erot = 0.5419487859829 | epot = -15.2825335636204 | etot = -14.642433245705 -244000 ekin = 0.100151482350113 | erot = 0.542184479376325 | epot = -15.2847692074041 | etot = -14.6424332456777 -245000 ekin = 0.102412491094949 | erot = 0.538426702319087 | epot = -15.283272439049 | etot = -14.6424332456349 -246000 ekin = 0.10514539554429 | erot = 0.531132085867033 | epot = -15.2787107269906 | etot = -14.6424332455793 -247000 ekin = 0.108578961411818 | erot = 0.520939994206916 | epot = -15.271952201133 | etot = -14.6424332455143 -248000 ekin = 0.112944688754722 | erot = 0.50863565229477 | epot = -15.2640135864931 | etot = -14.6424332454436 -249000 ekin = 0.118461348905716 | erot = 0.495107336752456 | epot = -15.2560019310293 | etot = -14.6424332453711 -250000 ekin = 0.12532051071417 | erot = 0.481300713195499 | epot = -15.2490544692103 | etot = -14.6424332453007 -251000 ekin = 0.133674056956426 | erot = 0.468173145421963 | epot = -15.2442804476139 | etot = -14.6424332452355 -252000 ekin = 0.143624355874462 | erot = 0.456650355971893 | epot = -15.2427079570251 | etot = -14.6424332451787 -253000 ekin = 0.155217400156355 | erot = 0.447587277163441 | epot = -15.2452379224524 | etot = -14.6424332451326 -254000 ekin = 0.168438906846642 | erot = 0.441734376015304 | epot = -15.2526065279605 | etot = -14.6424332450986 -255000 ekin = 0.183213121646742 | erot = 0.439710227351497 | epot = -15.2653565940763 | etot = -14.642433245078 -256000 ekin = 0.199403908834931 | erot = 0.441980689731482 | epot = -15.283817843638 | etot = -14.6424332450716 -257000 ekin = 0.216817638464837 | erot = 0.448844730303129 | epot = -15.3080956138476 | etot = -14.6424332450796 -258000 ekin = 0.235207399038858 | erot = 0.460426746273211 | epot = -15.3380673904137 | etot = -14.6424332451016 -259000 ekin = 0.254278151369372 | erot = 0.476675120646291 | epot = -15.3733865171527 | etot = -14.642433245137 -260000 ekin = 0.273692576680298 | erot = 0.497366691704061 | epot = -15.4134925135692 | etot = -14.6424332451849 -261000 ekin = 0.293077534076616 | erot = 0.522116767902342 | epot = -15.4576275472227 | etot = -14.6424332452438 -262000 ekin = 0.312031202024067 | erot = 0.550394247117877 | epot = -15.5048586944538 | etot = -14.6424332453119 -263000 ekin = 0.330131107619695 | erot = 0.581541281995867 | epot = -15.5541056350029 | etot = -14.6424332453873 -264000 ekin = 0.346943319973868 | erot = 0.614796773442828 | epot = -15.6041733388843 | etot = -14.6424332454676 -265000 ekin = 0.362033078258367 | erot = 0.649322794992396 | epot = -15.6537891188012 | etot = -14.6424332455505 -266000 ekin = 0.374977027500513 | erot = 0.684232889055324 | epot = -15.7016431621889 | etot = -14.6424332456331 -267000 ekin = 0.385377045185317 | erot = 0.718621072058556 | epot = -15.7464313629566 | etot = -14.6424332457127 -268000 ekin = 0.392875374680224 | erot = 0.75159036946148 | epot = -15.7868989899282 | etot = -14.6424332457865 -269000 ekin = 0.397170471139203 | erot = 0.782279784271994 | epot = -15.8218835012632 | etot = -14.642433245852 -270000 ekin = 0.39803266202809 | erot = 0.80988877167351 | epot = -15.8503546796086 | etot = -14.642433245907 -271000 ekin = 0.395318487598737 | erot = 0.833698516709663 | epot = -15.8714502502579 | etot = -14.6424332459495 -272000 ekin = 0.388982474352171 | erot = 0.853089551908401 | epot = -15.8845052722386 | etot = -14.6424332459781 -273000 ekin = 0.379085147931464 | erot = 0.867555470405014 | epot = -15.8890738643282 | etot = -14.6424332459917 -274000 ekin = 0.365796322193278 | erot = 0.876712662629274 | epot = -15.8849422308128 | etot = -14.6424332459903 -275000 ekin = 0.349393082921568 | erot = 0.880306121913762 | epot = -15.8721324508092 | etot = -14.6424332459739 -276000 ekin = 0.330252358905702 | erot = 0.878211432148943 | epot = -15.8508970369982 | etot = -14.6424332459435 -277000 ekin = 0.308838461220239 | erot = 0.870433084876928 | epot = -15.8217047919976 | etot = -14.6424332459005 -278000 ekin = 0.285686394604133 | erot = 0.857099294885134 | epot = -15.7852189353358 | etot = -14.6424332458465 -279000 ekin = 0.261382042766456 | erot = 0.838453513181018 | epot = -15.7422688017312 | etot = -14.6424332457837 -280000 ekin = 0.236540473325989 | erot = 0.814842890587939 | epot = -15.6938166096284 | etot = -14.6424332457145 -281000 ekin = 0.21178360260805 | erot = 0.78670403285838 | epot = -15.6409208811075 | etot = -14.6424332456411 -282000 ekin = 0.187718337271923 | erot = 0.754546508157667 | epot = -15.5846980909958 | etot = -14.6424332455662 -283000 ekin = 0.164916115090819 | erot = 0.71893470884518 | epot = -15.5262840694281 | etot = -14.6424332454921 -284000 ekin = 0.143894549221734 | erot = 0.680468811939341 | epot = -15.4667966065823 | etot = -14.6424332454212 -285000 ekin = 0.125101678372309 | erot = 0.639765701847639 | epot = -15.4073006255757 | etot = -14.6424332453557 -286000 ekin = 0.108903164107404 | erot = 0.597440790010452 | epot = -15.3487771994147 | etot = -14.6424332452969 -287000 ekin = 0.0955726645551871 | erot = 0.554091668604971 | epot = -15.2920975784065 | etot = -14.6424332452464 -288000 ekin = 0.0852855448006991 | erot = 0.510284456822087 | epot = -15.2380032468277 | etot = -14.6424332452049 -289000 ekin = 0.0781160413102893 | erot = 0.466543535623136 | epot = -15.1870928221065 | etot = -14.6424332451731 -290000 ekin = 0.0740379578618401 | erot = 0.42334512758908 | epot = -15.1398163306018 | etot = -14.6424332451509 -291000 ekin = 0.07292891006337 | erot = 0.381114879437427 | epot = -15.0964770346384 | etot = -14.6424332451376 -292000 ekin = 0.074578035792751 | erot = 0.340229271737877 | epot = -15.0572405526631 | etot = -14.6424332451324 -293000 ekin = 0.0786969407539187 | erot = 0.301020346548478 | epot = -15.0221505324364 | etot = -14.642433245134 -294000 ekin = 0.0849334564702348 | erot = 0.263782947588673 | epot = -14.9911496491996 | etot = -14.6424332451407 -295000 ekin = 0.0928875723607527 | erot = 0.228783448806945 | epot = -14.9641042663184 | etot = -14.6424332451507 -296000 ekin = 0.10212869750719 | erot = 0.19626884038739 | epot = -14.9408307830571 | etot = -14.6424332451625 -297000 ekin = 0.112213252496714 | erot = 0.166475068218874 | epot = -14.92112156589 | etot = -14.6424332451744 -298000 ekin = 0.122701527066799 | erot = 0.139633685446924 | epot = -14.9047684576991 | etot = -14.6424332451854 -299000 ekin = 0.133172792910571 | erot = 0.115976150690183 | epot = -14.8915821887951 | etot = -14.6424332451943 -300000 ekin = 0.14323783970709 | erot = 0.0957354521215423 | epot = -14.8814065370293 | etot = -14.6424332452007 -301000 ekin = 0.152548387988443 | erot = 0.0791450908732833 | epot = -14.8741267240661 | etot = -14.6424332452044 -302000 ekin = 0.16080318429946 | erot = 0.0664357608562006 | epot = -14.8696721903613 | etot = -14.6424332452056 -303000 ekin = 0.167750948486619 | erot = 0.0578302677257533 | epot = -14.868014461417 | etot = -14.6424332452046 -304000 ekin = 0.173190665587062 | erot = 0.0535373136372916 | epot = -14.8691612244265 | etot = -14.6424332452021 -305000 ekin = 0.176969952948875 | erot = 0.053744740290904 | epot = -14.8731479384385 | etot = -14.6424332451987 -306000 ekin = 0.17898236329054 | erot = 0.0586126977876512 | epot = -14.8800283062731 | etot = -14.6424332451949 -307000 ekin = 0.179164502944013 | erot = 0.0682670321056721 | epot = -14.8898647802412 | etot = -14.6424332451915 -308000 ekin = 0.177493763288032 | erot = 0.0827930029186384 | epot = -14.9027200113955 | etot = -14.6424332451889 -309000 ekin = 0.173987301150973 | erot = 0.102229291870626 | epot = -14.9186498382088 | etot = -14.6424332451872 -310000 ekin = 0.168702678647183 | erot = 0.126562162216031 | epot = -14.9376980860501 | etot = -14.6424332451869 -311000 ekin = 0.161740297008921 | erot = 0.155719593406505 | epot = -14.9598931356033 | etot = -14.6424332451879 -312000 ekin = 0.15324744012493 | erot = 0.189565237977707 | epot = -14.985245923293 | etot = -14.6424332451904 -313000 ekin = 0.143423389996968 | erot = 0.227892126760359 | epot = -15.0137487619517 | etot = -14.6424332451944 -314000 ekin = 0.132524706018471 | erot = 0.270416174780379 | epot = -15.0453741259986 | etot = -14.6424332451997 -315000 ekin = 0.120869409552547 | erot = 0.316769708289002 | epot = -15.0800723630487 | etot = -14.6424332452072 -316000 ekin = 0.108838546104732 | erot = 0.3664954379943 | epot = -15.117767229316 | etot = -14.642433245217 -317000 ekin = 0.0968734934277273 | erot = 0.419041536809115 | epot = -15.1583482754667 | etot = -14.6424332452299 -318000 ekin = 0.0854675378549808 | erot = 0.473758725764069 | epot = -15.2016595088657 | etot = -14.6424332452466 -319000 ekin = 0.0751507271451904 | erot = 0.529900497448209 | epot = -15.2474844698619 | etot = -14.6424332452685 -320000 ekin = 0.0664678443364339 | erot = 0.586627760739843 | epot = -15.2955288503729 | etot = -14.6424332452966 -321000 ekin = 0.0599504590563242 | erot = 0.643019202691524 | epot = -15.3454029070797 | etot = -14.6424332453318 -322000 ekin = 0.0560852142799999 | erot = 0.698088453267007 | epot = -15.3966069129217 | etot = -14.6424332453747 -323000 ekin = 0.0552815181248962 | erot = 0.750808639916083 | epot = -15.4485234034659 | etot = -14.6424332454249 -324000 ekin = 0.0578423255205682 | erot = 0.800144112657402 | epot = -15.5004196836594 | etot = -14.6424332454815 -325000 ekin = 0.0639414864634509 | erot = 0.845088070114915 | epot = -15.5514628021208 | etot = -14.6424332455424 -326000 ekin = 0.0736101694210092 | erot = 0.884703689967185 | epot = -15.6007471049934 | etot = -14.6424332456052 -327000 ekin = 0.0867333560897029 | erot = 0.918165419812939 | epot = -15.6473320215696 | etot = -14.642433245667 -328000 ekin = 0.103055779603997 | erot = 0.944796600223848 | epot = -15.6902856255527 | etot = -14.6424332457249 -329000 ekin = 0.122195446170794 | erot = 0.964099781594435 | epot = -15.7287284735416 | etot = -14.6424332457764 -330000 ekin = 0.143662406710256 | erot = 0.975776996237332 | epot = -15.7618726487672 | etot = -14.6424332458196 -331000 ekin = 0.166880785133597 | erot = 0.979738667517973 | epot = -15.7890526985047 | etot = -14.6424332458531 -332000 ekin = 0.191212923969949 | erot = 0.976101405902857 | epot = -15.8097475757491 | etot = -14.6424332458763 -333000 ekin = 0.215985355319607 | erot = 0.965176233539026 | epot = -15.8235948347474 | etot = -14.6424332458887 -334000 ekin = 0.24051665683118 | erot = 0.94744948511249 | epot = -15.8303993878336 | etot = -14.64243324589 -335000 ekin = 0.264146896086271 | erot = 0.923558676868031 | epot = -15.8301388188342 | etot = -14.6424332458799 -336000 ekin = 0.286267467754269 | erot = 0.894265184760613 | epot = -15.8229658983735 | etot = -14.6424332458586 -337000 ekin = 0.306349134750126 | erot = 0.860424939336685 | epot = -15.809207319913 | etot = -14.6424332458262 -338000 ekin = 0.323965497674733 | erot = 0.822957838322781 | epot = -15.7893565817813 | etot = -14.6424332457838 -339000 ekin = 0.338809250789021 | erot = 0.782816380150505 | epot = -15.7640588766724 | etot = -14.6424332457329 -340000 ekin = 0.350699444233775 | erot = 0.74095414130314 | epot = -15.7340868312126 | etot = -14.6424332456757 -341000 ekin = 0.359579293536528 | erot = 0.698295027831883 | epot = -15.7003075669831 | etot = -14.6424332456146 -342000 ekin = 0.365505462154955 | erot = 0.655704542035024 | epot = -15.6636432497426 | etot = -14.6424332455526 -343000 ekin = 0.36863083266141 | erot = 0.613964463465585 | epot = -15.6250285416196 | etot = -14.6424332454926 -344000 ekin = 0.369183369589239 | erot = 0.57375227308083 | epot = -15.5853688881069 | etot = -14.6424332454368 -345000 ekin = 0.367443732824309 | erot = 0.535626361233186 | epot = -15.5455033394448 | etot = -14.6424332453873 -346000 ekin = 0.363723933131786 | erot = 0.500017626276236 | epot = -15.5061748047535 | etot = -14.6424332453455 -347000 ekin = 0.35834870527769 | erot = 0.4672275854273 | epot = -15.468009536017 | etot = -14.642433245312 -348000 ekin = 0.351640582954847 | erot = 0.437432666908131 | epot = -15.4315064951499 | etot = -14.6424332452869 -349000 ekin = 0.34390902469482 | erot = 0.410693986169958 | epot = -15.3970362561344 | etot = -14.6424332452696 -350000 ekin = 0.335443435968795 | erot = 0.386971649880754 | epot = -15.3648483311092 | etot = -14.6424332452597 -351000 ekin = 0.326509584093778 | erot = 0.366142474251534 | epot = -15.3350853036005 | etot = -14.6424332452552 -352000 ekin = 0.317348699022206 | erot = 0.348019930401133 | epot = -15.3078018746784 | etot = -14.642433245255 -353000 ekin = 0.308178466648759 | erot = 0.332375117501959 | epot = -15.2829868294085 | etot = -14.6424332452578 -354000 ekin = 0.299195119854398 | erot = 0.318957598139 | epot = -15.2605859632553 | etot = -14.6424332452619 -355000 ekin = 0.290575888248861 | erot = 0.307515001370351 | epot = -15.2405241348854 | etot = -14.6424332452662 -356000 ekin = 0.282481160312499 | erot = 0.297810406217201 | epot = -15.2227248117992 | etot = -14.6424332452695 -357000 ekin = 0.275055828993794 | erot = 0.289636664277844 | epot = -15.2071257385429 | etot = -14.6424332452713 -358000 ekin = 0.268429427254947 | erot = 0.282827006912201 | epot = -15.1936896794382 | etot = -14.6424332452711 -359000 ekin = 0.262714810201774 | erot = 0.277261507857975 | epot = -15.1824095633287 | etot = -14.642433245269 -360000 ekin = 0.258005302569451 | erot = 0.272869227748628 | epot = -15.1733077755836 | etot = -14.6424332452655 -361000 ekin = 0.2543704006218 | erot = 0.26962613780198 | epot = -15.1664297836851 | etot = -14.6424332452613 -362000 ekin = 0.251850290178673 | erot = 0.267549186087919 | epot = -15.1618327215239 | etot = -14.6424332452573 -363000 ekin = 0.250449609862776 | erot = 0.266687109597444 | epot = -15.159569964715 | etot = -14.6424332452548 -364000 ekin = 0.250131041863364 | erot = 0.267108788857685 | epot = -15.1596730759762 | etot = -14.6424332452551 -365000 ekin = 0.250809442162096 | erot = 0.268890073927981 | epot = -15.1621327613494 | etot = -14.6424332452593 -366000 ekin = 0.252347318763382 | erot = 0.27210007300604 | epot = -15.1668806370379 | etot = -14.6424332452684 -367000 ekin = 0.254552520178544 | erot = 0.276787886819364 | epot = -15.1737736522811 | etot = -14.6424332452832 -368000 ekin = 0.25717899615333 | erot = 0.28297069952372 | epot = -15.1825829409812 | etot = -14.6424332453042 -369000 ekin = 0.259931424908739 | erot = 0.290624011143398 | epot = -15.1929886813831 | etot = -14.642433245331 -370000 ekin = 0.262474349326661 | erot = 0.299674631814961 | epot = -15.2045822265049 | etot = -14.6424332453633 -371000 ekin = 0.264446209428328 | erot = 0.309996869297309 | epot = -15.2168763241252 | etot = -14.6424332453996 -372000 ekin = 0.265478281861457 | erot = 0.321412142686622 | epot = -15.2293236699864 | etot = -14.6424332454383 -373000 ekin = 0.265218028290062 | erot = 0.333692059448684 | epot = -15.2413433332161 | etot = -14.6424332454774 -374000 ekin = 0.263355721247738 | erot = 0.346564809671242 | epot = -15.2523537764331 | etot = -14.6424332455141 -375000 ekin = 0.259652497500791 | erot = 0.359724567998139 | epot = -15.2618103110451 | etot = -14.6424332455462 -376000 ekin = 0.253967268934329 | erot = 0.372843454384676 | epot = -15.2692439688901 | etot = -14.6424332455711 -377000 ekin = 0.246279333497668 | erot = 0.385585491299172 | epot = -15.2742980703837 | etot = -14.6424332455868 -378000 ekin = 0.236703249874173 | erot = 0.397621906702945 | epot = -15.2767584021691 | etot = -14.642433245592 -379000 ekin = 0.225492756940715 | erot = 0.40864706693682 | epot = -15.2765730694637 | etot = -14.6424332455862 -380000 ekin = 0.213031377534926 | erot = 0.418394279001937 | epot = -15.2738589021068 | etot = -14.64243324557 -381000 ekin = 0.199808877311648 | erot = 0.426650676217097 | epot = -15.2688927990735 | etot = -14.6424332455448 -382000 ekin = 0.186384809014953 | erot = 0.433270396060973 | epot = -15.2620884505889 | etot = -14.642433245513 -383000 ekin = 0.173342616140324 | erot = 0.438185279055512 | epot = -15.2539611406731 | etot = -14.6424332454773 -384000 ekin = 0.161239700828068 | erot = 0.441412371407278 | epot = -15.2450853176757 | etot = -14.6424332454403 -385000 ekin = 0.15055995464472 | erot = 0.443057612556829 | epot = -15.2360508126064 | etot = -14.6424332454049 -386000 ekin = 0.141675129696858 | erot = 0.443315241526512 | epot = -15.2274236165962 | etot = -14.6424332453728 -387000 ekin = 0.134820015696242 | erot = 0.442462667351568 | epot = -15.219715928393 | etot = -14.6424332453452 -388000 ekin = 0.130083976412365 | erot = 0.440850813515941 | epot = -15.2133680352507 | etot = -14.6424332453224 -389000 ekin = 0.127418570237209 | erot = 0.438890246280336 | epot = -15.2087420618216 | etot = -14.6424332453041 -390000 ekin = 0.126658423092949 | erot = 0.437033702086702 | epot = -15.2061253704692 | etot = -14.6424332452896 -391000 ekin = 0.127550804261054 | erot = 0.435755902066146 | epot = -15.2057399516053 | etot = -14.6424332452781 -392000 ekin = 0.129788752936042 | erot = 0.435531744058158 | epot = -15.2077537422634 | etot = -14.6424332452692 -393000 ekin = 0.133043055316548 | erot = 0.436814065077171 | epot = -15.2122903656559 | etot = -14.6424332452622 -394000 ekin = 0.13698956146631 | erot = 0.440012156509963 | epot = -15.2194349632336 | etot = -14.6424332452574 -395000 ekin = 0.141329833042578 | erot = 0.445472096884894 | epot = -15.2292351751821 | etot = -14.6424332452547 -396000 ekin = 0.145804542777388 | erot = 0.453459767648299 | epot = -15.2416975556806 | etot = -14.6424332452549 -397000 ekin = 0.150200153188693 | erot = 0.464147173461362 | epot = -15.2567805719085 | etot = -14.6424332452585 -398000 ekin = 0.154350089766171 | erot = 0.477602441558455 | epot = -15.2743857765907 | etot = -14.642433245266 -399000 ekin = 0.158131920622385 | erot = 0.493783661155615 | epot = -15.2943488270562 | etot = -14.6424332452782 -400000 ekin = 0.161462056173815 | erot = 0.512536568006289 | epot = -15.3164318694755 | etot = -14.6424332452954 -401000 ekin = 0.164289301181092 | erot = 0.533595989002424 | epot = -15.3403185355012 | etot = -14.6424332453177 -402000 ekin = 0.166588323050712 | erot = 0.556590928839782 | epot = -15.3656124972355 | etot = -14.642433245345 -403000 ekin = 0.168353810379714 | erot = 0.581053183644432 | epot = -15.3918402394011 | etot = -14.642433245377 -404000 ekin = 0.169595821301209 | erot = 0.606429376023235 | epot = -15.4184584427372 | etot = -14.6424332454128 -405000 ekin = 0.170336578562032 | erot = 0.632096292540657 | epot = -15.444866116554 | etot = -14.6424332454513 -406000 ekin = 0.170608761978825 | erot = 0.65737934451492 | epot = -15.4704213519851 | etot = -14.6424332454913 -407000 ekin = 0.170455178567339 | erot = 0.681573854094692 | epot = -15.4944622781935 | etot = -14.6424332455315 -408000 ekin = 0.169929554809768 | erot = 0.703968692151365 | epot = -15.5163314925311 | etot = -14.64243324557 -409000 ekin = 0.169098093451402 | erot = 0.723871579521667 | epot = -15.5354029185781 | etot = -14.642433245605 -410000 ekin = 0.168041369040766 | erot = 0.740635137248604 | epot = -15.5511097519242 | etot = -14.6424332456348 -411000 ekin = 0.166856102809042 | erot = 0.753682569971378 | epot = -15.5629719184381 | etot = -14.6424332456577 -412000 ekin = 0.165656359033244 | erot = 0.762531725093222 | epot = -15.5706213297988 | etot = -14.6424332456723 -413000 ekin = 0.164573741711754 | erot = 0.766816218739629 | epot = -15.5738232061291 | etot = -14.6424332456777 -414000 ekin = 0.16375624095788 | erot = 0.76630237757158 | epot = -15.5724918642026 | etot = -14.6424332456731 -415000 ekin = 0.163365479945841 | erot = 0.760900920224475 | epot = -15.5666996458289 | etot = -14.6424332456586 -416000 ekin = 0.163572240094564 | erot = 0.750672586698962 | epot = -15.556678072428 | etot = -14.6424332456344 -417000 ekin = 0.164550286199959 | erot = 0.735827297890632 | epot = -15.5428108296923 | etot = -14.6424332456017 -418000 ekin = 0.166468663393417 | erot = 0.716716857299964 | epot = -15.5256187662552 | etot = -14.6424332455618 -419000 ekin = 0.169482781127086 | erot = 0.693821649098622 | epot = -15.5057376757421 | etot = -14.6424332455164 -420000 ekin = 0.173724722667741 | erot = 0.667732191682839 | epot = -15.4838901598183 | etot = -14.6424332454677 -421000 ekin = 0.179293310761204 | erot = 0.639126725581036 | epot = -15.4608532817599 | etot = -14.6424332454176 -422000 ekin = 0.186244514521543 | erot = 0.608746211198846 | epot = -15.4374239710891 | etot = -14.6424332453687 -423000 ekin = 0.19458279814717 | erot = 0.57736816557662 | epot = -15.4143842090468 | etot = -14.642433245323 -424000 ekin = 0.204253993032132 | erot = 0.545780680985193 | epot = -15.3924679192997 | etot = -14.6424332452824 -425000 ekin = 0.215140228919715 | erot = 0.514757766830946 | epot = -15.372331240999 | etot = -14.6424332452483 -426000 ekin = 0.227057395200036 | erot = 0.485036881514114 | epot = -15.3545275219361 | etot = -14.6424332452219 -427000 ekin = 0.239755526228613 | erot = 0.45729922156058 | epot = -15.3394879929935 | etot = -14.6424332452043 -428000 ekin = 0.252922416271937 | erot = 0.432153058133966 | epot = -15.3275087196017 | etot = -14.6424332451958 -429000 ekin = 0.26619066718155 | erot = 0.410120192007268 | epot = -15.318744104385 | etot = -14.6424332451962 -430000 ekin = 0.279148248287638 | erot = 0.391625457761839 | epot = -15.313206951255 | etot = -14.6424332452055 -431000 ekin = 0.291352495295118 | erot = 0.376989149810355 | epot = -15.310774890328 | etot = -14.6424332452226 -432000 ekin = 0.302347287571226 | erot = 0.366422254466054 | epot = -15.3112027872841 | etot = -14.6424332452468 -433000 ekin = 0.311682921771869 | erot = 0.360024429012261 | epot = -15.31414059606 | etot = -14.6424332452759 -434000 ekin = 0.318937954387437 | erot = 0.357784738270616 | epot = -15.3191559379665 | etot = -14.6424332453085 -435000 ekin = 0.323742037714879 | erot = 0.359585207272693 | epot = -15.3257604903309 | etot = -14.6424332453433 -436000 ekin = 0.325798554031361 | erot = 0.365207245305615 | epot = -15.3334390447156 | etot = -14.6424332453787 -437000 ekin = 0.324905697097351 | erot = 0.3743409223498 | epot = -15.3416798648587 | etot = -14.6424332454115 -438000 ekin = 0.320974589858406 | erot = 0.386596930160279 | epot = -15.3500047654589 | etot = -14.6424332454403 -439000 ekin = 0.314043077746411 | erot = 0.401520852185304 | epot = -15.3579971753956 | etot = -14.6424332454639 -440000 ekin = 0.304283988020589 | erot = 0.418609132213777 | epot = -15.3653263657149 | etot = -14.6424332454805 -441000 ekin = 0.292006859111662 | erot = 0.43732591619283 | epot = -15.3717660207935 | etot = -14.642433245489 -442000 ekin = 0.277652365815121 | erot = 0.457119792518649 | epot = -15.3772054038233 | etot = -14.6424332454895 -443000 ekin = 0.261778853590793 | erot = 0.477439412175561 | epot = -15.3816515112488 | etot = -14.6424332454825 -444000 ekin = 0.245040553434287 | erot = 0.497747053376211 | epot = -15.3852208522799 | etot = -14.6424332454694 -445000 ekin = 0.228157260420329 | erot = 0.517529408202232 | epot = -15.3881199140743 | etot = -14.6424332454517 -446000 ekin = 0.21187568172941 | erot = 0.536305196856337 | epot = -15.3906141240179 | etot = -14.6424332454322 -447000 ekin = 0.196923472681482 | erot = 0.553629632753198 | epot = -15.3929863508487 | etot = -14.642433245414 -448000 ekin = 0.183958277880817 | erot = 0.569096233370736 | epot = -15.3954877566523 | etot = -14.6424332454007 -449000 ekin = 0.173515771313228 | erot = 0.5823369471514 | epot = -15.3982859638601 | etot = -14.6424332453955 -450000 ekin = 0.165962361199431 | erot = 0.593021970145669 | epot = -15.4014175767459 | etot = -14.6424332454008 -451000 ekin = 0.161459280835244 | erot = 0.600860851249224 | epot = -15.4047533775022 | etot = -14.6424332454178 -452000 ekin = 0.159944578253892 | erot = 0.605606408076117 | epot = -15.4079842317756 | etot = -14.6424332454456 -453000 ekin = 0.16113765311534 | erot = 0.607062496367839 | epot = -15.410633394965 | etot = -14.6424332454818 -454000 ekin = 0.164567591513356 | erot = 0.605095779305886 | epot = -15.4120966163412 | etot = -14.642433245522 -455000 ekin = 0.169622334209554 | erot = 0.599650455421075 | epot = -15.4117060351916 | etot = -14.642433245561 -456000 ekin = 0.175611802350678 | erot = 0.590763702894336 | epot = -15.4088087508385 | etot = -14.6424332455934 -457000 ekin = 0.18183562198226 | erot = 0.578578749363001 | epot = -15.40284761696 | etot = -14.6424332456148 -458000 ekin = 0.187645727030885 | erot = 0.563352302649156 | epot = -15.3934312753017 | etot = -14.6424332456216 -459000 ekin = 0.192495880384903 | erot = 0.54545371714944 | epot = -15.380382843147 | etot = -14.6424332456127 -460000 ekin = 0.195973381637231 | erot = 0.525354597711837 | epot = -15.3637612249374 | etot = -14.6424332455883 -461000 ekin = 0.19781192099122 | erot = 0.503609203464113 | epot = -15.3438543700065 | etot = -14.6424332455512 -462000 ekin = 0.197887724919132 | erot = 0.48082756028462 | epot = -15.3211485307077 | etot = -14.642433245504 -463000 ekin = 0.196203198485173 | erot = 0.457644248438995 | epot = -15.2962806923752 | etot = -14.642433245451 -464000 ekin = 0.192863034125907 | erot = 0.434686220431767 | epot = -15.2699824999538 | etot = -14.6424332453961 -465000 ekin = 0.188047435822224 | erot = 0.412542760093908 | epot = -15.2430234412587 | etot = -14.6424332453426 -466000 ekin = 0.181986107552777 | erot = 0.391740010674779 | epot = -15.2161593635208 | etot = -14.6424332452933 -467000 ekin = 0.174935400197989 | erot = 0.372721626737635 | epot = -15.1900902721858 | etot = -14.6424332452502 -468000 ekin = 0.167159826102147 | erot = 0.355836258353843 | epot = -15.1654293296706 | etot = -14.6424332452146 -469000 ekin = 0.158918218022594 | erot = 0.341331890767393 | epot = -15.142683353977 | etot = -14.642433245187 -470000 ekin = 0.15045418565321 | erot = 0.329356584635604 | epot = -15.122244015456 | etot = -14.6424332451672 -471000 ekin = 0.141990180749419 | erot = 0.319964871778363 | epot = -15.1043882976826 | etot = -14.6424332451548 -472000 ekin = 0.133724353868213 | erot = 0.313128906246296 | epot = -15.0892865052631 | etot = -14.6424332451486 -473000 ekin = 0.125829398101872 | erot = 0.30875339232503 | epot = -15.0770160355745 | etot = -14.6424332451476 -474000 ekin = 0.118452666363189 | erot = 0.306693264414343 | epot = -15.0675791759279 | etot = -14.6424332451504 -475000 ekin = 0.111716976218893 | erot = 0.306773053291024 | epot = -15.0609232746654 | etot = -14.6424332451555 -476000 ekin = 0.105721655633223 | erot = 0.308806833537924 | epot = -15.0569617343329 | etot = -14.6424332451618 -477000 ekin = 0.100543523675712 | erot = 0.312617617130677 | epot = -15.0555943859742 | etot = -14.6424332451678 -478000 ekin = 0.0962376398644513 | erot = 0.318055055635923 | epot = -15.0567259406731 | etot = -14.6424332451728 -479000 ekin = 0.0928377950023785 | erot = 0.325010357031079 | epot = -15.0602813972093 | etot = -14.6424332451759 -480000 ekin = 0.090356854634411 | erot = 0.33342742776467 | epot = -15.0662175275758 | etot = -14.6424332451768 -481000 ekin = 0.0887871989354817 | erot = 0.343309423711643 | epot = -15.0745298678222 | etot = -14.6424332451751 -482000 ekin = 0.0881016191313876 | erot = 0.354720133059481 | epot = -15.0852549973622 | etot = -14.6424332451713 -483000 ekin = 0.0882551127429665 | erot = 0.367779908275322 | epot = -15.0984682661839 | etot = -14.6424332451656 -484000 ekin = 0.0891880440123839 | erot = 0.382656193510897 | epot = -15.1142774826821 | etot = -14.6424332451588 -485000 ekin = 0.0908310739090705 | erot = 0.399549033149946 | epot = -15.1328133522104 | etot = -14.6424332451514 -486000 ekin = 0.0931120890965814 | erot = 0.418672269927034 | epot = -15.154217604168 | etot = -14.6424332451444 -487000 ekin = 0.095965052636228 | erot = 0.440231422325024 | epot = -15.1786297200999 | etot = -14.6424332451386 -488000 ekin = 0.0993402613831294 | erot = 0.46439945138847 | epot = -15.2061729579066 | etot = -14.642433245135 -489000 ekin = 0.103214957393527 | erot = 0.491291775407073 | epot = -15.2369399779351 | etot = -14.6424332451345 -490000 ekin = 0.107602676592558 | erot = 0.520941965501705 | epot = -15.2709778872323 | etot = -14.6424332451381 -491000 ekin = 0.112559247659628 | erot = 0.553279563920015 | epot = -15.3082720567265 | etot = -14.6424332451469 -492000 ekin = 0.118183136718373 | erot = 0.588111425310959 | epot = -15.3487278071917 | etot = -14.6424332451624 -493000 ekin = 0.124608040121095 | erot = 0.625107908280837 | epot = -15.392149193588 | etot = -14.642433245186 -494000 ekin = 0.131986393307407 | erot = 0.663795156036258 | epot = -15.4382147945633 | etot = -14.6424332452196 -495000 ekin = 0.140463823895335 | erot = 0.703554605722134 | epot = -15.4864516748823 | etot = -14.6424332452649 -496000 ekin = 0.150146408031538 | erot = 0.743630741562818 | epot = -15.5362103949173 | etot = -14.642433245323 -497000 ekin = 0.16106457906771 | erot = 0.783147917316484 | epot = -15.5866457417788 | etot = -14.6424332453946 -498000 ekin = 0.17313921915462 | erot = 0.821136754970969 | epot = -15.6367092196046 | etot = -14.642433245479 -499000 ekin = 0.186156317831562 | erot = 0.856570103854254 | epot = -15.6851596672598 | etot = -14.642433245574 -500000 ekin = 0.199756195068111 | erot = 0.888407758271 | epot = -15.7305971990146 | etot = -14.6424332456755 -501000 ekin = 0.213441517837515 | erot = 0.91564807872929 | epot = -15.7715228423448 | etot = -14.642433245778 -502000 ekin = 0.226605416599129 | erot = 0.937383433645168 | epot = -15.8064220961188 | etot = -14.6424332458745 -503000 ekin = 0.238577508979587 | erot = 0.952855183120512 | epot = -15.833865938058 | etot = -14.6424332459579 -504000 ekin = 0.248682347019072 | erot = 0.961503066783608 | epot = -15.852618659824 | etot = -14.6424332460214 -505000 ekin = 0.256302488972932 | erot = 0.963003656361611 | epot = -15.8617393913938 | etot = -14.6424332460593 -506000 ekin = 0.260937583147984 | erot = 0.957293217915285 | epot = -15.8606640471316 | etot = -14.6424332460684 -507000 ekin = 0.262251679303336 | erot = 0.944571918253111 | epot = -15.849256843604 | etot = -14.6424332460476 -508000 ekin = 0.260103184115659 | erot = 0.925288564928836 | epot = -15.8278249950432 | etot = -14.6424332459987 -509000 ekin = 0.254554875284732 | erot = 0.900107536932193 | epot = -15.7970956581424 | etot = -14.6424332459255 -510000 ekin = 0.245864483352383 | erot = 0.869861717979723 | epot = -15.7581594471658 | etot = -14.6424332458337 -511000 ekin = 0.234458914530911 | erot = 0.835496660120876 | epot = -15.7123888203816 | etot = -14.6424332457298 -512000 ekin = 0.220896820243761 | erot = 0.798011684060442 | epot = -15.6613417499246 | etot = -14.6424332456204 -513000 ekin = 0.205824805091364 | erot = 0.758403224573062 | epot = -15.6066612751764 | etot = -14.642433245512 -514000 ekin = 0.189932244119323 | erot = 0.717614706855288 | epot = -15.5499801963845 | etot = -14.6424332454099 -515000 ekin = 0.17390874820257 | erot = 0.676495918867881 | epot = -15.4928379123889 | etot = -14.6424332453184 -516000 ekin = 0.158407108511426 | erot = 0.635773516021008 | epot = -15.4366138697731 | etot = -14.6424332452406 -517000 ekin = 0.14401335018595 | erot = 0.596033149114218 | epot = -15.3824797444788 | etot = -14.6424332451787 -518000 ekin = 0.131224514119687 | erot = 0.557712825685522 | epot = -15.3313705849381 | etot = -14.6424332451329 -519000 ekin = 0.120434042407135 | erot = 0.521106495594791 | epot = -15.283973783105 | etot = -14.6424332451031 -520000 ekin = 0.111924165177655 | erot = 0.486376443197342 | epot = -15.2407338534629 | etot = -14.6424332450879 -521000 ekin = 0.105864424816476 | erot = 0.453572806058521 | epot = -15.2018704759605 | etot = -14.6424332450855 -522000 ekin = 0.102315362067652 | erot = 0.422658367130085 | epot = -15.1674069742913 | etot = -14.6424332450936 -523000 ekin = 0.101236366465111 | erot = 0.393536647096003 | epot = -15.1372062586706 | etot = -14.6424332451095 -524000 ekin = 0.102496717236374 | erot = 0.366081244307575 | epot = -15.1110112066745 | etot = -14.6424332451305 -525000 ekin = 0.105888887335369 | erot = 0.340164343214287 | epot = -15.0884864757035 | etot = -14.6424332451539 -526000 ekin = 0.111143247849981 | erot = 0.315682368378401 | epot = -15.069258861406 | etot = -14.6424332451776 -527000 ekin = 0.117943398961218 | erot = 0.292576937806713 | epot = -15.0529535819675 | etot = -14.6424332451996 -528000 ekin = 0.12594147425438 | erot = 0.270849598243415 | epot = -15.0392243177162 | etot = -14.6424332452184 -529000 ekin = 0.134772916008765 | erot = 0.250569317238797 | epot = -15.0277754784806 | etot = -14.642433245233 -530000 ekin = 0.144070383401974 | erot = 0.231872340651149 | epot = -15.0183759692965 | etot = -14.6424332452434 -531000 ekin = 0.15347660196879 | erot = 0.214954741433796 | epot = -15.0108645886522 | etot = -14.6424332452496 -532000 ekin = 0.162656054077 | erot = 0.200058697647209 | epot = -15.0051479969762 | etot = -14.642433245252 -533000 ekin = 0.171305419079586 | erot = 0.187454143182299 | epot = -15.0011928075133 | etot = -14.6424332452514 -534000 ekin = 0.179162595538566 | erot = 0.177417842692211 | epot = -14.9990136834797 | etot = -14.6424332452489 -535000 ekin = 0.186014006484961 | erot = 0.170212094440673 | epot = -14.9986593461708 | etot = -14.6424332452451 -536000 ekin = 0.191699759238903 | erot = 0.166065149224394 | epot = -15.0001981537044 | etot = -14.6424332452411 -537000 ekin = 0.196116169930247 | erot = 0.165155084977408 | epot = -15.003704500145 | etot = -14.6424332452374 -538000 ekin = 0.199215220532698 | erot = 0.16759836456926 | epot = -15.0092468303366 | etot = -14.6424332452346 -539000 ekin = 0.201000709668931 | erot = 0.173443713615155 | epot = -15.0168776685175 | etot = -14.6424332452334 -540000 ekin = 0.201521164037735 | erot = 0.182671367030103 | epot = -15.0266257763018 | etot = -14.642433245234 -541000 ekin = 0.200859940141597 | erot = 0.195197211440054 | epot = -15.0384903968184 | etot = -14.6424332452368 -542000 ekin = 0.199123298889485 | erot = 0.210880936221537 | epot = -15.0524374803529 | etot = -14.6424332452419 -543000 ekin = 0.196427519384797 | erot = 0.229537017788178 | epot = -15.0683977824221 | etot = -14.6424332452491 -544000 ekin = 0.192886294946265 | erot = 0.250947202002037 | epot = -15.0862667422075 | etot = -14.6424332452592 -545000 ekin = 0.188599710888657 | erot = 0.274873110236047 | epot = -15.105906066396 | etot = -14.6424332452713 -546000 ekin = 0.183646045244013 | erot = 0.301067663120938 | epot = -15.1271469536504 | etot = -14.6424332452855 -547000 ekin = 0.178077473819967 | erot = 0.329284179376605 | epot = -15.1497948984979 | etot = -14.6424332453014 -548000 ekin = 0.171920510268461 | erot = 0.359282253787744 | epot = -15.1736360093748 | etot = -14.6424332453186 -549000 ekin = 0.165181670578861 | erot = 0.390829837836081 | epot = -15.1984447537512 | etot = -14.6424332453363 -550000 ekin = 0.157858408655945 | erot = 0.423701326923182 | epot = -15.2239929809331 | etot = -14.642433245354 -551000 ekin = 0.149954809005839 | erot = 0.457671882722358 | epot = -15.2500599370991 | etot = -14.6424332453709 -552000 ekin = 0.141500835822421 | erot = 0.492508662666581 | epot = -15.2764427438753 | etot = -14.6424332453863 -553000 ekin = 0.132573145480449 | erot = 0.527960055130409 | epot = -15.3029664460102 | etot = -14.6424332453994 -554000 ekin = 0.123314645146745 | erot = 0.563744383275535 | epot = -15.3294922738321 | etot = -14.6424332454099 -555000 ekin = 0.113949270900184 | erot = 0.599539792629149 | epot = -15.3559223089468 | etot = -14.6424332454175 -556000 ekin = 0.104788088804101 | erot = 0.634977129568617 | epot = -15.3821984637955 | etot = -14.6424332454228 -557000 ekin = 0.096223065473816 | erot = 0.669637513728817 | epot = -15.4082938246293 | etot = -14.6424332454266 -558000 ekin = 0.0887059614381205 | erot = 0.703055990484285 | epot = -15.4341951973531 | etot = -14.6424332454307 -559000 ekin = 0.0827118847691962 | erot = 0.734732129427077 | epot = -15.4598772596334 | etot = -14.6424332454371 -560000 ekin = 0.0786899547209169 | erot = 0.764147748401263 | epot = -15.4852709485701 | etot = -14.6424332454479 -561000 ekin = 0.0770067720584255 | erot = 0.790791153077886 | epot = -15.5102311706012 | etot = -14.6424332454649 -562000 ekin = 0.0778911706718282 | erot = 0.814186471630634 | epot = -15.5345108877914 | etot = -14.6424332454889 -563000 ekin = 0.0813901113631115 | erot = 0.83392592548433 | epot = -15.557749282367 | etot = -14.6424332455196 -564000 ekin = 0.0873448530183196 | erot = 0.849702302566903 | epot = -15.57948040114 | etot = -14.6424332455547 -565000 ekin = 0.0953935152513145 | erot = 0.861338569498428 | epot = -15.5991653303408 | etot = -14.6424332455911 -566000 ekin = 0.105001366117329 | erot = 0.868811531658717 | epot = -15.6162461434001 | etot = -14.642433245624 -567000 ekin = 0.115514789209051 | erot = 0.872266750929858 | epot = -15.6302147857878 | etot = -14.6424332456489 -568000 ekin = 0.126230320989268 | erot = 0.872022546763063 | epot = -15.6406861134137 | etot = -14.6424332456614 -569000 ekin = 0.136467575204541 | erot = 0.868561781940356 | epot = -15.6474626028035 | etot = -14.6424332456586 -570000 ekin = 0.14563482322856 | erot = 0.862511177265558 | epot = -15.6505792461336 | etot = -14.6424332456395 -571000 ekin = 0.153278250259509 | erot = 0.854608991359196 | epot = -15.6503204872237 | etot = -14.642433245605 -572000 ekin = 0.159109636953315 | erot = 0.84566291861986 | epot = -15.6472058011309 | etot = -14.6424332455578 -573000 ekin = 0.163011362016618 | erot = 0.836500892323047 | epot = -15.6419454998422 | etot = -14.6424332455025 -574000 ekin = 0.165021239079159 | erot = 0.827918058208187 | epot = -15.635372542732 | etot = -14.6424332454446 -575000 ekin = 0.165302195907322 | erot = 0.820623479706763 | epot = -15.6283589210038 | etot = -14.6424332453898 -576000 ekin = 0.164102988099574 | erot = 0.815190165400983 | epot = -15.621726398844 | etot = -14.6424332453435 -577000 ekin = 0.161716152385172 | erot = 0.812011817945883 | epot = -15.6161612156416 | etot = -14.6424332453106 -578000 ekin = 0.158438569369477 | erot = 0.811269345695122 | epot = -15.6121411603591 | etot = -14.6424332452945 -579000 ekin = 0.154538688866709 | erot = 0.812909695780285 | epot = -15.6098816299442 | etot = -14.6424332452972 -580000 ekin = 0.150232988451571 | erot = 0.816638977240369 | epot = -15.609305211011 | etot = -14.642433245319 -581000 ekin = 0.145672809811868 | erot = 0.821931135408533 | epot = -15.6100371905791 | etot = -14.6424332453587 -582000 ekin = 0.140941476788303 | erot = 0.828052590347458 | epot = -15.6114273125488 | etot = -14.6424332454131 -583000 ekin = 0.136060602595946 | erot = 0.834102246892096 | epot = -15.6125960949662 | etot = -14.6424332454781 -584000 ekin = 0.131003759893458 | erot = 0.839065139153303 | epot = -15.6125021445952 | etot = -14.6424332455484 -585000 ekin = 0.12571521648007 | erot = 0.841876757443486 | epot = -15.6100252195418 | etot = -14.6424332456182 -586000 ekin = 0.120131224766287 | erot = 0.841493945660819 | epot = -15.6040584161085 | etot = -14.6424332456814 -587000 ekin = 0.11420138056985 | erot = 0.836967317747627 | epot = -15.5936019440499 | etot = -14.6424332457324 -588000 ekin = 0.107907808224915 | erot = 0.827509595977126 | epot = -15.5778506499685 | etot = -14.6424332457665 -589000 ekin = 0.101280337908428 | erot = 0.812554260667712 | epot = -15.5562678443564 | etot = -14.6424332457802 -590000 ekin = 0.0944063548781052 | erot = 0.791799488415071 | epot = -15.5286390890649 | etot = -14.6424332457717 -591000 ekin = 0.0874345511050671 | erot = 0.765233519218362 | epot = -15.4951013160642 | etot = -14.6424332457407 -592000 ekin = 0.0805723392089649 | erot = 0.733139214280964 | epot = -15.4561447991789 | etot = -14.642433245689 -593000 ekin = 0.0740771594091136 | erot = 0.696077455345172 | epot = -15.4125878603738 | etot = -14.6424332456195 -594000 ekin = 0.0682423089615399 | erot = 0.654850963355347 | epot = -15.3655265178539 | etot = -14.642433245537 -595000 ekin = 0.0633782539034779 | erot = 0.610451848321571 | epot = -15.3162633476718 | etot = -14.6424332454467 -596000 ekin = 0.0597906540673611 | erot = 0.563997548399802 | epot = -15.2662214478219 | etot = -14.6424332453547 -597000 ekin = 0.0577565493650921 | erot = 0.516660644083595 | epot = -15.2168504387157 | etot = -14.642433245267 -598000 ekin = 0.0575003158564784 | erot = 0.469598294353525 | epot = -15.1695318553992 | etot = -14.6424332451892 -599000 ekin = 0.0591710965315349 | erot = 0.423886769451421 | epot = -15.125491111109 | etot = -14.6424332451261 -600000 ekin = 0.0628234356919278 | erot = 0.380465849282147 | epot = -15.0857225300552 | etot = -14.6424332450811 -601000 ekin = 0.0684027903404539 | erot = 0.340096852289996 | epot = -15.0509328876871 | etot = -14.6424332450566 -602000 ekin = 0.0757374499151871 | erot = 0.303336891509908 | epot = -15.0215075864782 | etot = -14.6424332450531 -603000 ekin = 0.0845381560125591 | erot = 0.27053072625361 | epot = -14.9975021273357 | etot = -14.6424332450695 -604000 ekin = 0.0944063594091915 | erot = 0.241820347964647 | epot = -14.9786599524771 | etot = -14.6424332451032 -605000 ekin = 0.104851562461362 | erot = 0.217171224792199 | epot = -14.9644560324035 | etot = -14.64243324515 -606000 ekin = 0.115317556390045 | erot = 0.196412930357212 | epot = -14.9541637319514 | etot = -14.6424332452042 -607000 ekin = 0.125216580352904 | erot = 0.179290709848448 | epot = -14.9469405354612 | etot = -14.6424332452598 -608000 ekin = 0.133969542489652 | erot = 0.165523445158619 | epot = -14.9419262329586 | etot = -14.6424332453103 -609000 ekin = 0.141049537027137 | erot = 0.154862582265986 | epot = -14.9383453646425 | etot = -14.6424332453493 -610000 ekin = 0.146025095174201 | erot = 0.147146040889238 | epot = -14.9356043814352 | etot = -14.6424332453717 -611000 ekin = 0.148599079333767 | erot = 0.142341118194411 | epot = -14.933373442902 | etot = -14.6424332453738 -612000 ekin = 0.148639027540153 | erot = 0.140571068728021 | epot = -14.9316433416219 | etot = -14.6424332453538 -613000 ekin = 0.146195193891304 | erot = 0.142121441396014 | epot = -14.9307498805999 | etot = -14.6424332453126 -614000 ekin = 0.141503544703229 | erot = 0.147424293659367 | epot = -14.931361083616 | etot = -14.6424332452534 -615000 ekin = 0.134972482668101 | erot = 0.157020849768253 | epot = -14.9344265776178 | etot = -14.6424332451814 -616000 ekin = 0.127153892886448 | erot = 0.171505679771477 | epot = -14.9410928177618 | etot = -14.6424332451039 -617000 ekin = 0.118700960496736 | erot = 0.191457667913385 | epot = -14.9525918734389 | etot = -14.6424332450288 -618000 ekin = 0.110316794782069 | erot = 0.217364584488849 | epot = -14.9701146242352 | etot = -14.6424332449643 -619000 ekin = 0.10269894266683 | erot = 0.249548776230041 | epot = -14.9946809638151 | etot = -14.6424332449182 -620000 ekin = 0.0964852203328795 | erot = 0.288101317489107 | epot = -15.0270197827187 | etot = -14.6424332448967 -621000 ekin = 0.0922059091544532 | erot = 0.332831044362015 | epot = -15.0674701984206 | etot = -14.6424332449041 -622000 ekin = 0.0902463647123495 | erot = 0.38323345185745 | epot = -15.1159130615123 | etot = -14.6424332449425 -623000 ekin = 0.0908226920728683 | erot = 0.438482716260395 | epot = -15.1717386533448 | etot = -14.6424332450115 -624000 ekin = 0.093971606254935 | erot = 0.497448307332334 | epot = -15.2338531586955 | etot = -14.6424332451083 -625000 ekin = 0.0995541611253139 | erot = 0.558735886776706 | epot = -15.3007232931298 | etot = -14.6424332452277 -626000 ekin = 0.107271859328534 | erot = 0.620750477448395 | epot = -15.3704555821401 | etot = -14.6424332453632 -627000 ekin = 0.116692826740249 | erot = 0.681778220893157 | epot = -15.4409042931398 | etot = -14.6424332455064 -628000 ekin = 0.127285245275924 | erot = 0.740081431761873 | epot = -15.5097999226864 | etot = -14.6424332456486 -629000 ekin = 0.138455039155856 | erot = 0.794000196763613 | epot = -15.5748884817005 | etot = -14.642433245781 -630000 ekin = 0.149584842938721 | erot = 0.842052640234425 | epot = -15.6340707290684 | etot = -14.6424332458952 -631000 ekin = 0.160071499854236 | erot = 0.883025442873649 | epot = -15.6855301887126 | etot = -14.6424332459847 -632000 ekin = 0.169359720293564 | erot = 0.91604650342356 | epot = -15.7278394697617 | etot = -14.6424332460446 -633000 ekin = 0.176970053692923 | erot = 0.940632922939441 | epot = -15.7600362227046 | etot = -14.6424332460723 -634000 ekin = 0.182519961289934 | erot = 0.956709735134031 | epot = -15.7816629424917 | etot = -14.6424332460677 -635000 ekin = 0.185737466035253 | erot = 0.964597760207907 | epot = -15.7927684722764 | etot = -14.6424332460332 -636000 ekin = 0.18646751930257 | erot = 0.964972204259268 | epot = -15.793872969535 | etot = -14.6424332459731 -637000 ekin = 0.184671774603444 | erot = 0.958796660380516 | epot = -15.7859016808771 | etot = -14.6424332458931 -638000 ekin = 0.18042282577675 | erot = 0.947239527077747 | epot = -15.7700955986542 | etot = -14.6424332457997 -639000 ekin = 0.173894119063336 | erot = 0.931581224201453 | epot = -15.7479085889647 | etot = -14.6424332456999 -640000 ekin = 0.165346701826116 | erot = 0.913120838758794 | epot = -15.7209007861851 | etot = -14.6424332456002 -641000 ekin = 0.155113786101916 | erot = 0.89309006009493 | epot = -15.690637091703 | etot = -14.6424332455061 -642000 ekin = 0.143583869242389 | erot = 0.87258071031098 | epot = -15.6585978249756 | etot = -14.6424332454222 -643000 ekin = 0.131182953687747 | erot = 0.852490168058439 | epot = -15.6261063670979 | etot = -14.6424332453517 -644000 ekin = 0.118356305759423 | erot = 0.833486853993461 | epot = -15.5942764050496 | etot = -14.6424332452967 -645000 ekin = 0.105550209083462 | erot = 0.815995971214927 | epot = -15.5639794255562 | etot = -14.6424332452578 -646000 ekin = 0.0931942744180316 | erot = 0.800204061932273 | epot = -15.5358315815851 | etot = -14.6424332452348 -647000 ekin = 0.0816850001788887 | erot = 0.786079744440846 | epot = -15.5101979898461 | etot = -14.6424332452264 -648000 ekin = 0.0713713598428991 | erot = 0.773407243192036 | epot = -15.4872118482655 | etot = -14.6424332452306 -649000 ekin = 0.0625431628711377 | erot = 0.761828976528719 | epot = -15.4668053846447 | etot = -14.6424332452448 -650000 ekin = 0.0554227735500933 | erot = 0.75089345341146 | epot = -15.4487494722279 | etot = -14.6424332452664 -651000 ekin = 0.0501605027659751 | erot = 0.740104978445454 | epot = -15.4326987265037 | etot = -14.6424332452922 -652000 ekin = 0.0468336713668763 | erot = 0.728972100417424 | epot = -15.4182390171038 | etot = -14.6424332453195 -653000 ekin = 0.0454490492582802 | erot = 0.717052285941716 | epot = -15.4049345805454 | etot = -14.6424332453455 -654000 ekin = 0.0459481524955786 | erot = 0.703990869780758 | epot = -15.392372267644 | etot = -14.6424332453677 -655000 ekin = 0.0482147495301334 | erot = 0.689552835103776 | epot = -15.3802008300181 | etot = -14.6424332453842 -656000 ekin = 0.0520838761279773 | erot = 0.673646332746782 | epot = -15.3681634542682 | etot = -14.6424332453934 -657000 ekin = 0.0573516620866903 | erot = 0.656337023113106 | epot = -15.3561219305943 | etot = -14.6424332453945 -658000 ekin = 0.0637853134946501 | erot = 0.637852348217965 | epot = -15.3440709070998 | etot = -14.6424332453872 -659000 ekin = 0.071132670288702 | erot = 0.618574815847019 | epot = -15.3321407315078 | etot = -14.6424332453721 -660000 ekin = 0.0791308828115974 | erot = 0.599023454708769 | epot = -15.3205875828708 | etot = -14.6424332453504 -661000 ekin = 0.0875139366244701 | erot = 0.579822939748188 | epot = -15.3097701216973 | etot = -14.6424332453246 -662000 ekin = 0.0960190004205403 | erot = 0.561660610348952 | epot = -15.3001128560671 | etot = -14.6424332452976 -663000 ekin = 0.104391848885285 | erot = 0.545232746056431 | epot = -15.2920578402148 | etot = -14.642433245273 -664000 ekin = 0.112391863389559 | erot = 0.531182949320054 | epot = -15.2860080579644 | etot = -14.6424332452547 -665000 ekin = 0.119797262719833 | erot = 0.520037124798717 | epot = -15.2822676327648 | etot = -14.6424332452462 -666000 ekin = 0.126411190061272 | erot = 0.512141060962375 | epot = -15.2809854962742 | etot = -14.6424332452505 -667000 ekin = 0.132069035722133 | erot = 0.507607681730257 | epot = -15.2821099627219 | etot = -14.6424332452695 -668000 ekin = 0.136646914538578 | erot = 0.50628131575487 | epot = -15.2853614755967 | etot = -14.6424332453033 -669000 ekin = 0.14007061600892 | erot = 0.507725566171504 | epot = -15.290229427531 | etot = -14.6424332453506 -670000 ekin = 0.142323740902298 | erot = 0.511239425097736 | epot = -15.2959964114079 | etot = -14.6424332454078 -671000 ekin = 0.143453306298631 | erot = 0.515903234043245 | epot = -15.3017897858122 | etot = -14.6424332454703 -672000 ekin = 0.143571012728183 | erot = 0.520652256715692 | epot = -15.3066565149759 | etot = -14.642433245532 -673000 ekin = 0.142848733833163 | erot = 0.524371563353989 | epot = -15.309653542774 | etot = -14.6424332455869 -674000 ekin = 0.141507613274597 | erot = 0.526002362927265 | epot = -15.3099432218308 | etot = -14.6424332456289 -675000 ekin = 0.139801302823325 | erot = 0.52464762902093 | epot = -15.3068821774981 | etot = -14.6424332456538 -676000 ekin = 0.137995095209364 | erot = 0.51966443903789 | epot = -15.3000927799057 | etot = -14.6424332456584 -677000 ekin = 0.136343677284965 | erot = 0.510732098514629 | epot = -15.2895090214414 | etot = -14.6424332456418 -678000 ekin = 0.135070664123434 | erot = 0.497888575253593 | epot = -15.275392484982 | etot = -14.6424332456049 -679000 ekin = 0.134352810446671 | erot = 0.481532294130257 | epot = -15.2583183501274 | etot = -14.6424332455504 -680000 ekin = 0.134310862658399 | erot = 0.462390968603737 | epot = -15.2391350767444 | etot = -14.6424332454823 -681000 ekin = 0.135007638926426 | erot = 0.441462941784009 | epot = -15.2189038261157 | etot = -14.6424332454053 -682000 ekin = 0.136452461528327 | erot = 0.419938865037714 | epot = -15.1988245718906 | etot = -14.6424332453245 -683000 ekin = 0.138609887401881 | erot = 0.399112293315981 | epot = -15.180155425963 | etot = -14.6424332452451 -684000 ekin = 0.141410065652151 | erot = 0.380287181763355 | epot = -15.1641304925875 | etot = -14.642433245172 -685000 ekin = 0.144758102725857 | erot = 0.364688846300657 | epot = -15.1518801941363 | etot = -14.6424332451098 -686000 ekin = 0.148540467122566 | erot = 0.353383275615777 | epot = -15.1443569878012 | etot = -14.6424332450628 -687000 ekin = 0.152627512101214 | erot = 0.347208212231946 | epot = -15.1422689693676 | etot = -14.6424332450344 -688000 ekin = 0.156872371009962 | erot = 0.34671840827179 | epot = -15.1460240243092 | etot = -14.6424332450275 -689000 ekin = 0.161107527975645 | erot = 0.352146941115415 | epot = -15.1556877141346 | etot = -14.6424332450435 -690000 ekin = 0.165141087380615 | erot = 0.363384304941253 | epot = -15.1709586374049 | etot = -14.642433245083 -691000 ekin = 0.16875504264815 | erot = 0.379976931154794 | epot = -15.1911652189476 | etot = -14.6424332451446 -692000 ekin = 0.171707649701913 | erot = 0.401146558394978 | epot = -15.2152874533223 | etot = -14.6424332452254 -693000 ekin = 0.173741393440548 | erot = 0.425831232784737 | epot = -15.242005871546 | etot = -14.6424332453207 -694000 ekin = 0.174597110621582 | erot = 0.452747528135183 | epot = -15.2697778841809 | etot = -14.6424332454241 -695000 ekin = 0.174033757468543 | erot = 0.480471830916593 | epot = -15.2969388339132 | etot = -14.6424332455281 -696000 ekin = 0.171852263360719 | erot = 0.507536398151815 | epot = -15.3218219071368 | etot = -14.6424332456242 -697000 ekin = 0.167921065286729 | erot = 0.532533688686105 | epot = -15.3428879996772 | etot = -14.6424332457043 -698000 ekin = 0.162200409472839 | erot = 0.554220619917834 | epot = -15.3588542751518 | etot = -14.6424332457611 -699000 ekin = 0.154762415711639 | erot = 0.571613361020687 | epot = -15.368809022521 | etot = -14.6424332457887 -700000 ekin = 0.145804230005146 | erot = 0.584063387080839 | epot = -15.3723008628696 | etot = -14.6424332457836 -701000 ekin = 0.13565226955545 | erot = 0.591306922714551 | epot = -15.3693924380152 | etot = -14.6424332457452 -702000 ekin = 0.124756460204928 | erot = 0.593482464342697 | epot = -15.3606721702232 | etot = -14.6424332456756 -703000 ekin = 0.113674325949402 | erot = 0.59111440185125 | epot = -15.3472219733801 | etot = -14.6424332455794 -704000 ekin = 0.103045675944469 | erot = 0.585064323191519 | epot = -15.3305432445998 | etot = -14.6424332454638 -705000 ekin = 0.0935593581959462 | erot = 0.576454826530277 | epot = -15.3124474300635 | etot = -14.6424332453373 -706000 ekin = 0.0859140824288432 | erot = 0.566573150252908 | epot = -15.2949204778911 | etot = -14.6424332452093 -707000 ekin = 0.0807756759568232 | erot = 0.55676342760618 | epot = -15.279972348653 | etot = -14.64243324509 -708000 ekin = 0.0787333622616465 | erot = 0.54831685528832 | epot = -15.2694834625381 | etot = -14.6424332449882 -709000 ekin = 0.0802577669172614 | erot = 0.542368667951201 | epot = -15.2650596797804 | etot = -14.642433244912 -710000 ekin = 0.0856633545554371 | erot = 0.539809747046566 | epot = -15.2679063464696 | etot = -14.6424332448676 -711000 ekin = 0.0950778519056249 | erot = 0.541219180888583 | epot = -15.2787302776533 | etot = -14.642433244859 -712000 ekin = 0.108420876625254 | erot = 0.546822307908553 | epot = -15.2976764294217 | etot = -14.6424332448878 -713000 ekin = 0.125393451698048 | erot = 0.556476834654628 | epot = -15.3243035313057 | etot = -14.642433244953 -714000 ekin = 0.145479367624672 | erot = 0.569687600116107 | epot = -15.3576002127918 | etot = -14.642433245051 -715000 ekin = 0.167958541120004 | erot = 0.585648522299775 | epot = -15.396040308596 | etot = -14.6424332451762 -716000 ekin = 0.191931735854258 | erot = 0.603308292528111 | epot = -15.4376732737035 | etot = -14.6424332453212 -717000 ekin = 0.216355400179739 | erot = 0.621454592033966 | epot = -15.4802432376909 | etot = -14.6424332454772 -718000 ekin = 0.240085056513045 | erot = 0.638810139728873 | epot = -15.5213284418766 | etot = -14.6424332456347 -719000 ekin = 0.261925698577652 | erot = 0.654132895984068 | epot = -15.5584918403458 | etot = -14.6424332457841 -720000 ekin = 0.280687969313521 | erot = 0.666312379865826 | epot = -15.5894335950958 | etot = -14.6424332459165 -721000 ekin = 0.295249345590636 | erot = 0.674454385927398 | epot = -15.6121369775414 | etot = -14.6424332460234 -722000 ekin = 0.304619886334687 | erot = 0.677947410255859 | epot = -15.6250005426882 | etot = -14.6424332460976 -723000 ekin = 0.308011983728321 | erot = 0.676505724572276 | epot = -15.6269509544342 | etot = -14.6424332461336 -724000 ekin = 0.304912667284023 | erot = 0.670186105902545 | epot = -15.6175320193137 | etot = -14.6424332461272 -725000 ekin = 0.295155116710468 | erot = 0.659377522493427 | epot = -15.5969658852801 | etot = -14.6424332460762 -726000 ekin = 0.278983134898227 | erot = 0.644765363163313 | epot = -15.5661817440425 | etot = -14.6424332459809 -727000 ekin = 0.257098790791736 | erot = 0.62727386036856 | epot = -15.5268058970048 | etot = -14.6424332458445 -728000 ekin = 0.230680158271606 | erot = 0.607992016186632 | epot = -15.4811054201315 | etot = -14.6424332456733 -729000 ekin = 0.201354496272774 | erot = 0.58808946404084 | epot = -15.4318772057915 | etot = -14.6424332454779 -730000 ekin = 0.171114103975002 | erot = 0.568729214722098 | epot = -15.3822765639698 | etot = -14.6424332452727 -731000 ekin = 0.142168923907796 | erot = 0.550984135076758 | epot = -15.33558630406 | etot = -14.6424332450754 -732000 ekin = 0.116742007096204 | erot = 0.535763349049472 | epot = -15.2949386010509 | etot = -14.6424332449052 -733000 ekin = 0.096829302753487 | erot = 0.523753647326654 | epot = -15.2630161948605 | etot = -14.6424332447804 -734000 ekin = 0.0839596135584424 | erot = 0.515379592342729 | epot = -15.2417724506162 | etot = -14.642433244715 -735000 ekin = 0.0789983701762927 | erot = 0.510784464199122 | epot = -15.2322160790918 | etot = -14.6424332447164 -736000 ekin = 0.0820355551920711 | erot = 0.509832642268435 | epot = -15.2343014422439 | etot = -14.6424332447834 -737000 ekin = 0.0923827123854171 | erot = 0.512132550856583 | epot = -15.2469485081483 | etot = -14.6424332449063 -738000 ekin = 0.108680448513047 | erot = 0.517077971027771 | epot = -15.2681916646097 | etot = -14.6424332450689 -739000 ekin = 0.12909371568261 | erot = 0.523904364926295 | epot = -15.2954313258598 | etot = -14.6424332452509 -740000 ekin = 0.151555277793257 | erot = 0.531755895778738 | epot = -15.325744419004 | etot = -14.642433245432 -741000 ekin = 0.174012721805987 | erot = 0.539758083452137 | epot = -15.3562040508521 | etot = -14.642433245594 -742000 ekin = 0.194640916830775 | erot = 0.54709054969783 | epot = -15.3841647122517 | etot = -14.6424332457231 -743000 ekin = 0.211995737397994 | erot = 0.55305412533586 | epot = -15.4074831085444 | etot = -14.6424332458105 -744000 ekin = 0.225100508722061 | erot = 0.557126762308091 | epot = -15.4246605168829 | etot = -14.6424332458528 -745000 ekin = 0.233469424485911 | erot = 0.559003260237678 | epot = -15.4349059305744 | etot = -14.6424332458508 -746000 ekin = 0.237079913464194 | erot = 0.558614810498956 | epot = -15.4381279697723 | etot = -14.6424332458091 -747000 ekin = 0.236308652984083 | erot = 0.556125790082259 | epot = -15.4348676888015 | etot = -14.6424332457352 -748000 ekin = 0.231845097887127 | erot = 0.551907079329901 | epot = -15.4261854228554 | etot = -14.6424332456383 -749000 ekin = 0.224593843483487 | erot = 0.5464873600296 | epot = -15.4135144490423 | etot = -14.6424332455292 -750000 ekin = 0.215574369391546 | erot = 0.540486233484958 | epot = -15.3984938482955 | etot = -14.6424332454189 -751000 ekin = 0.20582458342619 | erot = 0.53453535676443 | epot = -15.3827931855088 | etot = -14.6424332453181 -752000 ekin = 0.196313335741677 | erot = 0.52919581521799 | epot = -15.3679423961961 | etot = -14.6424332452364 -753000 ekin = 0.187866475787172 | erot = 0.524881252730799 | epot = -15.3551809736992 | etot = -14.6424332451812 -754000 ekin = 0.181110613625732 | erot = 0.521796491095835 | epot = -15.3453403498786 | etot = -14.642433245157 -755000 ekin = 0.176438042203831 | erot = 0.519900210804112 | epot = -15.338771498173 | etot = -14.6424332451651 -756000 ekin = 0.173994962646518 | erot = 0.518897676281033 | epot = -15.3353258841305 | etot = -14.642433245203 -757000 ekin = 0.173693190270087 | erot = 0.518265706177492 | epot = -15.3343921417126 | etot = -14.642433245265 -758000 ekin = 0.175243155014324 | erot = 0.517307659815626 | epot = -15.3349840601728 | etot = -14.6424332453429 -759000 ekin = 0.178203703092592 | erot = 0.515231902157781 | epot = -15.3358688506772 | etot = -14.6424332454268 -760000 ekin = 0.182042463548471 | erot = 0.511243837941775 | epot = -15.335719546997 | etot = -14.6424332455067 -761000 ekin = 0.186199747761037 | erot = 0.504639825540337 | epot = -15.3332728188748 | etot = -14.6424332455734 -762000 ekin = 0.190149235945093 | erot = 0.494891409026847 | epot = -15.3274738905913 | etot = -14.6424332456194 -763000 ekin = 0.193449921094621 | erot = 0.481710238280717 | epot = -15.3175934050151 | etot = -14.6424332456397 -764000 ekin = 0.195785552426502 | erot = 0.465087294345954 | epot = -15.3033060924046 | etot = -14.6424332456321 -765000 ekin = 0.196989678184887 | erot = 0.445303873487528 | epot = -15.2847267972695 | etot = -14.6424332455971 -766000 ekin = 0.19705591918301 | erot = 0.42291544028873 | epot = -15.2624046050093 | etot = -14.6424332455375 -767000 ekin = 0.196134076494091 | erot = 0.398712320920873 | epot = -15.2372796428729 | etot = -14.642433245458 -768000 ekin = 0.194513096652852 | erot = 0.373662938957262 | epot = -15.2106092809747 | etot = -14.6424332453646 -769000 ekin = 0.192592017627679 | erot = 0.348845887485153 | epot = -15.1838711503774 | etot = -14.6424332452645 -770000 ekin = 0.190840163686972 | erot = 0.325376840212764 | epot = -15.1586502490652 | etot = -14.6424332451654 -771000 ekin = 0.1897483972283 | erot = 0.304335529901141 | epot = -15.1365171722047 | etot = -14.6424332450753 -772000 ekin = 0.189774341851613 | erot = 0.286697153922667 | epot = -15.1189047407758 | etot = -14.6424332450016 -773000 ekin = 0.191286034501537 | erot = 0.27327185783823 | epot = -15.1069911372904 | etot = -14.6424332449506 -774000 ekin = 0.194510000609521 | erot = 0.264655458971911 | epot = -15.1015987045092 | etot = -14.6424332449277 -775000 ekin = 0.199490639679884 | erot = 0.261194193157477 | epot = -15.1031180777726 | etot = -14.6424332449353 -776000 ekin = 0.206067477066043 | erot = 0.262965803936856 | epot = -15.1114665259764 | etot = -14.6424332449735 -777000 ekin = 0.213875019086207 | erot = 0.269778568413728 | epot = -15.1260868325396 | etot = -14.6424332450396 -778000 ekin = 0.222366868965229 | erot = 0.281188790676708 | epot = -15.1459889047703 | etot = -14.6424332451284 -779000 ekin = 0.230862102269011 | erot = 0.296535944175866 | epot = -15.1698312916772 | etot = -14.6424332452323 -780000 ekin = 0.238608567019495 | erot = 0.314993169090641 | epot = -15.1960349814528 | etot = -14.6424332453427 -781000 ekin = 0.244855557741785 | erot = 0.335629445234115 | epot = -15.2229182484261 | etot = -14.6424332454502 -782000 ekin = 0.248927612478623 | erot = 0.357478674283284 | epot = -15.2488395323078 | etot = -14.6424332455459 -783000 ekin = 0.250291897529631 | erot = 0.379610269023857 | epot = -15.2723354121756 | etot = -14.6424332456221 -784000 ekin = 0.248613283253181 | erot = 0.401195731117766 | epot = -15.2922422600437 | etot = -14.6424332456728 -785000 ekin = 0.243793133450733 | erot = 0.421566090460907 | epot = -15.3077924696054 | etot = -14.6424332456938 -786000 ekin = 0.235989501852441 | erot = 0.440255905200996 | epot = -15.3186786527368 | etot = -14.6424332456834 -787000 ekin = 0.225617610784245 | erot = 0.457030673426574 | epot = -15.3250815298531 | etot = -14.6424332456423 -788000 ekin = 0.213330260901315 | erot = 0.471895861690424 | epot = -15.3276593681654 | etot = -14.6424332455737 -789000 ekin = 0.199978499676675 | erot = 0.485087183877963 | epot = -15.3274989290377 | etot = -14.6424332454831 -790000 ekin = 0.186553834702789 | erot = 0.497043141238414 | epot = -15.326030221319 | etot = -14.6424332453778 -791000 ekin = 0.174114766792182 | erot = 0.508362048566067 | epot = -15.3249100606251 | etot = -14.6424332452668 -792000 ekin = 0.163702420431755 | erot = 0.519746739177836 | epot = -15.3258824047693 | etot = -14.6424332451597 -793000 ekin = 0.156252224966481 | erot = 0.531940822987091 | epot = -15.3306262930197 | etot = -14.6424332450661 -794000 ekin = 0.152510350035455 | erot = 0.545660777313313 | epot = -15.3406043723436 | etot = -14.6424332449949 -795000 ekin = 0.152964251159066 | erot = 0.561528326979781 | epot = -15.3569258230916 | etot = -14.6424332449528 -796000 ekin = 0.15779574735844 | erot = 0.580007578777105 | epot = -15.3802365710801 | etot = -14.6424332449446 -797000 ekin = 0.16686245785925 | erot = 0.601351255568902 | epot = -15.4106469584001 | etot = -14.6424332449719 -798000 ekin = 0.179709603433403 | erot = 0.625560121844854 | epot = -15.447702970312 | etot = -14.6424332450337 -799000 ekin = 0.19560996606243 | erot = 0.652359247175797 | epot = -15.4904024583644 | etot = -14.6424332451262 -800000 ekin = 0.213626158791752 | erot = 0.681194021872627 | epot = -15.5372534259076 | etot = -14.6424332452433 -801000 ekin = 0.232687040193831 | erot = 0.711247726385194 | epot = -15.5863680119562 | etot = -14.6424332453772 -802000 ekin = 0.251669429106228 | erot = 0.741480919834361 | epot = -15.6355835944599 | etot = -14.6424332455193 -803000 ekin = 0.269477067858276 | erot = 0.770691008419008 | epot = -15.6826013219375 | etot = -14.6424332456602 -804000 ekin = 0.285110541457411 | erot = 0.797588259155916 | epot = -15.7251320464043 | etot = -14.642433245791 -805000 ekin = 0.297723982505673 | erot = 0.820882528796815 | epot = -15.7610397572057 | etot = -14.6424332459032 -806000 ekin = 0.30666638768647 | erot = 0.839373432910558 | epot = -15.7884730665871 | etot = -14.6424332459901 -807000 ekin = 0.311506975554916 | erot = 0.852035914442971 | epot = -15.8059761360442 | etot = -14.6424332460463 -808000 ekin = 0.312045176252063 | erot = 0.858093398525486 | epot = -15.8125718208464 | etot = -14.6424332460689 -809000 ekin = 0.30830664238606 | erot = 0.857071970756237 | epot = -15.8078118591993 | etot = -14.642433246057 -810000 ekin = 0.300527220558558 | erot = 0.848831113926852 | epot = -15.7917915804976 | etot = -14.6424332460122 -811000 ekin = 0.28912720441781 | erot = 0.833569138620822 | epot = -15.7651295889765 | etot = -14.6424332459379 -812000 ekin = 0.2746784275983 | erot = 0.811804116492284 | epot = -15.7289157899297 | etot = -14.6424332458392 -813000 ekin = 0.257866835579241 | erot = 0.784333459542523 | epot = -15.684633540844 | etot = -14.6424332457223 -814000 ekin = 0.23945308058914 | erot = 0.752176980196793 | epot = -15.63406330638 | etot = -14.6424332455941 -815000 ekin = 0.220233415146368 | erot = 0.716509170267457 | epot = -15.5791758308754 | etot = -14.6424332454616 -816000 ekin = 0.20100275104127 | erot = 0.678586569749112 | epot = -15.5220225661217 | etot = -14.6424332453314 -817000 ekin = 0.182521261074943 | erot = 0.639675603866084 | epot = -15.4646301101505 | etot = -14.6424332452094 -818000 ekin = 0.165485401522765 | erot = 0.600985363832454 | epot = -15.4089040104563 | etot = -14.642433245101 -819000 ekin = 0.150503789775692 | erot = 0.563608719249991 | epot = -15.3565457540359 | etot = -14.6424332450102 -820000 ekin = 0.138078032174242 | erot = 0.528474068972577 | epot = -15.308985346087 | etot = -14.6424332449401 -821000 ekin = 0.128588386726507 | erot = 0.496309093117288 | epot = -15.2673307247366 | etot = -14.6424332448928 -822000 ekin = 0.122284066133886 | erot = 0.467617125514411 | epot = -15.2323344365174 | etot = -14.6424332448691 -823000 ekin = 0.119278020922195 | erot = 0.44266622847641 | epot = -15.2043774942678 | etot = -14.6424332448692 -824000 ekin = 0.119546158602377 | erot = 0.42149068273525 | epot = -15.1834700862294 | etot = -14.6424332448917 -825000 ekin = 0.122931110514134 | erot = 0.403904342219283 | epot = -15.1692686976682 | etot = -14.6424332449348 -826000 ekin = 0.129150803764817 | erot = 0.389525074994505 | epot = -15.1611091237546 | etot = -14.6424332449952 -827000 ekin = 0.137812176400569 | erot = 0.377809252264071 | epot = -15.158054673734 | etot = -14.6424332450694 -828000 ekin = 0.148430331610645 | erot = 0.368094906955542 | epot = -15.1589584837187 | etot = -14.6424332451525 -829000 ekin = 0.160453205764771 | erot = 0.359651737504109 | epot = -15.162538188508 | etot = -14.6424332452391 -830000 ekin = 0.173291382900576 | erot = 0.351735589536987 | epot = -15.1674602177612 | etot = -14.6424332453236 -831000 ekin = 0.186352012967387 | erot = 0.343644456321394 | epot = -15.172429714689 | etot = -14.6424332454002 -832000 ekin = 0.199074924610329 | erot = 0.334772487912646 | epot = -15.1762806579866 | etot = -14.6424332454636 -833000 ekin = 0.210968084885631 | erot = 0.324658115180747 | epot = -15.1780594455754 | etot = -14.6424332455091 -834000 ekin = 0.221638757262098 | erot = 0.313022323434907 | epot = -15.1770943262305 | etot = -14.6424332455335 -835000 ekin = 0.230816330006855 | erot = 0.299793483319955 | epot = -15.1730430588624 | etot = -14.6424332455356 -836000 ekin = 0.238363132178622 | erot = 0.285116039954994 | epot = -15.1659124176498 | etot = -14.6424332455161 -837000 ekin = 0.244270841534611 | erot = 0.269341751254713 | epot = -15.1560458382673 | etot = -14.642433245478 -838000 ekin = 0.248642320238308 | erot = 0.253003904099878 | epot = -15.144079469764 | etot = -14.6424332454258 -839000 ekin = 0.25166156932901 | erot = 0.236776758984113 | epot = -15.1308715736783 | etot = -14.6424332453652 -840000 ekin = 0.253557306828157 | erot = 0.221424057159315 | epot = -15.11741460929 | etot = -14.6424332453026 -841000 ekin = 0.254567562695185 | erot = 0.207741475742172 | epot = -15.1047422836805 | etot = -14.6424332452432 -842000 ekin = 0.254912814680605 | erot = 0.196498262353501 | epot = -15.0938443222254 | etot = -14.6424332451913 -843000 ekin = 0.254783130761291 | erot = 0.18838292178676 | epot = -15.0855992976977 | etot = -14.6424332451496 -844000 ekin = 0.254340789692194 | erot = 0.183956927272137 | epot = -15.0807309620835 | etot = -14.6424332451192 -845000 ekin = 0.253734932885203 | erot = 0.183619247980828 | epot = -15.0797874259659 | etot = -14.6424332450999 -846000 ekin = 0.253120504189253 | erot = 0.187583282240151 | epot = -15.0831370315206 | etot = -14.6424332450911 -847000 ekin = 0.25267165008145 | erot = 0.195866742639383 | epot = -15.0909716378134 | etot = -14.6424332450925 -848000 ekin = 0.252580915304042 | erot = 0.208294222463338 | epot = -15.1033083828718 | etot = -14.6424332451044 -849000 ekin = 0.25303996684305 | erot = 0.224511555531943 | epot = -15.1199847675022 | etot = -14.6424332451272 -850000 ekin = 0.254204001794731 | erot = 0.244010590097857 | epot = -15.1406478370545 | etot = -14.6424332451619 -851000 ekin = 0.256148339024686 | erot = 0.26616256360269 | epot = -15.1647441478359 | etot = -14.6424332452085 -852000 ekin = 0.258829686440298 | erot = 0.290257858698357 | epot = -15.1915207904045 | etot = -14.6424332452658 -853000 ekin = 0.262064657830092 | erot = 0.315549558168062 | epot = -15.2200474613289 | etot = -14.6424332453308 -854000 ekin = 0.265534116125796 | erot = 0.341297947737011 | epot = -15.2492653092615 | etot = -14.6424332453987 -855000 ekin = 0.268815174658096 | erot = 0.366813004431933 | epot = -15.2780614245538 | etot = -14.6424332454637 -856000 ekin = 0.271435486960135 | erot = 0.391492007902975 | epot = -15.3053607403827 | etot = -14.6424332455196 -857000 ekin = 0.272939108069148 | erot = 0.414849750475493 | epot = -15.3302221041057 | etot = -14.642433245561 -858000 ekin = 0.272951155046116 | erot = 0.43653939069067 | epot = -15.3519237913208 | etot = -14.642433245584 -859000 ekin = 0.271229880682587 | erot = 0.456362750062525 | epot = -15.3700258763315 | etot = -14.6424332455864 -860000 ekin = 0.267698633839444 | erot = 0.474269718464337 | epot = -15.3844015978728 | etot = -14.642433245569 -861000 ekin = 0.262455001757546 | erot = 0.490347316011832 | epot = -15.395235563303 | etot = -14.6424332455336 -862000 ekin = 0.255758797180207 | erot = 0.504799761303166 | epot = -15.4029918039675 | etot = -14.6424332454841 -863000 ekin = 0.248003564343611 | erot = 0.517921532816755 | epot = -15.4083583425855 | etot = -14.6424332454251 -864000 ekin = 0.23967765558561 | erot = 0.530065823507455 | epot = -15.4121767244549 | etot = -14.6424332453618 -865000 ekin = 0.23132088944464 | erot = 0.541610953537996 | epot = -15.4153650882815 | etot = -14.6424332452989 -866000 ekin = 0.223481813674061 | erot = 0.552927233335028 | epot = -15.41884229225 | etot = -14.6424332452409 -867000 ekin = 0.216679174488308 | erot = 0.564346499434596 | epot = -15.4234589191144 | etot = -14.6424332451915 -868000 ekin = 0.211369750013263 | erot = 0.576136138940125 | epot = -15.4299391341069 | etot = -14.6424332451535 -869000 ekin = 0.207923502302183 | erot = 0.588478941151671 | epot = -15.4388356885827 | etot = -14.6424332451288 -870000 ekin = 0.206606152993329 | erot = 0.601459626889461 | epot = -15.4504990250012 | etot = -14.6424332451184 -871000 ekin = 0.207568796750739 | erot = 0.615058451103504 | epot = -15.4650604929769 | etot = -14.6424332451226 -872000 ekin = 0.210843969893675 | erot = 0.629151875756264 | epot = -15.4824290907906 | etot = -14.6424332451407 -873000 ekin = 0.216347593110829 | erot = 0.643519970829237 | epot = -15.5023008091114 | etot = -14.6424332451714 -874000 ekin = 0.223886305134919 | erot = 0.657859909725313 | epot = -15.5241794600729 | etot = -14.6424332452126 -875000 ekin = 0.233169807544942 | erot = 0.671804662204777 | epot = -15.5474077150118 | etot = -14.6424332452621 -876000 ekin = 0.243827877956003 | erot = 0.684945735793168 | epot = -15.5712068590658 | etot = -14.6424332453167 -877000 ekin = 0.255431632539201 | erot = 0.696858567347312 | epot = -15.5947234452596 | etot = -14.6424332453731 -878000 ekin = 0.267518408507603 | erot = 0.707128927381253 | epot = -15.6170805813169 | etot = -14.642433245428 -879000 ekin = 0.279619300254697 | erot = 0.715378495713559 | epot = -15.6374310414462 | etot = -14.642433245478 -880000 ekin = 0.291287955017646 | erot = 0.721287639191614 | epot = -15.6550088397293 | etot = -14.64243324552 -881000 ekin = 0.30212877846337 | erot = 0.724613422803328 | epot = -15.6691754468184 | etot = -14.6424332455517 -882000 ekin = 0.31182230406922 | erot = 0.725201068169744 | epot = -15.6794566178103 | etot = -14.6424332455713 -883000 ekin = 0.32014524378975 | erot = 0.722987481097383 | epot = -15.6855659704652 | etot = -14.6424332455781 -884000 ekin = 0.326982762202525 | erot = 0.71799612015275 | epot = -15.6874121279281 | etot = -14.6424332455729 -885000 ekin = 0.332330882217529 | erot = 0.710323349666018 | epot = -15.6850874774407 | etot = -14.6424332455572 -886000 ekin = 0.336287673337269 | erot = 0.700117442970509 | epot = -15.6788383618419 | etot = -14.6424332455341 -887000 ekin = 0.339032964158867 | erot = 0.687552454431532 | epot = -15.6690186640977 | etot = -14.6424332455073 -888000 ekin = 0.340797654552277 | erot = 0.672800100940224 | epot = -15.6560310009735 | etot = -14.642433245481 -889000 ekin = 0.341825106167264 | erot = 0.656003407097172 | epot = -15.6402617587239 | etot = -14.6424332454594 -890000 ekin = 0.34232834758349 | erot = 0.637256013160967 | epot = -15.6220176061905 | etot = -14.642433245446 -891000 ekin = 0.342447730500064 | erot = 0.616590618565621 | epot = -15.6014715945091 | etot = -14.6424332454435 -892000 ekin = 0.342214057419122 | erot = 0.593979026502071 | epot = -15.5786263293741 | etot = -14.6424332454529 -893000 ekin = 0.341522004916641 | erot = 0.569344767729577 | epot = -15.55330001812 | etot = -14.6424332454737 -894000 ekin = 0.34011793412299 | erot = 0.54258751991292 | epot = -15.5251386995396 | etot = -14.6424332455037 -895000 ekin = 0.337605044786632 | erot = 0.513616778977975 | epot = -15.4936550693037 | etot = -14.6424332455391 -896000 ekin = 0.333467462875063 | erot = 0.48239077517222 | epot = -15.4582914836221 | etot = -14.6424332455748 -897000 ekin = 0.327113397523359 | erot = 0.44895570900175 | epot = -15.4185023521299 | etot = -14.6424332456048 -898000 ekin = 0.31793601762133 | erot = 0.413480165458452 | epot = -15.3738494287026 | etot = -14.6424332456228 -899000 ekin = 0.305389123796087 | erot = 0.376280077469223 | epot = -15.3241024468879 | etot = -14.6424332456226 -900000 ekin = 0.289072881395307 | erot = 0.337830752319189 | epot = -15.2693368793129 | etot = -14.6424332455984 -901000 ekin = 0.268822686259832 | erot = 0.298764046957366 | epot = -15.2100199787633 | etot = -14.6424332455461 -902000 ekin = 0.244791653969177 | erot = 0.259850521117947 | epot = -15.1470754205501 | etot = -14.642433245463 -903000 ekin = 0.217514571462771 | erot = 0.2219680472104 | epot = -15.0819158640225 | etot = -14.6424332453494 -904000 ekin = 0.187939204411673 | erot = 0.186059692012536 | epot = -15.0164321416331 | etot = -14.6424332452089 -905000 ekin = 0.157410847731541 | erot = 0.153084564883788 | epot = -14.9529286576644 | etot = -14.642433245049 -906000 ekin = 0.127599356271593 | erot = 0.123965703545267 | epot = -14.8939983046982 | etot = -14.6424332448813 -907000 ekin = 0.100365589130959 | erot = 0.0995389863896934 | epot = -14.8423378202412 | etot = -14.6424332447206 -908000 ekin = 0.0775759855948257 | erot = 0.0805066337401618 | epot = -14.800515863918 | etot = -14.642433244583 -909000 ekin = 0.060887695003573 | erot = 0.0673982354567931 | epot = -14.7707191749444 | etot = -14.642433244484 -910000 ekin = 0.051538292299 | erot = 0.0605415547707063 | epot = -14.7545130915056 | etot = -14.6424332444358 -911000 ekin = 0.0501789452911415 | erot = 0.060044698962114 | epot = -14.7526568886979 | etot = -14.6424332444447 -912000 ekin = 0.0567846925755186 | erot = 0.0657906450223113 | epot = -14.7650085821073 | etot = -14.6424332445095 -913000 ekin = 0.0706603747974273 | erot = 0.0774445361857558 | epot = -14.7905381556057 | etot = -14.6424332446226 -914000 ekin = 0.0905398584141984 | erot = 0.0944735694284727 | epot = -14.8274466726133 | etot = -14.6424332447706 -915000 ekin = 0.114756144633711 | erot = 0.116178630204803 | epot = -14.8733680197762 | etot = -14.6424332449377 -916000 ekin = 0.141447043407485 | erot = 0.141736093135474 | epot = -14.9256163816503 | etot = -14.6424332451073 -917000 ekin = 0.168758535424653 | erot = 0.170247440484187 | epot = -14.9814392211744 | etot = -14.6424332452655 -918000 ekin = 0.195014913443802 | erot = 0.200793639363233 | epot = -15.0382417982084 | etot = -14.6424332454014 -919000 ekin = 0.218837422087009 | erot = 0.232490666330172 | epot = -15.093761333925 | etot = -14.6424332455079 -920000 ekin = 0.239206641026131 | erot = 0.26454226708574 | epot = -15.1461821536939 | etot = -14.642433245582 -921000 ekin = 0.255474577150064 | erot = 0.296286050795975 | epot = -15.1941938735697 | etot = -14.6424332456236 -922000 ekin = 0.267338631216169 | erot = 0.327229363199175 | epot = -15.2370012400502 | etot = -14.6424332456349 -923000 ekin = 0.274791412213632 | erot = 0.357072039931877 | epot = -15.2742966977651 | etot = -14.6424332456196 -924000 ekin = 0.278059017514887 | erot = 0.385714059427459 | epot = -15.3062063225249 | etot = -14.6424332455826 -925000 ekin = 0.277537405166048 | erot = 0.413247220090753 | epot = -15.333217870786 | etot = -14.6424332455292 -926000 ekin = 0.273733135235252 | erot = 0.439931173657219 | epot = -15.3560975543576 | etot = -14.6424332454651 -927000 ekin = 0.267211859637779 | erot = 0.466155363878472 | epot = -15.3758004689124 | etot = -14.6424332453961 -928000 ekin = 0.25855584753175 | erot = 0.492389553499223 | epot = -15.3933786463589 | etot = -14.6424332453279 -929000 ekin = 0.248330567887068 | erot = 0.519126582978688 | epot = -15.4098903961314 | etot = -14.6424332452656 -930000 ekin = 0.237059747160937 | erot = 0.54682171162893 | epot = -15.426314704004 | etot = -14.6424332452141 -931000 ekin = 0.225208144800282 | erot = 0.575833282920741 | epot = -15.4434746728982 | etot = -14.6424332451772 -932000 ekin = 0.213171319360079 | erot = 0.606369490848937 | epot = -15.4619740553667 | etot = -14.6424332451577 -933000 ekin = 0.20127172299004 | erot = 0.63844569037598 | epot = -15.4821506585232 | etot = -14.6424332451571 -934000 ekin = 0.189760460104316 | erot = 0.671856006696139 | epot = -15.5040497119762 | etot = -14.6424332451757 -935000 ekin = 0.178823941832674 | erot = 0.70616199658427 | epot = -15.527419183629 | etot = -14.6424332452121 -936000 ekin = 0.168594479109506 | erot = 0.740699865834002 | epot = -15.5517275902073 | etot = -14.6424332452638 -937000 ekin = 0.159163635629787 | erot = 0.774606336202774 | epot = -15.5762032171595 | etot = -14.6424332453269 -938000 ekin = 0.15059697191027 | erot = 0.806861786792913 | epot = -15.5998920041001 | etot = -14.6424332453969 -939000 ekin = 0.14294871162838 | erot = 0.836347883523471 | epot = -15.6217298406203 | etot = -14.6424332454684 -940000 ekin = 0.136274889167807 | erot = 0.861915676025906 | epot = -15.6406238107299 | etot = -14.6424332455362 -941000 ekin = 0.130643703196332 | erot = 0.882459199117971 | epot = -15.6555361479093 | etot = -14.642433245595 -942000 ekin = 0.126142088158943 | erot = 0.89698906517013 | epot = -15.6655643989695 | etot = -14.6424332456404 -943000 ekin = 0.122877886109216 | erot = 0.904700444357472 | epot = -15.6700115761356 | etot = -14.6424332456689 -944000 ekin = 0.120977407411876 | erot = 0.905030230236174 | epot = -15.6684408833264 | etot = -14.6424332456784 -945000 ekin = 0.120578563691194 | erot = 0.897699054745601 | epot = -15.6607108641049 | etot = -14.6424332456681 -946000 ekin = 0.121820103594628 | erot = 0.88273507092903 | epot = -15.6469884201622 | etot = -14.6424332456386 -947000 ekin = 0.124827761130735 | erot = 0.860477935597424 | epot = -15.6277389423202 | etot = -14.642433245592 -948000 ekin = 0.129698334170688 | erot = 0.831563037039339 | epot = -15.6036946167418 | etot = -14.6424332455318 -949000 ekin = 0.136482857560386 | erot = 0.796887554723775 | epot = -15.5758036577462 | etot = -14.6424332454621 -950000 ekin = 0.145170138933456 | erot = 0.757561255989872 | epot = -15.5451646403111 | etot = -14.6424332453878 -951000 ekin = 0.155672002997282 | erot = 0.714845916095117 | epot = -15.5129511644064 | etot = -14.642433245314 -952000 ekin = 0.167811650838071 | erot = 0.67008783325117 | epot = -15.480332729335 | etot = -14.6424332452457 -953000 ekin = 0.1813165794726 | erot = 0.62464809521225 | epot = -15.4483979198723 | etot = -14.6424332451874 -954000 ekin = 0.19581750070188 | erot = 0.57983508069521 | epot = -15.4180858265396 | etot = -14.6424332451425 -955000 ekin = 0.21085460687665 | erot = 0.536843219767247 | epot = -15.3901310717574 | etot = -14.6424332451135 -956000 ekin = 0.225892299836444 | erot = 0.496701376788955 | epot = -15.3650269217267 | etot = -14.6424332451013 -957000 ekin = 0.240343066496815 | erot = 0.460233438090351 | epot = -15.3430097496926 | etot = -14.6424332451055 -958000 ekin = 0.253600493836713 | erot = 0.428032849889673 | epot = -15.3240665888504 | etot = -14.642433245124 -959000 ekin = 0.26508043374484 | erot = 0.400452005453744 | epot = -15.3079656843521 | etot = -14.6424332451535 -960000 ekin = 0.274268068126469 | erot = 0.3776065494438 | epot = -15.2943078627599 | etot = -14.6424332451896 -961000 ekin = 0.280767177999005 | erot = 0.359393861243336 | epot = -15.2825942844696 | etot = -14.6424332452273 -962000 ekin = 0.284346484058609 | erot = 0.345524198810109 | epot = -15.2723039281299 | etot = -14.6424332452611 -963000 ekin = 0.284976816085041 | erot = 0.335562232322697 | epot = -15.2629722936944 | etot = -14.6424332452867 -964000 ekin = 0.282852494243525 | erot = 0.32897598649065 | epot = -15.2542617260345 | etot = -14.6424332453003 -965000 ekin = 0.278391086611735 | erot = 0.325189577593081 | epot = -15.2460139095051 | etot = -14.6424332453002 -966000 ekin = 0.272207924676681 | erot = 0.32363564014577 | epot = -15.2382768101091 | etot = -14.6424332452866 -967000 ekin = 0.265065367869008 | erot = 0.323803079983236 | epot = -15.2313016931137 | etot = -14.6424332452614 -968000 ekin = 0.25780129371369 | erot = 0.325275872287489 | epot = -15.2255104112296 | etot = -14.6424332452284 -969000 ekin = 0.251245661475409 | erot = 0.327759142573897 | epot = -15.2214380492417 | etot = -14.6424332451924 -970000 ekin = 0.246137008995692 | erot = 0.331089781179722 | epot = -15.2196600353337 | etot = -14.6424332451582 -971000 ekin = 0.243051319619915 | erot = 0.335230325664632 | epot = -15.2207148904151 | etot = -14.6424332451306 -972000 ekin = 0.242353409643559 | erot = 0.340246678804852 | epot = -15.2250333335614 | etot = -14.642433245113 -973000 ekin = 0.244176338167963 | erot = 0.346272190711359 | epot = -15.2328817739871 | etot = -14.6424332451077 -974000 ekin = 0.248428661663719 | erot = 0.353462430362792 | epot = -15.2443243371426 | etot = -14.6424332451161 -975000 ekin = 0.254824314808527 | erot = 0.361946299431624 | epot = -15.2592038593783 | etot = -14.6424332451381 -976000 ekin = 0.262926848825399 | erot = 0.371779749930863 | epot = -15.2771398439293 | etot = -14.6424332451731 -977000 ekin = 0.272199235334822 | erot = 0.382908123264924 | epot = -15.2975406038191 | etot = -14.6424332452194 -978000 ekin = 0.282052066854486 | erot = 0.395142048097982 | epot = -15.3196273602273 | etot = -14.6424332452748 -979000 ekin = 0.291885751915432 | erot = 0.408150081471576 | epot = -15.3424690787237 | etot = -14.6424332453367 -980000 ekin = 0.301125083790032 | erot = 0.421469125222411 | epot = -15.365027454414 | etot = -14.6424332454016 -981000 ekin = 0.309246535916151 | erot = 0.434531423655712 | epot = -15.3862112050375 | etot = -14.6424332454657 -982000 ekin = 0.315799497488435 | erot = 0.446704965615556 | epot = -15.4049377086287 | etot = -14.6424332455247 -983000 ekin = 0.320422573217695 | erot = 0.457342632742344 | epot = -15.4201984515349 | etot = -14.6424332455749 -984000 ekin = 0.322855465254384 | erot = 0.465834622597573 | epot = -15.4311233334643 | etot = -14.6424332456124 -985000 ekin = 0.322946302470594 | erot = 0.471658590972097 | epot = -15.4370381390772 | etot = -14.6424332456345 -986000 ekin = 0.32065391780096 | erot = 0.47442255658858 | epot = -15.437509720029 | etot = -14.6424332456394 -987000 ekin = 0.316044627357463 | erot = 0.473896755513782 | epot = -15.432374628498 | etot = -14.6424332456268 -988000 ekin = 0.309283477264372 | erot = 0.470032116943487 | epot = -15.421748839805 | etot = -14.6424332455972 -989000 ekin = 0.300620522165357 | erot = 0.462964620620384 | epot = -15.4060183883382 | etot = -14.6424332455525 -990000 ekin = 0.290373280688083 | erot = 0.453006262993474 | epot = -15.3858127891769 | etot = -14.6424332454953 -991000 ekin = 0.27890691570339 | erot = 0.440624526217875 | epot = -15.3619646873503 | etot = -14.642433245429 -992000 ekin = 0.266613826413786 | erot = 0.426413006889876 | epot = -15.3354600786606 | etot = -14.642433245357 -993000 ekin = 0.253894212446129 | erot = 0.411056197523116 | epot = -15.3073836552521 | etot = -14.6424332452828 -994000 ekin = 0.241138837000641 | erot = 0.3952913723868 | epot = -15.2788634545973 | etot = -14.6424332452098 -995000 ekin = 0.228714768908433 | erot = 0.379870207853254 | epot = -15.2510182219026 | etot = -14.6424332451409 -996000 ekin = 0.216954417472708 | erot = 0.365522282704992 | epot = -15.2249099452563 | etot = -14.6424332450786 -997000 ekin = 0.206147766459094 | erot = 0.352922066135596 | epot = -15.2015030776196 | etot = -14.6424332450249 -998000 ekin = 0.196537413161582 | erot = 0.342660495987547 | epot = -15.1816311541306 | etot = -14.6424332449815 -999000 ekin = 0.188315843917336 | erot = 0.335221830001114 | epot = -15.1659709188676 | etot = -14.6424332449491 -1000000 ekin = 0.1816243230724 | erot = 0.33096613964385 | epot = -15.155023707645 | etot = -14.6424332449287 - 1000000 0.013453654 -1.5270261 0.011523695 -1.4973399 -8.4815516e-05 -Loop time of 15.696 on 1 procs for 1000000 steps with 10 atoms - -Performance: 55045.770 tau/day, 63710.382 timesteps/s -99.6% CPU use with 1 MPI tasks x no OpenMP threads - -MPI task timing breakdown: -Section | min time | avg time | max time |%varavg| %total ---------------------------------------------------------------- -Pair | 11.973 | 11.973 | 11.973 | 0.0 | 76.28 -Bond | 0.57492 | 0.57492 | 0.57492 | 0.0 | 3.66 -Neigh | 0 | 0 | 0 | 0.0 | 0.00 -Comm | 0.18391 | 0.18391 | 0.18391 | 0.0 | 1.17 -Output | 8e-06 | 8e-06 | 8e-06 | 0.0 | 0.00 -Modify | 2.7068 | 2.7068 | 2.7068 | 0.0 | 17.25 -Other | | 0.2573 | | | 1.64 - -Nlocal: 10.0 ave 10.0 max 10.0 min -Histogram: 1 0 0 0 0 0 0 0 0 0 -Nghost: 0.0 ave 0.0 max 0.0 min -Histogram: 1 0 0 0 0 0 0 0 0 0 -Neighs: 37.0 ave 37.0 max 37.0 min -Histogram: 1 0 0 0 0 0 0 0 0 0 - -Total # of neighbors = 37 -Ave neighs/atom = 3.7 -Ave special neighs/atom = 3.6 -Neighbor list builds = 0 -Dangerous builds = 0 - -#write_restart config.${number}.* -Total wall time: 0:00:15 diff --git a/examples/PACKAGES/cgdna/examples/oxDNA/duplex1/log.30Jun20.duplex1.g++.4 b/examples/PACKAGES/cgdna/examples/oxDNA/duplex1/log.30Jun20.duplex1.g++.4 deleted file mode 100644 index ec5364e4bb..0000000000 --- a/examples/PACKAGES/cgdna/examples/oxDNA/duplex1/log.30Jun20.duplex1.g++.4 +++ /dev/null @@ -1,1175 +0,0 @@ -LAMMPS (30 Jun 2020) -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 -WARNING: Atom_style hybrid defines both pertype and peratom masses - both must be set, only peratom masses will be used (../atom_vec_hybrid.cpp:156) -atom_modify sort 0 1.0 - -# Pair interactions require lists of neighbours to be calculated -neighbor 1.0 bin -neigh_modify every 1 delay 0 check yes - -read_data data.duplex1 - orthogonal box = (-20 -20 -20) to (20 20 20) - 1 by 2 by 2 MPI processor grid - reading atoms ... - 10 atoms - reading velocities ... - 10 velocities - 10 ellipsoids - scanning bonds ... - 2 = max bonds/atom - reading bonds ... - 8 bonds - 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 = 0.003 seconds -set atom * mass 3.1575 - 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 - 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/dot -#fix 1 all nve/dotc/langevin ${T} ${T} 0.03 457145 angmom 10 -#fix 1 all nve/asphere -#fix 2 all langevin ${T} ${T} 0.03 457145 angmom 10 - -timestep 1e-5 - -#comm_style tiled -#fix 3 all balance 10000 1.1 rcb -comm_modify cutoff 2.5 - -#compute mol all chunk/atom molecule -#compute mychunk all vcm/chunk mol -#fix 4 all ave/time 10000 1 10000 c_mychunk[1] c_mychunk[2] c_mychunk[3] file vcm.txt mode vector - -#dump pos all xyz ${ofreq} traj.${number}.xyz - -#compute quat all property/atom quatw quati quatj quatk -#dump quat all custom ${ofreq} quat.${number}.txt id c_quat[1] c_quat[2] c_quat[3] c_quat[4] -#dump_modify quat sort id -#dump_modify quat format line "%d %13.6le %13.6le %13.6le %13.6le" - -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}.txt id x y z vx vy vz fx fy fz tqx tqy tqz -#dump_modify out sort id -#dump_modify out format line "%d %13.6le %13.6le %13.6le %13.6le %13.6le %13.6le %13.6le %13.6le %13.6le %13.6le %13.6le %13.6le" - -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 = 1.9560004 - ghost atom cutoff = 2.5 - binsize = 0.97800022, bins = 41 41 41 - 5 neighbor lists, perpetual/occasional/extra = 5 0 0 - (1) pair oxdna/excv, perpetual - attributes: half, newton off - pair build: half/bin/newtoff - stencil: half/bin/3d/newtoff - bin: standard - (2) pair oxdna/stk, perpetual, copy from (1) - attributes: half, newton off - pair build: copy - stencil: none - bin: none - (3) pair oxdna/hbond, perpetual, copy from (1) - attributes: half, newton off - pair build: copy - stencil: none - bin: none - (4) pair oxdna/xstk, perpetual, copy from (1) - attributes: half, newton off - pair build: copy - stencil: none - bin: none - (5) pair oxdna/coaxstk, perpetual, copy from (1) - attributes: half, newton off - pair build: copy - stencil: none - bin: none -0 ekin = 0 | erot = 0 | epot = -14.6424332448164 | etot = -14.6424332448164 -Per MPI rank memory allocation (min/avg/max) = 7.605 | 7.662 | 7.719 Mbytes -Step Temp E_pair E_mol TotEng Press - 0 0 -1.4711818 0.0069384985 -1.4642433 2.5836586e-06 -1000 ekin = 0.00113448721737009 | erot = 0.0041345594773427 | epot = -14.6477022915193 | etot = -14.6424332448246 -2000 ekin = 0.00449927223902292 | erot = 0.0164446434455803 | epot = -14.6633771605337 | etot = -14.6424332448491 -3000 ekin = 0.00997964450840756 | erot = 0.0366523356056466 | epot = -14.6890652250033 | etot = -14.6424332448892 -4000 ekin = 0.017388811129498 | erot = 0.0643039804300251 | epot = -14.7241260365031 | etot = -14.6424332449436 -5000 ekin = 0.0264744514136422 | erot = 0.0987844033142134 | epot = -14.7676920997383 | etot = -14.6424332450104 -6000 ekin = 0.0369277948555727 | erot = 0.13933657105258 | epot = -14.8186976109956 | etot = -14.6424332450875 -7000 ekin = 0.0483950557190949 | erot = 0.185086295692109 | epot = -14.8759145965832 | etot = -14.642433245172 -8000 ekin = 0.0604909336919856 | erot = 0.235071307523581 | epot = -14.9379954864767 | etot = -14.6424332452611 -9000 ekin = 0.0728137406439518 | erot = 0.288273694501615 | epot = -15.003520680497 | etot = -14.6424332453514 -10000 ekin = 0.0849615563084574 | erot = 0.343654369293589 | epot = -15.0710491710418 | etot = -14.6424332454398 -11000 ekin = 0.0965486715044103 | erot = 0.400187932108393 | epot = -15.1391698491357 | etot = -14.6424332455229 -12000 ekin = 0.107221466282716 | erot = 0.456896095459393 | epot = -15.2065508073401 | etot = -14.642433245598 -13000 ekin = 0.116672809719361 | erot = 0.512877765427945 | epot = -15.27198382081 | etot = -14.6424332456627 -14000 ekin = 0.124654073730849 | erot = 0.567333962045501 | epot = -15.3344212814915 | etot = -14.6424332457151 -15000 ekin = 0.130983939684084 | erot = 0.619586028257145 | epot = -15.3930032136957 | etot = -14.6424332457544 -16000 ekin = 0.135553354544703 | erot = 0.66908602849033 | epot = -15.4470726288154 | etot = -14.6424332457804 -17000 ekin = 0.138326263958104 | erot = 0.715418858086098 | epot = -15.4961783678378 | etot = -14.6424332457936 -18000 ekin = 0.139336096663942 | erot = 0.758296324628463 | epot = -15.5400656670878 | etot = -14.6424332457954 -19000 ekin = 0.138678360045107 | erot = 0.797544234276633 | epot = -15.5786558401095 | etot = -14.6424332457878 -20000 ekin = 0.136500074655344 | erot = 0.833084204411832 | epot = -15.6120175248401 | etot = -14.642433245773 -21000 ekin = 0.13298706528568 | erot = 0.864912408453387 | epot = -15.6403327194924 | etot = -14.6424332457533 -22000 ekin = 0.128350288213599 | erot = 0.893077649558743 | epot = -15.6638611835035 | etot = -14.6424332457311 -23000 ekin = 0.122812385135574 | erot = 0.917661024684626 | epot = -15.6829066555285 | etot = -14.6424332457083 -24000 ekin = 0.116595521408358 | erot = 0.938759014332623 | epot = -15.6977877814273 | etot = -14.6424332456863 -25000 ekin = 0.109911323474882 | erot = 0.956471207347589 | epot = -15.7088157764886 | etot = -14.6424332456661 -26000 ekin = 0.102953426207684 | erot = 0.970893163953319 | epot = -15.7162798358093 | etot = -14.6424332456483 -27000 ekin = 0.0958928250746599 | erot = 0.982114250193934 | epot = -15.7204403209012 | etot = -14.6424332456326 -28000 ekin = 0.0888759410949697 | erot = 0.990219731539457 | epot = -15.721528918253 | etot = -14.6424332456186 -29000 ekin = 0.0820250748771988 | erot = 0.995296041202221 | epot = -15.7197543616852 | etot = -14.6424332456058 -30000 ekin = 0.0754407616837521 | erot = 0.997437949319969 | epot = -15.7153119565969 | etot = -14.6424332455932 -31000 ekin = 0.0692054432607507 | erot = 0.996756332760959 | epot = -15.708395021602 | etot = -14.6424332455803 -32000 ekin = 0.0633878377974527 | erot = 0.993385345347641 | epot = -15.6992064287111 | etot = -14.642433245566 -33000 ekin = 0.0580474070866972 | erot = 0.987487973308198 | epot = -15.6879686259451 | etot = -14.6424332455502 -34000 ekin = 0.0532383791882911 | erot = 0.979259192919845 | epot = -15.6749308176403 | etot = -14.6424332455322 -35000 ekin = 0.0490128758302368 | erot = 0.968926197405304 | epot = -15.6603723187477 | etot = -14.6424332455122 -36000 ekin = 0.0454228081405029 | erot = 0.9567454096241 | epot = -15.6446014632554 | etot = -14.6424332454908 -37000 ekin = 0.0425203357170925 | erot = 0.942996237999004 | epot = -15.6279498191848 | etot = -14.6424332454687 -38000 ekin = 0.0403568280944576 | erot = 0.927971766615168 | epot = -15.6107618401563 | etot = -14.6424332454467 -39000 ekin = 0.0389804214208548 | erot = 0.911966804108811 | epot = -15.5933804709558 | etot = -14.6424332454262 -40000 ekin = 0.0384324238853382 | erot = 0.89526395956208 | epot = -15.5761296288558 | etot = -14.6424332454084 -41000 ekin = 0.038742986040685 | erot = 0.878118672837852 | epot = -15.559294904273 | etot = -14.6424332453944 -42000 ekin = 0.0399266053637394 | erot = 0.860744395135542 | epot = -15.543104245885 | etot = -14.6424332453857 -43000 ekin = 0.0419781561012778 | erot = 0.843299365356476 | epot = -15.5277107668409 | etot = -14.6424332453831 -44000 ekin = 0.044870189409001 | erot = 0.825876603313475 | epot = -15.5131800381094 | etot = -14.6424332453869 -45000 ekin = 0.0485521857416515 | erot = 0.808498758186206 | epot = -15.4994841893249 | etot = -14.642433245397 -46000 ekin = 0.0529522094038557 | erot = 0.791119212188469 | epot = -15.486504667005 | etot = -14.6424332454127 -47000 ekin = 0.0579809824244727 | erot = 0.773630265884061 | epot = -15.4740444937409 | etot = -14.6424332454323 -48000 ekin = 0.063537784650219 | erot = 0.755878310838164 | epot = -15.4618493409424 | etot = -14.642433245454 -49000 ekin = 0.0695169124467211 | erot = 0.737684732484754 | epot = -15.4496348904071 | etot = -14.6424332454756 -50000 ekin = 0.0758129058465106 | erot = 0.71887012622011 | epot = -15.437116277562 | etot = -14.6424332454954 -51000 ekin = 0.0823226638652303 | erot = 0.699278599520668 | epot = -15.424034508898 | etot = -14.6424332455121 -52000 ekin = 0.0889431481345008 | erot = 0.678798807099979 | epot = -15.4101752007595 | etot = -14.642433245525 -53000 ekin = 0.0955646689265035 | erot = 0.657379086771082 | epot = -15.3953770012322 | etot = -14.6424332455346 -54000 ekin = 0.102061477510161 | erot = 0.635035489169246 | epot = -15.3795302122208 | etot = -14.6424332455414 -55000 ekin = 0.108282960174666 | erot = 0.611853171347221 | epot = -15.362569377068 | etot = -14.6424332455461 -56000 ekin = 0.114049426282278 | erot = 0.587982945924278 | epot = -15.3444656177552 | etot = -14.6424332455487 -57000 ekin = 0.119155806187163 | erot = 0.563635255922936 | epot = -15.3252243076589 | etot = -14.6424332455488 -58000 ekin = 0.123384552305545 | erot = 0.539073355222423 | epot = -15.3048911530734 | etot = -14.6424332455455 -59000 ekin = 0.126526300954853 | erot = 0.514606324858908 | epot = -15.2835658713509 | etot = -14.6424332455371 -60000 ekin = 0.128404399836228 | erot = 0.490581338840041 | epot = -15.261418984199 | etot = -14.6424332455227 -61000 ekin = 0.128898142361895 | erot = 0.467373892400967 | epot = -15.2387052802647 | etot = -14.6424332455018 -62000 ekin = 0.127959880289724 | erot = 0.445374820086214 | epot = -15.2157679458512 | etot = -14.6424332454752 -63000 ekin = 0.125622870624276 | erot = 0.424973765387136 | epot = -15.1930298814554 | etot = -14.642433245444 -64000 ekin = 0.121999044842464 | erot = 0.406539918572064 | epot = -15.1709722088251 | etot = -14.6424332454106 -65000 ekin = 0.117268056618549 | erot = 0.390401831020304 | epot = -15.1501031330161 | etot = -14.6424332453772 -66000 ekin = 0.111660385256518 | erot = 0.376828594078844 | epot = -15.1309222246819 | etot = -14.6424332453465 -67000 ekin = 0.105437746904479 | erot = 0.366014539811003 | epot = -15.1138855320359 | etot = -14.6424332453205 -68000 ekin = 0.0988737375602367 | erot = 0.358069014155073 | epot = -15.0993759970159 | etot = -14.6424332453006 -69000 ekin = 0.0922368286498106 | erot = 0.353011948771939 | epot = -15.0876820227094 | etot = -14.6424332452876 -70000 ekin = 0.085776901527188 | erot = 0.350775174164926 | epot = -15.0789853209741 | etot = -14.642433245282 -71000 ekin = 0.0797156921641233 | erot = 0.351208844245479 | epot = -15.0733577816928 | etot = -14.6424332452832 -72000 ekin = 0.0742409440407214 | erot = 0.354092037747167 | epot = -15.0707662270785 | etot = -14.6424332452906 -73000 ekin = 0.0695037498703868 | erot = 0.359146526961236 | epot = -15.0710835221349 | etot = -14.6424332453033 -74000 ekin = 0.0656184497426901 | erot = 0.366052769878701 | epot = -15.0741044649413 | etot = -14.6424332453199 -75000 ekin = 0.0626644690394278 | erot = 0.374467290033983 | epot = -15.0795650044125 | etot = -14.642433245339 -76000 ekin = 0.060689553509186 | erot = 0.384040683403435 | epot = -15.087163482272 | etot = -14.6424332453594 -77000 ekin = 0.0597139401241187 | erot = 0.39443549589289 | epot = -15.0965826813962 | etot = -14.6424332453792 -78000 ekin = 0.0597350629875202 | erot = 0.405343151481915 | epot = -15.107511459867 | etot = -14.6424332453976 -79000 ekin = 0.0607324264361026 | erot = 0.416499017642699 | epot = -15.1196646894919 | etot = -14.6424332454131 -80000 ekin = 0.0626722904954167 | erot = 0.42769463023874 | epot = -15.1328001661592 | etot = -14.6424332454251 -81000 ekin = 0.0655118235331535 | erot = 0.438786127849123 | epot = -15.1467311968152 | etot = -14.6424332454329 -82000 ekin = 0.0692024020836612 | erot = 0.449698113830619 | epot = -15.1613337613509 | etot = -14.6424332454367 -83000 ekin = 0.0736917936904891 | erot = 0.46042249074083 | epot = -15.1765475298676 | etot = -14.6424332454363 -84000 ekin = 0.0789250526542213 | erot = 0.471012272295178 | epot = -15.1923705703823 | etot = -14.6424332454329 -85000 ekin = 0.084844087874249 | erot = 0.481570908650499 | epot = -15.2088482419521 | etot = -14.6424332454274 -86000 ekin = 0.0913860133243872 | erot = 0.492238169206333 | epot = -15.2260574279515 | etot = -14.6424332454208 -87000 ekin = 0.0984805441186009 | erot = 0.503174014617464 | epot = -15.2440878041507 | etot = -14.6424332454146 -88000 ekin = 0.106046830302566 | erot = 0.514542076496851 | epot = -15.2630221522094 | etot = -14.64243324541 -89000 ekin = 0.113990204125935 | erot = 0.526494309539917 | epot = -15.2829177590739 | etot = -14.642433245408 -90000 ekin = 0.122199339149548 | erot = 0.539158097286353 | epot = -15.3037906818453 | etot = -14.6424332454094 -91000 ekin = 0.130544275968788 | erot = 0.552626637866356 | epot = -15.3256041592498 | etot = -14.6424332454146 -92000 ekin = 0.138875666145967 | erot = 0.566952900962782 | epot = -15.3482618125326 | etot = -14.6424332454239 -93000 ekin = 0.147025440611607 | erot = 0.582146933738072 | epot = -15.3716056197866 | etot = -14.642433245437 -94000 ekin = 0.154808946844651 | erot = 0.598175891801872 | epot = -15.3954180841001 | etot = -14.6424332454536 -95000 ekin = 0.162028449598904 | erot = 0.614965942454512 | epot = -15.4194276375267 | etot = -14.6424332454733 -96000 ekin = 0.168477779664558 | erot = 0.632405154082716 | epot = -15.4433161792427 | etot = -14.6424332454954 -97000 ekin = 0.173947863023514 | erot = 0.650346631629012 | epot = -15.466727740172 | etot = -14.6424332455195 -98000 ekin = 0.17823287500116 | erot = 0.668611435746641 | epot = -15.4892775562927 | etot = -14.6424332455449 -99000 ekin = 0.181136831923464 | erot = 0.686991165056919 | epot = -15.5105612425515 | etot = -14.6424332455712 -100000 ekin = 0.182480533640968 | erot = 0.70525041340853 | epot = -15.530164192647 | etot = -14.6424332455975 -101000 ekin = 0.182108871449626 | erot = 0.723129571004015 | epot = -15.5476716880769 | etot = -14.6424332456233 -102000 ekin = 0.179898581168333 | erot = 0.740348571091266 | epot = -15.5626803979072 | etot = -14.6424332456476 -103000 ekin = 0.175766517606564 | erot = 0.756612167826943 | epot = -15.5748119311029 | etot = -14.6424332456694 -104000 ekin = 0.169678431534366 | erot = 0.771617166852901 | epot = -15.5837288440747 | etot = -14.6424332456875 -105000 ekin = 0.16165803603624 | erot = 0.785061742963522 | epot = -15.5891530247003 | etot = -14.6424332457006 -106000 ekin = 0.1517958676503 | erot = 0.79665661342635 | epot = -15.5908857267839 | etot = -14.6424332457072 -107000 ekin = 0.140257112952973 | erot = 0.806137449199221 | epot = -15.5888278078584 | etot = -14.6424332457062 -108000 ekin = 0.12728724020187 | erot = 0.813277564483295 | epot = -15.5829980503819 | etot = -14.6424332456967 -109000 ekin = 0.113214025491873 | erot = 0.817899691736779 | epot = -15.5735469629067 | etot = -14.6424332456781 -110000 ekin = 0.098444482381739 | erot = 0.81988557805637 | epot = -15.5607633060887 | etot = -14.6424332456506 -111000 ekin = 0.0834553769378614 | erot = 0.819182262548248 | epot = -15.5450708851013 | etot = -14.6424332456151 -112000 ekin = 0.0687764915886159 | erot = 0.815804215096793 | epot = -15.5270139522589 | etot = -14.6424332455735 -113000 ekin = 0.0549665904044352 | erot = 0.809830999846637 | epot = -15.5072308357791 | etot = -14.642433245528 -114000 ekin = 0.0425830583135686 | erot = 0.801400700352864 | epot = -15.486417004148 | etot = -14.6424332454816 -115000 ekin = 0.032147280214672 | erot = 0.790699910050555 | epot = -15.4652804357027 | etot = -14.6424332454374 -116000 ekin = 0.0241087780358436 | erot = 0.777951546675731 | epot = -15.4444935701102 | etot = -14.6424332453986 -117000 ekin = 0.0188117102739906 | erot = 0.763402004774535 | epot = -15.4246469604164 | etot = -14.6424332453679 -118000 ekin = 0.0164673894168239 | erot = 0.747309167856823 | epot = -15.4062098026205 | etot = -14.6424332453469 -119000 ekin = 0.0171359296540405 | erot = 0.729932564574684 | epot = -15.3895017395652 | etot = -14.6424332453365 -120000 ekin = 0.0207190822436557 | erot = 0.711526526248979 | epot = -15.3746788538292 | etot = -14.6424332453366 -121000 ekin = 0.0269649552324791 | erot = 0.692336677371669 | epot = -15.3617348779504 | etot = -14.6424332453462 -122000 ekin = 0.0354839220302067 | erot = 0.67259957021192 | epot = -15.3505167376056 | etot = -14.6424332453635 -123000 ekin = 0.0457738626455522 | erot = 0.652544850162972 | epot = -15.3407519581945 | etot = -14.642433245386 -124000 ekin = 0.0572521324300914 | erot = 0.632399068063522 | epot = -15.3320844459048 | etot = -14.6424332454111 -125000 ekin = 0.0692913736007718 | erot = 0.612390156183436 | epot = -15.3241147752205 | etot = -14.6424332454363 -126000 ekin = 0.0812564128179042 | erot = 0.592751635107165 | epot = -15.3164412933838 | etot = -14.6424332454588 -127000 ekin = 0.0925398817831167 | erot = 0.573725774405778 | epot = -15.3086989016655 | etot = -14.6424332454767 -128000 ekin = 0.102594692019408 | erot = 0.555565138942016 | epot = -15.3005930764496 | etot = -14.6424332454881 -129000 ekin = 0.11096195387447 | erot = 0.538532171476867 | epot = -15.2919273708433 | etot = -14.642433245492 -130000 ekin = 0.117293279473245 | erot = 0.522896664452867 | epot = -15.2826231894136 | etot = -14.6424332454875 -131000 ekin = 0.121366644775215 | erot = 0.508931150171148 | epot = -15.2727310404211 | etot = -14.6424332454747 -132000 ekin = 0.123095155540091 | erot = 0.496904390905846 | epot = -15.2624327918999 | etot = -14.642433245454 -133000 ekin = 0.122528239671734 | erot = 0.487073282997867 | epot = -15.2520347680959 | etot = -14.6424332454263 -134000 ekin = 0.119845042601894 | erot = 0.479673601171197 | epot = -15.2419518891665 | etot = -14.6424332453934 -135000 ekin = 0.115340171967421 | erot = 0.474910093717031 | epot = -15.2326835110416 | etot = -14.6424332453571 -136000 ekin = 0.109402419285642 | erot = 0.472946484075328 | epot = -15.224782148681 | etot = -14.64243324532 -137000 ekin = 0.102487634022665 | erot = 0.473895929920059 | epot = -15.2188168092271 | etot = -14.6424332452844 -138000 ekin = 0.0950874634054126 | erot = 0.477812435585917 | epot = -15.2153331442443 | etot = -14.6424332452529 -139000 ekin = 0.0876961121518134 | erot = 0.484683617751174 | epot = -15.2148129751312 | etot = -14.6424332452282 -140000 ekin = 0.0807775418435475 | erot = 0.494425108540512 | epot = -15.2176358955961 | etot = -14.642433245212 -141000 ekin = 0.0747355681580414 | erot = 0.506876770810756 | epot = -15.2240455841751 | etot = -14.6424332452063 -142000 ekin = 0.0698891098451744 | erot = 0.521800821241298 | epot = -15.2341231762987 | etot = -14.6424332452123 -143000 ekin = 0.0664544171867047 | erot = 0.538881922426197 | epot = -15.247769584843 | etot = -14.6424332452301 -144000 ekin = 0.0645355104692778 | erot = 0.557729316021908 | epot = -15.2646980717509 | etot = -14.6424332452598 -145000 ekin = 0.0641233595163661 | erot = 0.577881111413867 | epot = -15.2844377162306 | etot = -14.6424332453003 -146000 ekin = 0.0651036077516285 | erot = 0.598810893852426 | epot = -15.3063477469543 | etot = -14.6424332453502 -147000 ekin = 0.0672719578975283 | erot = 0.619936843682121 | epot = -15.3296420469869 | etot = -14.6424332454073 -148000 ekin = 0.0703557492694452 | erot = 0.640633538190891 | epot = -15.3534225329293 | etot = -14.6424332454689 -149000 ekin = 0.0740398128645613 | erot = 0.66024652323733 | epot = -15.3767195816343 | etot = -14.6424332455324 -150000 ekin = 0.077994420106261 | erot = 0.678109590375523 | epot = -15.3985372560764 | etot = -14.6424332455946 -151000 ekin = 0.0819030604176878 | erot = 0.693564488647254 | epot = -15.4179007947176 | etot = -14.6424332456527 -152000 ekin = 0.08548789385576 | erot = 0.705982563002905 | epot = -15.4339037025625 | etot = -14.6424332457038 -153000 ekin = 0.0885310147333655 | erot = 0.714787575381006 | epot = -15.4457518358599 | etot = -14.6424332457455 -154000 ekin = 0.0908901012892495 | erot = 0.719478762726426 | epot = -15.4528021097914 | etot = -14.6424332457757 -155000 ekin = 0.0925075703718949 | erot = 0.719653046096655 | epot = -15.4545938622616 | etot = -14.642433245793 -156000 ekin = 0.0934129479732331 | erot = 0.71502524375301 | epot = -15.4508714375228 | etot = -14.6424332457966 -157000 ekin = 0.0937187435781837 | erot = 0.7054451639455 | epot = -15.4415971533099 | etot = -14.6424332457862 -158000 ekin = 0.0936106185394034 | erot = 0.690910554325068 | epot = -15.4269544186268 | etot = -14.6424332457623 -159000 ekin = 0.0933330174009798 | erot = 0.671575051659369 | epot = -15.4073413147861 | etot = -14.6424332457258 -160000 ekin = 0.0931716565239132 | erot = 0.647750492120475 | epot = -15.3833553943224 | etot = -14.6424332456781 -161000 ekin = 0.0934343296226144 | erot = 0.619903194016677 | epot = -15.3557707692603 | etot = -14.642433245621 -162000 ekin = 0.0944314104796785 | erot = 0.588644098979961 | epot = -15.3255087550165 | etot = -14.6424332455568 -163000 ekin = 0.0964572425730066 | erot = 0.554712943454524 | epot = -15.2936034315153 | etot = -14.6424332454878 -164000 ekin = 0.0997733472794833 | erot = 0.51895691856277 | epot = -15.2611635112587 | etot = -14.6424332454165 -165000 ekin = 0.104594102018619 | erot = 0.482304549423464 | epot = -15.2293318967876 | etot = -14.6424332453455 -166000 ekin = 0.111075276514824 | erot = 0.445735768513581 | epot = -15.1992442903059 | etot = -14.6424332452775 -167000 ekin = 0.119305597512052 | erot = 0.410249354729612 | epot = -15.1719881974565 | etot = -14.6424332452149 -168000 ekin = 0.12930135472349 | erot = 0.376829046180065 | epot = -15.1485636460635 | etot = -14.64243324516 -169000 ekin = 0.141003965788119 | erot = 0.346409702528372 | epot = -15.1298469134313 | etot = -14.6424332451148 -170000 ekin = 0.154280377438306 | erot = 0.319844892419105 | epot = -15.1165585149385 | etot = -14.6424332450811 -171000 ekin = 0.168926178619928 | erot = 0.297877221607854 | epot = -15.1092366452879 | etot = -14.6424332450601 -172000 ekin = 0.184671319362937 | erot = 0.281112611137901 | epot = -15.1082171755536 | etot = -14.6424332450527 -173000 ekin = 0.201188345435602 | erot = 0.269999595570589 | epot = -15.1136211860655 | etot = -14.6424332450593 -174000 ekin = 0.218103052205587 | erot = 0.264814547402911 | epot = -15.1253508446879 | etot = -14.6424332450794 -175000 ekin = 0.235007413034244 | erot = 0.265653545949627 | epot = -15.1430942040962 | etot = -14.6424332451123 -176000 ekin = 0.251474534266602 | erot = 0.272431389431356 | epot = -15.1663391688545 | etot = -14.6424332451566 -177000 ekin = 0.267075225142183 | erot = 0.284887984977502 | epot = -15.1943964553298 | etot = -14.6424332452101 -178000 ekin = 0.281395553894085 | erot = 0.302602030913778 | epot = -15.2264308300785 | etot = -14.6424332452706 -179000 ekin = 0.294054514410707 | erot = 0.325011526056011 | epot = -15.2614992858019 | etot = -14.6424332453351 -180000 ekin = 0.304720692895811 | erot = 0.351440214933808 | epot = -15.2985941532306 | etot = -14.6424332454009 -181000 ekin = 0.313126658917312 | erot = 0.381128639600623 | epot = -15.3366885439829 | etot = -14.6424332454649 -182000 ekin = 0.319079775822514 | erot = 0.413268071112208 | epot = -15.3747810924592 | etot = -14.6424332455245 -183000 ekin = 0.322468290004655 | erot = 0.447035301735044 | epot = -15.4119368373172 | etot = -14.6424332455775 -184000 ekin = 0.323261947553556 | erot = 0.481626155079162 | epot = -15.4473213482551 | etot = -14.6424332456224 -185000 ekin = 0.321506983529697 | erot = 0.516285658867075 | epot = -15.4802258880548 | etot = -14.642433245658 -186000 ekin = 0.317316057632531 | erot = 0.550333132629024 | epot = -15.5100824359458 | etot = -14.6424332456842 -187000 ekin = 0.310854440588904 | erot = 0.583180936762622 | epot = -15.5364686230528 | etot = -14.6424332457012 -188000 ekin = 0.30232432976273 | erot = 0.614346238386881 | epot = -15.5591038138594 | etot = -14.6424332457098 -189000 ekin = 0.291949445195852 | erot = 0.643455779015098 | epot = -15.5778384699219 | etot = -14.6424332457109 -190000 ekin = 0.279961942766932 | erot = 0.670244185707524 | epot = -15.5926393741803 | etot = -14.6424332457058 -191000 ekin = 0.266593185652274 | erot = 0.694546781237202 | epot = -15.6035732125848 | etot = -14.6424332456953 -192000 ekin = 0.252069141621896 | erot = 0.716288088791507 | epot = -15.6107904760939 | etot = -14.6424332456805 -193000 ekin = 0.2366102932526 | erot = 0.735467302247593 | epot = -15.6145108411624 | etot = -14.6424332456622 -194000 ekin = 0.220435149403491 | erot = 0.75214194303258 | epot = -15.6150103380771 | etot = -14.642433245641 -195000 ekin = 0.203765880091661 | erot = 0.766410799035626 | epot = -15.6126099247449 | etot = -14.6424332456176 -196000 ekin = 0.186834339035651 | erot = 0.778397083256526 | epot = -15.6076646678849 | etot = -14.6424332455927 -197000 ekin = 0.169886782292464 | erot = 0.788232586076187 | epot = -15.6005526139357 | etot = -14.642433245567 -198000 ekin = 0.153185871076301 | erot = 0.796043434544246 | epot = -15.5916625511619 | etot = -14.6424332455413 -199000 ekin = 0.137008972985795 | erot = 0.801937915803759 | epot = -15.5813801343063 | etot = -14.6424332455168 -200000 ekin = 0.121642272363314 | erot = 0.805996673265824 | epot = -15.5700721911236 | etot = -14.6424332454944 -201000 ekin = 0.107370722655147 | erot = 0.808265456810171 | epot = -15.5580694249409 | etot = -14.6424332454756 -202000 ekin = 0.0944644042380589 | erot = 0.808750524312638 | epot = -15.545648174012 | etot = -14.6424332454613 -203000 ekin = 0.0831623790884324 | erot = 0.807416772445363 | epot = -15.5330123969865 | etot = -14.6424332454527 -204000 ekin = 0.0736556272327789 | erot = 0.804188725420783 | epot = -15.5202775981043 | etot = -14.6424332454507 -205000 ekin = 0.066071040166988 | erot = 0.79895460735607 | epot = -15.5074588929788 | etot = -14.6424332454557 -206000 ekin = 0.0604586317676951 | erot = 0.79157380942372 | epot = -15.494465686659 | etot = -14.6424332454675 -207000 ekin = 0.0567840026879156 | erot = 0.781888054797388 | epot = -15.4811053029705 | etot = -14.6424332454852 -208000 ekin = 0.0549275971597975 | erot = 0.769736381378222 | epot = -15.4670972240452 | etot = -14.6424332455072 -209000 ekin = 0.054691444753414 | erot = 0.754973659532252 | epot = -15.4520983498168 | etot = -14.6424332455311 -210000 ekin = 0.0558130126770424 | erot = 0.737491764373083 | epot = -15.4357380226042 | etot = -14.6424332455541 -211000 ekin = 0.0579847210232219 | erot = 0.717241838878542 | epot = -15.4176598054751 | etot = -14.6424332455734 -212000 ekin = 0.0608768356197334 | erot = 0.694255492638095 | epot = -15.3975655738439 | etot = -14.642433245586 -213000 ekin = 0.0641610427072994 | erot = 0.66866247616279 | epot = -15.37525676446 | etot = -14.6424332455899 -214000 ekin = 0.0675321043575128 | erot = 0.64070249551818 | epot = -15.3506678454593 | etot = -14.6424332455836 -215000 ekin = 0.0707255336353422 | erot = 0.610729417268954 | epot = -15.3238881964709 | etot = -14.6424332455666 -216000 ekin = 0.0735300437817614 | erot = 0.579207054839019 | epot = -15.2951703441601 | etot = -14.6424332455393 -217000 ekin = 0.0757943994877641 | erot = 0.546696813211868 | epot = -15.2649244582025 | etot = -14.6424332455029 -218000 ekin = 0.0774290394165078 | erot = 0.51383845121943 | epot = -15.2337007360952 | etot = -14.6424332454593 -219000 ekin = 0.0784033323141758 | erot = 0.481325894964748 | epot = -15.2021624726897 | etot = -14.6424332454108 -220000 ekin = 0.0787395495607948 | erot = 0.449880299622387 | epot = -15.1710530945427 | etot = -14.6424332453595 -221000 ekin = 0.0785046319672525 | erot = 0.420222425160561 | epot = -15.1411603024357 | etot = -14.6424332453079 -222000 ekin = 0.0778006814269618 | erot = 0.393045972171563 | epot = -15.1132798988567 | etot = -14.6424332452582 -223000 ekin = 0.0767549035385332 | erot = 0.368992968911871 | epot = -15.0881811176628 | etot = -14.6424332452124 -224000 ekin = 0.0755095293703771 | erot = 0.348631757033118 | epot = -15.0665745315758 | etot = -14.6424332451723 -225000 ekin = 0.0742120885667612 | erot = 0.332437700429432 | epot = -15.0490830341357 | etot = -14.6424332451395 -226000 ekin = 0.0730063028693098 | erot = 0.320776497502258 | epot = -15.0362160454869 | etot = -14.6424332451153 -227000 ekin = 0.0720238140882299 | erot = 0.313889923629038 | epot = -15.0283469828185 | etot = -14.6424332451012 -228000 ekin = 0.0713769419939713 | erot = 0.311883945247486 | epot = -15.0256941323393 | etot = -14.6424332450978 -229000 ekin = 0.0711526728858612 | erot = 0.314719386439623 | epot = -15.0283053044314 | etot = -14.6424332451059 -230000 ekin = 0.0714080974066282 | erot = 0.32220563858993 | epot = -15.0360469811226 | etot = -14.6424332451261 -231000 ekin = 0.0721675361189904 | erot = 0.333998222201802 | epot = -15.0485990034788 | etot = -14.6424332451581 -232000 ekin = 0.073421602290549 | erot = 0.349601270465942 | epot = -15.0654561179577 | etot = -14.6424332452012 -233000 ekin = 0.0751284397505166 | erot = 0.368376135875933 | epot = -15.0859378208811 | etot = -14.6424332452547 -234000 ekin = 0.0772173235442522 | erot = 0.389557254433757 | epot = -15.1092078232945 | etot = -14.6424332453165 -235000 ekin = 0.0795947059802171 | erot = 0.412276079790421 | epot = -15.1343040311544 | etot = -14.6424332453838 -236000 ekin = 0.0821526186146683 | erot = 0.435593295647697 | epot = -15.160179159716 | etot = -14.6424332454537 -237000 ekin = 0.0847791014239972 | erot = 0.458538653864687 | epot = -15.1857510008109 | etot = -14.6424332455222 -238000 ekin = 0.087370042385855 | erot = 0.480156759886663 | epot = -15.209960047858 | etot = -14.6424332455854 -239000 ekin = 0.0898415153137564 | erot = 0.49955609555256 | epot = -15.2318308565057 | etot = -14.6424332456394 -240000 ekin = 0.0921414623535534 | erot = 0.515957735400968 | epot = -15.2505324434352 | etot = -14.6424332456807 -241000 ekin = 0.094259449014392 | erot = 0.528739776886534 | epot = -15.2654324716071 | etot = -14.6424332457062 -242000 ekin = 0.0962332805880934 | erot = 0.537473606136267 | epot = -15.2761401324386 | etot = -14.6424332457143 -243000 ekin = 0.0981515319338797 | erot = 0.541948785980249 | epot = -15.2825335636184 | etot = -14.6424332457043 -244000 ekin = 0.100151482351181 | erot = 0.542184479374293 | epot = -15.2847692074025 | etot = -14.642433245677 -245000 ekin = 0.102412491095747 | erot = 0.53842670231772 | epot = -15.2832724390477 | etot = -14.6424332456343 -246000 ekin = 0.105145395544779 | erot = 0.531132085866326 | epot = -15.2787107269898 | etot = -14.6424332455787 -247000 ekin = 0.108578961411965 | erot = 0.520939994206832 | epot = -15.2719522011324 | etot = -14.6424332455137 -248000 ekin = 0.112944688754503 | erot = 0.50863565229522 | epot = -15.2640135864927 | etot = -14.6424332454429 -249000 ekin = 0.118461348905117 | erot = 0.495107336753362 | epot = -15.256001931029 | etot = -14.6424332453705 -250000 ekin = 0.125320510713189 | erot = 0.48130071319677 | epot = -15.24905446921 | etot = -14.6424332453 -251000 ekin = 0.13367405695507 | erot = 0.468173145423505 | epot = -15.2442804476135 | etot = -14.6424332452349 -252000 ekin = 0.14362435587275 | erot = 0.456650355973621 | epot = -15.2427079570245 | etot = -14.6424332451781 -253000 ekin = 0.155217400154316 | erot = 0.447587277165273 | epot = -15.2452379224515 | etot = -14.6424332451319 -254000 ekin = 0.168438906844309 | erot = 0.441734376017195 | epot = -15.2526065279595 | etot = -14.642433245098 -255000 ekin = 0.183213121644152 | erot = 0.43971022735342 | epot = -15.265356594075 | etot = -14.6424332450774 -256000 ekin = 0.199403908832121 | erot = 0.441980689733431 | epot = -15.2838178436366 | etot = -14.642433245071 -257000 ekin = 0.216817638461841 | erot = 0.448844730305144 | epot = -15.308095613846 | etot = -14.642433245079 -258000 ekin = 0.235207399035704 | erot = 0.460426746275348 | epot = -15.3380673904121 | etot = -14.642433245101 -259000 ekin = 0.254278151366077 | erot = 0.476675120648602 | epot = -15.3733865171511 | etot = -14.6424332451364 -260000 ekin = 0.27369257667687 | erot = 0.497366691706637 | epot = -15.4134925135677 | etot = -14.6424332451842 -261000 ekin = 0.293077534073047 | erot = 0.522116767905255 | epot = -15.4576275472214 | etot = -14.6424332452431 -262000 ekin = 0.312031202020343 | erot = 0.550394247121191 | epot = -15.5048586944528 | etot = -14.6424332453112 -263000 ekin = 0.330131107615792 | erot = 0.58154128199962 | epot = -15.5541056350021 | etot = -14.6424332453866 -264000 ekin = 0.346943319969756 | erot = 0.61479677344706 | epot = -15.6041733388837 | etot = -14.6424332454669 -265000 ekin = 0.362033078254018 | erot = 0.649322794997101 | epot = -15.6537891188009 | etot = -14.6424332455498 -266000 ekin = 0.374977027495908 | erot = 0.684232889060489 | epot = -15.7016431621888 | etot = -14.6424332456324 -267000 ekin = 0.385377045180443 | erot = 0.718621072064117 | epot = -15.7464313629566 | etot = -14.642433245712 -268000 ekin = 0.392875374675087 | erot = 0.75159036946736 | epot = -15.7868989899283 | etot = -14.6424332457858 -269000 ekin = 0.397170471133826 | erot = 0.782279784278077 | epot = -15.8218835012632 | etot = -14.6424332458513 -270000 ekin = 0.39803266202252 | erot = 0.809888771679688 | epot = -15.8503546796085 | etot = -14.6424332459063 -271000 ekin = 0.395318487593041 | erot = 0.833698516715799 | epot = -15.8714502502577 | etot = -14.6424332459488 -272000 ekin = 0.388982474346436 | erot = 0.85308955191437 | epot = -15.8845052722382 | etot = -14.6424332459774 -273000 ekin = 0.379085147925793 | erot = 0.867555470410658 | epot = -15.8890738643275 | etot = -14.6424332459911 -274000 ekin = 0.365796322187783 | erot = 0.876712662634482 | epot = -15.8849422308119 | etot = -14.6424332459896 -275000 ekin = 0.349393082916365 | erot = 0.880306121918412 | epot = -15.872132450808 | etot = -14.6424332459733 -276000 ekin = 0.330252358900911 | erot = 0.878211432152944 | epot = -15.8508970369967 | etot = -14.6424332459429 -277000 ekin = 0.308838461215969 | erot = 0.87043308488023 | epot = -15.821704791996 | etot = -14.6424332458998 -278000 ekin = 0.285686394600485 | erot = 0.857099294887703 | epot = -15.7852189353341 | etot = -14.6424332458459 -279000 ekin = 0.26138204276351 | erot = 0.838453513182823 | epot = -15.7422688017294 | etot = -14.642433245783 -280000 ekin = 0.236540473323807 | erot = 0.814842890588987 | epot = -15.6938166096265 | etot = -14.6424332457138 -281000 ekin = 0.211783602606672 | erot = 0.786704032858688 | epot = -15.6409208811058 | etot = -14.6424332456404 -282000 ekin = 0.18771833727137 | erot = 0.754546508157259 | epot = -15.5846980909942 | etot = -14.6424332455655 -283000 ekin = 0.164916115091084 | erot = 0.718934708844117 | epot = -15.5262840694266 | etot = -14.6424332454914 -284000 ekin = 0.143894549222789 | erot = 0.680468811937684 | epot = -15.466796606581 | etot = -14.6424332454205 -285000 ekin = 0.125101678374108 | erot = 0.639765701845435 | epot = -15.4073006255745 | etot = -14.642433245355 -286000 ekin = 0.108903164109883 | erot = 0.597440790007762 | epot = -15.3487771994138 | etot = -14.6424332452962 -287000 ekin = 0.0955726645582656 | erot = 0.554091668601873 | epot = -15.2920975784058 | etot = -14.6424332452456 -288000 ekin = 0.0852855448042878 | erot = 0.51028445681865 | epot = -15.2380032468271 | etot = -14.6424332452042 -289000 ekin = 0.0781160413142908 | erot = 0.466543535619429 | epot = -15.187092822106 | etot = -14.6424332451723 -290000 ekin = 0.0740379578661526 | erot = 0.423345127585162 | epot = -15.1398163306014 | etot = -14.6424332451501 -291000 ekin = 0.07292891006789 | erot = 0.38111487943337 | epot = -15.0964770346382 | etot = -14.6424332451369 -292000 ekin = 0.0745780357973755 | erot = 0.340229271733751 | epot = -15.0572405526629 | etot = -14.6424332451317 -293000 ekin = 0.0786969407585494 | erot = 0.301020346544363 | epot = -15.0221505324362 | etot = -14.6424332451333 -294000 ekin = 0.0849334564747798 | erot = 0.263782947584644 | epot = -14.9911496491993 | etot = -14.6424332451399 -295000 ekin = 0.0928875723651302 | erot = 0.22878344880309 | epot = -14.9641042663181 | etot = -14.6424332451499 -296000 ekin = 0.102128697511331 | erot = 0.196268840383788 | epot = -14.9408307830568 | etot = -14.6424332451617 -297000 ekin = 0.11221325250056 | erot = 0.166475068215614 | epot = -14.9211215658898 | etot = -14.6424332451737 -298000 ekin = 0.122701527070309 | erot = 0.139633685444085 | epot = -14.904768457699 | etot = -14.6424332451846 -299000 ekin = 0.133172792913717 | erot = 0.115976150687844 | epot = -14.8915821887951 | etot = -14.6424332451935 -300000 ekin = 0.143237839709864 | erot = 0.0957354521197658 | epot = -14.8814065370295 | etot = -14.6424332451999 -301000 ekin = 0.152548387990851 | erot = 0.07914509087212 | epot = -14.8741267240666 | etot = -14.6424332452037 -302000 ekin = 0.160803184301524 | erot = 0.0664357608556835 | epot = -14.8696721903621 | etot = -14.6424332452049 -303000 ekin = 0.167750948488374 | erot = 0.0578302677258914 | epot = -14.8680144614182 | etot = -14.6424332452039 -304000 ekin = 0.173190665588555 | erot = 0.0535373136380679 | epot = -14.8691612244281 | etot = -14.6424332452015 -305000 ekin = 0.176969952950159 | erot = 0.0537447402922713 | epot = -14.8731479384405 | etot = -14.6424332451981 -306000 ekin = 0.178982363291678 | erot = 0.0586126977895342 | epot = -14.8800283062756 | etot = -14.6424332451944 -307000 ekin = 0.179164502945068 | erot = 0.0682670321079694 | epot = -14.8898647802439 | etot = -14.6424332451909 -308000 ekin = 0.177493763289069 | erot = 0.0827930029212249 | epot = -14.9027200113985 | etot = -14.6424332451882 -309000 ekin = 0.173987301152049 | erot = 0.10222929187336 | epot = -14.918649838212 | etot = -14.6424332451866 -310000 ekin = 0.168702678648352 | erot = 0.126562162218755 | epot = -14.9376980860534 | etot = -14.6424332451863 -311000 ekin = 0.161740297010225 | erot = 0.15571959340906 | epot = -14.9598931356066 | etot = -14.6424332451873 -312000 ekin = 0.153247440126399 | erot = 0.189565237979944 | epot = -14.9852459232961 | etot = -14.6424332451897 -313000 ekin = 0.143423389998623 | erot = 0.227892126762149 | epot = -15.0137487619545 | etot = -14.6424332451937 -314000 ekin = 0.132524706020311 | erot = 0.270416174781616 | epot = -15.045374126001 | etot = -14.6424332451991 -315000 ekin = 0.120869409554559 | erot = 0.31676970828961 | epot = -15.0800723630507 | etot = -14.6424332452065 -316000 ekin = 0.108838546106885 | erot = 0.366495437994255 | epot = -15.1177672293175 | etot = -14.6424332452163 -317000 ekin = 0.0968734934299726 | erot = 0.419041536808435 | epot = -15.1583482754675 | etot = -14.6424332452291 -318000 ekin = 0.0854675378572541 | erot = 0.473758725762824 | epot = -15.201659508866 | etot = -14.6424332452459 -319000 ekin = 0.0751507271474133 | erot = 0.529900497446511 | epot = -15.2474844698617 | etot = -14.6424332452678 -320000 ekin = 0.0664678443385179 | erot = 0.586627760737852 | epot = -15.2955288503723 | etot = -14.6424332452959 -321000 ekin = 0.0599504590581751 | erot = 0.643019202689424 | epot = -15.3454029070787 | etot = -14.6424332453311 -322000 ekin = 0.0560852142815241 | erot = 0.69808845326502 | epot = -15.3966069129205 | etot = -14.642433245374 -323000 ekin = 0.0552815181260046 | erot = 0.750808639914442 | epot = -15.4485234034646 | etot = -14.6424332454242 -324000 ekin = 0.0578423255211838 | erot = 0.800144112656325 | epot = -15.5004196836582 | etot = -14.6424332454807 -325000 ekin = 0.0639414864635107 | erot = 0.845088070114621 | epot = -15.5514628021198 | etot = -14.6424332455416 -326000 ekin = 0.0736101694204692 | erot = 0.884703689967839 | epot = -15.6007471049927 | etot = -14.6424332456044 -327000 ekin = 0.0867333560885398 | erot = 0.918165419814672 | epot = -15.6473320215695 | etot = -14.6424332456662 -328000 ekin = 0.103055779602205 | erot = 0.944796600226729 | epot = -15.690285625553 | etot = -14.6424332457241 -329000 ekin = 0.122195446168384 | erot = 0.964099781598493 | epot = -15.7287284735425 | etot = -14.6424332457756 -330000 ekin = 0.143662406707253 | erot = 0.975776996242511 | epot = -15.7618726487686 | etot = -14.6424332458188 -331000 ekin = 0.16688078513004 | erot = 0.979738667524168 | epot = -15.7890526985066 | etot = -14.6424332458524 -332000 ekin = 0.191212923965886 | erot = 0.976101405909884 | epot = -15.8097475757513 | etot = -14.6424332458756 -333000 ekin = 0.215985355315093 | erot = 0.965176233546684 | epot = -15.8235948347498 | etot = -14.642433245888 -334000 ekin = 0.240516656826274 | erot = 0.947449485120535 | epot = -15.830399387836 | etot = -14.6424332458892 -335000 ekin = 0.26414689608104 | erot = 0.923558676876203 | epot = -15.8301388188364 | etot = -14.6424332458792 -336000 ekin = 0.286267467748786 | erot = 0.89426518476866 | epot = -15.8229658983752 | etot = -14.6424332458578 -337000 ekin = 0.306349134744468 | erot = 0.860424939344321 | epot = -15.8092073199142 | etot = -14.6424332458254 -338000 ekin = 0.323965497668976 | erot = 0.822957838329794 | epot = -15.7893565817818 | etot = -14.642433245783 -339000 ekin = 0.338809250783254 | erot = 0.78281638015672 | epot = -15.7640588766721 | etot = -14.6424332457321 -340000 ekin = 0.35069944422809 | erot = 0.74095414130838 | epot = -15.7340868312114 | etot = -14.6424332456749 -341000 ekin = 0.359579293531018 | erot = 0.698295027836038 | epot = -15.7003075669809 | etot = -14.6424332456139 -342000 ekin = 0.365505462149712 | erot = 0.655704542038074 | epot = -15.6636432497397 | etot = -14.6424332455519 -343000 ekin = 0.368630832656515 | erot = 0.613964463467531 | epot = -15.6250285416158 | etot = -14.6424332454918 -344000 ekin = 0.369183369584766 | erot = 0.573752273081695 | epot = -15.5853688881025 | etot = -14.642433245436 -345000 ekin = 0.367443732820324 | erot = 0.535626361233062 | epot = -15.5455033394399 | etot = -14.6424332453865 -346000 ekin = 0.363723933128335 | erot = 0.500017626275246 | epot = -15.5061748047482 | etot = -14.6424332453447 -347000 ekin = 0.3583487052748 | erot = 0.467227585425602 | epot = -15.4680095360115 | etot = -14.6424332453111 -348000 ekin = 0.351640582952522 | erot = 0.437432666905881 | epot = -15.4315064951445 | etot = -14.6424332452861 -349000 ekin = 0.343909024693046 | erot = 0.41069398616734 | epot = -15.3970362561291 | etot = -14.6424332452687 -350000 ekin = 0.335443435967543 | erot = 0.386971649877949 | epot = -15.3648483311043 | etot = -14.6424332452588 -351000 ekin = 0.326509584093005 | erot = 0.366142474248723 | epot = -15.335085303596 | etot = -14.6424332452543 -352000 ekin = 0.317348699021852 | erot = 0.348019930398485 | epot = -15.3078018746744 | etot = -14.6424332452541 -353000 ekin = 0.30817846664876 | erot = 0.332375117499618 | epot = -15.2829868294052 | etot = -14.6424332452568 -354000 ekin = 0.299195119854683 | erot = 0.318957598137097 | epot = -15.2605859632527 | etot = -14.6424332452609 -355000 ekin = 0.290575888249358 | erot = 0.307515001368969 | epot = -15.2405241348835 | etot = -14.6424332452652 -356000 ekin = 0.282481160313138 | erot = 0.29781040621641 | epot = -15.222724811798 | etot = -14.6424332452685 -357000 ekin = 0.275055828994515 | erot = 0.289636664277668 | epot = -15.2071257385424 | etot = -14.6424332452703 -358000 ekin = 0.268429427255696 | erot = 0.282827006912643 | epot = -15.1936896794384 | etot = -14.6424332452701 -359000 ekin = 0.262714810202509 | erot = 0.277261507859007 | epot = -15.1824095633295 | etot = -14.642433245268 -360000 ekin = 0.258005302570141 | erot = 0.272869227750186 | epot = -15.1733077755848 | etot = -14.6424332452644 -361000 ekin = 0.254370400622431 | erot = 0.269626137803972 | epot = -15.1664297836866 | etot = -14.6424332452602 -362000 ekin = 0.251850290179243 | erot = 0.267549186090239 | epot = -15.1618327215257 | etot = -14.6424332452562 -363000 ekin = 0.250449609863295 | erot = 0.266687109599965 | epot = -15.159569964717 | etot = -14.6424332452537 -364000 ekin = 0.250131041863855 | erot = 0.267108788860278 | epot = -15.1596730759782 | etot = -14.642433245254 -365000 ekin = 0.250809442162592 | erot = 0.268890073930502 | epot = -15.1621327613513 | etot = -14.6424332452582 -366000 ekin = 0.252347318763925 | erot = 0.272100073008351 | epot = -15.1668806370397 | etot = -14.6424332452674 -367000 ekin = 0.254552520179183 | erot = 0.276787886821331 | epot = -15.1737736522827 | etot = -14.6424332452822 -368000 ekin = 0.257178996154117 | erot = 0.282970699525226 | epot = -15.1825829409825 | etot = -14.6424332453031 -369000 ekin = 0.25993142490973 | erot = 0.290624011144342 | epot = -15.1929886813841 | etot = -14.64243324533 -370000 ekin = 0.262474349327911 | erot = 0.299674631815262 | epot = -15.2045822265054 | etot = -14.6424332453622 -371000 ekin = 0.264446209429889 | erot = 0.309996869296908 | epot = -15.2168763241254 | etot = -14.6424332453986 -372000 ekin = 0.265478281863369 | erot = 0.321412142685491 | epot = -15.2293236699861 | etot = -14.6424332454373 -373000 ekin = 0.265218028292355 | erot = 0.333692059446813 | epot = -15.2413433332155 | etot = -14.6424332454763 -374000 ekin = 0.263355721250425 | erot = 0.346564809668647 | epot = -15.2523537764322 | etot = -14.6424332455131 -375000 ekin = 0.259652497503873 | erot = 0.359724567994869 | epot = -15.2618103110439 | etot = -14.6424332455452 -376000 ekin = 0.253967268937784 | erot = 0.372843454380806 | epot = -15.2692439688887 | etot = -14.6424332455701 -377000 ekin = 0.246279333501453 | erot = 0.385585491294785 | epot = -15.274298070382 | etot = -14.6424332455858 -378000 ekin = 0.236703249878221 | erot = 0.397621906698152 | epot = -15.2767584021673 | etot = -14.6424332455909 -379000 ekin = 0.225492756944939 | erot = 0.408647066931743 | epot = -15.2765730694618 | etot = -14.6424332455852 -380000 ekin = 0.213031377539219 | erot = 0.418394278996712 | epot = -15.2738589021049 | etot = -14.642433245569 -381000 ekin = 0.199808877315892 | erot = 0.426650676211857 | epot = -15.2688927990715 | etot = -14.6424332455438 -382000 ekin = 0.186384809019024 | erot = 0.433270396055851 | epot = -15.2620884505868 | etot = -14.642433245512 -383000 ekin = 0.173342616144098 | erot = 0.438185279050645 | epot = -15.253961140671 | etot = -14.6424332454763 -384000 ekin = 0.161239700831436 | erot = 0.441412371402807 | epot = -15.2450853176736 | etot = -14.6424332454394 -385000 ekin = 0.150559954647593 | erot = 0.443057612552847 | epot = -15.2360508126044 | etot = -14.6424332454039 -386000 ekin = 0.141675129699177 | erot = 0.443315241523115 | epot = -15.2274236165942 | etot = -14.6424332453719 -387000 ekin = 0.134820015697985 | erot = 0.442462667348824 | epot = -15.2197159283911 | etot = -14.6424332453443 -388000 ekin = 0.130083976413548 | erot = 0.440850813513903 | epot = -15.2133680352489 | etot = -14.6424332453215 -389000 ekin = 0.127418570237884 | erot = 0.43889024627901 | epot = -15.2087420618201 | etot = -14.6424332453032 -390000 ekin = 0.126658423093201 | erot = 0.437033702086081 | epot = -15.206125370468 | etot = -14.6424332452887 -391000 ekin = 0.127550804260996 | erot = 0.435755902066197 | epot = -15.2057399516044 | etot = -14.6424332452772 -392000 ekin = 0.129788752935801 | erot = 0.435531744058798 | epot = -15.2077537422629 | etot = -14.6424332452683 -393000 ekin = 0.133043055316258 | erot = 0.436814065078314 | epot = -15.2122903656559 | etot = -14.6424332452613 -394000 ekin = 0.136989561466103 | erot = 0.440012156511496 | epot = -15.219434963234 | etot = -14.6424332452564 -395000 ekin = 0.141329833042571 | erot = 0.445472096886692 | epot = -15.2292351751829 | etot = -14.6424332452537 -396000 ekin = 0.145804542777683 | erot = 0.453459767650238 | epot = -15.2416975556817 | etot = -14.6424332452538 -397000 ekin = 0.150200153189368 | erot = 0.464147173463313 | epot = -15.2567805719101 | etot = -14.6424332452574 -398000 ekin = 0.154350089767281 | erot = 0.477602441560301 | epot = -15.2743857765925 | etot = -14.6424332452649 -399000 ekin = 0.158131920623958 | erot = 0.493783661157258 | epot = -15.2943488270584 | etot = -14.6424332452772 -400000 ekin = 0.161462056175852 | erot = 0.512536568007644 | epot = -15.3164318694779 | etot = -14.6424332452944 -401000 ekin = 0.164289301183563 | erot = 0.533595989003439 | epot = -15.3403185355037 | etot = -14.6424332453167 -402000 ekin = 0.166588323053565 | erot = 0.556590928840414 | epot = -15.3656124972379 | etot = -14.642433245344 -403000 ekin = 0.168353810382881 | erot = 0.581053183644676 | epot = -15.3918402394035 | etot = -14.6424332453759 -404000 ekin = 0.169595821304602 | erot = 0.606429376023105 | epot = -15.4184584427394 | etot = -14.6424332454117 -405000 ekin = 0.17033657856555 | erot = 0.632096292540194 | epot = -15.4448661165559 | etot = -14.6424332454502 -406000 ekin = 0.170608761982357 | erot = 0.65737934451417 | epot = -15.4704213519868 | etot = -14.6424332454902 -407000 ekin = 0.170455178570774 | erot = 0.681573854093745 | epot = -15.4944622781949 | etot = -14.6424332455304 -408000 ekin = 0.169929554812993 | erot = 0.703968692150315 | epot = -15.5163314925321 | etot = -14.6424332455688 -409000 ekin = 0.169098093454308 | erot = 0.723871579520606 | epot = -15.5354029185787 | etot = -14.6424332456038 -410000 ekin = 0.168041369043254 | erot = 0.740635137247646 | epot = -15.5511097519244 | etot = -14.6424332456335 -411000 ekin = 0.166856102811026 | erot = 0.753682569970607 | epot = -15.562971918438 | etot = -14.6424332456564 -412000 ekin = 0.165656359034654 | erot = 0.762531725092731 | epot = -15.5706213297983 | etot = -14.642433245671 -413000 ekin = 0.164573741712539 | erot = 0.766816218739469 | epot = -15.5738232061283 | etot = -14.6424332456763 -414000 ekin = 0.163756240958007 | erot = 0.766302377571818 | epot = -15.5724918642016 | etot = -14.6424332456718 -415000 ekin = 0.163365479945299 | erot = 0.760900920225133 | epot = -15.5666996458276 | etot = -14.6424332456572 -416000 ekin = 0.163572240093361 | erot = 0.750672586700048 | epot = -15.5566780724264 | etot = -14.642433245633 -417000 ekin = 0.164550286198126 | erot = 0.735827297892139 | epot = -15.5428108296904 | etot = -14.6424332456002 -418000 ekin = 0.166468663391001 | erot = 0.716716857301867 | epot = -15.525618766253 | etot = -14.6424332455601 -419000 ekin = 0.169482781124152 | erot = 0.69382164910087 | epot = -15.5057376757396 | etot = -14.6424332455146 -420000 ekin = 0.173724722664366 | erot = 0.667732191685369 | epot = -15.4838901598155 | etot = -14.6424332454658 -421000 ekin = 0.179293310757479 | erot = 0.639126725583771 | epot = -15.4608532817569 | etot = -14.6424332454157 -422000 ekin = 0.186244514517565 | erot = 0.608746211201693 | epot = -15.4374239710859 | etot = -14.6424332453666 -423000 ekin = 0.194582798143041 | erot = 0.577368165579506 | epot = -15.4143842090433 | etot = -14.6424332453207 -424000 ekin = 0.204253993027957 | erot = 0.545780680988036 | epot = -15.392467919296 | etot = -14.64243324528 -425000 ekin = 0.215140228915595 | erot = 0.514757766833673 | epot = -15.372331240995 | etot = -14.6424332452458 -426000 ekin = 0.227057395196063 | erot = 0.485036881516669 | epot = -15.354527521932 | etot = -14.6424332452193 -427000 ekin = 0.239755526224872 | erot = 0.457299221562912 | epot = -15.3394879929894 | etot = -14.6424332452017 -428000 ekin = 0.252922416268501 | erot = 0.432153058136047 | epot = -15.3275087195977 | etot = -14.6424332451931 -429000 ekin = 0.266190667178472 | erot = 0.410120192009091 | epot = -15.318744104381 | etot = -14.6424332451935 -430000 ekin = 0.279148248284958 | erot = 0.391625457763427 | epot = -15.3132069512512 | etot = -14.6424332452028 -431000 ekin = 0.291352495292848 | erot = 0.37698914981175 | epot = -15.3107748903245 | etot = -14.6424332452199 -432000 ekin = 0.302347287569357 | erot = 0.36642225446733 | epot = -15.3112027872808 | etot = -14.6424332452441 -433000 ekin = 0.311682921770362 | erot = 0.360024429013509 | epot = -15.314140596057 | etot = -14.6424332452732 -434000 ekin = 0.318937954386234 | erot = 0.357784738271935 | epot = -15.3191559379639 | etot = -14.6424332453058 -435000 ekin = 0.323742037713894 | erot = 0.359585207274212 | epot = -15.3257604903287 | etot = -14.6424332453406 -436000 ekin = 0.325798554030488 | erot = 0.36520724530746 | epot = -15.3334390447139 | etot = -14.642433245376 -437000 ekin = 0.324905697096464 | erot = 0.374340922352109 | epot = -15.3416798648574 | etot = -14.6424332454088 -438000 ekin = 0.32097458985737 | erot = 0.386596930163185 | epot = -15.3500047654581 | etot = -14.6424332454376 -439000 ekin = 0.314043077745088 | erot = 0.401520852188919 | epot = -15.3579971753952 | etot = -14.6424332454612 -440000 ekin = 0.304283988018852 | erot = 0.418609132218188 | epot = -15.3653263657148 | etot = -14.6424332454778 -441000 ekin = 0.292006859109402 | erot = 0.437325916198087 | epot = -15.3717660207938 | etot = -14.6424332454863 -442000 ekin = 0.277652365812265 | erot = 0.457119792524783 | epot = -15.3772054038239 | etot = -14.6424332454868 -443000 ekin = 0.261778853587313 | erot = 0.477439412182564 | epot = -15.3816515112497 | etot = -14.6424332454798 -444000 ekin = 0.245040553430208 | erot = 0.497747053384035 | epot = -15.385220852281 | etot = -14.6424332454667 -445000 ekin = 0.228157260415726 | erot = 0.51752940821079 | epot = -15.3881199140755 | etot = -14.642433245449 -446000 ekin = 0.211875681724409 | erot = 0.536305196865493 | epot = -15.3906141240194 | etot = -14.6424332454295 -447000 ekin = 0.196923472676251 | erot = 0.553629632762795 | epot = -15.3929863508504 | etot = -14.6424332454113 -448000 ekin = 0.183958277875555 | erot = 0.569096233380591 | epot = -15.3954877566542 | etot = -14.642433245398 -449000 ekin = 0.17351577130814 | erot = 0.582336947161301 | epot = -15.3982859638623 | etot = -14.6424332453928 -450000 ekin = 0.165962361194715 | erot = 0.593021970155398 | epot = -15.4014175767483 | etot = -14.6424332453982 -451000 ekin = 0.161459280831074 | erot = 0.600860851258547 | epot = -15.4047533775047 | etot = -14.6424332454151 -452000 ekin = 0.159944578250399 | erot = 0.605606408084822 | epot = -15.4079842317782 | etot = -14.642433245443 -453000 ekin = 0.161137653112611 | erot = 0.607062496375706 | epot = -15.4106333949674 | etot = -14.6424332454791 -454000 ekin = 0.164567591511427 | erot = 0.605095779312731 | epot = -15.4120966163435 | etot = -14.6424332455193 -455000 ekin = 0.169622334208412 | erot = 0.59965045542677 | epot = -15.4117060351935 | etot = -14.6424332455583 -456000 ekin = 0.17561180235027 | erot = 0.590763702898776 | epot = -15.4088087508398 | etot = -14.6424332455907 -457000 ekin = 0.181835621982501 | erot = 0.578578749366117 | epot = -15.4028476169607 | etot = -14.6424332456121 -458000 ekin = 0.187645727031673 | erot = 0.563352302650952 | epot = -15.3934312753015 | etot = -14.6424332456189 -459000 ekin = 0.192495880386129 | erot = 0.545453717149971 | epot = -15.3803828431461 | etot = -14.64243324561 -460000 ekin = 0.195973381638787 | erot = 0.525354597711217 | epot = -15.3637612249357 | etot = -14.6424332455857 -461000 ekin = 0.197811920993003 | erot = 0.503609203462485 | epot = -15.343854370004 | etot = -14.6424332455485 -462000 ekin = 0.197887724921051 | erot = 0.480827560282181 | epot = -15.3211485307045 | etot = -14.6424332455013 -463000 ekin = 0.19620319848715 | erot = 0.457644248435948 | epot = -15.2962806923714 | etot = -14.6424332454483 -464000 ekin = 0.192863034127873 | erot = 0.434686220428325 | epot = -15.2699824999496 | etot = -14.6424332453934 -465000 ekin = 0.188047435824123 | erot = 0.412542760090272 | epot = -15.2430234412543 | etot = -14.6424332453399 -466000 ekin = 0.181986107554568 | erot = 0.391740010671155 | epot = -15.2161593635163 | etot = -14.6424332452906 -467000 ekin = 0.174935400199636 | erot = 0.372721626734198 | epot = -15.1900902721814 | etot = -14.6424332452475 -468000 ekin = 0.167159826103628 | erot = 0.355836258350725 | epot = -15.1654293296662 | etot = -14.6424332452119 -469000 ekin = 0.158918218023891 | erot = 0.341331890764694 | epot = -15.1426833539729 | etot = -14.6424332451843 -470000 ekin = 0.150454185654314 | erot = 0.329356584633373 | epot = -15.1222440154522 | etot = -14.6424332451645 -471000 ekin = 0.141990180750326 | erot = 0.319964871776615 | epot = -15.104388297679 | etot = -14.6424332451521 -472000 ekin = 0.133724353868926 | erot = 0.313128906245008 | epot = -15.0892865052598 | etot = -14.6424332451459 -473000 ekin = 0.125829398102403 | erot = 0.308753392324136 | epot = -15.0770160355714 | etot = -14.6424332451449 -474000 ekin = 0.118452666363553 | erot = 0.306693264413754 | epot = -15.0675791759249 | etot = -14.6424332451476 -475000 ekin = 0.111716976219115 | erot = 0.30677305329061 | epot = -15.0609232746625 | etot = -14.6424332451527 -476000 ekin = 0.105721655633337 | erot = 0.308806833537562 | epot = -15.0569617343299 | etot = -14.642433245159 -477000 ekin = 0.100543523675758 | erot = 0.312617617130229 | epot = -15.0555943859711 | etot = -14.6424332451651 -478000 ekin = 0.0962376398644811 | erot = 0.31805505563526 | epot = -15.0567259406697 | etot = -14.64243324517 -479000 ekin = 0.0928377950024532 | erot = 0.325010357030093 | epot = -15.0602813972057 | etot = -14.6424332451731 -480000 ekin = 0.0903568546345998 | erot = 0.333427427763264 | epot = -15.0662175275719 | etot = -14.642433245174 -481000 ekin = 0.0887871989358601 | erot = 0.343309423709768 | epot = -15.074529867818 | etot = -14.6424332451724 -482000 ekin = 0.0881016191320375 | erot = 0.354720133057113 | epot = -15.0852549973577 | etot = -14.6424332451685 -483000 ekin = 0.0882551127439699 | erot = 0.367779908272474 | epot = -15.0984682661793 | etot = -14.6424332451629 -484000 ekin = 0.0891880440138163 | erot = 0.382656193507622 | epot = -15.1142774826775 | etot = -14.642433245156 -485000 ekin = 0.0908310739109982 | erot = 0.399549033146323 | epot = -15.132813352206 | etot = -14.6424332451486 -486000 ekin = 0.0931120890990551 | erot = 0.41867226992318 | epot = -15.1542176041638 | etot = -14.6424332451416 -487000 ekin = 0.095965052639277 | erot = 0.440231422321074 | epot = -15.1786297200962 | etot = -14.6424332451358 -488000 ekin = 0.0993402613867534 | erot = 0.464399451384565 | epot = -15.2061729579035 | etot = -14.6424332451322 -489000 ekin = 0.103214957397693 | erot = 0.491291775403353 | epot = -15.2369399779327 | etot = -14.6424332451317 -490000 ekin = 0.107602676597199 | erot = 0.520941965498321 | epot = -15.2709778872308 | etot = -14.6424332451353 -491000 ekin = 0.112559247664636 | erot = 0.553279563917093 | epot = -15.3082720567258 | etot = -14.6424332451441 -492000 ekin = 0.11818313672361 | erot = 0.588111425308605 | epot = -15.3487278071918 | etot = -14.6424332451596 -493000 ekin = 0.124608040126391 | erot = 0.625107908279146 | epot = -15.3921491935888 | etot = -14.6424332451833 -494000 ekin = 0.131986393312571 | erot = 0.663795156035298 | epot = -15.4382147945647 | etot = -14.6424332452168 -495000 ekin = 0.140463823900169 | erot = 0.703554605721933 | epot = -15.4864516748842 | etot = -14.6424332452621 -496000 ekin = 0.150146408035849 | erot = 0.743630741563392 | epot = -15.5362103949194 | etot = -14.6424332453202 -497000 ekin = 0.161064579071324 | erot = 0.783147917317811 | epot = -15.586645741781 | etot = -14.6424332453918 -498000 ekin = 0.173139219157391 | erot = 0.821136754973018 | epot = -15.6367092196067 | etot = -14.6424332454763 -499000 ekin = 0.186156317833388 | erot = 0.856570103856968 | epot = -15.6851596672616 | etot = -14.6424332455712 -500000 ekin = 0.199756195068939 | erot = 0.888407758274321 | epot = -15.730597199016 | etot = -14.6424332456728 -501000 ekin = 0.213441517837342 | erot = 0.915648078733143 | epot = -15.7715228423457 | etot = -14.6424332457753 -502000 ekin = 0.226605416598005 | erot = 0.937383433649483 | epot = -15.8064220961193 | etot = -14.6424332458719 -503000 ekin = 0.238577508977599 | erot = 0.952855183125227 | epot = -15.8338659380581 | etot = -14.6424332459553 -504000 ekin = 0.248682347016338 | erot = 0.961503066788675 | epot = -15.8526186598237 | etot = -14.6424332460187 -505000 ekin = 0.256302488969596 | erot = 0.963003656366976 | epot = -15.8617393913932 | etot = -14.6424332460566 -506000 ekin = 0.260937583144194 | erot = 0.957293217920897 | epot = -15.8606640471307 | etot = -14.6424332460656 -507000 ekin = 0.262251679299244 | erot = 0.944571918258912 | epot = -15.849256843603 | etot = -14.6424332460448 -508000 ekin = 0.260103184111408 | erot = 0.925288564934742 | epot = -15.8278249950421 | etot = -14.6424332459959 -509000 ekin = 0.25455487528045 | erot = 0.900107536938111 | epot = -15.7970956581414 | etot = -14.6424332459228 -510000 ekin = 0.245864483348181 | erot = 0.869861717985596 | epot = -15.7581594471648 | etot = -14.642433245831 -511000 ekin = 0.234458914526881 | erot = 0.835496660126654 | epot = -15.7123888203807 | etot = -14.6424332457271 -512000 ekin = 0.220896820239973 | erot = 0.798011684066058 | epot = -15.6613417499238 | etot = -14.6424332456178 -513000 ekin = 0.205824805087872 | erot = 0.758403224578473 | epot = -15.6066612751758 | etot = -14.6424332455094 -514000 ekin = 0.189932244116162 | erot = 0.717614706860426 | epot = -15.5499801963839 | etot = -14.6424332454073 -515000 ekin = 0.173908748199766 | erot = 0.676495918872675 | epot = -15.4928379123882 | etot = -14.6424332453158 -516000 ekin = 0.158407108508993 | erot = 0.635773516025409 | epot = -15.4366138697724 | etot = -14.642433245238 -517000 ekin = 0.144013350183893 | erot = 0.59603314911818 | epot = -15.3824797444781 | etot = -14.642433245176 -518000 ekin = 0.131224514118005 | erot = 0.557712825688994 | epot = -15.3313705849372 | etot = -14.6424332451302 -519000 ekin = 0.120434042405824 | erot = 0.521106495597738 | epot = -15.283973783104 | etot = -14.6424332451004 -520000 ekin = 0.111924165176706 | erot = 0.486376443199764 | epot = -15.2407338534617 | etot = -14.6424332450853 -521000 ekin = 0.105864424815879 | erot = 0.453572806060429 | epot = -15.2018704759591 | etot = -14.6424332450828 -522000 ekin = 0.102315362067395 | erot = 0.422658367131502 | epot = -15.1674069742898 | etot = -14.6424332450909 -523000 ekin = 0.101236366465181 | erot = 0.393536647096984 | epot = -15.137206258669 | etot = -14.6424332451068 -524000 ekin = 0.102496717236757 | erot = 0.366081244308208 | epot = -15.1110112066728 | etot = -14.6424332451278 -525000 ekin = 0.105888887336051 | erot = 0.340164343214671 | epot = -15.0884864757019 | etot = -14.6424332451512 -526000 ekin = 0.111143247850943 | erot = 0.315682368378665 | epot = -15.0692588614045 | etot = -14.6424332451749 -527000 ekin = 0.117943398962438 | erot = 0.29257693780699 | epot = -15.0529535819665 | etot = -14.642433245197 -528000 ekin = 0.12594147425583 | erot = 0.270849598243837 | epot = -15.0392243177155 | etot = -14.6424332452158 -529000 ekin = 0.134772916010411 | erot = 0.250569317239496 | epot = -15.0277754784804 | etot = -14.6424332452305 -530000 ekin = 0.144070383403777 | erot = 0.231872340652232 | epot = -15.0183759692968 | etot = -14.6424332452408 -531000 ekin = 0.153476601970705 | erot = 0.214954741435346 | epot = -15.010864588653 | etot = -14.6424332452469 -532000 ekin = 0.162656054078974 | erot = 0.20005869764927 | epot = -15.0051479969776 | etot = -14.6424332452493 -533000 ekin = 0.171305419081562 | erot = 0.187454143184885 | epot = -15.0011928075152 | etot = -14.6424332452488 -534000 ekin = 0.179162595540481 | erot = 0.1774178426953 | epot = -14.9990136834821 | etot = -14.6424332452463 -535000 ekin = 0.186014006486751 | erot = 0.170212094444198 | epot = -14.9986593461735 | etot = -14.6424332452426 -536000 ekin = 0.191699759240504 | erot = 0.16606514922825 | epot = -15.0001981537073 | etot = -14.6424332452386 -537000 ekin = 0.1961161699316 | erot = 0.165155084981448 | epot = -15.0037045001479 | etot = -14.6424332452348 -538000 ekin = 0.199215220533753 | erot = 0.167598364573304 | epot = -15.0092468303391 | etot = -14.642433245232 -539000 ekin = 0.201000709669645 | erot = 0.173443713619011 | epot = -15.0168776685194 | etot = -14.6424332452308 -540000 ekin = 0.20152116403808 | erot = 0.182671367033565 | epot = -15.0266257763029 | etot = -14.6424332452312 -541000 ekin = 0.200859940141561 | erot = 0.195197211442919 | epot = -15.0384903968184 | etot = -14.642433245234 -542000 ekin = 0.199123298889081 | erot = 0.210880936223622 | epot = -15.0524374803517 | etot = -14.642433245239 -543000 ekin = 0.196427519384058 | erot = 0.229537017789335 | epot = -15.0683977824196 | etot = -14.6424332452462 -544000 ekin = 0.192886294945247 | erot = 0.250947202002153 | epot = -15.0862667422037 | etot = -14.6424332452563 -545000 ekin = 0.18859971088744 | erot = 0.274873110235068 | epot = -15.105906066391 | etot = -14.6424332452685 -546000 ekin = 0.183646045242699 | erot = 0.301067663118862 | epot = -15.1271469536444 | etot = -14.6424332452828 -547000 ekin = 0.178077473818675 | erot = 0.329284179373474 | epot = -15.149794898491 | etot = -14.6424332452988 -548000 ekin = 0.171920510267319 | erot = 0.359282253783652 | epot = -15.173636009367 | etot = -14.642433245316 -549000 ekin = 0.165181670578008 | erot = 0.390829837831177 | epot = -15.1984447537429 | etot = -14.6424332453337 -550000 ekin = 0.157858408655514 | erot = 0.42370132691765 | epot = -15.2239929809246 | etot = -14.6424332453514 -551000 ekin = 0.149954809005953 | erot = 0.457671882716406 | epot = -15.2500599370906 | etot = -14.6424332453683 -552000 ekin = 0.141500835823185 | erot = 0.492508662660431 | epot = -15.2764427438672 | etot = -14.6424332453836 -553000 ekin = 0.132573145481933 | erot = 0.527960055124278 | epot = -15.302966446003 | etot = -14.6424332453968 -554000 ekin = 0.123314645148986 | erot = 0.563744383269626 | epot = -15.3294922738258 | etot = -14.6424332454072 -555000 ekin = 0.113949270903175 | erot = 0.599539792623648 | epot = -15.3559223089416 | etot = -14.6424332454148 -556000 ekin = 0.104788088807786 | erot = 0.634977129563658 | epot = -15.3821984637915 | etot = -14.64243324542 -557000 ekin = 0.0962230654780946 | erot = 0.669637513724504 | epot = -15.4082938246265 | etot = -14.6424332454239 -558000 ekin = 0.0887059614428478 | erot = 0.70305599048067 | epot = -15.4341951973515 | etot = -14.642433245428 -559000 ekin = 0.082711884774194 | erot = 0.734732129424159 | epot = -15.4598772596328 | etot = -14.6424332454344 -560000 ekin = 0.0786899547259911 | erot = 0.764147748398984 | epot = -15.4852709485702 | etot = -14.6424332454453 -561000 ekin = 0.0770067720633791 | erot = 0.790791153076129 | epot = -15.5102311706017 | etot = -14.6424332454622 -562000 ekin = 0.0778911706764789 | erot = 0.814186471629281 | epot = -15.5345108877919 | etot = -14.6424332454862 -563000 ekin = 0.0813901113673084 | erot = 0.83392592548323 | epot = -15.5577492823674 | etot = -14.6424332455168 -564000 ekin = 0.0873448530219544 | erot = 0.849702302565905 | epot = -15.5794804011399 | etot = -14.642433245552 -565000 ekin = 0.0953935152543308 | erot = 0.861338569497384 | epot = -15.59916533034 | etot = -14.6424332455883 -566000 ekin = 0.105001366119722 | erot = 0.868811531657507 | epot = -15.6162461433985 | etot = -14.6424332456212 -567000 ekin = 0.11551478921087 | erot = 0.872266750928371 | epot = -15.6302147857853 | etot = -14.6424332456461 -568000 ekin = 0.126230320990598 | erot = 0.872022546761245 | epot = -15.6406861134104 | etot = -14.6424332456586 -569000 ekin = 0.1364675752055 | erot = 0.868561781938193 | epot = -15.6474626027995 | etot = -14.6424332456558 -570000 ekin = 0.145634823229284 | erot = 0.862511177263077 | epot = -15.650579246129 | etot = -14.6424332456367 -571000 ekin = 0.153278250260132 | erot = 0.854608991356468 | epot = -15.6503204872187 | etot = -14.6424332456021 -572000 ekin = 0.159109636953965 | erot = 0.845662918617004 | epot = -15.6472058011259 | etot = -14.6424332455549 -573000 ekin = 0.163011362017409 | erot = 0.836500892320213 | epot = -15.6419454998373 | etot = -14.6424332454997 -574000 ekin = 0.165021239080183 | erot = 0.82791805820557 | epot = -15.6353725427275 | etot = -14.6424332454418 -575000 ekin = 0.165302195908647 | erot = 0.820623479704516 | epot = -15.6283589210001 | etot = -14.6424332453869 -576000 ekin = 0.164102988101242 | erot = 0.815190165399292 | epot = -15.6217263988412 | etot = -14.6424332453406 -577000 ekin = 0.161716152387198 | erot = 0.812011817944906 | epot = -15.6161612156399 | etot = -14.6424332453078 -578000 ekin = 0.15843856937185 | erot = 0.811269345694985 | epot = -15.6121411603585 | etot = -14.6424332452916 -579000 ekin = 0.154538688869395 | erot = 0.812909695781084 | epot = -15.6098816299448 | etot = -14.6424332452944 -580000 ekin = 0.150232988454514 | erot = 0.816638977242154 | epot = -15.6093052110128 | etot = -14.6424332453162 -581000 ekin = 0.145672809814998 | erot = 0.82193113541131 | epot = -15.6100371905821 | etot = -14.6424332453558 -582000 ekin = 0.140941476791536 | erot = 0.828052590351175 | epot = -15.6114273125529 | etot = -14.6424332454102 -583000 ekin = 0.136060602599188 | erot = 0.834102246896661 | epot = -15.6125960949711 | etot = -14.6424332454752 -584000 ekin = 0.131003759896606 | erot = 0.839065139158589 | epot = -15.6125021446008 | etot = -14.6424332455456 -585000 ekin = 0.125715216483023 | erot = 0.841876757449347 | epot = -15.6100252195477 | etot = -14.6424332456153 -586000 ekin = 0.120131224768948 | erot = 0.841493945667052 | epot = -15.6040584161145 | etot = -14.6424332456785 -587000 ekin = 0.114201380572127 | erot = 0.836967317754023 | epot = -15.5936019440556 | etot = -14.6424332457295 -588000 ekin = 0.10790780822673 | erot = 0.827509595983478 | epot = -15.5778506499738 | etot = -14.6424332457636 -589000 ekin = 0.101280337909716 | erot = 0.812554260673813 | epot = -15.5562678443608 | etot = -14.6424332457773 -590000 ekin = 0.0944063548788227 | erot = 0.791799488420743 | epot = -15.5286390890684 | etot = -14.6424332457688 -591000 ekin = 0.0874345511051893 | erot = 0.765233519223455 | epot = -15.4951013160664 | etot = -14.6424332457378 -592000 ekin = 0.0805723392084907 | erot = 0.733139214285358 | epot = -15.4561447991799 | etot = -14.642433245686 -593000 ekin = 0.0740771594080655 | erot = 0.696077455348817 | epot = -15.4125878603734 | etot = -14.6424332456166 -594000 ekin = 0.0682423089599614 | erot = 0.654850963358217 | epot = -15.3655265178521 | etot = -14.642433245534 -595000 ekin = 0.0633782539014331 | erot = 0.610451848323659 | epot = -15.3162633476688 | etot = -14.6424332454437 -596000 ekin = 0.0597906540649347 | erot = 0.563997548401148 | epot = -15.2662214478178 | etot = -14.6424332453517 -597000 ekin = 0.0577565493623858 | erot = 0.516660644084273 | epot = -15.2168504387106 | etot = -14.642433245264 -598000 ekin = 0.0575003158536081 | erot = 0.469598294353632 | epot = -15.1695318553934 | etot = -14.6424332451862 -599000 ekin = 0.0591710965286251 | erot = 0.423886769451064 | epot = -15.1254911111027 | etot = -14.642433245123 -600000 ekin = 0.0628234356891045 | erot = 0.380465849281436 | epot = -15.0857225300487 | etot = -14.6424332450781 -601000 ekin = 0.0684027903378417 | erot = 0.340096852289044 | epot = -15.0509328876805 | etot = -14.6424332450536 -602000 ekin = 0.0757374499129008 | erot = 0.303336891508804 | epot = -15.0215075864718 | etot = -14.6424332450501 -603000 ekin = 0.0845381560106984 | erot = 0.270530726252426 | epot = -14.9975021273296 | etot = -14.6424332450665 -604000 ekin = 0.0944063594078355 | erot = 0.241820347963454 | epot = -14.9786599524715 | etot = -14.6424332451002 -605000 ekin = 0.104851562460566 | erot = 0.217171224791036 | epot = -14.9644560323985 | etot = -14.6424332451469 -606000 ekin = 0.115317556389835 | erot = 0.196412930356103 | epot = -14.954163731947 | etot = -14.6424332452011 -607000 ekin = 0.125216580353275 | erot = 0.179290709847405 | epot = -14.9469405354574 | etot = -14.6424332452567 -608000 ekin = 0.133969542490564 | erot = 0.165523445157646 | epot = -14.9419262329554 | etot = -14.6424332453072 -609000 ekin = 0.141049537028518 | erot = 0.15486258226509 | epot = -14.9383453646398 | etot = -14.6424332453462 -610000 ekin = 0.146025095175949 | erot = 0.147146040888439 | epot = -14.935604381433 | etot = -14.6424332453686 -611000 ekin = 0.148599079335757 | erot = 0.142341118193739 | epot = -14.9333734429002 | etot = -14.6424332453707 -612000 ekin = 0.148639027542241 | erot = 0.140571068727528 | epot = -14.9316433416205 | etot = -14.6424332453507 -613000 ekin = 0.146195193893338 | erot = 0.142121441395774 | epot = -14.9307498805986 | etot = -14.6424332453095 -614000 ekin = 0.141503544705058 | erot = 0.147424293659482 | epot = -14.9313610836148 | etot = -14.6424332452503 -615000 ekin = 0.134972482669589 | erot = 0.157020849768843 | epot = -14.9344265776168 | etot = -14.6424332451783 -616000 ekin = 0.127153892887477 | erot = 0.17150567977268 | epot = -14.9410928177609 | etot = -14.6424332451008 -617000 ekin = 0.118700960497215 | erot = 0.191457667915335 | epot = -14.9525918734382 | etot = -14.6424332450256 -618000 ekin = 0.110316794781948 | erot = 0.21736458449167 | epot = -14.9701146242348 | etot = -14.6424332449612 -619000 ekin = 0.102698942666097 | erot = 0.249548776233835 | epot = -14.994680963815 | etot = -14.6424332449151 -620000 ekin = 0.0964852203315631 | erot = 0.288101317493937 | epot = -15.0270197827191 | etot = -14.6424332448936 -621000 ekin = 0.0922059091526162 | erot = 0.332831044367888 | epot = -15.0674701984216 | etot = -14.6424332449011 -622000 ekin = 0.090246364710084 | erot = 0.383233451864307 | epot = -15.1159130615138 | etot = -14.6424332449395 -623000 ekin = 0.0908226920702867 | erot = 0.438482716268118 | epot = -15.1717386533468 | etot = -14.6424332450084 -624000 ekin = 0.0939716062521641 | erot = 0.497448307340739 | epot = -15.2338531586981 | etot = -14.6424332451052 -625000 ekin = 0.0995541611224816 | erot = 0.558735886785548 | epot = -15.3007232931327 | etot = -14.6424332452247 -626000 ekin = 0.107271859325762 | erot = 0.620750477457381 | epot = -15.3704555821432 | etot = -14.6424332453601 -627000 ekin = 0.116692826737646 | erot = 0.681778220901968 | epot = -15.440904293143 | etot = -14.6424332455034 -628000 ekin = 0.127285245273582 | erot = 0.740081431770171 | epot = -15.5097999226893 | etot = -14.6424332456456 -629000 ekin = 0.138455039153843 | erot = 0.794000196771077 | epot = -15.5748884817029 | etot = -14.6424332457779 -630000 ekin = 0.149584842937087 | erot = 0.84205264024076 | epot = -15.63407072907 | etot = -14.6424332458922 -631000 ekin = 0.160071499853009 | erot = 0.88302544287862 | epot = -15.6855301887133 | etot = -14.6424332459817 -632000 ekin = 0.169359720292754 | erot = 0.916046503426999 | epot = -15.7278394697613 | etot = -14.6424332460416 -633000 ekin = 0.176970053692527 | erot = 0.94063292294126 | epot = -15.7600362227031 | etot = -14.6424332460693 -634000 ekin = 0.182519961289934 | erot = 0.956709735134238 | epot = -15.7816629424889 | etot = -14.6424332460647 -635000 ekin = 0.185737466035627 | erot = 0.964597760206567 | epot = -15.7927684722724 | etot = -14.6424332460302 -636000 ekin = 0.186467519303287 | erot = 0.964972204256552 | epot = -15.79387296953 | etot = -14.6424332459701 -637000 ekin = 0.184671774604466 | erot = 0.958796660376671 | epot = -15.7859016808713 | etot = -14.6424332458901 -638000 ekin = 0.180422825778035 | erot = 0.947239527073052 | epot = -15.7700955986478 | etot = -14.6424332457967 -639000 ekin = 0.173894119064837 | erot = 0.931581224196235 | epot = -15.747908588958 | etot = -14.642433245697 -640000 ekin = 0.165346701827782 | erot = 0.91312083875339 | epot = -15.7209007861784 | etot = -14.6424332455972 -641000 ekin = 0.155113786103692 | erot = 0.893090060089671 | epot = -15.6906370916964 | etot = -14.6424332455031 -642000 ekin = 0.143583869244217 | erot = 0.872580710306169 | epot = -15.6585978249696 | etot = -14.6424332454192 -643000 ekin = 0.131182953689566 | erot = 0.852490168054334 | epot = -15.6261063670926 | etot = -14.6424332453487 -644000 ekin = 0.118356305761173 | erot = 0.833486853990269 | epot = -15.5942764050451 | etot = -14.6424332452937 -645000 ekin = 0.105550209085081 | erot = 0.815995971212791 | epot = -15.5639794255527 | etot = -14.6424332452548 -646000 ekin = 0.0931942744194625 | erot = 0.800204061931269 | epot = -15.5358315815826 | etot = -14.6424332452318 -647000 ekin = 0.0816850001800769 | erot = 0.786079744440999 | epot = -15.5101979898444 | etot = -14.6424332452233 -648000 ekin = 0.0713713598437978 | erot = 0.773407243193285 | epot = -15.4872118482646 | etot = -14.6424332452275 -649000 ekin = 0.0625431628717075 | erot = 0.761828976530965 | epot = -15.4668053846445 | etot = -14.6424332452418 -650000 ekin = 0.0554227735503044 | erot = 0.750893453414529 | epot = -15.4487494722282 | etot = -14.6424332452633 -651000 ekin = 0.0501605027658098 | erot = 0.74010497844913 | epot = -15.4326987265041 | etot = -14.6424332452892 -652000 ekin = 0.0468336713663308 | erot = 0.728972100421486 | epot = -15.4182390171043 | etot = -14.6424332453165 -653000 ekin = 0.0454490492573673 | erot = 0.717052285945908 | epot = -15.4049345805457 | etot = -14.6424332453424 -654000 ekin = 0.0459481524943306 | erot = 0.703990869784824 | epot = -15.3923722676438 | etot = -14.6424332453647 -655000 ekin = 0.048214749528602 | erot = 0.689552835107499 | epot = -15.3802008300172 | etot = -14.6424332453811 -656000 ekin = 0.0520838761262338 | erot = 0.673646332749968 | epot = -15.3681634542667 | etot = -14.6424332453905 -657000 ekin = 0.0573516620848271 | erot = 0.656337023115609 | epot = -15.356121930592 | etot = -14.6424332453915 -658000 ekin = 0.0637853134927773 | erot = 0.637852348219684 | epot = -15.3440709070967 | etot = -14.6424332453842 -659000 ekin = 0.0711326702869463 | erot = 0.618574815847903 | epot = -15.3321407315039 | etot = -14.642433245369 -660000 ekin = 0.0791308828100933 | erot = 0.59902345470884 | epot = -15.3205875828664 | etot = -14.6424332453475 -661000 ekin = 0.0875139366233532 | erot = 0.57982293974752 | epot = -15.3097701216927 | etot = -14.6424332453218 -662000 ekin = 0.096019000419939 | erot = 0.56166061034769 | epot = -15.3001128560625 | etot = -14.6424332452949 -663000 ekin = 0.104391848885312 | erot = 0.545232746054744 | epot = -15.2920578402104 | etot = -14.6424332452703 -664000 ekin = 0.1123918633903 | erot = 0.531182949318153 | epot = -15.2860080579606 | etot = -14.6424332452521 -665000 ekin = 0.119797262721338 | erot = 0.52003712479683 | epot = -15.2822676327618 | etot = -14.6424332452437 -666000 ekin = 0.126411190063547 | erot = 0.512141060960723 | epot = -15.2809854962723 | etot = -14.642433245248 -667000 ekin = 0.132069035725132 | erot = 0.507607681729055 | epot = -15.2821099627211 | etot = -14.6424332452669 -668000 ekin = 0.136646914542203 | erot = 0.506281315754288 | epot = -15.2853614755971 | etot = -14.6424332453006 -669000 ekin = 0.140070616013021 | erot = 0.50772556617166 | epot = -15.2902294275324 | etot = -14.6424332453477 -670000 ekin = 0.142323740906679 | erot = 0.511239425098687 | epot = -15.2959964114102 | etot = -14.6424332454048 -671000 ekin = 0.143453306303064 | erot = 0.515903234044996 | epot = -15.3017897858152 | etot = -14.6424332454671 -672000 ekin = 0.143571012732418 | erot = 0.520652256718186 | epot = -15.3066565149793 | etot = -14.6424332455287 -673000 ekin = 0.142848733836954 | erot = 0.524371563357074 | epot = -15.3096535427774 | etot = -14.6424332455834 -674000 ekin = 0.141507613277718 | erot = 0.526002362930759 | epot = -15.3099432218339 | etot = -14.6424332456254 -675000 ekin = 0.13980130282559 | erot = 0.524647629024632 | epot = -15.3068821775003 | etot = -14.6424332456501 -676000 ekin = 0.137995095210639 | erot = 0.519664439041565 | epot = -15.3000927799068 | etot = -14.6424332456546 -677000 ekin = 0.136343677285182 | erot = 0.510732098518056 | epot = -15.2895090214411 | etot = -14.6424332456378 -678000 ekin = 0.1350706641226 | erot = 0.49788857525657 | epot = -15.2753924849801 | etot = -14.6424332456009 -679000 ekin = 0.134352810444862 | erot = 0.481532294132637 | epot = -15.2583183501238 | etot = -14.6424332455463 -680000 ekin = 0.13431086265575 | erot = 0.462390968605425 | epot = -15.2391350767393 | etot = -14.6424332454781 -681000 ekin = 0.135007638923122 | erot = 0.441462941784965 | epot = -15.218903826109 | etot = -14.6424332454009 -682000 ekin = 0.136452461524589 | erot = 0.419938865037975 | epot = -15.1988245718825 | etot = -14.6424332453199 -683000 ekin = 0.138609887397947 | erot = 0.399112293315654 | epot = -15.1801554259539 | etot = -14.6424332452403 -684000 ekin = 0.141410065648264 | erot = 0.380287181762594 | epot = -15.1641304925779 | etot = -14.6424332451671 -685000 ekin = 0.144758102722244 | erot = 0.364688846299647 | epot = -15.1518801941267 | etot = -14.6424332451049 -686000 ekin = 0.14854046711943 | erot = 0.353383275614745 | epot = -15.144356987792 | etot = -14.6424332450578 -687000 ekin = 0.152627512098722 | erot = 0.347208212231136 | epot = -15.1422689693591 | etot = -14.6424332450292 -688000 ekin = 0.156872371008243 | erot = 0.346718408271441 | epot = -15.1460240243019 | etot = -14.6424332450222 -689000 ekin = 0.161107527974782 | erot = 0.352146941115747 | epot = -15.1556877141288 | etot = -14.6424332450382 -690000 ekin = 0.16514108738065 | erot = 0.363384304942447 | epot = -15.1709586374008 | etot = -14.6424332450777 -691000 ekin = 0.168755042649082 | erot = 0.379976931156971 | epot = -15.1911652189453 | etot = -14.6424332451393 -692000 ekin = 0.171707649703694 | erot = 0.401146558398203 | epot = -15.2152874533219 | etot = -14.64243324522 -693000 ekin = 0.173741393443093 | erot = 0.425831232789035 | epot = -15.2420058715475 | etot = -14.6424332453154 -694000 ekin = 0.174597110624773 | erot = 0.452747528140487 | epot = -15.2697778841841 | etot = -14.6424332454189 -695000 ekin = 0.174033757472237 | erot = 0.480471830922762 | epot = -15.2969388339179 | etot = -14.6424332455229 -696000 ekin = 0.171852263364752 | erot = 0.50753639815869 | epot = -15.3218219071425 | etot = -14.6424332456191 -697000 ekin = 0.167921065290924 | erot = 0.532533688693483 | epot = -15.3428879996837 | etot = -14.6424332456993 -698000 ekin = 0.162200409477016 | erot = 0.554220619925494 | epot = -15.3588542751586 | etot = -14.6424332457561 -699000 ekin = 0.154762415715625 | erot = 0.571613361028384 | epot = -15.3688090225278 | etot = -14.6424332457837 -700000 ekin = 0.14580423000878 | erot = 0.584063387088342 | epot = -15.3723008628759 | etot = -14.6424332457788 -701000 ekin = 0.135652269558589 | erot = 0.591306922721675 | epot = -15.3693924380207 | etot = -14.6424332457404 -702000 ekin = 0.124756460207458 | erot = 0.593482464349287 | epot = -15.3606721702276 | etot = -14.6424332456708 -703000 ekin = 0.11367432595124 | erot = 0.591114401857202 | epot = -15.3472219733832 | etot = -14.6424332455747 -704000 ekin = 0.10304567594557 | erot = 0.585064323196779 | epot = -15.3305432446014 | etot = -14.6424332454591 -705000 ekin = 0.093559358196298 | erot = 0.576454826534863 | epot = -15.3124474300637 | etot = -14.6424332453326 -706000 ekin = 0.0859140824284676 | erot = 0.566573150256884 | epot = -15.2949204778901 | etot = -14.6424332452047 -707000 ekin = 0.0807756759557719 | erot = 0.556763427609663 | epot = -15.2799723486508 | etot = -14.6424332450854 -708000 ekin = 0.0787333622599937 | erot = 0.548316855291462 | epot = -15.269483462535 | etot = -14.6424332449836 -709000 ekin = 0.0802577669150991 | erot = 0.542368667954137 | epot = -15.2650596797766 | etot = -14.6424332449074 -710000 ekin = 0.0856633545528662 | erot = 0.539809747049451 | epot = -15.2679063464654 | etot = -14.642433244863 -711000 ekin = 0.0950778519027508 | erot = 0.541219180891539 | epot = -15.2787302776488 | etot = -14.6424332448545 -712000 ekin = 0.10842087662218 | erot = 0.546822307911647 | epot = -15.2976764294171 | etot = -14.6424332448833 -713000 ekin = 0.125393451694867 | erot = 0.556476834657881 | epot = -15.3243035313012 | etot = -14.6424332449484 -714000 ekin = 0.145479367621472 | erot = 0.569687600119496 | epot = -15.3576002127874 | etot = -14.6424332450464 -715000 ekin = 0.167958541116859 | erot = 0.585648522303218 | epot = -15.3960403085917 | etot = -14.6424332451716 -716000 ekin = 0.191931735851232 | erot = 0.60330829253147 | epot = -15.4376732736993 | etot = -14.6424332453166 -717000 ekin = 0.216355400176894 | erot = 0.621454592037079 | epot = -15.4802432376866 | etot = -14.6424332454726 -718000 ekin = 0.24008505651044 | erot = 0.638810139731556 | epot = -15.521328441872 | etot = -14.64243324563 -719000 ekin = 0.261925698575349 | erot = 0.654132895986116 | epot = -15.558491840341 | etot = -14.6424332457795 -720000 ekin = 0.280687969311591 | erot = 0.666312379867061 | epot = -15.5894335950905 | etot = -14.6424332459119 -721000 ekin = 0.295249345589153 | erot = 0.674454385927668 | epot = -15.6121369775356 | etot = -14.6424332460188 -722000 ekin = 0.304619886333733 | erot = 0.67794741025506 | epot = -15.6250005426818 | etot = -14.642433246093 -723000 ekin = 0.308011983727977 | erot = 0.676505724570366 | epot = -15.6269509544273 | etot = -14.642433246129 -724000 ekin = 0.304912667284364 | erot = 0.670186105899516 | epot = -15.6175320193064 | etot = -14.6424332461225 -725000 ekin = 0.295155116711556 | erot = 0.659377522489347 | epot = -15.5969658852725 | etot = -14.6424332460716 -726000 ekin = 0.278983134900095 | erot = 0.644765363158316 | epot = -15.5661817440347 | etot = -14.6424332459763 -727000 ekin = 0.257098790794367 | erot = 0.627273860362841 | epot = -15.5268058969971 | etot = -14.6424332458399 -728000 ekin = 0.230680158274935 | erot = 0.607992016180396 | epot = -15.481105420124 | etot = -14.6424332456687 -729000 ekin = 0.201354496276678 | erot = 0.588089464034347 | epot = -15.4318772057843 | etot = -14.6424332454733 -730000 ekin = 0.171114103979303 | erot = 0.568729214715612 | epot = -15.382276563963 | etot = -14.6424332452681 -731000 ekin = 0.142168923912273 | erot = 0.55098413507054 | epot = -15.3355863040536 | etot = -14.6424332450708 -732000 ekin = 0.11674200710062 | erot = 0.535763349043798 | epot = -15.294938601045 | etot = -14.6424332449006 -733000 ekin = 0.096829302757611 | erot = 0.523753647321743 | epot = -15.263016194855 | etot = -14.6424332447757 -734000 ekin = 0.0839596135620853 | erot = 0.515379592338737 | epot = -15.2417724506111 | etot = -14.6424332447103 -735000 ekin = 0.0789983701793321 | erot = 0.510784464196176 | epot = -15.2322160790871 | etot = -14.6424332447116 -736000 ekin = 0.0820355551944618 | erot = 0.509832642266591 | epot = -15.2343014422397 | etot = -14.6424332447787 -737000 ekin = 0.0923827123871921 | erot = 0.51213255085583 | epot = -15.2469485081446 | etot = -14.6424332449015 -738000 ekin = 0.108680448514306 | erot = 0.517077971028045 | epot = -15.2681916646065 | etot = -14.6424332450641 -739000 ekin = 0.12909371568349 | erot = 0.523904364927467 | epot = -15.2954313258571 | etot = -14.6424332452461 -740000 ekin = 0.151555277793912 | erot = 0.531755895780646 | epot = -15.3257444190018 | etot = -14.6424332454272 -741000 ekin = 0.174012721806563 | erot = 0.539758083454575 | epot = -15.3562040508503 | etot = -14.6424332455892 -742000 ekin = 0.194640916831384 | erot = 0.547090549700596 | epot = -15.3841647122502 | etot = -14.6424332457182 -743000 ekin = 0.211995737398717 | erot = 0.553054125338761 | epot = -15.4074831085432 | etot = -14.6424332458057 -744000 ekin = 0.22510050872294 | erot = 0.557126762310943 | epot = -15.4246605168818 | etot = -14.6424332458479 -745000 ekin = 0.233469424486957 | erot = 0.559003260240344 | epot = -15.4349059305732 | etot = -14.6424332458459 -746000 ekin = 0.2370799134654 | erot = 0.558614810501353 | epot = -15.438127969771 | etot = -14.6424332458043 -747000 ekin = 0.236308652985431 | erot = 0.556125790084381 | epot = -15.4348676888002 | etot = -14.6424332457304 -748000 ekin = 0.231845097888603 | erot = 0.551907079331795 | epot = -15.426185422854 | etot = -14.6424332456336 -749000 ekin = 0.224593843485089 | erot = 0.546487360031397 | epot = -15.4135144490409 | etot = -14.6424332455244 -750000 ekin = 0.215574369393293 | erot = 0.540486233486826 | epot = -15.3984938482942 | etot = -14.6424332454141 -751000 ekin = 0.205824583428116 | erot = 0.534535356766581 | epot = -15.382793185508 | etot = -14.6424332453133 -752000 ekin = 0.196313335743831 | erot = 0.529195815220672 | epot = -15.367942396196 | etot = -14.6424332452315 -753000 ekin = 0.187866475789607 | erot = 0.524881252734243 | epot = -15.3551809737002 | etot = -14.6424332451763 -754000 ekin = 0.181110613628491 | erot = 0.521796491100216 | epot = -15.3453403498808 | etot = -14.6424332451521 -755000 ekin = 0.176438042206941 | erot = 0.519900210809565 | epot = -15.3387714981766 | etot = -14.6424332451601 -756000 ekin = 0.173994962649976 | erot = 0.518897676287607 | epot = -15.3353258841355 | etot = -14.642433245198 -757000 ekin = 0.173693190273855 | erot = 0.518265706185164 | epot = -15.334392141719 | etot = -14.6424332452599 -758000 ekin = 0.175243155018327 | erot = 0.517307659824269 | epot = -15.3349840601804 | etot = -14.6424332453378 -759000 ekin = 0.178203703096713 | erot = 0.515231902167182 | epot = -15.3358688506856 | etot = -14.6424332454217 -760000 ekin = 0.182042463552564 | erot = 0.511243837951639 | epot = -15.3357195470058 | etot = -14.6424332455016 -761000 ekin = 0.186199747764933 | erot = 0.504639825550332 | epot = -15.3332728188834 | etot = -14.6424332455682 -762000 ekin = 0.190149235948613 | erot = 0.494891409036607 | epot = -15.3274738905993 | etot = -14.6424332456141 -763000 ekin = 0.193449921097585 | erot = 0.481710238289879 | epot = -15.3175934050219 | etot = -14.6424332456345 -764000 ekin = 0.195785552428752 | erot = 0.465087294354156 | epot = -15.3033060924098 | etot = -14.6424332456268 -765000 ekin = 0.196989678186294 | erot = 0.445303873494492 | epot = -15.2847267972726 | etot = -14.6424332455918 -766000 ekin = 0.197055919183484 | erot = 0.422915440294251 | epot = -15.26240460501 | etot = -14.6424332455322 -767000 ekin = 0.19613407649359 | erot = 0.398712320924831 | epot = -15.2372796428711 | etot = -14.6424332454526 -768000 ekin = 0.194513096651386 | erot = 0.373662938959647 | epot = -15.2106092809703 | etot = -14.6424332453593 -769000 ekin = 0.192592017625304 | erot = 0.348845887486037 | epot = -15.1838711503705 | etot = -14.6424332452592 -770000 ekin = 0.190840163683791 | erot = 0.325376840212305 | epot = -15.1586502490562 | etot = -14.6424332451601 -771000 ekin = 0.189748397224452 | erot = 0.304335529899573 | epot = -15.136517172194 | etot = -14.64243324507 -772000 ekin = 0.189774341847263 | erot = 0.286697153920281 | epot = -15.1189047407638 | etot = -14.6424332449962 -773000 ekin = 0.191286034496866 | erot = 0.273271857835351 | epot = -15.1069911372776 | etot = -14.6424332449453 -774000 ekin = 0.194510000604709 | erot = 0.264655458968876 | epot = -15.101598704496 | etot = -14.6424332449224 -775000 ekin = 0.199490639675106 | erot = 0.261194193154614 | epot = -15.1031180777597 | etot = -14.64243324493 -776000 ekin = 0.206067477061454 | erot = 0.262965803934464 | epot = -15.1114665259641 | etot = -14.6424332449682 -777000 ekin = 0.213875019081943 | erot = 0.269778568412073 | epot = -15.1260868325284 | etot = -14.6424332450344 -778000 ekin = 0.222366868961404 | erot = 0.281188790675987 | epot = -15.1459889047605 | etot = -14.6424332451231 -779000 ekin = 0.230862102265719 | erot = 0.296535944176208 | epot = -15.169831291669 | etot = -14.6424332452271 -780000 ekin = 0.238608567016806 | erot = 0.31499316909211 | epot = -15.1960349814464 | etot = -14.6424332453374 -781000 ekin = 0.244855557739756 | erot = 0.335629445236695 | epot = -15.2229182484214 | etot = -14.6424332454449 -782000 ekin = 0.248927612477286 | erot = 0.357478674286886 | epot = -15.2488395323048 | etot = -14.6424332455406 -783000 ekin = 0.250291897528993 | erot = 0.379610269028342 | epot = -15.2723354121742 | etot = -14.6424332456169 -784000 ekin = 0.248613283253222 | erot = 0.401195731122937 | epot = -15.2922422600437 | etot = -14.6424332456676 -785000 ekin = 0.243793133451402 | erot = 0.421566090466529 | epot = -15.3077924696065 | etot = -14.6424332456886 -786000 ekin = 0.23598950185365 | erot = 0.44025590520682 | epot = -15.3186786527387 | etot = -14.6424332456782 -787000 ekin = 0.225617610785865 | erot = 0.457030673432359 | epot = -15.3250815298553 | etot = -14.6424332456371 -788000 ekin = 0.213330260903178 | erot = 0.471895861695948 | epot = -15.3276593681676 | etot = -14.6424332455685 -789000 ekin = 0.199978499678579 | erot = 0.485087183883026 | epot = -15.3274989290395 | etot = -14.6424332454779 -790000 ekin = 0.186553834704508 | erot = 0.49704314124288 | epot = -15.32603022132 | etot = -14.6424332453726 -791000 ekin = 0.174114766793481 | erot = 0.508362048569847 | epot = -15.3249100606249 | etot = -14.6424332452616 -792000 ekin = 0.163702420432414 | erot = 0.519746739180895 | epot = -15.3258824047679 | etot = -14.6424332451546 -793000 ekin = 0.156252224966309 | erot = 0.53194082298947 | epot = -15.3306262930168 | etot = -14.642433245061 -794000 ekin = 0.152510350034315 | erot = 0.545660777315094 | epot = -15.3406043723391 | etot = -14.6424332449897 -795000 ekin = 0.152964251156891 | erot = 0.5615283269811 | epot = -15.3569258230857 | etot = -14.6424332449477 -796000 ekin = 0.157795747355246 | erot = 0.580007578778131 | epot = -15.3802365710729 | etot = -14.6424332449395 -797000 ekin = 0.166862457855134 | erot = 0.601351255569813 | epot = -15.4106469583918 | etot = -14.6424332449668 -798000 ekin = 0.179709603428539 | erot = 0.62556012184583 | epot = -15.4477029703029 | etot = -14.6424332450285 -799000 ekin = 0.195609966057053 | erot = 0.652359247176983 | epot = -15.490402458355 | etot = -14.642433245121 -800000 ekin = 0.213626158786136 | erot = 0.68119402187417 | epot = -15.5372534258983 | etot = -14.642433245238 -801000 ekin = 0.232687040188266 | erot = 0.711247726387183 | epot = -15.5863680119474 | etot = -14.642433245372 -802000 ekin = 0.251669429100998 | erot = 0.741480919836821 | epot = -15.6355835944519 | etot = -14.642433245514 -803000 ekin = 0.269477067853637 | erot = 0.770691008421927 | epot = -15.6826013219306 | etot = -14.642433245655 -804000 ekin = 0.285110541453573 | erot = 0.797588259159231 | epot = -15.7251320463985 | etot = -14.6424332457857 -805000 ekin = 0.297723982502801 | erot = 0.820882528800413 | epot = -15.7610397572012 | etot = -14.6424332458979 -806000 ekin = 0.306666387684663 | erot = 0.839373432914301 | epot = -15.7884730665838 | etot = -14.6424332459848 -807000 ekin = 0.311506975554225 | erot = 0.852035914446659 | epot = -15.8059761360419 | etot = -14.642433246041 -808000 ekin = 0.312045176252483 | erot = 0.858093398528957 | epot = -15.812571820845 | etot = -14.6424332460636 -809000 ekin = 0.308306642387543 | erot = 0.857071970759347 | epot = -15.8078118591986 | etot = -14.6424332460517 -810000 ekin = 0.300527220561017 | erot = 0.848831113929473 | epot = -15.7917915804974 | etot = -14.6424332460069 -811000 ekin = 0.289127204421129 | erot = 0.833569138622877 | epot = -15.7651295889766 | etot = -14.6424332459326 -812000 ekin = 0.274678427602343 | erot = 0.811804116493732 | epot = -15.72891578993 | etot = -14.6424332458339 -813000 ekin = 0.257866835583857 | erot = 0.784333459543394 | epot = -15.6846335408442 | etot = -14.642433245717 -814000 ekin = 0.23945308059417 | erot = 0.752176980197134 | epot = -15.6340633063801 | etot = -14.6424332455888 -815000 ekin = 0.220233415151649 | erot = 0.716509170267373 | epot = -15.5791758308753 | etot = -14.6424332454563 -816000 ekin = 0.201002751046645 | erot = 0.678586569748774 | epot = -15.5220225661215 | etot = -14.6424332453261 -817000 ekin = 0.182521261080257 | erot = 0.639675603865673 | epot = -15.4646301101501 | etot = -14.6424332452042 -818000 ekin = 0.16548540152787 | erot = 0.600985363832187 | epot = -15.4089040104558 | etot = -14.6424332450958 -819000 ekin = 0.15050378978045 | erot = 0.563608719250084 | epot = -15.3565457540356 | etot = -14.642433245005 -820000 ekin = 0.138078032178526 | erot = 0.528474068973221 | epot = -15.3089853460867 | etot = -14.6424332449349 -821000 ekin = 0.1285883867302 | erot = 0.496309093118672 | epot = -15.2673307247365 | etot = -14.6424332448876 -822000 ekin = 0.12228406613689 | erot = 0.467617125516686 | epot = -15.2323344365175 | etot = -14.6424332448639 -823000 ekin = 0.119278020924427 | erot = 0.442666228479689 | epot = -15.204377494268 | etot = -14.6424332448639 -824000 ekin = 0.119546158603772 | erot = 0.421490682739598 | epot = -15.1834700862299 | etot = -14.6424332448865 -825000 ekin = 0.122931110514646 | erot = 0.403904342224695 | epot = -15.1692686976689 | etot = -14.6424332449295 -826000 ekin = 0.129150803764422 | erot = 0.389525075000924 | epot = -15.1611091237554 | etot = -14.64243324499 -827000 ekin = 0.137812176399265 | erot = 0.377809252271385 | epot = -15.1580546737348 | etot = -14.6424332450642 -828000 ekin = 0.148430331608458 | erot = 0.368094906963596 | epot = -15.1589584837193 | etot = -14.6424332451472 -829000 ekin = 0.160453205761757 | erot = 0.3596517375127 | epot = -15.1625381885084 | etot = -14.6424332452339 -830000 ekin = 0.173291382896823 | erot = 0.351735589545891 | epot = -15.1674602177611 | etot = -14.6424332453184 -831000 ekin = 0.186352012963015 | erot = 0.343644456330365 | epot = -15.1724297146884 | etot = -14.642433245395 -832000 ekin = 0.199074924605492 | erot = 0.334772487921431 | epot = -15.1762806579853 | etot = -14.6424332454584 -833000 ekin = 0.210968084880519 | erot = 0.324658115189106 | epot = -15.1780594455734 | etot = -14.6424332455038 -834000 ekin = 0.22163875725694 | erot = 0.313022323442632 | epot = -15.1770943262278 | etot = -14.6424332455283 -835000 ekin = 0.230816330001906 | erot = 0.299793483326875 | epot = -15.1730430588591 | etot = -14.6424332455304 -836000 ekin = 0.238363132174156 | erot = 0.285116039960992 | epot = -15.165912417646 | etot = -14.6424332455109 -837000 ekin = 0.244270841530906 | erot = 0.269341751259717 | epot = -15.1560458382634 | etot = -14.6424332454728 -838000 ekin = 0.248642320235629 | erot = 0.253003904103877 | epot = -15.1440794697601 | etot = -14.6424332454206 -839000 ekin = 0.251661569327587 | erot = 0.236776758987145 | epot = -15.1308715736748 | etot = -14.6424332453601 -840000 ekin = 0.253557306828163 | erot = 0.221424057161458 | epot = -15.117414609287 | etot = -14.6424332452974 -841000 ekin = 0.254567562696712 | erot = 0.207741475743549 | epot = -15.1047422836783 | etot = -14.642433245238 -842000 ekin = 0.254912814683648 | erot = 0.19649826235426 | epot = -15.093844322224 | etot = -14.6424332451861 -843000 ekin = 0.254783130765732 | erot = 0.18838292178705 | epot = -15.0855992976972 | etot = -14.6424332451444 -844000 ekin = 0.254340789697802 | erot = 0.183956927272122 | epot = -15.0807309620839 | etot = -14.642433245114 -845000 ekin = 0.253734932891637 | erot = 0.183619247980649 | epot = -15.079787425967 | etot = -14.6424332450947 -846000 ekin = 0.25312050419609 | erot = 0.187583282239926 | epot = -15.0831370315219 | etot = -14.6424332450859 -847000 ekin = 0.252671650088207 | erot = 0.195866742639201 | epot = -15.0909716378148 | etot = -14.6424332450873 -848000 ekin = 0.252580915310227 | erot = 0.208294222463247 | epot = -15.1033083828726 | etot = -14.6424332450991 -849000 ekin = 0.253039966848203 | erot = 0.224511555531949 | epot = -15.1199847675021 | etot = -14.642433245122 -850000 ekin = 0.254204001798466 | erot = 0.244010590097926 | epot = -15.1406478370531 | etot = -14.6424332451567 -851000 ekin = 0.25614833902674 | erot = 0.266162563602757 | epot = -15.1647441478328 | etot = -14.6424332452033 -852000 ekin = 0.258829686440543 | erot = 0.290257858698332 | epot = -15.1915207903994 | etot = -14.6424332452605 -853000 ekin = 0.262064657828545 | erot = 0.315549558167831 | epot = -15.2200474613219 | etot = -14.6424332453255 -854000 ekin = 0.265534116122616 | erot = 0.341297947736459 | epot = -15.2492653092525 | etot = -14.6424332453934 -855000 ekin = 0.26881517465356 | erot = 0.366813004430954 | epot = -15.2780614245429 | etot = -14.6424332454584 -856000 ekin = 0.2714354869546 | erot = 0.391492007901482 | epot = -15.3053607403704 | etot = -14.6424332455143 -857000 ekin = 0.272939108063026 | erot = 0.414849750473433 | epot = -15.3302221040922 | etot = -14.6424332455557 -858000 ekin = 0.272951155039827 | erot = 0.436539390688028 | epot = -15.3519237913065 | etot = -14.6424332455787 -859000 ekin = 0.27122988067654 | erot = 0.456362750059338 | epot = -15.370025876317 | etot = -14.6424332455811 -860000 ekin = 0.267698633834005 | erot = 0.474269718460678 | epot = -15.3844015978584 | etot = -14.6424332455637 -861000 ekin = 0.262455001753023 | erot = 0.490347316007822 | epot = -15.3952355632891 | etot = -14.6424332455283 -862000 ekin = 0.255758797176847 | erot = 0.504799761298972 | epot = -15.4029918039546 | etot = -14.6424332454788 -863000 ekin = 0.248003564341593 | erot = 0.517921532812577 | epot = -15.408358342574 | etot = -14.6424332454198 -864000 ekin = 0.239677655585047 | erot = 0.530065823503499 | epot = -15.412176724445 | etot = -14.6424332453565 -865000 ekin = 0.23132088944558 | erot = 0.541610953534477 | epot = -15.4153650882737 | etot = -14.6424332452936 -866000 ekin = 0.223481813676492 | erot = 0.552927233332167 | epot = -15.4188422922443 | etot = -14.6424332452356 -867000 ekin = 0.21667917449216 | erot = 0.564346499432584 | epot = -15.4234589191109 | etot = -14.6424332451862 -868000 ekin = 0.211369750018423 | erot = 0.576136138939141 | epot = -15.4299391341058 | etot = -14.6424332451482 -869000 ekin = 0.207923502308487 | erot = 0.588478941151825 | epot = -15.4388356885839 | etot = -14.6424332451236 -870000 ekin = 0.206606153000579 | erot = 0.601459626890824 | epot = -15.4504990250046 | etot = -14.6424332451132 -871000 ekin = 0.207568796758706 | erot = 0.615058451106102 | epot = -15.4650604929822 | etot = -14.6424332451174 -872000 ekin = 0.210843969902103 | erot = 0.629151875760072 | epot = -15.4824290907977 | etot = -14.6424332451355 -873000 ekin = 0.216347593119445 | erot = 0.643519970834179 | epot = -15.5023008091198 | etot = -14.6424332451662 -874000 ekin = 0.223886305143434 | erot = 0.657859909731246 | epot = -15.5241794600821 | etot = -14.6424332452075 -875000 ekin = 0.233169807553067 | erot = 0.671804662211551 | epot = -15.5474077150215 | etot = -14.6424332452569 -876000 ekin = 0.243827877963456 | erot = 0.684945735800616 | epot = -15.5712068590756 | etot = -14.6424332453115 -877000 ekin = 0.255431632545719 | erot = 0.696858567355222 | epot = -15.5947234452689 | etot = -14.642433245368 -878000 ekin = 0.267518408512945 | erot = 0.707128927389438 | epot = -15.6170805813253 | etot = -14.6424332454229 -879000 ekin = 0.279619300258663 | erot = 0.715378495721848 | epot = -15.6374310414535 | etot = -14.642433245473 -880000 ekin = 0.291287955020082 | erot = 0.721287639199831 | epot = -15.655008839735 | etot = -14.6424332455151 -881000 ekin = 0.302128778464172 | erot = 0.724613422811349 | epot = -15.6691754468222 | etot = -14.6424332455467 -882000 ekin = 0.311822304068348 | erot = 0.72520106817747 | epot = -15.6794566178122 | etot = -14.6424332455663 -883000 ekin = 0.32014524378723 | erot = 0.722987481104759 | epot = -15.6855659704652 | etot = -14.6424332455732 -884000 ekin = 0.326982762198449 | erot = 0.717996120159773 | epot = -15.6874121279262 | etot = -14.642433245568 -885000 ekin = 0.332330882212052 | erot = 0.710323349672674 | epot = -15.6850874774371 | etot = -14.6424332455524 -886000 ekin = 0.336287673330606 | erot = 0.700117442976865 | epot = -15.6788383618368 | etot = -14.6424332455294 -887000 ekin = 0.339032964151287 | erot = 0.687552454437637 | epot = -15.6690186640915 | etot = -14.6424332455026 -888000 ekin = 0.340797654544087 | erot = 0.672800100946149 | epot = -15.6560310009666 | etot = -14.6424332454764 -889000 ekin = 0.341825106158792 | erot = 0.656003407102967 | epot = -15.6402617587166 | etot = -14.6424332454548 -890000 ekin = 0.34232834757507 | erot = 0.637256013166648 | epot = -15.6220176061832 | etot = -14.6424332454415 -891000 ekin = 0.342447730492025 | erot = 0.616590618571196 | epot = -15.6014715945022 | etot = -14.642433245439 -892000 ekin = 0.342214057411764 | erot = 0.593979026507483 | epot = -15.5786263293677 | etot = -14.6424332454484 -893000 ekin = 0.341522004910226 | erot = 0.569344767734754 | epot = -15.5533000181142 | etot = -14.6424332454692 -894000 ekin = 0.340117934117732 | erot = 0.542587519917767 | epot = -15.5251386995347 | etot = -14.6424332454992 -895000 ekin = 0.337605044782691 | erot = 0.513616778982377 | epot = -15.4936550692997 | etot = -14.6424332455346 -896000 ekin = 0.333467462872541 | erot = 0.482390775176039 | epot = -15.4582914836189 | etot = -14.6424332455703 -897000 ekin = 0.327113397522298 | erot = 0.448955709004864 | epot = -15.4185023521275 | etot = -14.6424332456003 -898000 ekin = 0.317936017621705 | erot = 0.413480165460747 | epot = -15.3738494287008 | etot = -14.6424332456183 -899000 ekin = 0.305389123797813 | erot = 0.376280077470634 | epot = -15.3241024468866 | etot = -14.6424332456181 -900000 ekin = 0.289072881398238 | erot = 0.337830752319679 | epot = -15.2693368793119 | etot = -14.642433245594 -901000 ekin = 0.268822686263766 | erot = 0.298764046956941 | epot = -15.2100199787623 | etot = -14.6424332455416 -902000 ekin = 0.244791653973854 | erot = 0.259850521116686 | epot = -15.147075420549 | etot = -14.6424332454585 -903000 ekin = 0.217514571467877 | erot = 0.2219680472084 | epot = -15.0819158640211 | etot = -14.6424332453448 -904000 ekin = 0.187939204416865 | erot = 0.18605969200996 | epot = -15.016432141631 | etot = -14.6424332452042 -905000 ekin = 0.157410847736454 | erot = 0.153084564880819 | epot = -14.9529286576615 | etot = -14.6424332450442 -906000 ekin = 0.127599356275869 | erot = 0.123965703542124 | epot = -14.8939983046943 | etot = -14.6424332448764 -907000 ekin = 0.100365589134273 | erot = 0.0995389863865968 | epot = -14.8423378202365 | etot = -14.6424332447156 -908000 ekin = 0.0775759855969076 | erot = 0.0805066337373332 | epot = -14.8005158639122 | etot = -14.6424332445779 -909000 ekin = 0.060887695004245 | erot = 0.0673982354544352 | epot = -14.7707191749376 | etot = -14.6424332444789 -910000 ekin = 0.051538292298201 | erot = 0.0605415547689986 | epot = -14.7545130914979 | etot = -14.6424332444307 -911000 ekin = 0.0501789452889314 | erot = 0.0600446989611976 | epot = -14.7526568886895 | etot = -14.6424332444394 -912000 ekin = 0.0567846925720761 | erot = 0.0657906450222932 | epot = -14.7650085820985 | etot = -14.6424332445042 -913000 ekin = 0.0706603747930264 | erot = 0.0774445361866898 | epot = -14.7905381555969 | etot = -14.6424332446172 -914000 ekin = 0.0905398584091763 | erot = 0.0944735694303653 | epot = -14.8274466726047 | etot = -14.6424332447652 -915000 ekin = 0.114756144628428 | erot = 0.116178630207615 | epot = -14.8733680197682 | etot = -14.6424332449321 -916000 ekin = 0.141447043402292 | erot = 0.141736093139118 | epot = -14.9256163816431 | etot = -14.6424332451017 -917000 ekin = 0.168758535419861 | erot = 0.170247440488538 | epot = -14.9814392211683 | etot = -14.6424332452599 -918000 ekin = 0.195014913439662 | erot = 0.200793639368136 | epot = -15.0382417982035 | etot = -14.6424332453957 -919000 ekin = 0.218837422083706 | erot = 0.232490666335444 | epot = -15.0937613339213 | etot = -14.6424332455022 -920000 ekin = 0.239206641023781 | erot = 0.264542267091206 | epot = -15.1461821536913 | etot = -14.6424332455763 -921000 ekin = 0.255474577148722 | erot = 0.29628605080145 | epot = -15.1941938735681 | etot = -14.6424332456179 -922000 ekin = 0.26733863121584 | erot = 0.327229363204498 | epot = -15.2370012400495 | etot = -14.6424332456292 -923000 ekin = 0.274791412214288 | erot = 0.357072039936907 | epot = -15.2742966977651 | etot = -14.6424332456139 -924000 ekin = 0.278059017516471 | erot = 0.385714059432095 | epot = -15.3062063225254 | etot = -14.6424332455768 -925000 ekin = 0.277537405168489 | erot = 0.413247220094928 | epot = -15.3332178707869 | etot = -14.6424332455235 -926000 ekin = 0.273733135238468 | erot = 0.439931173660914 | epot = -15.3560975543588 | etot = -14.6424332454594 -927000 ekin = 0.26721185964169 | erot = 0.466155363881716 | epot = -15.3758004689138 | etot = -14.6424332453904 -928000 ekin = 0.258555847536273 | erot = 0.492389553502083 | epot = -15.3933786463605 | etot = -14.6424332453221 -929000 ekin = 0.248330567892114 | erot = 0.519126582981251 | epot = -15.4098903961332 | etot = -14.6424332452599 -930000 ekin = 0.237059747166417 | erot = 0.546821711631313 | epot = -15.4263147040061 | etot = -14.6424332452084 -931000 ekin = 0.225208144806099 | erot = 0.575833282923054 | epot = -15.4434746729006 | etot = -14.6424332451714 -932000 ekin = 0.213171319366128 | erot = 0.606369490851291 | epot = -15.4619740553693 | etot = -14.6424332451519 -933000 ekin = 0.201271722996209 | erot = 0.638445690378466 | epot = -15.482150658526 | etot = -14.6424332451513 -934000 ekin = 0.189760460110485 | erot = 0.671856006698808 | epot = -15.5040497119792 | etot = -14.6424332451699 -935000 ekin = 0.178823941838717 | erot = 0.706161996587126 | epot = -15.5274191836321 | etot = -14.6424332452063 -936000 ekin = 0.168594479115294 | erot = 0.740699865837039 | epot = -15.5517275902103 | etot = -14.6424332452579 -937000 ekin = 0.159163635635195 | erot = 0.774606336205919 | epot = -15.5762032171622 | etot = -14.6424332453211 -938000 ekin = 0.150596971915171 | erot = 0.806861786796075 | epot = -15.5998920041023 | etot = -14.6424332453911 -939000 ekin = 0.142948711632666 | erot = 0.836347883526529 | epot = -15.6217298406219 | etot = -14.6424332454627 -940000 ekin = 0.136274889171384 | erot = 0.861915676028721 | epot = -15.6406238107305 | etot = -14.6424332455304 -941000 ekin = 0.130643703199134 | erot = 0.882459199120404 | epot = -15.6555361479088 | etot = -14.6424332455893 -942000 ekin = 0.126142088160929 | erot = 0.896989065172066 | epot = -15.6655643989677 | etot = -14.6424332456347 -943000 ekin = 0.122877886110378 | erot = 0.904700444358843 | epot = -15.6700115761325 | etot = -14.6424332456633 -944000 ekin = 0.12097740741224 | erot = 0.905030230236918 | epot = -15.6684408833219 | etot = -14.6424332456728 -945000 ekin = 0.120578563690818 | erot = 0.897699054745715 | epot = -15.660710864099 | etot = -14.6424332456625 -946000 ekin = 0.121820103593603 | erot = 0.882735070928584 | epot = -15.6469884201552 | etot = -14.642433245633 -947000 ekin = 0.124827761129181 | erot = 0.860477935596529 | epot = -15.6277389423121 | etot = -14.6424332455864 -948000 ekin = 0.129698334168747 | erot = 0.831563037038142 | epot = -15.6036946167331 | etot = -14.6424332455262 -949000 ekin = 0.136482857558223 | erot = 0.796887554722467 | epot = -15.5758036577371 | etot = -14.6424332454564 -950000 ekin = 0.145170138931244 | erot = 0.757561255988665 | epot = -15.545164640302 | etot = -14.6424332453821 -951000 ekin = 0.155672002995198 | erot = 0.714845916094193 | epot = -15.5129511643977 | etot = -14.6424332453083 -952000 ekin = 0.167811650836288 | erot = 0.670087833250747 | epot = -15.4803327293271 | etot = -14.64243324524 -953000 ekin = 0.181316579471282 | erot = 0.62464809521251 | epot = -15.4483979198655 | etot = -14.6424332451817 -954000 ekin = 0.195817500701168 | erot = 0.579835080696309 | epot = -15.4180858265343 | etot = -14.6424332451368 -955000 ekin = 0.210854606876659 | erot = 0.536843219769282 | epot = -15.3901310717537 | etot = -14.6424332451077 -956000 ekin = 0.225892299837258 | erot = 0.49670137679197 | epot = -15.3650269217247 | etot = -14.6424332450955 -957000 ekin = 0.240343066498473 | erot = 0.460233438094331 | epot = -15.3430097496925 | etot = -14.6424332450997 -958000 ekin = 0.253600493839208 | erot = 0.428032849894538 | epot = -15.324066588852 | etot = -14.6424332451182 -959000 ekin = 0.26508043374811 | erot = 0.400452005459373 | epot = -15.3079656843552 | etot = -14.6424332451478 -960000 ekin = 0.274268068130398 | erot = 0.377606549450015 | epot = -15.2943078627643 | etot = -14.6424332451839 -961000 ekin = 0.280767178003419 | erot = 0.359393861249926 | epot = -15.2825942844748 | etot = -14.6424332452215 -962000 ekin = 0.284346484063279 | erot = 0.345524198816832 | epot = -15.2723039281355 | etot = -14.6424332452554 -963000 ekin = 0.284976816089691 | erot = 0.3355622323293 | epot = -15.2629722936999 | etot = -14.6424332452809 -964000 ekin = 0.282852494247854 | erot = 0.328975986496892 | epot = -15.2542617260392 | etot = -14.6424332452945 -965000 ekin = 0.278391086615428 | erot = 0.325189577598743 | epot = -15.2460139095086 | etot = -14.6424332452944 -966000 ekin = 0.272207924679439 | erot = 0.323635640150665 | epot = -15.2382768101109 | etot = -14.6424332452808 -967000 ekin = 0.265065367870575 | erot = 0.323803079987219 | epot = -15.2313016931133 | etot = -14.6424332452555 -968000 ekin = 0.257801293713888 | erot = 0.325275872290492 | epot = -15.2255104112269 | etot = -14.6424332452225 -969000 ekin = 0.251245661474162 | erot = 0.327759142575902 | epot = -15.2214380492365 | etot = -14.6424332451864 -970000 ekin = 0.24613700899304 | erot = 0.331089781180773 | epot = -15.2196600353261 | etot = -14.6424332451523 -971000 ekin = 0.243051319616021 | erot = 0.335230325664833 | epot = -15.2207148904054 | etot = -14.6424332451246 -972000 ekin = 0.242353409638695 | erot = 0.340246678804358 | epot = -15.22503333355 | etot = -14.6424332451069 -973000 ekin = 0.244176338162489 | erot = 0.346272190710356 | epot = -15.2328817739745 | etot = -14.6424332451017 -974000 ekin = 0.248428661658042 | erot = 0.353462430361478 | epot = -15.2443243371296 | etot = -14.6424332451101 -975000 ekin = 0.254824314803068 | erot = 0.361946299430202 | epot = -15.2592038593654 | etot = -14.6424332451321 -976000 ekin = 0.262926848820545 | erot = 0.371779749929518 | epot = -15.2771398439171 | etot = -14.642433245167 -977000 ekin = 0.27219923533091 | erot = 0.382908123263806 | epot = -15.297540603808 | etot = -14.6424332452133 -978000 ekin = 0.282052066851764 | erot = 0.395142048097211 | epot = -15.3196273602177 | etot = -14.6424332452688 -979000 ekin = 0.291885751914043 | erot = 0.408150081471225 | epot = -15.3424690787159 | etot = -14.6424332453306 -980000 ekin = 0.301125083790016 | erot = 0.421469125222495 | epot = -15.365027454408 | etot = -14.6424332453955 -981000 ekin = 0.309246535917451 | erot = 0.434531423656212 | epot = -15.3862112050333 | etot = -14.6424332454596 -982000 ekin = 0.315799497490911 | erot = 0.446704965616411 | epot = -15.404937708626 | etot = -14.6424332455187 -983000 ekin = 0.32042257322114 | erot = 0.457342632743475 | epot = -15.4201984515335 | etot = -14.6424332455688 -984000 ekin = 0.322855465258551 | erot = 0.465834622598882 | epot = -15.4311233334638 | etot = -14.6424332456063 -985000 ekin = 0.322946302475207 | erot = 0.47165859097348 | epot = -15.4370381390771 | etot = -14.6424332456284 -986000 ekin = 0.320653917805744 | erot = 0.474422556589946 | epot = -15.4375097200291 | etot = -14.6424332456334 -987000 ekin = 0.316044627362153 | erot = 0.473896755515053 | epot = -15.4323746284979 | etot = -14.6424332456207 -988000 ekin = 0.309283477268727 | erot = 0.470032116944613 | epot = -15.4217488398044 | etot = -14.6424332455911 -989000 ekin = 0.300620522169168 | erot = 0.462964620621354 | epot = -15.4060183883369 | etot = -14.6424332455464 -990000 ekin = 0.290373280691188 | erot = 0.453006262994313 | epot = -15.3858127891748 | etot = -14.6424332454893 -991000 ekin = 0.278906915705663 | erot = 0.440624526218637 | epot = -15.3619646873472 | etot = -14.6424332454229 -992000 ekin = 0.266613826415146 | erot = 0.426413006890641 | epot = -15.3354600786566 | etot = -14.6424332453509 -993000 ekin = 0.253894212446534 | erot = 0.411056197524004 | epot = -15.3073836552473 | etot = -14.6424332452767 -994000 ekin = 0.24113883700009 | erot = 0.395291372387941 | epot = -15.2788634545917 | etot = -14.6424332452037 -995000 ekin = 0.22871476890696 | erot = 0.379870207854789 | epot = -15.2510182218965 | etot = -14.6424332451348 -996000 ekin = 0.216954417470376 | erot = 0.365522282707067 | epot = -15.2249099452499 | etot = -14.6424332450725 -997000 ekin = 0.206147766455999 | erot = 0.352922066138332 | epot = -15.2015030776131 | etot = -14.6424332450188 -998000 ekin = 0.196537413157836 | erot = 0.342660495991062 | epot = -15.1816311541242 | etot = -14.6424332449753 -999000 ekin = 0.18831584391307 | erot = 0.335221830005501 | epot = -15.1659709188615 | etot = -14.642433244943 -1000000 ekin = 0.181624323067755 | erot = 0.330966139649165 | epot = -15.1550237076395 | etot = -14.6424332449226 - 1000000 0.013453654 -1.5270261 0.011523695 -1.4973399 -8.4815516e-05 -Loop time of 16.5005 on 4 procs for 1000000 steps with 10 atoms - -Performance: 52362.058 tau/day, 60604.234 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 | 0.51373 | 5.7702 | 10.408 | 174.5 | 34.97 -Bond | 0.084405 | 0.27056 | 0.44162 | 28.3 | 1.64 -Neigh | 0 | 0 | 0 | 0.0 | 0.00 -Comm | 1.7403 | 2.0946 | 2.4247 | 18.8 | 12.69 -Output | 4e-05 | 6e-05 | 7.1e-05 | 0.0 | 0.00 -Modify | 0.17451 | 0.87938 | 1.53 | 58.2 | 5.33 -Other | | 7.486 | | | 45.37 - -Nlocal: 2.5 ave 5.0 max 0.0 min -Histogram: 1 0 1 0 0 0 0 0 1 1 -Nghost: 7.5 ave 10.0 max 5.0 min -Histogram: 1 0 1 0 0 0 0 0 1 1 -Neighs: 16.0 ave 30.0 max 0.0 min -Histogram: 1 0 1 0 0 0 0 0 1 1 - -Total # of neighbors = 64 -Ave neighs/atom = 6.4 -Ave special neighs/atom = 3.6 -Neighbor list builds = 0 -Dangerous builds = 0 - -#write_restart config.${number}.* -Total wall time: 0:00:16 diff --git a/examples/PACKAGES/cgdna/examples/oxDNA/duplex2/data.duplex2 b/examples/PACKAGES/cgdna/examples/oxDNA/duplex2/data.duplex2 index 72872d431a..8c985708ca 100644 --- a/examples/PACKAGES/cgdna/examples/oxDNA/duplex2/data.duplex2 +++ b/examples/PACKAGES/cgdna/examples/oxDNA/duplex2/data.duplex2 @@ -1,15 +1,14 @@ -# LAMMPS data file +LAMMPS data file via write_data, version 27 May 2021 + 16 atoms -16 ellipsoids -13 bonds - 4 atom types +13 bonds 1 bond types +16 ellipsoids -# System size --20.000000 20.000000 xlo xhi --20.000000 20.000000 ylo yhi --20.000000 20.000000 zlo zhi +-20 20 xlo xhi +-20 20 ylo yhi +-20 20 zlo zhi Masses @@ -18,79 +17,75 @@ Masses 3 3.1575 4 3.1575 -# Atom-ID, type, position, molecule-ID, ellipsoid flag, density -Atoms +Atoms # hybrid -1 1 -6.000000000000001e-01 0.000000000000000e+00 0.000000000000000e+00 1 1 1 -2 2 -4.860249842674776e-01 -3.518234140414736e-01 3.897628551303122e-01 1 1 1 -3 3 -1.874009511073395e-01 -5.699832309147915e-01 7.795257102606244e-01 1 1 1 -4 4 1.824198365552941e-01 -5.715968887521518e-01 1.169288565390937e+00 1 1 1 -5 1 4.829362784135484e-01 -3.560513319622209e-01 1.559051420521249e+00 1 1 1 -6 2 5.999771538385027e-01 -5.235921299024461e-03 1.948814275651561e+00 1 1 1 -7 3 4.890766774371325e-01 3.475687034056071e-01 2.338577130781873e+00 1 1 1 -8 4 1.923677943514057e-01 5.683261666476170e-01 2.728339985912185e+00 1 1 1 -9 1 -1.923677943514057e-01 -5.683261666476170e-01 2.728339985912185e+00 2 1 1 -10 2 -4.890766774371324e-01 -3.475687034056071e-01 2.338577130781873e+00 2 1 1 -11 3 -5.999771538385025e-01 5.235921299024461e-03 1.948814275651561e+00 2 1 1 -12 4 -4.829362784135481e-01 3.560513319622207e-01 1.559051420521249e+00 2 1 1 -13 1 -1.824198365552940e-01 5.715968887521514e-01 1.169288565390936e+00 2 1 1 -14 2 1.874009511073395e-01 5.699832309147912e-01 7.795257102606241e-01 2 1 1 -15 3 4.860249842674773e-01 3.518234140414733e-01 3.897628551303119e-01 2 1 1 -16 4 5.999999999999995e-01 -3.330669073875470e-17 -3.330669073875470e-16 2 1 1 +1 1 -0.6133472972454725 -0.657478171669766 0.36065226351201896 1 1 3.7269849963023267 0 0 0 +2 2 -0.45262764247356363 -1.0030650534345913 0.7258693379233347 1 1 3.7269849963023267 0 0 0 +3 3 -0.0988342108522641 -1.239775807128057 1.069462285786363 1 1 3.7269849963023267 0 0 0 +4 4 0.2937771854299732 -1.2579750924899842 1.4258916086606965 1 1 3.7269849963023267 0 0 0 +5 1 0.6286896795685137 -1.0183343395119744 1.7689346339672825 1 1 3.7269849963023267 0 0 0 +6 2 0.7901522619067926 -0.6766341805565266 2.1540160705495754 1 1 3.7269849963023267 0 0 0 +7 3 0.7115777184886863 -0.40195579325143455 2.569568683291525 1 1 3.7269849963023267 0 0 0 +8 4 0.46973310377005234 -0.30251697967107033 3.0668007117519216 1 1 3.7269849963023267 0 0 0 +9 1 0.4056113349449848 -1.443775499211898 3.0590726503341124 2 1 3.7269849963023267 0 0 0 +10 2 -0.032028429059287516 -1.2947520971164723 2.7201071151392187 2 1 3.7269849963023267 0 0 0 +11 3 -0.31613855112314065 -0.908414175906161 2.4125207871782006 2 1 3.7269849963023267 0 0 0 +12 4 -0.38939391251821 -0.4866605488242819 2.006177777000426 2 1 3.7269849963023267 0 0 0 +13 1 -0.06232643040853296 -0.07155965522127403 1.5593206052730733 3 1 3.7269849963023267 0 0 0 +14 2 0.17884090390913376 -0.05516721349427172 1.021273149730912 3 1 3.7269849963023267 0 0 0 +15 3 0.4513439961906 -0.23795607383274572 0.5957328539615993 3 1 3.7269849963023267 0 0 0 +16 4 0.5077649359807965 -0.5565625134533538 0.1655875784458841 3 1 3.7269849963023267 0 0 0 -# Atom-ID, translational velocity, angular momentum Velocities -1 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 -2 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 -3 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 -4 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 -5 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 -6 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 -7 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 -8 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 -9 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 -10 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 -11 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 -12 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 -13 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 -14 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 -15 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 -16 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 +1 0.05386890022865587 0.02262922525602673 0.24882291144736746 0.1772010258006941 -0.29588531700001014 -0.2624137503614725 +2 -0.03995003075629463 0.26969511063701984 -0.18986454548195664 -0.030614539375968176 -0.11769518931480599 0.040074702426473215 +3 -0.20784535295201376 -0.13628722357673043 -0.06062477950201746 -0.03676034584820381 -0.06308707793373186 -0.14798601576087625 +4 -0.23969824181316998 -0.5624721730878831 0.032474422905036715 -0.16523645965016515 0.2860623077030974 0.33543519753105877 +5 -0.16114897356828353 -0.22889697470760145 -0.13553324962649563 0.07151030852881342 -0.09415592891043179 0.13422881539312292 +6 -0.04701706588477693 0.19216715585110036 0.14588242791297215 0.09218622989776322 -0.5640128930702024 0.09287105657777776 +7 0.05098438305112513 -0.038459555522009595 -0.14244196285749675 0.3479046835475834 0.4244922695910593 -0.13582882604358357 +8 0.37827971348411926 -0.04953992506010833 0.1626392045834847 0.0442887659636129 0.07868414126013584 -0.12713600444325032 +9 0.04912038408665491 0.041260647318716696 0.012223856334495234 0.03282916621721876 -0.00012670547095256 0.155978785417696 +10 0.1939216183073483 0.11075235485381942 -0.0405050516019971 -0.17008135001813812 -0.4563093565840761 -0.30318513627039506 +11 -0.351360733920646 -0.18822419067535692 0.36147938199051305 -0.3708221604627426 -0.49108381825941216 0.09435948331955418 +12 -0.1188642917357977 0.22355282456551884 0.009265586122144348 -0.28230100188858365 0.10276485660828892 0.10175233476780697 +13 -0.1446616296238799 -0.11552059909787235 0.1331477187595642 -0.25498721890374343 0.2754663721641154 0.05806416868630132 +14 0.051547120035862544 -0.36611026510775635 -0.06630782880801242 -0.11999847173316518 0.0684476892288605 0.2161595932308759 +15 -0.20214244962091388 0.23341226933559608 0.008133374252278069 -0.17013911124135248 0.01870292260510287 -0.2682954134361106 +16 -0.19202131162868008 -0.08105295741355378 -0.0469350810885074 0.017332107652647588 -0.32876588862807693 0.1085334141225924 -# Atom-ID, shape, quaternion -Ellipsoids - -1 1.173984503142341e+00 1.173984503142341e+00 1.173984503142341e+00 1.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 -2 1.173984503142341e+00 1.173984503142341e+00 1.173984503142341e+00 9.513258223252946e-01 0.000000000000000e+00 0.000000000000000e+00 3.081869234362515e-01 -3 1.173984503142341e+00 1.173984503142341e+00 1.173984503142341e+00 8.100416404457962e-01 0.000000000000000e+00 0.000000000000000e+00 5.863723567357894e-01 -4 1.173984503142341e+00 1.173984503142341e+00 1.173984503142341e+00 5.899012371043606e-01 0.000000000000000e+00 0.000000000000000e+00 8.074754054847398e-01 -5 1.173984503142341e+00 1.173984503142341e+00 1.173984503142341e+00 3.123349185122326e-01 0.000000000000000e+00 0.000000000000000e+00 9.499720515246527e-01 -6 1.173984503142341e+00 1.173984503142341e+00 1.173984503142341e+00 4.363309284746654e-03 0.000000000000000e+00 0.000000000000000e+00 9.999904807207346e-01 -7 1.173984503142341e+00 1.173984503142341e+00 1.173984503142341e+00 -3.040330609254902e-01 0.000000000000000e+00 0.000000000000000e+00 9.526614812535865e-01 -8 1.173984503142341e+00 1.173984503142341e+00 1.173984503142341e+00 5.828323126827837e-01 0.000000000000000e+00 0.000000000000000e+00 -8.125924533816677e-01 -9 1.173984503142341e+00 1.173984503142341e+00 1.173984503142341e+00 0.000000000000000e+00 8.125924533816681e-01 5.828323126827832e-01 -0.000000000000000e+00 -10 1.173984503142341e+00 1.173984503142341e+00 1.173984503142341e+00 0.000000000000000e+00 9.526614812535864e-01 3.040330609254902e-01 0.000000000000000e+00 -11 1.173984503142341e+00 1.173984503142341e+00 1.173984503142341e+00 0.000000000000000e+00 9.999904807207346e-01 -4.363309284746654e-03 0.000000000000000e+00 -12 1.173984503142341e+00 1.173984503142341e+00 1.173984503142341e+00 0.000000000000000e+00 9.499720515246526e-01 -3.123349185122325e-01 0.000000000000000e+00 -13 1.173984503142341e+00 1.173984503142341e+00 1.173984503142341e+00 0.000000000000000e+00 8.074754054847402e-01 -5.899012371043603e-01 0.000000000000000e+00 -14 1.173984503142341e+00 1.173984503142341e+00 1.173984503142341e+00 0.000000000000000e+00 5.863723567357898e-01 -8.100416404457959e-01 0.000000000000000e+00 -15 1.173984503142341e+00 1.173984503142341e+00 1.173984503142341e+00 -0.000000000000000e+00 -3.081869234362514e-01 9.513258223252948e-01 0.000000000000000e+00 -16 1.173984503142341e+00 1.173984503142341e+00 1.173984503142341e+00 -0.000000000000000e+00 2.775557561562893e-17 1.000000000000000e+00 -0.000000000000000e+00 - -# Bond topology Bonds -1 1 1 2 -2 1 2 3 -3 1 3 4 -4 1 4 5 -5 1 5 6 -6 1 6 7 -7 1 7 8 -8 1 9 10 -9 1 10 11 -10 1 11 12 -11 1 13 14 -12 1 14 15 -13 1 15 16 +1 1 1 2 +2 1 2 3 +3 1 3 4 +4 1 4 5 +5 1 5 6 +6 1 6 7 +7 1 7 8 +8 1 9 10 +9 1 10 11 +10 1 11 12 +11 1 13 14 +12 1 14 15 +13 1 15 16 + +Ellipsoids + +1 1.173984503142341 1.173984503142341 1.173984503142341 0.9964752158482045 -0.053253555733239796 0.011391163807102514 -0.06380787090289707 +2 1.173984503142341 1.173984503142341 1.173984503142341 0.9369923833143513 0.11220716044648564 0.06732538499716349 0.3239168400846305 +3 1.173984503142341 1.173984503142341 1.173984503142341 0.797964932091827 0.14473096354527873 0.18374142699366386 0.5554673737937029 +4 1.173984503142341 1.173984503142341 1.173984503142341 0.5660864821344559 0.14688275499481052 0.09873742533340191 0.8051226439917721 +5 1.173984503142341 1.173984503142341 1.173984503142341 0.2533023785125306 0.12062313161679827 0.08583012223905846 0.9559922359911086 +6 1.173984503142341 1.173984503142341 1.173984503142341 -0.03855807343534716 0.08405913137017908 0.02236505169306371 0.9954632800204194 +7 1.173984503142341 1.173984503142341 1.173984503142341 -0.45592844330248017 0.1004550065061007 -0.052524745294758785 0.8827679181910482 +8 1.173984503142341 1.173984503142341 1.173984503142341 0.768021221540491 -0.009582139884533599 0.03658677589040892 -0.63930665074644 +9 1.173984503142341 1.173984503142341 1.173984503142341 -0.23299975754512345 0.688686395231341 0.6747873944883376 -0.12682324016841584 +10 1.173984503142341 1.173984503142341 1.173984503142341 -0.24662061871907232 0.8744456399178389 0.39370836087823996 -0.13970261209395163 +11 1.173984503142341 1.173984503142341 1.173984503142341 -0.087475900850909 0.977367602388229 0.14493549113095577 -0.12686307572668784 +12 1.173984503142341 1.173984503142341 1.173984503142341 -0.03181169300779214 0.9634374984140112 -0.2442360692534371 -0.10547485630879185 +13 1.173984503142341 1.173984503142341 1.173984503142341 -0.032786070696572266 0.7922941528811777 -0.6084214170523915 -0.03191282109962717 +14 1.173984503142341 1.173984503142341 1.173984503142341 0.047188686288341455 0.6316396208287698 -0.7737349519945348 0.011783095844627799 +15 1.173984503142341 1.173984503142341 1.173984503142341 -0.05869980642620335 -0.34229358203414423 0.9376740835056508 0.012519965878508689 +16 1.173984503142341 1.173984503142341 1.173984503142341 -0.08582818143150042 0.0008707732197394232 0.9939540921464659 -0.0684691735853161 diff --git a/examples/PACKAGES/cgdna/examples/oxDNA/duplex2/in.duplex2 b/examples/PACKAGES/cgdna/examples/oxDNA/duplex2/in.duplex2 index 8307d805c3..6a6310b7f0 100644 --- a/examples/PACKAGES/cgdna/examples/oxDNA/duplex2/in.duplex2 +++ b/examples/PACKAGES/cgdna/examples/oxDNA/duplex2/in.duplex2 @@ -11,11 +11,11 @@ newton off boundary p p p -atom_style hybrid bond ellipsoid +atom_style hybrid bond ellipsoid oxdna atom_modify sort 0 1.0 # Pair interactions require lists of neighbours to be calculated -neighbor 1.0 bin +neighbor 2.0 bin neigh_modify every 1 delay 0 check yes read_data data.duplex2 @@ -40,27 +40,16 @@ pair_coeff * * oxdna/xstk 47.5 0.575 0.675 0.495 0.655 2.25 0.791592653589793 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/dot -fix 1 all nve/dotc/langevin ${T} ${T} 0.03 457145 angmom 10 -#fix 1 all nve/asphere -#fix 2 all langevin ${T} ${T} 0.03 457145 angmom 10 +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 10000 1.1 rcb -comm_modify cutoff 2.5 +fix 3 all balance 1000 1.03 shift xyz 10 1.03 +comm_modify cutoff 3.8 -#compute mol all chunk/atom molecule -#compute mychunk all vcm/chunk mol -#fix 4 all ave/time 10000 1 10000 c_mychunk[1] c_mychunk[2] c_mychunk[3] file vcm.txt mode vector - -#dump pos all xyz ${ofreq} traj.${number}.xyz - -#compute quat all property/atom quatw quati quatj quatk -#dump quat all custom ${ofreq} quat.${number}.txt id c_quat[1] c_quat[2] c_quat[3] c_quat[4] -#dump_modify quat sort id -#dump_modify quat format line "%d %13.6le %13.6le %13.6le %13.6le" +compute quat all property/atom quatw quati quatj quatk compute erot all erotate/asphere compute ekin all ke @@ -71,10 +60,10 @@ 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}.txt id x y z vx vy vz fx fy fz tqx tqy tqz -#dump_modify out sort id -#dump_modify out format line "%d %13.6le %13.6le %13.6le %13.6le %13.6le %13.6le %13.6le %13.6le %13.6le %13.6le %13.6le %13.6le" +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 1000000 -#write_restart config.${number}.* +write_data last_config.${number}.* nocoeff 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 new file mode 100644 index 0000000000..f9b5a909eb --- /dev/null +++ b/examples/PACKAGES/cgdna/examples/oxDNA/duplex2/log.27May21.duplex2.g++.1 @@ -0,0 +1,1172 @@ +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 new file mode 100644 index 0000000000..8744f7b4cd --- /dev/null +++ b/examples/PACKAGES/cgdna/examples/oxDNA/duplex2/log.27May21.duplex2.g++.4 @@ -0,0 +1,1172 @@ +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.30Jun20.duplex2.g++.1 b/examples/PACKAGES/cgdna/examples/oxDNA/duplex2/log.30Jun20.duplex2.g++.1 deleted file mode 100644 index f030e0f93c..0000000000 --- a/examples/PACKAGES/cgdna/examples/oxDNA/duplex2/log.30Jun20.duplex2.g++.1 +++ /dev/null @@ -1,1176 +0,0 @@ -LAMMPS (30 Jun 2020) -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 -WARNING: Atom_style hybrid defines both pertype and peratom masses - both must be set, only peratom masses will be used (../atom_vec_hybrid.cpp:156) -atom_modify sort 0 1.0 - -# Pair interactions require lists of neighbours to be calculated -neighbor 1.0 bin -neigh_modify every 1 delay 0 check yes - -read_data data.duplex2 - orthogonal box = (-20 -20 -20) to (20 20 20) - 1 by 1 by 1 MPI processor grid - reading atoms ... - 16 atoms - reading velocities ... - 16 velocities - 16 ellipsoids - scanning bonds ... - 2 = max bonds/atom - reading bonds ... - 13 bonds - 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 = 0.002 seconds - -set atom * mass 3.1575 - 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 - 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/dot -#fix 1 all nve/dotc/langevin ${T} ${T} 0.03 457145 angmom 10 -fix 1 all nve/asphere -fix 2 all langevin ${T} ${T} 0.03 457145 angmom 10 -fix 2 all langevin 0.1 ${T} 0.03 457145 angmom 10 -fix 2 all langevin 0.1 0.1 0.03 457145 angmom 10 - -timestep 1e-5 - -#comm_style tiled -#fix 3 all balance 10000 1.1 rcb -comm_modify cutoff 2.5 - -#compute mol all chunk/atom molecule -#compute mychunk all vcm/chunk mol -#fix 4 all ave/time 10000 1 10000 c_mychunk[1] c_mychunk[2] c_mychunk[3] file vcm.txt mode vector - -#dump pos all xyz ${ofreq} traj.${number}.xyz - -#compute quat all property/atom quatw quati quatj quatk -#dump quat all custom ${ofreq} quat.${number}.txt id c_quat[1] c_quat[2] c_quat[3] c_quat[4] -#dump_modify quat sort id -#dump_modify quat format line "%d %13.6le %13.6le %13.6le %13.6le" - -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}.txt id x y z vx vy vz fx fy fz tqx tqy tqz -#dump_modify out sort id -#dump_modify out format line "%d %13.6le %13.6le %13.6le %13.6le %13.6le %13.6le %13.6le %13.6le %13.6le %13.6le %13.6le %13.6le" - -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 = 1.9560004 - ghost atom cutoff = 2.5 - binsize = 0.97800022, bins = 41 41 41 - 5 neighbor lists, perpetual/occasional/extra = 5 0 0 - (1) pair oxdna/excv, perpetual - attributes: half, newton off - pair build: half/bin/newtoff - stencil: half/bin/3d/newtoff - bin: standard - (2) pair oxdna/stk, perpetual, copy from (1) - attributes: half, newton off - pair build: copy - stencil: none - bin: none - (3) pair oxdna/hbond, perpetual, copy from (1) - attributes: half, newton off - pair build: copy - stencil: none - bin: none - (4) pair oxdna/xstk, perpetual, copy from (1) - attributes: half, newton off - pair build: copy - stencil: none - bin: none - (5) pair oxdna/coaxstk, perpetual, copy from (1) - attributes: half, newton off - pair build: copy - stencil: none - bin: none -0 ekin = 0 | erot = 0 | epot = -24.5312382023597 | etot = -24.5312382023597 -Per MPI rank memory allocation (min/avg/max) = 8.008 | 8.008 | 8.008 Mbytes -Step Temp E_pair E_mol TotEng Press - 0 0 -1.5402493 0.0070469125 -1.5332024 6.0760034e-06 -1000 ekin = 1.14690574396998 | erot = 2.51569518930742 | epot = -24.5229788082339 | etot = -20.8603778749565 -2000 ekin = 1.45399965653676 | erot = 2.47529346761995 | epot = -24.5053413112924 | etot = -20.5760481871357 -3000 ekin = 1.98748516841538 | erot = 2.27869060236515 | epot = -24.479432022183 | etot = -20.2132562514025 -4000 ekin = 1.64496816080429 | erot = 1.81579764130658 | epot = -24.4776224042961 | etot = -21.0168566021853 -5000 ekin = 1.84895966245555 | erot = 2.72664609970378 | epot = -24.4004650506536 | etot = -19.8248592884943 -6000 ekin = 2.81982646967251 | erot = 2.27943933047792 | epot = -24.3708804580518 | etot = -19.2716146579014 -7000 ekin = 3.4295488541453 | erot = 3.06244546790251 | epot = -24.2894811609395 | etot = -17.7974868388917 -8000 ekin = 3.46902364328651 | erot = 1.87163076744154 | epot = -24.2046945377415 | etot = -18.8640401270135 -9000 ekin = 3.42624221752733 | erot = 2.19665328890067 | epot = -24.1061295133862 | etot = -18.4832340069582 -10000 ekin = 3.47261688291849 | erot = 2.11359627880933 | epot = -23.9936001795499 | etot = -18.4073870178221 -11000 ekin = 2.94815134012461 | erot = 1.68371787420979 | epot = -23.8824451066212 | etot = -19.2505758922868 -12000 ekin = 2.91661369846828 | erot = 2.44986569301244 | epot = -23.7971038712851 | etot = -18.4306244798044 -13000 ekin = 2.90452877485052 | erot = 3.15041912070996 | epot = -23.7183348836954 | etot = -17.6633869881349 -14000 ekin = 3.03173396911322 | erot = 3.20528252680661 | epot = -23.6395534566822 | etot = -17.4025369607624 -15000 ekin = 3.10924339992056 | erot = 2.34851811722898 | epot = -23.5718810747763 | etot = -18.1141195576268 -16000 ekin = 2.21129165426584 | erot = 2.77310226941398 | epot = -23.4674880203451 | etot = -18.4830940966653 -17000 ekin = 1.64364291226705 | erot = 2.11093006069599 | epot = -23.4464921197588 | etot = -19.6919191467958 -18000 ekin = 1.71575404949661 | erot = 2.18377153128382 | epot = -23.4394231359426 | etot = -19.5398975551621 -19000 ekin = 2.74802968392513 | erot = 3.43483629560937 | epot = -23.451104173519 | etot = -17.2682381939845 -20000 ekin = 2.3643229041162 | erot = 2.97756435312011 | epot = -23.4354516313364 | etot = -18.0935643741001 -21000 ekin = 3.01197341291121 | erot = 2.06047278730446 | epot = -23.4653464733578 | etot = -18.3929002731421 -22000 ekin = 2.72181189461236 | erot = 1.68043760380063 | epot = -23.499010600721 | etot = -19.0967611023081 -23000 ekin = 2.78354866420193 | erot = 2.27555762688526 | epot = -23.4149266394174 | etot = -18.3558203483302 -24000 ekin = 2.70238951268775 | erot = 2.77699460975588 | epot = -23.3727816681014 | etot = -17.8933975456577 -25000 ekin = 2.79329314290743 | erot = 1.72270284379168 | epot = -23.4092634474478 | etot = -18.8932674607487 -26000 ekin = 2.12045088758989 | erot = 2.56536846297423 | epot = -23.4001345199736 | etot = -18.7143151694095 -27000 ekin = 2.13984384122857 | erot = 2.80867896704025 | epot = -23.372540623668 | etot = -18.4240178153992 -28000 ekin = 1.83987887691915 | erot = 1.95066344021761 | epot = -23.3274470842878 | etot = -19.536904767151 -29000 ekin = 1.89211705701482 | erot = 2.1696768345372 | epot = -23.293062192394 | etot = -19.231268300842 -30000 ekin = 2.14849041779036 | erot = 2.16067509784504 | epot = -23.2773582752331 | etot = -18.9681927595977 -31000 ekin = 2.67234738212361 | erot = 2.86863391076037 | epot = -23.2995071870109 | etot = -17.7585258941269 -32000 ekin = 2.53397631055537 | erot = 2.90803809156287 | epot = -23.2362493660415 | etot = -17.7942349639233 -33000 ekin = 3.08856443970765 | erot = 2.77830373791794 | epot = -23.1957127399696 | etot = -17.328844562344 -34000 ekin = 2.34758696559903 | erot = 2.73235573196028 | epot = -23.1859092641964 | etot = -18.1059665666371 -35000 ekin = 2.37656125971695 | erot = 2.21670282442912 | epot = -23.2990352575428 | etot = -18.7057711733968 -36000 ekin = 1.91500165278598 | erot = 2.22479415969906 | epot = -23.3423509866966 | etot = -19.2025551742115 -37000 ekin = 1.90416513806792 | erot = 2.44362474415858 | epot = -23.4523097395397 | etot = -19.1045198573132 -38000 ekin = 2.64855728429901 | erot = 2.6250961281024 | epot = -23.4330562973534 | etot = -18.159402884952 -39000 ekin = 2.47023253086004 | erot = 2.94458438664745 | epot = -23.3886129152296 | etot = -17.9737959977221 -40000 ekin = 2.36649278209599 | erot = 2.21667374563979 | epot = -23.3060594391637 | etot = -18.722892911428 -41000 ekin = 2.11640638984279 | erot = 2.75431236003956 | epot = -23.296637047546 | etot = -18.4259182976636 -42000 ekin = 2.19538989967685 | erot = 2.80995153019434 | epot = -23.3287628829795 | etot = -18.3234214531083 -43000 ekin = 2.28336241709741 | erot = 1.91100961808481 | epot = -23.398154745965 | etot = -19.2037827107827 -44000 ekin = 2.43910444561977 | erot = 2.20967357150541 | epot = -23.3408075599757 | etot = -18.6920295428505 -45000 ekin = 1.99725725495469 | erot = 2.55697923716124 | epot = -23.2988802257869 | etot = -18.744643733671 -46000 ekin = 2.80179143005448 | erot = 3.94591979804991 | epot = -23.2634234091195 | etot = -16.5157121810151 -47000 ekin = 2.00831918922489 | erot = 1.99358498528542 | epot = -23.1997437408908 | etot = -19.1978395663805 -48000 ekin = 2.65343777724262 | erot = 3.19529693167641 | epot = -23.2752277173461 | etot = -17.4264930084271 -49000 ekin = 3.08609210167617 | erot = 3.098444131902 | epot = -23.3331562765622 | etot = -17.148620042984 -50000 ekin = 2.79161045816108 | erot = 3.87280243835105 | epot = -23.283716155905 | etot = -16.6193032593929 -51000 ekin = 2.63041022395737 | erot = 1.73292678860556 | epot = -23.2028735154881 | etot = -18.8395365029252 -52000 ekin = 2.18205853362573 | erot = 2.96101862628972 | epot = -23.1079417719452 | etot = -17.9648646120298 -53000 ekin = 2.3943556604873 | erot = 3.52800628354648 | epot = -23.0586505350936 | etot = -17.1362885910599 -54000 ekin = 2.12390729593688 | erot = 2.48502694765291 | epot = -22.9790932946842 | etot = -18.3701590510944 -55000 ekin = 1.95245465404747 | erot = 2.39606028736228 | epot = -23.0362462549527 | etot = -18.687731313543 -56000 ekin = 2.078586656515 | erot = 2.51006580668827 | epot = -23.0629170158575 | etot = -18.4742645526543 -57000 ekin = 2.60842664676812 | erot = 3.02172637784133 | epot = -23.0307524021856 | etot = -17.4005993775762 -58000 ekin = 2.99447041104738 | erot = 2.32823492888449 | epot = -23.0721969273868 | etot = -17.7494915874549 -59000 ekin = 2.4566598353902 | erot = 2.43942437937462 | epot = -23.0847799943358 | etot = -18.188695779571 -60000 ekin = 2.6971497663209 | erot = 1.66133214228194 | epot = -23.0332753747144 | etot = -18.6747934661116 -61000 ekin = 2.11191914746267 | erot = 1.6204782869367 | epot = -22.9667049822233 | etot = -19.234307547824 -62000 ekin = 2.11717212979171 | erot = 2.47796844210791 | epot = -22.8144212994634 | etot = -18.2192807275637 -63000 ekin = 2.72171812217735 | erot = 2.66368566253267 | epot = -22.7776567061626 | etot = -17.3922529214526 -64000 ekin = 3.22835802379379 | erot = 2.36781220330958 | epot = -22.7933861176758 | etot = -17.1972158905724 -65000 ekin = 3.64756058058813 | erot = 3.15015944023671 | epot = -22.7765851531231 | etot = -15.9788651322982 -66000 ekin = 2.66639386198067 | erot = 2.72112154754982 | epot = -22.7755021487188 | etot = -17.3879867391884 -67000 ekin = 2.38306133316432 | erot = 2.49378542212015 | epot = -22.7973748348603 | etot = -17.9205280795759 -68000 ekin = 2.52481286112851 | erot = 3.23872813661013 | epot = -22.8468557220554 | etot = -17.0833147243168 -69000 ekin = 2.60430769391747 | erot = 3.00968890211103 | epot = -22.8318824138615 | etot = -17.217885817833 -70000 ekin = 2.72529278847958 | erot = 2.96912272855297 | epot = -22.9182544554594 | etot = -17.2238389384268 -71000 ekin = 2.30851064297996 | erot = 2.44510178131689 | epot = -23.110146286175 | etot = -18.3565338618781 -72000 ekin = 1.86333205174444 | erot = 2.21918738219008 | epot = -23.2088713208781 | etot = -19.1263518869436 -73000 ekin = 1.97363737837151 | erot = 2.92039675389546 | epot = -23.3456188157452 | etot = -18.4515846834783 -74000 ekin = 2.03973663696274 | erot = 2.44352827046787 | epot = -23.3706565736274 | etot = -18.8873916661968 -75000 ekin = 2.13029836638111 | erot = 2.25069247013825 | epot = -23.3468514357058 | etot = -18.9658605991864 -76000 ekin = 1.86911909276267 | erot = 1.88174803064112 | epot = -23.3433063511182 | etot = -19.5924392277144 -77000 ekin = 2.8311971230152 | erot = 1.4764600924275 | epot = -23.3736217515866 | etot = -19.0659645361439 -78000 ekin = 3.02331647633308 | erot = 3.49408579644919 | epot = -23.4257428368656 | etot = -16.9083405640833 -79000 ekin = 3.51133596793171 | erot = 2.66043649565033 | epot = -23.4320673594166 | etot = -17.2602948958345 -80000 ekin = 2.88371521187479 | erot = 1.92272084366328 | epot = -23.4437991576283 | etot = -18.6373631020903 -81000 ekin = 2.93345241699417 | erot = 2.30354045717278 | epot = -23.4023767063862 | etot = -18.1653838322193 -82000 ekin = 2.31364693930239 | erot = 1.52107123456185 | epot = -23.332732976686 | etot = -19.4980148028218 -83000 ekin = 2.79964810868887 | erot = 3.01031848157711 | epot = -23.1805490994262 | etot = -17.3705825091602 -84000 ekin = 3.14238697097954 | erot = 2.54443984047462 | epot = -23.0036486008467 | etot = -17.3168217893925 -85000 ekin = 3.11037170652329 | erot = 2.81688612333738 | epot = -22.9040286513178 | etot = -16.9767708214572 -86000 ekin = 3.24614571607055 | erot = 2.4691668527709 | epot = -22.9115348786951 | etot = -17.1962223098536 -87000 ekin = 3.15148333101924 | erot = 2.81476071986705 | epot = -22.88497016051 | etot = -16.9187261096237 -88000 ekin = 2.79204781171839 | erot = 2.11551211421263 | epot = -22.9365333909989 | etot = -18.0289734650679 -89000 ekin = 2.35289392365394 | erot = 3.20722667156868 | epot = -22.838834182654 | etot = -17.2787135874314 -90000 ekin = 2.37582791595297 | erot = 2.35376824711544 | epot = -22.7759716111928 | etot = -18.0463754481244 -91000 ekin = 2.11229902300038 | erot = 2.49991596560396 | epot = -22.7428668079145 | etot = -18.1306518193102 -92000 ekin = 2.18222080456226 | erot = 2.12578389554434 | epot = -22.6742877211503 | etot = -18.3662830210437 -93000 ekin = 2.21095150681925 | erot = 3.26438303982222 | epot = -22.5594438754277 | etot = -17.0841093287862 -94000 ekin = 2.12232737083461 | erot = 3.41982221867449 | epot = -22.5731643271249 | etot = -17.0310147376158 -95000 ekin = 1.85629034286763 | erot = 1.96410759501716 | epot = -22.59538207669 | etot = -18.7749841388052 -96000 ekin = 2.39869119547858 | erot = 2.71927150056489 | epot = -22.6306283736797 | etot = -17.5126656776363 -97000 ekin = 2.66273024813647 | erot = 1.89080412966723 | epot = -22.6359449758314 | etot = -18.0824105980277 -98000 ekin = 2.85072927082227 | erot = 1.60816717415087 | epot = -22.7177273012906 | etot = -18.2588308563174 -99000 ekin = 2.83238909889775 | erot = 2.47205959733049 | epot = -22.8003244534363 | etot = -17.495875757208 -100000 ekin = 2.41865993058067 | erot = 2.0598579213647 | epot = -22.9852243238147 | etot = -18.5067064718694 -101000 ekin = 2.54841697870327 | erot = 2.36461883832458 | epot = -23.0633841926615 | etot = -18.1503483756336 -102000 ekin = 2.54594946615645 | erot = 2.86139475908785 | epot = -23.1098219772669 | etot = -17.7024777520226 -103000 ekin = 2.13582591081888 | erot = 2.12361330514722 | epot = -23.1354410963672 | etot = -18.8760018804011 -104000 ekin = 2.21385815248422 | erot = 2.29274274660023 | epot = -23.0865139718305 | etot = -18.5799130727461 -105000 ekin = 2.44889646860174 | erot = 2.75107727112909 | epot = -23.0544140778533 | etot = -17.8544403381225 -106000 ekin = 1.95956756411726 | erot = 2.3209345631325 | epot = -23.0430612833128 | etot = -18.7625591560631 -107000 ekin = 2.27802020438547 | erot = 2.08909400930221 | epot = -23.0686930034876 | etot = -18.7015787897999 -108000 ekin = 1.90572708538444 | erot = 3.13702334473575 | epot = -23.0271860838353 | etot = -17.9844356537151 -109000 ekin = 2.39380259291066 | erot = 2.22054516746467 | epot = -23.0249223512454 | etot = -18.41057459087 -110000 ekin = 2.26587242950359 | erot = 2.25607481649737 | epot = -23.039981892631 | etot = -18.51803464663 -111000 ekin = 2.15727458703525 | erot = 1.98358283370136 | epot = -23.0767942184013 | etot = -18.9359367976647 -112000 ekin = 2.3828169618658 | erot = 2.69686827828485 | epot = -23.1107895116834 | etot = -18.0311042715327 -113000 ekin = 2.8101781075741 | erot = 2.59950194588724 | epot = -23.0287341179313 | etot = -17.6190540644699 -114000 ekin = 2.35455919019172 | erot = 3.20470938308889 | epot = -22.9694690534849 | etot = -17.4102004802043 -115000 ekin = 2.4406692440432 | erot = 1.89109901084122 | epot = -22.9284259454167 | etot = -18.5966576905323 -116000 ekin = 2.31064767487137 | erot = 2.83979549060621 | epot = -22.9485617435445 | etot = -17.7981185780669 -117000 ekin = 2.08937942523073 | erot = 2.22599804456159 | epot = -22.8649871463364 | etot = -18.5496096765441 -118000 ekin = 2.13839981510475 | erot = 2.6042059558218 | epot = -22.7656872587424 | etot = -18.0230814878159 -119000 ekin = 2.82390266451549 | erot = 2.20939391190357 | epot = -22.7729728906623 | etot = -17.7396763142432 -120000 ekin = 2.01401322106231 | erot = 2.48866024138323 | epot = -22.6353588152779 | etot = -18.1326853528324 -121000 ekin = 2.38145077479306 | erot = 3.12007697133009 | epot = -22.5496980171072 | etot = -17.048170270984 -122000 ekin = 3.27512287434745 | erot = 3.22243197902324 | epot = -22.5766115874577 | etot = -16.079056734087 -123000 ekin = 2.81132514620283 | erot = 2.86307874434964 | epot = -22.6263844574797 | etot = -16.9519805669272 -124000 ekin = 2.19849534367232 | erot = 2.58327740029555 | epot = -22.632926922485 | etot = -17.8511541785171 -125000 ekin = 1.9938456811927 | erot = 1.90953618390393 | epot = -22.6331404835376 | etot = -18.7297586184409 -126000 ekin = 2.42731825528385 | erot = 2.87237001426948 | epot = -22.6106846507781 | etot = -17.3109963812248 -127000 ekin = 1.95505736761304 | erot = 2.81720121527978 | epot = -22.5579301674971 | etot = -17.7856715846043 -128000 ekin = 2.10594260964226 | erot = 2.01356984269814 | epot = -22.4981321684107 | etot = -18.3786197160703 -129000 ekin = 2.55520588445759 | erot = 2.57894735511156 | epot = -22.559207781978 | etot = -17.4250545424089 -130000 ekin = 2.86259834978311 | erot = 2.18965938451607 | epot = -22.5770466332128 | etot = -17.5247888989136 -131000 ekin = 2.86321076870393 | erot = 1.66847645340269 | epot = -22.529949359668 | etot = -17.9982621375613 -132000 ekin = 2.93426604771556 | erot = 3.00425629789163 | epot = -22.5601802720307 | etot = -16.6216579264235 -133000 ekin = 3.65754901201543 | erot = 1.43666262449492 | epot = -22.6237662747263 | etot = -17.529554638216 -134000 ekin = 2.18898923715712 | erot = 2.33049897457535 | epot = -22.7470394091699 | etot = -18.2275511974375 -135000 ekin = 2.03823330514395 | erot = 2.69291476269712 | epot = -22.8900275663634 | etot = -18.1588794985223 -136000 ekin = 2.6538713732039 | erot = 2.40958876583255 | epot = -22.9857440078583 | etot = -17.9222838688218 -137000 ekin = 3.12283566057286 | erot = 3.49983145404452 | epot = -23.0096984445474 | etot = -16.3870313299301 -138000 ekin = 2.45014875520084 | erot = 2.4508647359669 | epot = -23.0794084265037 | etot = -18.178394935336 -139000 ekin = 2.03608492985731 | erot = 1.97462403722722 | epot = -23.178945590097 | etot = -19.1682366230125 -140000 ekin = 2.8375811142686 | erot = 2.49376841321459 | epot = -23.298440206365 | etot = -17.9670906788818 -141000 ekin = 2.83405987670134 | erot = 2.48065309139941 | epot = -23.4226619452758 | etot = -18.107948977175 -142000 ekin = 3.19333498685692 | erot = 3.17336002986012 | epot = -23.3250285546098 | etot = -16.9583335378927 -143000 ekin = 2.2053085459229 | erot = 2.51795869911564 | epot = -23.4007031674318 | etot = -18.6774359223932 -144000 ekin = 3.13477789699627 | erot = 2.69612114268137 | epot = -23.3846120043903 | etot = -17.5537129647126 -145000 ekin = 3.05703751181504 | erot = 2.77857540632303 | epot = -23.3935227778029 | etot = -17.5579098596648 -146000 ekin = 3.56567491078422 | erot = 1.97456126200808 | epot = -23.3912044699534 | etot = -17.8509682971611 -147000 ekin = 2.62692101320613 | erot = 2.7990853604292 | epot = -23.4731299563114 | etot = -18.0471235826761 -148000 ekin = 2.45471110479969 | erot = 1.97948594654501 | epot = -23.5390482551317 | etot = -19.104851203787 -149000 ekin = 2.91425191756495 | erot = 2.34219263228086 | epot = -23.5494392195753 | etot = -18.2929946697295 -150000 ekin = 2.11267470955651 | erot = 3.15139951917672 | epot = -23.456213233303 | etot = -18.1921390045698 -151000 ekin = 1.89283581343662 | erot = 2.39812863380885 | epot = -23.3591999925057 | etot = -19.0682355452602 -152000 ekin = 2.40790737144431 | erot = 2.01427800135936 | epot = -23.2626112351643 | etot = -18.8404258623606 -153000 ekin = 2.05155784053096 | erot = 2.23618306870396 | epot = -23.2634856578898 | etot = -18.9757447486549 -154000 ekin = 2.51778354567736 | erot = 3.20314773898096 | epot = -23.2975528150325 | etot = -17.5766215303742 -155000 ekin = 2.00284429469695 | erot = 2.89937315438495 | epot = -23.3218945133551 | etot = -18.4196770642732 -156000 ekin = 1.91144554872485 | erot = 2.99821559619451 | epot = -23.2209466091476 | etot = -18.3112854642282 -157000 ekin = 2.43182251041877 | erot = 1.62406041783895 | epot = -23.1045847485264 | etot = -19.0487018202686 -158000 ekin = 2.09298289420886 | erot = 2.6766289229666 | epot = -23.031927214759 | etot = -18.2623153975835 -159000 ekin = 2.20764198734381 | erot = 2.83616967442204 | epot = -22.9227666897823 | etot = -17.8789550280164 -160000 ekin = 2.21243983900826 | erot = 2.20003736549807 | epot = -22.9543660393476 | etot = -18.5418888348412 -161000 ekin = 2.45073410895006 | erot = 2.43388496890226 | epot = -22.9636574775946 | etot = -18.0790383997422 -162000 ekin = 2.17367299341061 | erot = 2.69488535843695 | epot = -23.0527030224094 | etot = -18.1841446705618 -163000 ekin = 1.6416624121019 | erot = 2.84097373738807 | epot = -23.1292124278341 | etot = -18.6465762783441 -164000 ekin = 1.67565049116239 | erot = 2.68380704848371 | epot = -23.1590424140942 | etot = -18.7995848744481 -165000 ekin = 2.42206226766745 | erot = 2.72988204300635 | epot = -23.1799778993767 | etot = -18.0280335887029 -166000 ekin = 3.14880802219226 | erot = 2.84384837642053 | epot = -23.2429974571314 | etot = -17.2503410585186 -167000 ekin = 2.25647190185324 | erot = 2.22025584454645 | epot = -23.3152815140534 | etot = -18.8385537676537 -168000 ekin = 2.05307577726746 | erot = 1.92982813234681 | epot = -23.3121709078534 | etot = -19.3292669982392 -169000 ekin = 2.25333032487684 | erot = 2.03837973951729 | epot = -23.3314587534472 | etot = -19.0397486890531 -170000 ekin = 3.24025514660291 | erot = 2.68054613971874 | epot = -23.2656213247604 | etot = -17.3448200384388 -171000 ekin = 3.26091283919611 | erot = 2.31337270355485 | epot = -23.30671463487 | etot = -17.732429092119 -172000 ekin = 3.71728985541098 | erot = 2.37762994657772 | epot = -23.3035184476851 | etot = -17.2085986456964 -173000 ekin = 3.15518229037533 | erot = 2.74844421936228 | epot = -23.2758116201384 | etot = -17.3721851104007 -174000 ekin = 2.99648976213193 | erot = 1.71811302453253 | epot = -23.1981882260451 | etot = -18.4835854393806 -175000 ekin = 2.57240965973333 | erot = 2.55046855203897 | epot = -23.1014541624941 | etot = -17.9785759507218 -176000 ekin = 1.93852156602125 | erot = 2.47332967602318 | epot = -23.1368569455589 | etot = -18.7250057035145 -177000 ekin = 2.80960374115401 | erot = 1.95409121605924 | epot = -23.0982934782514 | etot = -18.3345985210382 -178000 ekin = 2.33244636491393 | erot = 2.27408462832222 | epot = -23.0825224910612 | etot = -18.4759914978251 -179000 ekin = 2.13982176908862 | erot = 2.89346836042849 | epot = -23.0763356798213 | etot = -18.0430455503042 -180000 ekin = 2.207400927993 | erot = 1.5562703232207 | epot = -23.0740416866628 | etot = -19.3103704354491 -181000 ekin = 2.12924843078766 | erot = 3.48717124411563 | epot = -22.9481791847174 | etot = -17.3317595098141 -182000 ekin = 1.86429514249569 | erot = 2.12691540074977 | epot = -22.8573607952401 | etot = -18.8661502519946 -183000 ekin = 2.49432213049246 | erot = 1.94397526976538 | epot = -22.8739996678934 | etot = -18.4357022676356 -184000 ekin = 2.32559536618148 | erot = 2.16188851089671 | epot = -22.8801350202001 | etot = -18.3926511431219 -185000 ekin = 3.43221902743033 | erot = 2.76663819243887 | epot = -22.7961878859294 | etot = -16.5973306660602 -186000 ekin = 3.27655677826301 | erot = 2.10542412812558 | epot = -22.5860615279726 | etot = -17.204080621584 -187000 ekin = 3.21808565073807 | erot = 3.12646745373177 | epot = -22.4680437052799 | etot = -16.1234906008101 -188000 ekin = 3.29470028080779 | erot = 2.71885909254934 | epot = -22.4777213671005 | etot = -16.4641619937434 -189000 ekin = 2.29225438861808 | erot = 2.15238017837044 | epot = -22.4423181907693 | etot = -17.9976836237808 -190000 ekin = 2.31172879251782 | erot = 1.69869193216314 | epot = -22.4421736779848 | etot = -18.4317529533038 -191000 ekin = 2.44737449537105 | erot = 1.95471142288415 | epot = -22.4940636736618 | etot = -18.0919777554066 -192000 ekin = 2.65685760576573 | erot = 2.49493427834054 | epot = -22.551770059613 | etot = -17.3999781755067 -193000 ekin = 2.01491600271975 | erot = 2.53697801257504 | epot = -22.611413796154 | etot = -18.0595197808592 -194000 ekin = 2.13098665262876 | erot = 2.65162788921838 | epot = -22.6516249427401 | etot = -17.869010400893 -195000 ekin = 2.15880156426523 | erot = 2.30285156951273 | epot = -22.6801152411448 | etot = -18.2184621073669 -196000 ekin = 2.26045454251242 | erot = 1.7400410306741 | epot = -22.6243696974319 | etot = -18.6238741242454 -197000 ekin = 2.08353851799175 | erot = 2.84019387252897 | epot = -22.5254653541291 | etot = -17.6017329636084 -198000 ekin = 2.40254425598167 | erot = 1.59510544084176 | epot = -22.4875571568747 | etot = -18.4899074600513 -199000 ekin = 2.32315315727966 | erot = 1.64758309421108 | epot = -22.3940543169462 | etot = -18.4233180654554 -200000 ekin = 1.9344201599962 | erot = 2.09946369983286 | epot = -22.3163824882501 | etot = -18.282498628421 -201000 ekin = 2.25758946372665 | erot = 1.57318447391795 | epot = -22.2162199013465 | etot = -18.3854459637019 -202000 ekin = 2.14286142871167 | erot = 1.84411011823104 | epot = -22.0782645916587 | etot = -18.0912930447159 -203000 ekin = 1.82640790776851 | erot = 3.05975799451598 | epot = -21.9788881819889 | etot = -17.0927222797045 -204000 ekin = 1.62851140603835 | erot = 1.97764157787611 | epot = -21.9332382928783 | etot = -18.3270853089638 -205000 ekin = 1.25482843048893 | erot = 2.20166998646264 | epot = -21.8845360273862 | etot = -18.4280376104346 -206000 ekin = 1.73414183779997 | erot = 1.82150010232861 | epot = -21.8773801883845 | etot = -18.321738248256 -207000 ekin = 1.94750322930568 | erot = 2.48531516705681 | epot = -21.9295431113514 | etot = -17.496724714989 -208000 ekin = 2.09568882924412 | erot = 3.03912830731326 | epot = -22.0166563659434 | etot = -16.881839229386 -209000 ekin = 2.64700139449842 | erot = 2.33696819850967 | epot = -22.1001648259952 | etot = -17.1161952329871 -210000 ekin = 2.84808049130809 | erot = 3.0333180373391 | epot = -22.1925404483828 | etot = -16.3111419197356 -211000 ekin = 1.9735208459781 | erot = 2.67635943704183 | epot = -22.2979529780579 | etot = -17.648072695038 -212000 ekin = 1.60231135436244 | erot = 2.66527693950093 | epot = -22.3334257809678 | etot = -18.0658374871044 -213000 ekin = 1.33634411107147 | erot = 2.64593792571916 | epot = -22.4180515625624 | etot = -18.4357695257718 -214000 ekin = 2.2947085637024 | erot = 1.7654025455793 | epot = -22.5146947473979 | etot = -18.4545836381162 -215000 ekin = 2.54235331845419 | erot = 2.59070032226104 | epot = -22.5977548514775 | etot = -17.4647012107623 -216000 ekin = 2.50726683350059 | erot = 2.07957683306215 | epot = -22.6514435658203 | etot = -18.0645998992575 -217000 ekin = 2.56666688563484 | erot = 2.10721620203285 | epot = -22.7585726045596 | etot = -18.0846895168919 -218000 ekin = 2.3809214758614 | erot = 2.40889946821003 | epot = -22.7858427946485 | etot = -17.996021850577 -219000 ekin = 2.62297703802767 | erot = 1.72015460606372 | epot = -22.8179577818034 | etot = -18.474826137712 -220000 ekin = 2.04452501529803 | erot = 2.48366646228854 | epot = -22.8152593234185 | etot = -18.2870678458319 -221000 ekin = 2.016790382988 | erot = 1.92179513943576 | epot = -22.7675242743918 | etot = -18.8289387519681 -222000 ekin = 2.48246285927141 | erot = 2.69662232500728 | epot = -22.6922041676861 | etot = -17.5131189834074 -223000 ekin = 2.07315316544961 | erot = 2.59399918829032 | epot = -22.6977764075015 | etot = -18.0306240537616 -224000 ekin = 2.13964582929342 | erot = 2.15545737968983 | epot = -22.6791813082171 | etot = -18.3840780992338 -225000 ekin = 2.4443131371706 | erot = 3.02968637363015 | epot = -22.6416871024202 | etot = -17.1676875916194 -226000 ekin = 2.14901519929161 | erot = 2.34793235846519 | epot = -22.69101275787 | etot = -18.1940652001132 -227000 ekin = 2.85261296673757 | erot = 2.16469654263134 | epot = -22.6647959494624 | etot = -17.6474864400935 -228000 ekin = 2.0542557730781 | erot = 2.41859943175188 | epot = -22.648254263469 | etot = -18.175399058639 -229000 ekin = 1.71712866311074 | erot = 2.00134448676601 | epot = -22.656184548909 | etot = -18.9377113990323 -230000 ekin = 2.93835687549904 | erot = 2.52588891439014 | epot = -22.686473096368 | etot = -17.2222273064788 -231000 ekin = 3.65320646645271 | erot = 2.50996334898014 | epot = -22.6663620829857 | etot = -16.5031922675529 -232000 ekin = 2.74858319742744 | erot = 2.15737431011052 | epot = -22.7650781743548 | etot = -17.8591206668168 -233000 ekin = 2.20526469100055 | erot = 1.96946858309177 | epot = -22.808033211882 | etot = -18.6332999377897 -234000 ekin = 3.0329543267647 | erot = 1.91197211768344 | epot = -22.7639916522477 | etot = -17.8190652077996 -235000 ekin = 2.67265278717495 | erot = 2.49323486871604 | epot = -22.8047732486684 | etot = -17.6388855927774 -236000 ekin = 2.45357393436119 | erot = 2.51245746374309 | epot = -22.7782827985553 | etot = -17.812251400451 -237000 ekin = 2.58384683986252 | erot = 2.47764708446689 | epot = -22.8498966602044 | etot = -17.788402735875 -238000 ekin = 2.48850542531642 | erot = 2.95888408934022 | epot = -22.8461058630726 | etot = -17.3987163484159 -239000 ekin = 2.5081973607743 | erot = 2.88284977556179 | epot = -22.8253656494842 | etot = -17.4343185131481 -240000 ekin = 2.80266521029648 | erot = 2.42429156361948 | epot = -22.7822778944155 | etot = -17.5553211204995 -241000 ekin = 2.22400241744572 | erot = 2.47541442439962 | epot = -22.708502965295 | etot = -18.0090861234496 -242000 ekin = 2.1369278840666 | erot = 3.31767605383442 | epot = -22.6765710785147 | etot = -17.2219671406136 -243000 ekin = 2.31455276379189 | erot = 1.97486717843967 | epot = -22.6835713954336 | etot = -18.3941514532021 -244000 ekin = 2.08913537180933 | erot = 2.74057497391117 | epot = -22.6588502228669 | etot = -17.8291398771464 -245000 ekin = 2.13326066848594 | erot = 2.26727722045252 | epot = -22.5891755212551 | etot = -18.1886376323167 -246000 ekin = 1.98597399772947 | erot = 2.24414289909305 | epot = -22.581751166757 | etot = -18.3516342699345 -247000 ekin = 1.7029908245814 | erot = 2.65850843105303 | epot = -22.5730238533539 | etot = -18.2115245977195 -248000 ekin = 2.17045477909461 | erot = 2.21012477326125 | epot = -22.6387048466336 | etot = -18.2581252942777 -249000 ekin = 2.19972531736336 | erot = 2.93804177761671 | epot = -22.667836810757 | etot = -17.530069715777 -250000 ekin = 2.30859844416928 | erot = 2.87484738519315 | epot = -22.7208193440242 | etot = -17.5373735146618 -251000 ekin = 3.15133859857999 | erot = 2.3610033133862 | epot = -22.7532913869796 | etot = -17.2409494750134 -252000 ekin = 2.10711705767907 | erot = 2.93803244308709 | epot = -22.8141998177766 | etot = -17.7690503170104 -253000 ekin = 1.81446587076888 | erot = 3.64847052994272 | epot = -22.7589188116659 | etot = -17.2959824109543 -254000 ekin = 2.38246471864852 | erot = 2.74330406814437 | epot = -22.637470157389 | etot = -17.5117013705961 -255000 ekin = 2.82281981879266 | erot = 2.17751399966926 | epot = -22.6480625048929 | etot = -17.647728686431 -256000 ekin = 2.91721347856852 | erot = 2.29499077181347 | epot = -22.7096621530392 | etot = -17.4974579026573 -257000 ekin = 2.82748375072692 | erot = 3.52099588673786 | epot = -22.6484013012936 | etot = -16.2999216638288 -258000 ekin = 2.19992203178142 | erot = 2.12042549810482 | epot = -22.6612060734149 | etot = -18.3408585435286 -259000 ekin = 2.13920518349551 | erot = 2.2459631658656 | epot = -22.6156265174457 | etot = -18.2304581680846 -260000 ekin = 2.4332113427451 | erot = 2.77503683051912 | epot = -22.6321520875833 | etot = -17.4239039143191 -261000 ekin = 2.05779939929259 | erot = 2.13973837948785 | epot = -22.6823931019282 | etot = -18.4848553231477 -262000 ekin = 2.79110837358257 | erot = 2.25626689025766 | epot = -22.7214681566511 | etot = -17.6740928928109 -263000 ekin = 2.78883106934821 | erot = 1.69356075172848 | epot = -22.7142967476141 | etot = -18.2319049265375 -264000 ekin = 2.20259381207698 | erot = 1.55086518385097 | epot = -22.6762941554802 | etot = -18.9228351595523 -265000 ekin = 2.0317762551793 | erot = 2.12583868325911 | epot = -22.712761701767 | etot = -18.5551467633286 -266000 ekin = 2.50197151162485 | erot = 2.91236336851854 | epot = -22.8558243132671 | etot = -17.4414894331237 -267000 ekin = 2.26171294775303 | erot = 1.4691550288396 | epot = -22.8708165336687 | etot = -19.1399485570761 -268000 ekin = 2.44836854545511 | erot = 2.9937425626706 | epot = -22.7570882008955 | etot = -17.3149770927698 -269000 ekin = 1.58300780634396 | erot = 3.22395730855789 | epot = -22.3907113081099 | etot = -17.5837461932081 -270000 ekin = 2.32322184760979 | erot = 3.06382421219438 | epot = -22.3881691749602 | etot = -17.001123115156 -271000 ekin = 3.60469687596824 | erot = 1.9797358598963 | epot = -22.4683966465291 | etot = -16.8839639106645 -272000 ekin = 3.51923106402285 | erot = 2.03023285354504 | epot = -22.4603583954676 | etot = -16.9108944778997 -273000 ekin = 2.11482184852541 | erot = 2.44627955820304 | epot = -22.3849709951286 | etot = -17.8238695884002 -274000 ekin = 1.92099330523926 | erot = 1.84100701949309 | epot = -22.4079231056523 | etot = -18.64592278092 -275000 ekin = 2.00926480279114 | erot = 2.3425841103212 | epot = -22.5238525372828 | etot = -18.1720036241704 -276000 ekin = 2.63097538006804 | erot = 2.50136285103272 | epot = -22.5353755283889 | etot = -17.4030372972882 -277000 ekin = 1.82015412793384 | erot = 1.70696131852909 | epot = -22.5292430541423 | etot = -19.0021276076793 -278000 ekin = 2.01769954373528 | erot = 2.59890230516084 | epot = -22.5906588225137 | etot = -17.9740569736176 -279000 ekin = 2.25640040624717 | erot = 2.29091139708182 | epot = -22.6277099788414 | etot = -18.0803981755124 -280000 ekin = 3.04018837983384 | erot = 2.20649234309561 | epot = -22.6234289166475 | etot = -17.376748193718 -281000 ekin = 2.26774972276864 | erot = 2.21425432655914 | epot = -22.6813285841657 | etot = -18.1993245348379 -282000 ekin = 2.97313150959962 | erot = 2.86622182739124 | epot = -22.7015431862321 | etot = -16.8621898492412 -283000 ekin = 2.50361895288103 | erot = 3.01017153845275 | epot = -22.6838734010489 | etot = -17.1700829097151 -284000 ekin = 2.07988501520726 | erot = 2.53369538735043 | epot = -22.6244057852699 | etot = -18.0108253827122 -285000 ekin = 2.63544742669395 | erot = 2.22184957642688 | epot = -22.6299704571646 | etot = -17.7726734540438 -286000 ekin = 3.28190504383103 | erot = 2.59924342945106 | epot = -22.6685734662042 | etot = -16.7874249929221 -287000 ekin = 2.5201730496864 | erot = 2.47409649915194 | epot = -22.6647398556855 | etot = -17.6704703068471 -288000 ekin = 1.72383940997515 | erot = 2.2989067867213 | epot = -22.5898062623046 | etot = -18.5670600656082 -289000 ekin = 1.84179788109765 | erot = 2.70369316308707 | epot = -22.47181336009 | etot = -17.9263223159052 -290000 ekin = 1.6715135413566 | erot = 2.58080004878555 | epot = -22.4106998409513 | etot = -18.1583862508092 -291000 ekin = 1.5215220538295 | erot = 2.73428237886897 | epot = -22.3556298896499 | etot = -18.0998254569515 -292000 ekin = 1.80629028335816 | erot = 2.0852735260545 | epot = -22.4535418049614 | etot = -18.5619779955488 -293000 ekin = 2.15472126777205 | erot = 2.19759927977713 | epot = -22.5557303698456 | etot = -18.2034098222964 -294000 ekin = 2.56152704015233 | erot = 2.8613616067162 | epot = -22.6398911758506 | etot = -17.2170025289821 -295000 ekin = 2.371265169146 | erot = 3.38251794814698 | epot = -22.6865354227056 | etot = -16.9327523054126 -296000 ekin = 2.03365878847188 | erot = 2.18393142873388 | epot = -22.6560933682687 | etot = -18.438503151063 -297000 ekin = 2.49621501086621 | erot = 2.10112805919269 | epot = -22.7035635415212 | etot = -18.1062204714623 -298000 ekin = 2.77842269503177 | erot = 3.3772341506228 | epot = -22.7119153133845 | etot = -16.5562584677299 -299000 ekin = 2.67707880841785 | erot = 2.98874558313004 | epot = -22.7666464233606 | etot = -17.1008220318128 -300000 ekin = 2.27178796654212 | erot = 2.26073784829731 | epot = -22.7766831409595 | etot = -18.2441573261201 -301000 ekin = 2.20083021797287 | erot = 3.3890245069517 | epot = -22.7273506022536 | etot = -17.137495877329 -302000 ekin = 2.96489064574833 | erot = 2.84356412203241 | epot = -22.6697893088022 | etot = -16.8613345410215 -303000 ekin = 2.31874098268026 | erot = 2.61961335705569 | epot = -22.6493939125616 | etot = -17.7110395728257 -304000 ekin = 2.72610257159623 | erot = 3.02709946331765 | epot = -22.6952460519591 | etot = -16.9420440170453 -305000 ekin = 2.63459003021214 | erot = 1.919675076019 | epot = -22.6686095819004 | etot = -18.1143444756693 -306000 ekin = 2.27957015123362 | erot = 2.30903194024744 | epot = -22.6205242146107 | etot = -18.0319221231296 -307000 ekin = 2.59039939360351 | erot = 1.72550416449957 | epot = -22.5760437098146 | etot = -18.2601401517115 -308000 ekin = 2.25862282018141 | erot = 2.6613420500591 | epot = -22.4810009931421 | etot = -17.5610361229016 -309000 ekin = 2.58156867056613 | erot = 1.38162183672195 | epot = -22.4520281277666 | etot = -18.4888376204785 -310000 ekin = 2.30199887399085 | erot = 3.49424058278129 | epot = -22.4502933105603 | etot = -16.6540538537882 -311000 ekin = 1.92151496683435 | erot = 3.702621790492 | epot = -22.3972021294092 | etot = -16.7730653720828 -312000 ekin = 1.83005087613798 | erot = 2.19341081660898 | epot = -22.3720470055312 | etot = -18.3485853127842 -313000 ekin = 1.92489041812718 | erot = 1.83277045127814 | epot = -22.490802859931 | etot = -18.7331419905256 -314000 ekin = 2.09288582482849 | erot = 3.1959722998652 | epot = -22.4338118394254 | etot = -17.1449537147317 -315000 ekin = 2.16369102652801 | erot = 2.93597548628521 | epot = -22.4469736533496 | etot = -17.3473071405364 -316000 ekin = 2.09245693384264 | erot = 1.807558537396 | epot = -22.3690695710527 | etot = -18.4690540998141 -317000 ekin = 2.36588943769063 | erot = 1.70568184689724 | epot = -22.3496046632177 | etot = -18.2780333786298 -318000 ekin = 1.83301083634324 | erot = 3.09521659572646 | epot = -22.3586080730087 | etot = -17.430380640939 -319000 ekin = 1.55798533508654 | erot = 2.374400525685 | epot = -22.3769508910799 | etot = -18.4445650303083 -320000 ekin = 2.96087389710191 | erot = 2.89099773614827 | epot = -22.4288122697123 | etot = -16.5769406364621 -321000 ekin = 3.19179841293413 | erot = 2.37305905207938 | epot = -22.5447709145936 | etot = -16.9799134495801 -322000 ekin = 3.10570427346294 | erot = 3.34188038301289 | epot = -22.580443523357 | etot = -16.1328588668812 -323000 ekin = 2.22962685798083 | erot = 2.03306866549118 | epot = -22.5997373536669 | etot = -18.3370418301949 -324000 ekin = 2.28811378374166 | erot = 2.14190372685336 | epot = -22.5597352990857 | etot = -18.1297177884906 -325000 ekin = 2.85757123939544 | erot = 2.33537312761609 | epot = -22.5231085637202 | etot = -17.3301641967086 -326000 ekin = 2.30070347083078 | erot = 2.23549787294263 | epot = -22.5151413151487 | etot = -17.9789399713752 -327000 ekin = 3.29082503272818 | erot = 1.92556360043753 | epot = -22.5231816508473 | etot = -17.3067930176816 -328000 ekin = 2.38165298551354 | erot = 1.63346978078624 | epot = -22.5231376952434 | etot = -18.5080149289436 -329000 ekin = 3.46430064220694 | erot = 2.33095343034691 | epot = -22.4569686289904 | etot = -16.6617145564365 -330000 ekin = 3.03486739022287 | erot = 2.39278089551369 | epot = -22.3332523924126 | etot = -16.905604106676 -331000 ekin = 2.30557375971102 | erot = 2.07089271354998 | epot = -22.2503996798711 | etot = -17.8739332066101 -332000 ekin = 1.60842407147764 | erot = 3.110396890796 | epot = -22.2247256358723 | etot = -17.5059046735987 -333000 ekin = 1.87112469334644 | erot = 3.30899727462101 | epot = -22.130065759788 | etot = -16.9499437918205 -334000 ekin = 2.39344914466899 | erot = 2.11606499087986 | epot = -22.052515122119 | etot = -17.5430009865702 -335000 ekin = 2.58946334556546 | erot = 2.68851920162594 | epot = -21.971164793944 | etot = -16.6931822467526 -336000 ekin = 2.41988877667505 | erot = 2.41525912575628 | epot = -21.8441556082519 | etot = -17.0090077058205 -337000 ekin = 2.33064340197969 | erot = 2.60509084649572 | epot = -21.8962678452425 | etot = -16.9605335967671 -338000 ekin = 1.96206714975463 | erot = 1.65377379268676 | epot = -21.8484931449949 | etot = -18.2326522025535 -339000 ekin = 1.55631939970369 | erot = 2.24373622444027 | epot = -21.8253755182891 | etot = -18.0253198941451 -340000 ekin = 2.70749090548453 | erot = 2.95739933680002 | epot = -21.8243135462175 | etot = -16.1594233039329 -341000 ekin = 2.44634541815133 | erot = 1.84695948440237 | epot = -21.9282158516816 | etot = -17.6349109491279 -342000 ekin = 2.51784295345496 | erot = 2.73626675676614 | epot = -21.9579426326808 | etot = -16.7038329224596 -343000 ekin = 3.41670961674692 | erot = 2.43111012770705 | epot = -21.9935092107186 | etot = -16.1456894662647 -344000 ekin = 2.58780800263767 | erot = 1.6930389050268 | epot = -22.0715354699269 | etot = -17.7906885622624 -345000 ekin = 2.57576456033189 | erot = 1.99487459437559 | epot = -22.1796629942929 | etot = -17.6090238395854 -346000 ekin = 2.40404980880465 | erot = 2.31288728866961 | epot = -22.1855258065435 | etot = -17.4685887090693 -347000 ekin = 2.28146784424865 | erot = 2.74513531512625 | epot = -22.2205619484594 | etot = -17.1939587890845 -348000 ekin = 2.26319568262242 | erot = 2.43454354691427 | epot = -22.2148038230762 | etot = -17.5170645935395 -349000 ekin = 1.98764147715107 | erot = 2.21856918820044 | epot = -22.2333110495202 | etot = -18.0271003841687 -350000 ekin = 2.08440088155067 | erot = 2.55841250738978 | epot = -22.2541078972618 | etot = -17.6112945083214 -351000 ekin = 2.38201758452314 | erot = 2.17974220056875 | epot = -22.2647718284383 | etot = -17.7030120433464 -352000 ekin = 2.75130853950625 | erot = 2.25801401818502 | epot = -22.2226031541769 | etot = -17.2132805964856 -353000 ekin = 2.39316894458245 | erot = 1.9622692189896 | epot = -22.1905585968626 | etot = -17.8351204332906 -354000 ekin = 2.60613964367264 | erot = 2.45699958173639 | epot = -22.0741463551659 | etot = -17.0110071297569 -355000 ekin = 1.80064206533144 | erot = 2.59773518186197 | epot = -22.011221342413 | etot = -17.6128440952196 -356000 ekin = 2.37699640398752 | erot = 3.09710102021834 | epot = -22.0299491911754 | etot = -16.5558517669695 -357000 ekin = 2.50986884955702 | erot = 1.91180399130884 | epot = -22.0481853325197 | etot = -17.6265124916538 -358000 ekin = 2.12558610604631 | erot = 2.6479682554889 | epot = -21.9447638703624 | etot = -17.1712095088272 -359000 ekin = 2.22688919900624 | erot = 2.23931556284384 | epot = -21.8085491928632 | etot = -17.3423444310132 -360000 ekin = 3.13527943466207 | erot = 2.8147567946821 | epot = -21.7902147579702 | etot = -15.840178528626 -361000 ekin = 2.71487331879396 | erot = 2.8877144694031 | epot = -21.8322461119152 | etot = -16.2296583237181 -362000 ekin = 2.515817675735 | erot = 3.0246147355251 | epot = -21.8359960107676 | etot = -16.2955635995075 -363000 ekin = 2.70354655291949 | erot = 2.04948095390169 | epot = -21.8699556802982 | etot = -17.116928173477 -364000 ekin = 2.34554467024059 | erot = 1.36382458642029 | epot = -21.9151567775916 | etot = -18.2057875209307 -365000 ekin = 2.00291957865484 | erot = 2.38153585819252 | epot = -21.8681661882236 | etot = -17.4837107513762 -366000 ekin = 2.16416218280056 | erot = 2.11489166860241 | epot = -21.7862692661643 | etot = -17.5072154147613 -367000 ekin = 2.90642004514044 | erot = 2.66688606213217 | epot = -21.7352532339732 | etot = -16.1619471267006 -368000 ekin = 2.23185601684558 | erot = 2.34205881571908 | epot = -21.7124134746584 | etot = -17.1384986420937 -369000 ekin = 2.15521118053823 | erot = 2.93659164111176 | epot = -21.6437028615637 | etot = -16.5519000399137 -370000 ekin = 2.4198441869984 | erot = 1.73242712802795 | epot = -21.6676625868509 | etot = -17.5153912718245 -371000 ekin = 2.30492028429812 | erot = 2.61127763357756 | epot = -21.6509011744132 | etot = -16.7347032565375 -372000 ekin = 2.96963579911545 | erot = 1.88141866012236 | epot = -21.6391346229962 | etot = -16.7880801637584 -373000 ekin = 3.14075275331208 | erot = 2.93731686024779 | epot = -21.6868881994144 | etot = -15.6088185858545 -374000 ekin = 3.04463795536237 | erot = 3.14447085467475 | epot = -21.7931849017047 | etot = -15.6040760916676 -375000 ekin = 2.39986353169888 | erot = 2.66264703557189 | epot = -21.7551227714398 | etot = -16.692612204169 -376000 ekin = 2.55064647974443 | erot = 2.67473669587464 | epot = -21.696903880931 | etot = -16.4715207053119 -377000 ekin = 2.8852049591096 | erot = 2.18098614239663 | epot = -21.6952272659367 | etot = -16.6290361644304 -378000 ekin = 2.45289138323383 | erot = 2.10679058068883 | epot = -21.7288468051836 | etot = -17.1691648412609 -379000 ekin = 2.53609345690701 | erot = 1.90940679695127 | epot = -21.7506211345922 | etot = -17.3051208807339 -380000 ekin = 2.72283735812631 | erot = 3.24838500978278 | epot = -21.7463635962089 | etot = -15.7751412282998 -381000 ekin = 2.45462865405655 | erot = 2.38504307590766 | epot = -21.7562222022035 | etot = -16.9165504722393 -382000 ekin = 1.80283057853964 | erot = 2.1374935723038 | epot = -21.6701942835523 | etot = -17.7298701327088 -383000 ekin = 1.73467369524417 | erot = 2.3108192426649 | epot = -21.6923619844203 | etot = -17.6468690465113 -384000 ekin = 1.9342846276238 | erot = 2.70905668846398 | epot = -21.7127338523707 | etot = -17.0693925362829 -385000 ekin = 1.68998612656995 | erot = 1.64115683316309 | epot = -21.7718687316805 | etot = -18.4407257719475 -386000 ekin = 1.78400139488241 | erot = 1.74778393778735 | epot = -21.836680877067 | etot = -18.3048955443972 -387000 ekin = 2.07818501197508 | erot = 2.07807279268733 | epot = -21.832055454303 | etot = -17.6757976496406 -388000 ekin = 1.66290950060047 | erot = 2.60797351732765 | epot = -21.8118307069785 | etot = -17.5409476890504 -389000 ekin = 2.21198900204585 | erot = 2.23421390729077 | epot = -21.7427524360538 | etot = -17.2965495267171 -390000 ekin = 1.66652818866883 | erot = 2.31347723913494 | epot = -21.7301442799172 | etot = -17.7501388521135 -391000 ekin = 1.8533948354001 | erot = 3.3132884098265 | epot = -21.8115260458304 | etot = -16.6448428006038 -392000 ekin = 1.58742216104324 | erot = 2.82110846571971 | epot = -21.8293545192998 | etot = -17.4208238925368 -393000 ekin = 2.11722620613808 | erot = 2.34344765418119 | epot = -21.8696915886196 | etot = -17.4090177283003 -394000 ekin = 1.75812741619619 | erot = 2.82419425154452 | epot = -21.8924899919106 | etot = -17.3101683241699 -395000 ekin = 1.65095705493153 | erot = 2.81412301374871 | epot = -21.9536401970573 | etot = -17.488560128377 -396000 ekin = 1.73767503056944 | erot = 2.21765951200349 | epot = -22.1029546817349 | etot = -18.147620139162 -397000 ekin = 1.77674477730128 | erot = 2.32452598687485 | epot = -22.2130001775225 | etot = -18.1117294133464 -398000 ekin = 2.65895177503898 | erot = 2.95633927860974 | epot = -22.2752931466756 | etot = -16.6600020930269 -399000 ekin = 2.03803363665377 | erot = 2.12344232072307 | epot = -22.2652656821057 | etot = -18.1037897247289 -400000 ekin = 2.04555714339347 | erot = 2.27233839044242 | epot = -22.3051350135305 | etot = -17.9872394796946 -401000 ekin = 2.15872349230843 | erot = 2.50519181279082 | epot = -22.3726160012138 | etot = -17.7087006961145 -402000 ekin = 2.37736861330784 | erot = 2.3210196208099 | epot = -22.4002021740759 | etot = -17.7018139399582 -403000 ekin = 2.46021709434135 | erot = 1.94696118347469 | epot = -22.4595514414876 | etot = -18.0523731636716 -404000 ekin = 2.77045691339541 | erot = 2.38769700494278 | epot = -22.6029152684925 | etot = -17.4447613501544 -405000 ekin = 2.3136465567458 | erot = 2.23279102592819 | epot = -22.704170194226 | etot = -18.1577326115521 -406000 ekin = 2.41170890033499 | erot = 2.77109231953927 | epot = -22.779806571174 | etot = -17.5970053512998 -407000 ekin = 2.35942219707683 | erot = 2.74328193450569 | epot = -22.836396275899 | etot = -17.7336921443165 -408000 ekin = 3.24790924688638 | erot = 1.7391244014667 | epot = -22.7651095148446 | etot = -17.7780758664915 -409000 ekin = 2.24830289645136 | erot = 2.34265544739425 | epot = -22.6995454603056 | etot = -18.1085871164599 -410000 ekin = 1.78296326417356 | erot = 2.10343999475669 | epot = -22.7273761758661 | etot = -18.8409729169359 -411000 ekin = 2.40205079722836 | erot = 2.79371172655516 | epot = -22.7437086077248 | etot = -17.5479460839413 -412000 ekin = 2.4827447274903 | erot = 2.66642432537184 | epot = -22.7490438870461 | etot = -17.5998748341839 -413000 ekin = 2.75975825991147 | erot = 1.99252624136793 | epot = -22.7296409338909 | etot = -17.9773564326115 -414000 ekin = 2.46171754591312 | erot = 1.56532549126561 | epot = -22.7020089470024 | etot = -18.6749659098237 -415000 ekin = 2.9412491128766 | erot = 2.93447949050541 | epot = -22.7167297662641 | etot = -16.8410011628821 -416000 ekin = 2.451529226545 | erot = 2.93177240269518 | epot = -22.679285885952 | etot = -17.2959842567118 -417000 ekin = 2.02304677035706 | erot = 2.34845196496212 | epot = -22.6359674216736 | etot = -18.2644686863544 -418000 ekin = 2.27202933065743 | erot = 2.78253971259171 | epot = -22.5709417374616 | etot = -17.5163726942125 -419000 ekin = 3.11399834748007 | erot = 1.5069444804289 | epot = -22.5346711742036 | etot = -17.9137283462946 -420000 ekin = 2.43157626989745 | erot = 2.33553639635962 | epot = -22.5241645646513 | etot = -17.7570518983943 -421000 ekin = 2.52273757815056 | erot = 1.68036667639443 | epot = -22.523670591424 | etot = -18.320566336879 -422000 ekin = 2.28707428015146 | erot = 1.95211017937543 | epot = -22.4864987695302 | etot = -18.2473143100033 -423000 ekin = 2.77128027363906 | erot = 1.83509225830907 | epot = -22.4676364752475 | etot = -17.8612639432993 -424000 ekin = 2.61658126968941 | erot = 1.92044025854228 | epot = -22.5053529183204 | etot = -17.9683313900887 -425000 ekin = 2.25690716213737 | erot = 2.3485630523016 | epot = -22.5471810198293 | etot = -17.9417108053903 -426000 ekin = 2.5401911697216 | erot = 1.58168199076436 | epot = -22.599451551521 | etot = -18.4775783910351 -427000 ekin = 2.61776589335417 | erot = 2.3289376640184 | epot = -22.673196553825 | etot = -17.7264929964524 -428000 ekin = 2.11718463198403 | erot = 3.04652352541351 | epot = -22.7510529806942 | etot = -17.5873448232966 -429000 ekin = 1.69509699892837 | erot = 2.32755685540312 | epot = -22.7391772285581 | etot = -18.7165233742266 -430000 ekin = 2.21470975507857 | erot = 2.51273009568295 | epot = -22.6682263206376 | etot = -17.9407864698761 -431000 ekin = 2.94401624259271 | erot = 2.52065679136838 | epot = -22.6769821981683 | etot = -17.2123091642072 -432000 ekin = 2.86039016721639 | erot = 2.10092531726113 | epot = -22.6856922787856 | etot = -17.7243767943081 -433000 ekin = 2.38577772852308 | erot = 1.92242037772747 | epot = -22.7525956133752 | etot = -18.4443975071246 -434000 ekin = 2.38240431006896 | erot = 2.10745905578944 | epot = -22.7586540042292 | etot = -18.2687906383708 -435000 ekin = 2.12286955240469 | erot = 2.34000354159217 | epot = -22.6319118730511 | etot = -18.1690387790542 -436000 ekin = 2.67385800386604 | erot = 2.59460579166868 | epot = -22.6404996973321 | etot = -17.3720359017973 -437000 ekin = 1.75959740929828 | erot = 2.43720192360986 | epot = -22.7030079938494 | etot = -18.5062086609412 -438000 ekin = 1.75120908430786 | erot = 2.28124118651858 | epot = -22.749190610227 | etot = -18.7167403394005 -439000 ekin = 1.75073242294502 | erot = 2.03624763446663 | epot = -22.7489457185962 | etot = -18.9619656611846 -440000 ekin = 2.07721967183055 | erot = 2.85858063288596 | epot = -22.8109744065491 | etot = -17.8751741018326 -441000 ekin = 1.60202985220682 | erot = 2.85100314352584 | epot = -22.7745689858311 | etot = -18.3215359900984 -442000 ekin = 2.27654314397087 | erot = 3.22274835717702 | epot = -22.7446035204748 | etot = -17.2453120193269 -443000 ekin = 1.93733014307339 | erot = 1.57432763299075 | epot = -22.7272800276947 | etot = -19.2156222516305 -444000 ekin = 1.75731366949631 | erot = 2.25504170254907 | epot = -22.6435278528204 | etot = -18.631172480775 -445000 ekin = 2.09887119167798 | erot = 2.26627204333156 | epot = -22.5193278168198 | etot = -18.1541845818103 -446000 ekin = 2.16625669770322 | erot = 2.62168464822181 | epot = -22.4290479239373 | etot = -17.6411065780122 -447000 ekin = 2.19819598279476 | erot = 2.11162819084596 | epot = -22.3774620810792 | etot = -18.0676379074385 -448000 ekin = 1.7755208645772 | erot = 1.64284712827749 | epot = -22.3894548684582 | etot = -18.9710868756035 -449000 ekin = 2.29637528825017 | erot = 1.5286287774847 | epot = -22.4548388263691 | etot = -18.6298347606342 -450000 ekin = 2.55872726173568 | erot = 1.95244709295837 | epot = -22.4761389570735 | etot = -17.9649646023794 -451000 ekin = 1.93483929977221 | erot = 1.57730203053738 | epot = -22.4721871402484 | etot = -18.9600458099388 -452000 ekin = 1.71591960523824 | erot = 4.15592526681975 | epot = -22.3869204664751 | etot = -16.5150755944171 -453000 ekin = 2.05784261741687 | erot = 2.49754472957529 | epot = -22.4247246256638 | etot = -17.8693372786717 -454000 ekin = 2.37473664452537 | erot = 3.37363200196795 | epot = -22.496641743959 | etot = -16.7482730974657 -455000 ekin = 1.73966540098562 | erot = 3.16990427576242 | epot = -22.3919175950499 | etot = -17.4823479183019 -456000 ekin = 2.41686819433944 | erot = 2.61137211811606 | epot = -22.3203430517439 | etot = -17.2921027392884 -457000 ekin = 2.87348571875052 | erot = 2.67840099268897 | epot = -22.3129445692579 | etot = -16.7610578578184 -458000 ekin = 1.89437239565888 | erot = 2.55463878014183 | epot = -22.4202394049443 | etot = -17.9712282291436 -459000 ekin = 1.87572781245208 | erot = 2.52613531614619 | epot = -22.4249057850463 | etot = -18.023042656448 -460000 ekin = 2.04813188453058 | erot = 2.20089271831971 | epot = -22.4011710022067 | etot = -18.1521463993564 -461000 ekin = 1.47247960021922 | erot = 1.40768398836064 | epot = -22.3586363246324 | etot = -19.4784727360526 -462000 ekin = 1.38503831902219 | erot = 2.34595020862052 | epot = -22.4837409423011 | etot = -18.7527524146584 -463000 ekin = 2.00645645258759 | erot = 1.18165989843029 | epot = -22.4806738518605 | etot = -19.2925575008426 -464000 ekin = 2.08237091480074 | erot = 3.07220535335028 | epot = -22.4836460827449 | etot = -17.3290698145939 -465000 ekin = 2.0456215542015 | erot = 1.86890585180634 | epot = -22.5174143411392 | etot = -18.6028869351313 -466000 ekin = 2.95986717673676 | erot = 2.11178510069291 | epot = -22.6235722981753 | etot = -17.5519200207456 -467000 ekin = 2.20953809644101 | erot = 2.57273746506495 | epot = -22.7571181950953 | etot = -17.9748426335893 -468000 ekin = 1.5902871353447 | erot = 2.01907967468793 | epot = -22.7769947042451 | etot = -19.1676278942124 -469000 ekin = 1.9462052385748 | erot = 2.93750281149461 | epot = -22.7672520333545 | etot = -17.8835439832851 -470000 ekin = 3.38174970242104 | erot = 2.36622797398471 | epot = -22.8494270221486 | etot = -17.1014493457428 -471000 ekin = 2.19235331714116 | erot = 1.88537594669814 | epot = -22.9012671707407 | etot = -18.8235379069014 -472000 ekin = 2.09266734001604 | erot = 2.08181669723127 | epot = -22.9459604070355 | etot = -18.7714763697882 -473000 ekin = 2.36590705985013 | erot = 2.6708545089404 | epot = -23.0062159802477 | etot = -17.9694544114572 -474000 ekin = 2.77035694449384 | erot = 2.3027678515899 | epot = -23.0283042070227 | etot = -17.955179410939 -475000 ekin = 2.81469924529784 | erot = 1.74801606053043 | epot = -22.9818727611313 | etot = -18.419157455303 -476000 ekin = 1.6614371664979 | erot = 2.66895679342948 | epot = -22.9607497426557 | etot = -18.6303557827283 -477000 ekin = 3.4013813766128 | erot = 2.47762083745631 | epot = -22.9863526077737 | etot = -17.1073503937045 -478000 ekin = 2.64900083423483 | erot = 1.91407757255602 | epot = -22.9956967968773 | etot = -18.4326183900864 -479000 ekin = 1.60377176066656 | erot = 2.03690854636729 | epot = -22.9622351913009 | etot = -19.321554884267 -480000 ekin = 2.06361598114192 | erot = 2.38288961387606 | epot = -22.9444711012275 | etot = -18.4979655062095 -481000 ekin = 3.10420446629087 | erot = 2.4564857948581 | epot = -22.8947513649008 | etot = -17.3340611037518 -482000 ekin = 3.72901587351966 | erot = 2.08724672578547 | epot = -22.7565389886474 | etot = -16.9402763893423 -483000 ekin = 2.80051858170061 | erot = 2.88284961334901 | epot = -22.621270459186 | etot = -16.9379022641364 -484000 ekin = 2.0110409785781 | erot = 3.72169931738832 | epot = -22.5566278703519 | etot = -16.8238875743855 -485000 ekin = 1.87367667342341 | erot = 2.09747077779511 | epot = -22.5747713031699 | etot = -18.6036238519514 -486000 ekin = 2.01419066693786 | erot = 1.53376047222564 | epot = -22.6617353485008 | etot = -19.1137842093373 -487000 ekin = 2.62466310274651 | erot = 2.8154565495424 | epot = -22.7635996267058 | etot = -17.3234799744169 -488000 ekin = 2.20017113992739 | erot = 2.63952142846597 | epot = -22.7912824752716 | etot = -17.9515899068783 -489000 ekin = 2.48973425231097 | erot = 1.93887082378345 | epot = -22.7821173566376 | etot = -18.3535122805431 -490000 ekin = 2.82031383172613 | erot = 2.1152704692751 | epot = -22.7439109707737 | etot = -17.8083266697725 -491000 ekin = 2.67150067218103 | erot = 2.60674263371376 | epot = -22.6902612982561 | etot = -17.4120179923614 -492000 ekin = 3.35859725231851 | erot = 2.09917303380754 | epot = -22.6792026914912 | etot = -17.2214324053652 -493000 ekin = 2.92706185972913 | erot = 2.61206418345318 | epot = -22.555890100553 | etot = -17.0167640573707 -494000 ekin = 3.40592557500485 | erot = 2.00651000685379 | epot = -22.4449277885912 | etot = -17.0324922067326 -495000 ekin = 2.82913240855034 | erot = 2.68876281432575 | epot = -22.3431571155508 | etot = -16.8252618926747 -496000 ekin = 2.68873100783268 | erot = 2.65459610018584 | epot = -22.3530288226937 | etot = -17.0097017146752 -497000 ekin = 2.15916102256083 | erot = 2.58178912964776 | epot = -22.3187762548927 | etot = -17.5778261026842 -498000 ekin = 2.1250851017953 | erot = 2.58172095004275 | epot = -22.2888001544895 | etot = -17.5819941026515 -499000 ekin = 2.34130861420783 | erot = 2.33488363451604 | epot = -22.3011081875454 | etot = -17.6249159388215 -500000 ekin = 2.85749511684744 | erot = 1.82527244658259 | epot = -22.3853764151975 | etot = -17.7026088517675 -501000 ekin = 2.41179591621454 | erot = 2.07214655971995 | epot = -22.4198306535951 | etot = -17.9358881776606 -502000 ekin = 2.0580038376515 | erot = 3.03025922314732 | epot = -22.4588141208809 | etot = -17.3705510600821 -503000 ekin = 2.24464497631497 | erot = 2.99486525785898 | epot = -22.4506192513903 | etot = -17.2111090172163 -504000 ekin = 1.80022602455725 | erot = 2.4742601796155 | epot = -22.4453216224399 | etot = -18.1708354182671 -505000 ekin = 2.44409230742744 | erot = 2.02809748474755 | epot = -22.50771443196 | etot = -18.035524639785 -506000 ekin = 2.53466734821408 | erot = 1.74485074876353 | epot = -22.5311895285302 | etot = -18.2516714315526 -507000 ekin = 3.23096993979711 | erot = 2.12667588504341 | epot = -22.5272680080029 | etot = -17.1696221831624 -508000 ekin = 2.87809924914958 | erot = 2.23647435070733 | epot = -22.5735852765105 | etot = -17.4590116766536 -509000 ekin = 3.09666803691483 | erot = 2.01344817227328 | epot = -22.5531322135987 | etot = -17.4430160044106 -510000 ekin = 2.89347551190587 | erot = 1.87907637088166 | epot = -22.5722142851241 | etot = -17.7996624023365 -511000 ekin = 2.89557048228876 | erot = 2.26727517274045 | epot = -22.6021965971202 | etot = -17.439350942091 -512000 ekin = 1.80499322219008 | erot = 2.06104103685542 | epot = -22.5082384805065 | etot = -18.642204221461 -513000 ekin = 1.86582605008159 | erot = 1.80881245799596 | epot = -22.4818731450098 | etot = -18.8072346369322 -514000 ekin = 1.66893021142187 | erot = 2.76856699398954 | epot = -22.5144633272087 | etot = -18.0769661217973 -515000 ekin = 2.16870417972369 | erot = 2.03793643176127 | epot = -22.5725374419723 | etot = -18.3658968304873 -516000 ekin = 1.95862575209641 | erot = 3.55790203033117 | epot = -22.5675974691126 | etot = -17.051069686685 -517000 ekin = 2.10116190921287 | erot = 1.8703746684216 | epot = -22.5643410282357 | etot = -18.5928044506012 -518000 ekin = 2.35762114087238 | erot = 2.34678356890067 | epot = -22.5789498872261 | etot = -17.874545177453 -519000 ekin = 1.4965579156146 | erot = 1.37620919030064 | epot = -22.5775405953339 | etot = -19.7047734894186 -520000 ekin = 2.20583131350858 | erot = 2.06518236580453 | epot = -22.6051420155062 | etot = -18.3341283361931 -521000 ekin = 2.11936831082606 | erot = 1.89313676730226 | epot = -22.6824826885911 | etot = -18.6699776104628 -522000 ekin = 2.43972156166519 | erot = 2.29575985894378 | epot = -22.7597964571688 | etot = -18.0243150365599 -523000 ekin = 2.47148532971583 | erot = 2.62592855606052 | epot = -22.8218100826241 | etot = -17.7243961968478 -524000 ekin = 2.83867159838233 | erot = 1.67228239212566 | epot = -22.9130691352048 | etot = -18.4021151446968 -525000 ekin = 2.33707759686424 | erot = 2.11666157542524 | epot = -22.9343168153401 | etot = -18.4805776430506 -526000 ekin = 2.78556314383173 | erot = 2.12502967301725 | epot = -22.9632272664466 | etot = -18.0526344495976 -527000 ekin = 2.67476397366556 | erot = 2.10678170752056 | epot = -23.0109160127258 | etot = -18.2293703315396 -528000 ekin = 3.11020438334646 | erot = 2.16717572821384 | epot = -23.0743097715177 | etot = -17.7969296599574 -529000 ekin = 1.90071372306354 | erot = 2.29269386063507 | epot = -23.0742513713216 | etot = -18.880843787623 -530000 ekin = 2.54935777739561 | erot = 3.44632009130416 | epot = -22.9815707708391 | etot = -16.9858929021393 -531000 ekin = 1.98646544552742 | erot = 1.84284731266331 | epot = -22.8840867927685 | etot = -19.0547740345778 -532000 ekin = 2.34497208518389 | erot = 2.20242825249901 | epot = -22.958017128877 | etot = -18.4106167911941 -533000 ekin = 2.04465189646124 | erot = 2.5988852213048 | epot = -23.0954673727488 | etot = -18.4519302549827 -534000 ekin = 2.18099982404014 | erot = 2.24509264512596 | epot = -23.1672915876949 | etot = -18.7411991185288 -535000 ekin = 2.46459047030509 | erot = 2.52567370572274 | epot = -23.2601041392818 | etot = -18.269839963254 -536000 ekin = 2.40944341542506 | erot = 3.07014221153817 | epot = -23.3294178896885 | etot = -17.8498322627253 -537000 ekin = 1.46836063591622 | erot = 3.04877831235775 | epot = -23.3582488035726 | etot = -18.8411098552986 -538000 ekin = 2.2322723564918 | erot = 1.93698675675114 | epot = -23.3840280699676 | etot = -19.2147689567247 -539000 ekin = 2.65850305482382 | erot = 1.70915364045623 | epot = -23.4835953822242 | etot = -19.1159386869442 -540000 ekin = 2.15389248554489 | erot = 1.94073382714967 | epot = -23.5227953658549 | etot = -19.4281690531603 -541000 ekin = 2.67641186082159 | erot = 2.24709344305834 | epot = -23.5427111580002 | etot = -18.6192058541203 -542000 ekin = 2.10429644506714 | erot = 2.41109271626466 | epot = -23.504268251071 | etot = -18.9888790897392 -543000 ekin = 1.88696147522521 | erot = 2.545986170319 | epot = -23.4573858832303 | etot = -19.0244382376861 -544000 ekin = 2.53894413626458 | erot = 1.83894339654212 | epot = -23.447037705898 | etot = -19.0691501730913 -545000 ekin = 2.2449929565181 | erot = 3.05817804399732 | epot = -23.6401013875395 | etot = -18.3369303870241 -546000 ekin = 2.38995007911114 | erot = 1.73896404887933 | epot = -23.6250705214727 | etot = -19.4961563934822 -547000 ekin = 2.53772946939786 | erot = 3.02671406060461 | epot = -23.6172206165977 | etot = -18.0527770865952 -548000 ekin = 2.30643053883799 | erot = 2.12291748181918 | epot = -23.6947786726432 | etot = -19.265430651986 -549000 ekin = 2.50325148970644 | erot = 2.43753928660968 | epot = -23.6482202119214 | etot = -18.7074294356052 -550000 ekin = 2.07278457584903 | erot = 1.98823624738949 | epot = -23.6224210624574 | etot = -19.5614002392189 -551000 ekin = 2.20187048094412 | erot = 2.1743107800257 | epot = -23.5352962443151 | etot = -19.1591149833453 -552000 ekin = 2.138048712317 | erot = 2.28135917444489 | epot = -23.5978298104151 | etot = -19.1784219236532 -553000 ekin = 2.42650743515903 | erot = 2.89235296005631 | epot = -23.5454068695436 | etot = -18.2265464743283 -554000 ekin = 2.31243694700819 | erot = 2.73411780294884 | epot = -23.4404612498823 | etot = -18.3939064999252 -555000 ekin = 2.25631450111253 | erot = 2.70826767236547 | epot = -23.3810480325839 | etot = -18.4164658591059 -556000 ekin = 2.42187654466562 | erot = 1.81816757766949 | epot = -23.3335658342219 | etot = -19.0935217118868 -557000 ekin = 2.89583868407859 | erot = 2.59800113316269 | epot = -23.348377375344 | etot = -17.8545375581027 -558000 ekin = 2.65744373001509 | erot = 2.27566901958148 | epot = -23.229384025348 | etot = -18.2962712757514 -559000 ekin = 2.40736894715472 | erot = 3.48404550901825 | epot = -23.2950530086045 | etot = -17.4036385524315 -560000 ekin = 2.51394452480884 | erot = 2.4472528185523 | epot = -23.3548725200314 | etot = -18.3936751766703 -561000 ekin = 2.78696960734098 | erot = 2.18117562469108 | epot = -23.367099011436 | etot = -18.3989537794039 -562000 ekin = 2.60590866354869 | erot = 1.82255499079639 | epot = -23.3670125949106 | etot = -18.9385489405655 -563000 ekin = 2.69475597498162 | erot = 2.75081051570648 | epot = -23.3213805671121 | etot = -17.875814076424 -564000 ekin = 2.62204591899764 | erot = 2.49524198212383 | epot = -23.2345685046841 | etot = -18.1172806035626 -565000 ekin = 2.67044367859168 | erot = 2.01330141540311 | epot = -23.2168974338887 | etot = -18.5331523398939 -566000 ekin = 2.13856275677523 | erot = 3.1447022522953 | epot = -23.162471502403 | etot = -17.8792064933325 -567000 ekin = 2.52010093960199 | erot = 2.13254469832705 | epot = -23.1518584744761 | etot = -18.499212836547 -568000 ekin = 2.28303629721264 | erot = 2.38209001003274 | epot = -23.1558738946393 | etot = -18.4907475873939 -569000 ekin = 3.02199429959192 | erot = 2.33409896439 | epot = -23.098858714014 | etot = -17.742765450032 -570000 ekin = 2.68736138164811 | erot = 2.91449049675473 | epot = -23.0516588224656 | etot = -17.4498069440628 -571000 ekin = 2.4201706123568 | erot = 2.30930147292481 | epot = -22.9494196307347 | etot = -18.2199475454531 -572000 ekin = 1.96101491359208 | erot = 3.17564644151202 | epot = -22.9019671727356 | etot = -17.7653058176315 -573000 ekin = 1.77231254512265 | erot = 3.2959074591727 | epot = -23.0329704228571 | etot = -17.9647504185618 -574000 ekin = 2.45195460796476 | erot = 2.33093773153734 | epot = -23.1880178627738 | etot = -18.4051255232717 -575000 ekin = 2.45020502461256 | erot = 2.4698820279554 | epot = -23.1834275192561 | etot = -18.2633404666881 -576000 ekin = 2.39426958146274 | erot = 2.18334419303673 | epot = -23.165586753046 | etot = -18.5879729785466 -577000 ekin = 2.42087612822122 | erot = 2.8078297015673 | epot = -23.1889846114073 | etot = -17.9602787816187 -578000 ekin = 2.47469593268156 | erot = 2.22291754195604 | epot = -23.1822026147549 | etot = -18.4845891401173 -579000 ekin = 1.99641516200814 | erot = 3.00564689499868 | epot = -23.2220374443818 | etot = -18.219975387375 -580000 ekin = 1.80326364254896 | erot = 2.62493677026808 | epot = -23.2725597079199 | etot = -18.8443592951029 -581000 ekin = 2.54320565466448 | erot = 2.56546557497723 | epot = -23.2936203171846 | etot = -18.1849490875429 -582000 ekin = 2.7760920595553 | erot = 1.7054369481595 | epot = -23.3188805344426 | etot = -18.8373515267278 -583000 ekin = 3.13415689631058 | erot = 2.13862743264097 | epot = -23.4032331278423 | etot = -18.1304487988907 -584000 ekin = 2.79256202281284 | erot = 1.86237066580274 | epot = -23.4507356031754 | etot = -18.7958029145598 -585000 ekin = 2.40352636193977 | erot = 1.43972962791954 | epot = -23.4948475688155 | etot = -19.6515915789562 -586000 ekin = 2.08429136741348 | erot = 2.19251166266265 | epot = -23.4108290375219 | etot = -19.1340260074458 -587000 ekin = 2.94108400136396 | erot = 2.57342077096898 | epot = -23.3540972375961 | etot = -17.8395924652632 -588000 ekin = 2.72217756938907 | erot = 2.61651915812691 | epot = -23.229726324284 | etot = -17.891029596768 -589000 ekin = 2.21949422254638 | erot = 2.3311223729484 | epot = -23.150949548888 | etot = -18.6003329533932 -590000 ekin = 1.81402039776171 | erot = 2.05517606383124 | epot = -23.0478545255486 | etot = -19.1786580639557 -591000 ekin = 1.58417624910412 | erot = 2.41463211542345 | epot = -23.0177633874473 | etot = -19.0189550229197 -592000 ekin = 1.98644093041263 | erot = 1.96551923696644 | epot = -22.9894017313741 | etot = -19.037441563995 -593000 ekin = 1.88204814648092 | erot = 1.95829012430934 | epot = -22.9815982306237 | etot = -19.1412599598334 -594000 ekin = 2.81360399014313 | erot = 2.15645684811238 | epot = -22.9751895785633 | etot = -18.0051287403077 -595000 ekin = 3.09138667876659 | erot = 1.85939570103404 | epot = -22.9585503153314 | etot = -18.0077679355308 -596000 ekin = 2.88475079255431 | erot = 1.99291497545754 | epot = -22.9694795630784 | etot = -18.0918137950666 -597000 ekin = 3.56180105071194 | erot = 2.46630922350926 | epot = -22.9861357432383 | etot = -16.9580254690171 -598000 ekin = 4.25212279079266 | erot = 2.48959233670472 | epot = -23.0214618233768 | etot = -16.2797466958794 -599000 ekin = 3.7244632603479 | erot = 2.76139687839883 | epot = -23.0721196129427 | etot = -16.5862594741959 -600000 ekin = 3.46467571149548 | erot = 1.76392307266267 | epot = -23.1890443898223 | etot = -17.9604456056642 -601000 ekin = 3.0310177628253 | erot = 3.28042241831116 | epot = -23.2392242833269 | etot = -16.9277841021904 -602000 ekin = 2.23251522550048 | erot = 1.93410139388427 | epot = -23.2748311690052 | etot = -19.1082145496205 -603000 ekin = 1.52395184313396 | erot = 2.30579905635095 | epot = -23.3079770801695 | etot = -19.4782261806846 -604000 ekin = 1.80277509473345 | erot = 3.26982922397805 | epot = -23.3021805347927 | etot = -18.2295762160812 -605000 ekin = 1.69061269141421 | erot = 2.90357416013347 | epot = -23.2880125710927 | etot = -18.693825719545 -606000 ekin = 2.35348879310444 | erot = 2.05826930628853 | epot = -23.2259863126357 | etot = -18.8142282132427 -607000 ekin = 2.98750155196662 | erot = 1.93245034618772 | epot = -23.1569905313344 | etot = -18.2370386331801 -608000 ekin = 3.25247562357662 | erot = 2.87367209024389 | epot = -23.1243437665535 | etot = -16.998196052733 -609000 ekin = 2.74562851506243 | erot = 2.46957178784349 | epot = -23.1378453224525 | etot = -17.9226450195466 -610000 ekin = 3.56937899101944 | erot = 1.85394286166138 | epot = -23.1342553563961 | etot = -17.7109335037153 -611000 ekin = 3.25034255711548 | erot = 2.16992689142413 | epot = -23.0420891001313 | etot = -17.6218196515917 -612000 ekin = 2.95654106669507 | erot = 2.13931254426743 | epot = -23.0506038845264 | etot = -17.9547502735639 -613000 ekin = 3.04973095155775 | erot = 1.87979868094329 | epot = -22.9901336683938 | etot = -18.0606040358928 -614000 ekin = 3.00995775064021 | erot = 1.70679828403894 | epot = -23.0067400319172 | etot = -18.2899839972381 -615000 ekin = 2.21837740297639 | erot = 2.65601107560568 | epot = -22.9594109490335 | etot = -18.0850224704514 -616000 ekin = 1.9492997573226 | erot = 2.08809832862859 | epot = -22.9058047688739 | etot = -18.8684066829227 -617000 ekin = 2.34987504209514 | erot = 3.31816085594407 | epot = -22.8092343894311 | etot = -17.1411984913919 -618000 ekin = 2.24263426864651 | erot = 2.25720621146615 | epot = -22.8020578987413 | etot = -18.3022174186286 -619000 ekin = 1.97180881105029 | erot = 2.07875245552439 | epot = -22.7569606401772 | etot = -18.7063993736025 -620000 ekin = 2.39044144530086 | erot = 2.89229500628476 | epot = -22.7088725220114 | etot = -17.4261360704257 -621000 ekin = 2.15150678521736 | erot = 2.30775677443908 | epot = -22.643940119738 | etot = -18.1846765600816 -622000 ekin = 2.0028430350823 | erot = 2.78278646933244 | epot = -22.600112912221 | etot = -17.8144834078063 -623000 ekin = 2.19528283622071 | erot = 2.14002571477316 | epot = -22.666620119306 | etot = -18.3313115683121 -624000 ekin = 2.82040068944897 | erot = 2.57349826686042 | epot = -22.7167317153813 | etot = -17.3228327590719 -625000 ekin = 2.98627918034148 | erot = 1.57679569211939 | epot = -22.7237278324305 | etot = -18.1606529599696 -626000 ekin = 2.37348083921872 | erot = 1.88550722657484 | epot = -22.7032586894344 | etot = -18.4442706236409 -627000 ekin = 2.35195177608881 | erot = 2.01446777503463 | epot = -22.7112770388174 | etot = -18.344857487694 -628000 ekin = 2.50881254425373 | erot = 1.56688558879362 | epot = -22.6405205013867 | etot = -18.5648223683393 -629000 ekin = 2.58514893297873 | erot = 1.70970168729388 | epot = -22.5610370580219 | etot = -18.2661864377493 -630000 ekin = 2.78720199311866 | erot = 2.91114841200295 | epot = -22.4713018556232 | etot = -16.7729514505016 -631000 ekin = 2.4617589215552 | erot = 2.66187466993095 | epot = -22.4061953621981 | etot = -17.282561770712 -632000 ekin = 2.67568812509024 | erot = 2.67916251422212 | epot = -22.3286212206811 | etot = -16.9737705813688 -633000 ekin = 2.42046368116991 | erot = 2.0959495936055 | epot = -22.2764051897282 | etot = -17.7599919149528 -634000 ekin = 2.1766138388507 | erot = 1.75221904598353 | epot = -22.2464672562848 | etot = -18.3176343714506 -635000 ekin = 2.1303374537182 | erot = 2.11558346598702 | epot = -22.1559890122107 | etot = -17.9100680925054 -636000 ekin = 2.03262388834245 | erot = 1.68380166560562 | epot = -22.2457935658938 | etot = -18.5293680119458 -637000 ekin = 2.39791285236697 | erot = 2.55917753311606 | epot = -22.4447998775231 | etot = -17.4877094920401 -638000 ekin = 2.15469983815169 | erot = 3.28400540345815 | epot = -22.4075976338996 | etot = -16.9688923922898 -639000 ekin = 1.81811684885083 | erot = 2.75659290480155 | epot = -22.3748011521987 | etot = -17.8000913985464 -640000 ekin = 1.99907387989529 | erot = 2.08952122746439 | epot = -22.3717813517436 | etot = -18.283186244384 -641000 ekin = 2.66328164143483 | erot = 3.02619691580941 | epot = -22.2647370196577 | etot = -16.5752584624134 -642000 ekin = 2.88967061145595 | erot = 2.59057169345598 | epot = -22.23475748516 | etot = -16.7545151802481 -643000 ekin = 2.79246415244629 | erot = 2.87517098573249 | epot = -22.2468989126934 | etot = -16.5792637745146 -644000 ekin = 2.27988542188579 | erot = 3.04855388745644 | epot = -22.2349136242582 | etot = -16.906474314916 -645000 ekin = 3.01613981708155 | erot = 2.4967822399052 | epot = -22.3345075492296 | etot = -16.8215854922429 -646000 ekin = 2.21704249586791 | erot = 2.60354951531734 | epot = -22.2671914610386 | etot = -17.4465994498533 -647000 ekin = 2.37597087431337 | erot = 2.09971950840957 | epot = -22.4060809913804 | etot = -17.9303906086575 -648000 ekin = 2.4714436262309 | erot = 2.63569146556463 | epot = -22.423642714225 | etot = -17.3165076224295 -649000 ekin = 2.53468077746691 | erot = 2.34586903824308 | epot = -22.358445267116 | etot = -17.477895451406 -650000 ekin = 2.9010220783452 | erot = 2.43748900585602 | epot = -22.235082780767 | etot = -16.8965716965658 -651000 ekin = 2.43937394370796 | erot = 2.32097040047332 | epot = -22.1007717206118 | etot = -17.3404273764305 -652000 ekin = 3.22983264752039 | erot = 1.97644426162264 | epot = -22.1139672910572 | etot = -16.9076903819141 -653000 ekin = 3.42414251849354 | erot = 2.79487810087101 | epot = -22.1558408334809 | etot = -15.9368202141163 -654000 ekin = 2.15889671735112 | erot = 2.36472973550593 | epot = -22.1974951138068 | etot = -17.6738686609497 -655000 ekin = 2.65852679982884 | erot = 1.70572386028398 | epot = -22.2627111956629 | etot = -17.8984605355501 -656000 ekin = 2.48541797006401 | erot = 2.06347531107756 | epot = -22.3150691564122 | etot = -17.7661758752707 -657000 ekin = 2.69778549496517 | erot = 2.20386261244986 | epot = -22.4300467083325 | etot = -17.5283986009175 -658000 ekin = 2.77197513377729 | erot = 2.5072948475956 | epot = -22.5474407814621 | etot = -17.2681708000892 -659000 ekin = 3.66874079211363 | erot = 2.11838086144899 | epot = -22.5519111820512 | etot = -16.7647895284886 -660000 ekin = 2.97388996619018 | erot = 2.92112069101806 | epot = -22.6187600322739 | etot = -16.7237493750657 -661000 ekin = 2.78763059394641 | erot = 2.30401970578286 | epot = -22.7111345560961 | etot = -17.6194842563668 -662000 ekin = 2.98299477151657 | erot = 1.34778890968014 | epot = -22.712605002436 | etot = -18.3818213212393 -663000 ekin = 2.06206406341935 | erot = 2.49091694129999 | epot = -22.6743419399864 | etot = -18.121360935267 -664000 ekin = 1.46165423849889 | erot = 1.88506472859125 | epot = -22.7282890093398 | etot = -19.3815700422497 -665000 ekin = 1.35273695073317 | erot = 2.42195808060362 | epot = -22.7162067017985 | etot = -18.9415116704617 -666000 ekin = 1.89921915483213 | erot = 1.88531092594892 | epot = -22.7370741866503 | etot = -18.9525441058693 -667000 ekin = 2.90243379314502 | erot = 1.97614154053879 | epot = -22.7577380902139 | etot = -17.8791627565301 -668000 ekin = 2.88439733908879 | erot = 3.01316244247058 | epot = -22.6944666694957 | etot = -16.7969068879363 -669000 ekin = 2.54687231970458 | erot = 2.87359405758465 | epot = -22.6569831183116 | etot = -17.2365167410224 -670000 ekin = 2.21301768070541 | erot = 2.27765188013648 | epot = -22.6308484396801 | etot = -18.1401788788382 -671000 ekin = 2.58683275746298 | erot = 2.41409834599394 | epot = -22.7246788592801 | etot = -17.7237477558232 -672000 ekin = 3.29079177090022 | erot = 1.91261376234837 | epot = -22.8001667297379 | etot = -17.5967611964893 -673000 ekin = 2.84673402140676 | erot = 3.00764974897873 | epot = -22.7284025915001 | etot = -16.8740188211146 -674000 ekin = 2.42053568766569 | erot = 2.26590883890938 | epot = -22.6284483786375 | etot = -17.9420038520624 -675000 ekin = 1.96378820155452 | erot = 2.06502777032928 | epot = -22.51415650415 | etot = -18.4853405322662 -676000 ekin = 2.37987332690053 | erot = 1.93897030281589 | epot = -22.4622738554879 | etot = -18.1434302257714 -677000 ekin = 2.62785237684978 | erot = 2.04858248933864 | epot = -22.4668107703719 | etot = -17.7903759041835 -678000 ekin = 2.06360362245241 | erot = 2.31478537085112 | epot = -22.4535526716361 | etot = -18.0751636783326 -679000 ekin = 2.29534664965827 | erot = 3.11695224810765 | epot = -22.5315135213968 | etot = -17.1192146236308 -680000 ekin = 2.77369826886665 | erot = 2.79006418020504 | epot = -22.5458781878731 | etot = -16.9821157388014 -681000 ekin = 2.53921147867385 | erot = 2.45485065209125 | epot = -22.6209291892887 | etot = -17.6268670585236 -682000 ekin = 2.49239283345666 | erot = 2.17277195118013 | epot = -22.5585253944368 | etot = -17.8933606098 -683000 ekin = 2.31649836542777 | erot = 1.55870522096413 | epot = -22.4825872818582 | etot = -18.6073836954663 -684000 ekin = 3.16310193002238 | erot = 2.41685736208791 | epot = -22.523230555191 | etot = -16.9432712630807 -685000 ekin = 3.45688595061428 | erot = 1.65797437511731 | epot = -22.5532406426393 | etot = -17.4383803169077 -686000 ekin = 3.07151502570858 | erot = 2.40426982374968 | epot = -22.5000639933867 | etot = -17.0242791439284 -687000 ekin = 2.88949352966058 | erot = 2.7238056050836 | epot = -22.3550217707533 | etot = -16.7417226360091 -688000 ekin = 1.80054884787415 | erot = 2.30103168557514 | epot = -22.2966882319421 | etot = -18.1951076984928 -689000 ekin = 2.64615904696514 | erot = 2.02804270215569 | epot = -22.2971499666841 | etot = -17.6229482175633 -690000 ekin = 2.74509582020304 | erot = 2.21308151884789 | epot = -22.2232873685679 | etot = -17.2651100295169 -691000 ekin = 3.22973625495416 | erot = 1.79659776362201 | epot = -22.1738233446911 | etot = -17.1474893261149 -692000 ekin = 3.29006251848601 | erot = 2.65455993734058 | epot = -22.1381299825657 | etot = -16.1935075267391 -693000 ekin = 3.00782385068016 | erot = 1.87988611083812 | epot = -22.0870866906686 | etot = -17.1993767291503 -694000 ekin = 2.75349969517394 | erot = 1.96196264346628 | epot = -22.0466569559902 | etot = -17.33119461735 -695000 ekin = 2.74843837441231 | erot = 2.04242579206469 | epot = -22.0120255611129 | etot = -17.2211613946359 -696000 ekin = 2.61118397057101 | erot = 2.51560421142858 | epot = -22.0291666802225 | etot = -16.9023784982229 -697000 ekin = 2.04895161009847 | erot = 2.41377542161681 | epot = -22.0475575829813 | etot = -17.5848305512661 -698000 ekin = 2.33205499894114 | erot = 1.26426607996476 | epot = -22.0891584682771 | etot = -18.4928373893712 -699000 ekin = 2.52365738372774 | erot = 2.88607619964718 | epot = -22.0575161973125 | etot = -16.6477826139376 -700000 ekin = 2.08703154176849 | erot = 3.31918856993651 | epot = -22.043496292523 | etot = -16.637276180818 -701000 ekin = 2.63454496534449 | erot = 1.84779300509081 | epot = -22.0766662152512 | etot = -17.5943282448159 -702000 ekin = 3.08829740869393 | erot = 1.78434998288706 | epot = -22.0748863622431 | etot = -17.2022389706621 -703000 ekin = 2.56007358655962 | erot = 2.26155500183646 | epot = -22.1026908977867 | etot = -17.2810623093906 -704000 ekin = 2.12477400999169 | erot = 2.08457952130484 | epot = -22.1230711325941 | etot = -17.9137176012976 -705000 ekin = 2.23099785424598 | erot = 2.02835190629231 | epot = -22.2359796293319 | etot = -17.9766298687936 -706000 ekin = 2.85888825530194 | erot = 2.83086143547529 | epot = -22.3500389599658 | etot = -16.6602892691886 -707000 ekin = 2.3480098030021 | erot = 2.49047973295143 | epot = -22.4420709095522 | etot = -17.6035813735987 -708000 ekin = 2.15687040039009 | erot = 1.89481927076687 | epot = -22.5427181126696 | etot = -18.4910284415126 -709000 ekin = 2.06126314379796 | erot = 2.64275166601122 | epot = -22.6917747885766 | etot = -17.9877599787674 -710000 ekin = 1.82554938445181 | erot = 2.07235995944929 | epot = -22.8201377385632 | etot = -18.9222283946621 -711000 ekin = 2.12298269627501 | erot = 1.73663135406234 | epot = -22.8023637488401 | etot = -18.9427496985027 -712000 ekin = 1.89441290644275 | erot = 1.81368671766166 | epot = -22.8122394708736 | etot = -19.1041398467692 -713000 ekin = 2.34039314906729 | erot = 2.24025735859079 | epot = -22.739230452663 | etot = -18.1585799450049 -714000 ekin = 2.23394879997726 | erot = 2.28215619335759 | epot = -22.7197007411881 | etot = -18.2035957478533 -715000 ekin = 2.57842687399601 | erot = 2.70596818962316 | epot = -22.7225303697053 | etot = -17.4381353060861 -716000 ekin = 2.777342167833 | erot = 2.9530742807956 | epot = -22.7551711123855 | etot = -17.0247546637569 -717000 ekin = 3.05821476760519 | erot = 1.70402888768233 | epot = -22.805004145031 | etot = -18.0427604897435 -718000 ekin = 2.58403702020119 | erot = 2.7276869575009 | epot = -22.8377652482164 | etot = -17.5260412705143 -719000 ekin = 4.04281043169349 | erot = 2.57288772340244 | epot = -22.765151213101 | etot = -16.1494530580051 -720000 ekin = 2.2626844436645 | erot = 2.05854032263456 | epot = -22.7210270971108 | etot = -18.3998023308117 -721000 ekin = 2.61229526180485 | erot = 1.50190620429945 | epot = -22.6872472176703 | etot = -18.573045751566 -722000 ekin = 2.12130222145933 | erot = 2.47430249425283 | epot = -22.6492037761001 | etot = -18.0535990603879 -723000 ekin = 2.34495921259014 | erot = 2.00001594177129 | epot = -22.6840132581792 | etot = -18.3390381038178 -724000 ekin = 1.60988468746473 | erot = 1.86898213056776 | epot = -22.7229141429322 | etot = -19.2440473248997 -725000 ekin = 1.98873703681155 | erot = 2.69421181813058 | epot = -22.7105382062835 | etot = -18.0275893513414 -726000 ekin = 2.00486594971194 | erot = 1.88744282533496 | epot = -22.7145995160264 | etot = -18.8222907409795 -727000 ekin = 2.36965727388931 | erot = 1.97771456567968 | epot = -22.7738359375483 | etot = -18.4264640979793 -728000 ekin = 3.35107369108538 | erot = 2.66873491563057 | epot = -22.8576831721942 | etot = -16.8378745654783 -729000 ekin = 2.78137391509267 | erot = 2.39427763566612 | epot = -22.9964454563738 | etot = -17.8207939056151 -730000 ekin = 2.94732376078577 | erot = 2.46572632898526 | epot = -23.061543959858 | etot = -17.648493870087 -731000 ekin = 2.3655947471903 | erot = 2.57962564204578 | epot = -23.1418772794081 | etot = -18.196656890172 -732000 ekin = 2.37054326957061 | erot = 2.27737906066013 | epot = -23.1533463942089 | etot = -18.5054240639782 -733000 ekin = 2.84223530802968 | erot = 2.87780967364454 | epot = -23.1651159858109 | etot = -17.4450710041367 -734000 ekin = 2.07281469390073 | erot = 2.84899684376724 | epot = -23.1266412632701 | etot = -18.2048297256022 -735000 ekin = 2.24252699011017 | erot = 2.42167788333885 | epot = -23.081639080379 | etot = -18.41743420693 -736000 ekin = 1.90429954179403 | erot = 2.00615427805272 | epot = -23.0665137080943 | etot = -19.1560598882476 -737000 ekin = 2.52358234623967 | erot = 2.96408613726945 | epot = -23.0498694785062 | etot = -17.562200994997 -738000 ekin = 2.29815228938801 | erot = 2.99337630493273 | epot = -23.0531374110373 | etot = -17.7616088167165 -739000 ekin = 2.10323839566883 | erot = 2.36218654019378 | epot = -23.1209183366636 | etot = -18.655493400801 -740000 ekin = 2.65902408892739 | erot = 2.31758820313662 | epot = -23.0239864631476 | etot = -18.0473741710836 -741000 ekin = 2.88509339134713 | erot = 1.74482801012006 | epot = -22.9368579089963 | etot = -18.3069365075291 -742000 ekin = 2.11922667941259 | erot = 1.93684947156234 | epot = -22.8269253642457 | etot = -18.7708492132708 -743000 ekin = 2.34108734337621 | erot = 2.36593738673209 | epot = -22.783708876953 | etot = -18.0766841468447 -744000 ekin = 2.01297679191398 | erot = 1.65216031512074 | epot = -22.7764820246243 | etot = -19.1113449175895 -745000 ekin = 1.73133017113515 | erot = 1.7176467257586 | epot = -22.6953133444038 | etot = -19.2463364475101 -746000 ekin = 1.93685820803391 | erot = 2.16961525795798 | epot = -22.6422856732894 | etot = -18.5358122072975 -747000 ekin = 2.71054987223223 | erot = 2.52037576286435 | epot = -22.6131171255895 | etot = -17.3821914904929 -748000 ekin = 2.55015048250253 | erot = 2.69537742835584 | epot = -22.6616400107092 | etot = -17.4161120998508 -749000 ekin = 2.4743403066993 | erot = 2.01464607005272 | epot = -22.6951524837167 | etot = -18.2061661069646 -750000 ekin = 2.72230033116892 | erot = 1.60952725065647 | epot = -22.7320627310186 | etot = -18.4002351491932 -751000 ekin = 2.51043142470836 | erot = 1.80224959894129 | epot = -22.6780351335436 | etot = -18.3653541098939 -752000 ekin = 2.63659326252806 | erot = 1.51190288425088 | epot = -22.5566638983436 | etot = -18.4081677515646 -753000 ekin = 2.22777724794013 | erot = 2.36906570543334 | epot = -22.6071335797283 | etot = -18.0102906263549 -754000 ekin = 1.90064002802585 | erot = 2.4987423398728 | epot = -22.5664713331287 | etot = -18.16708896523 -755000 ekin = 1.84097054781323 | erot = 1.81660989632982 | epot = -22.3243978570986 | etot = -18.6668174129556 -756000 ekin = 1.9072977215419 | erot = 3.47869439939258 | epot = -22.3139248457301 | etot = -16.9279327247956 -757000 ekin = 2.92648412859418 | erot = 2.35165714253905 | epot = -22.4032306892798 | etot = -17.1250894181466 -758000 ekin = 2.761119937725 | erot = 2.96029457936289 | epot = -22.4093833044993 | etot = -16.6879687874114 -759000 ekin = 2.05979468653478 | erot = 2.75306043529531 | epot = -22.3978407784686 | etot = -17.5849856566385 -760000 ekin = 3.29448360098896 | erot = 3.86438603184197 | epot = -22.4057510645732 | etot = -15.2468814317423 -761000 ekin = 3.09819348686662 | erot = 1.69735163369829 | epot = -22.3918604222945 | etot = -17.5963153017295 -762000 ekin = 2.8429808573394 | erot = 2.74696984027755 | epot = -22.2799634059086 | etot = -16.6900127082917 -763000 ekin = 2.40587022296419 | erot = 1.99761718955002 | epot = -22.2245473449275 | etot = -17.8210599324133 -764000 ekin = 2.69114689966729 | erot = 2.18706151254182 | epot = -22.1158949498055 | etot = -17.2376865375964 -765000 ekin = 2.02342407409198 | erot = 2.40755354133614 | epot = -22.0801918095988 | etot = -17.6492141941707 -766000 ekin = 2.55386945841861 | erot = 2.2735300120383 | epot = -21.9453814240006 | etot = -17.1179819535437 -767000 ekin = 2.25334005789491 | erot = 3.15616241457377 | epot = -21.9591848457648 | etot = -16.5496823732961 -768000 ekin = 2.00682883228694 | erot = 2.52417129595785 | epot = -21.9372106864373 | etot = -17.4062105581925 -769000 ekin = 2.23813402043546 | erot = 2.85559067422092 | epot = -21.9700652214807 | etot = -16.8763405268243 -770000 ekin = 1.95345812792707 | erot = 1.71037618652205 | epot = -22.0309481387955 | etot = -18.3671138243464 -771000 ekin = 2.03963170914285 | erot = 2.38748698255688 | epot = -22.0082391059021 | etot = -17.5811204142023 -772000 ekin = 2.06112217022411 | erot = 2.70000480403923 | epot = -22.0060196271604 | etot = -17.2448926528971 -773000 ekin = 2.1054473406836 | erot = 2.10438313024729 | epot = -21.9856087815605 | etot = -17.7757783106296 -774000 ekin = 2.20665293417965 | erot = 1.98309808383526 | epot = -21.9846800128842 | etot = -17.7949289948693 -775000 ekin = 1.91373997893468 | erot = 2.82262340642995 | epot = -22.0452968667144 | etot = -17.3089334813498 -776000 ekin = 2.19240734852453 | erot = 2.49078961967547 | epot = -22.091057561943 | etot = -17.407860593743 -777000 ekin = 1.49861623144733 | erot = 1.30695475237057 | epot = -22.160400003221 | etot = -19.3548290194031 -778000 ekin = 1.69531477096896 | erot = 3.17990102703017 | epot = -21.9433338643409 | etot = -17.0681180663417 -779000 ekin = 2.03408275108515 | erot = 2.02083644208248 | epot = -21.8692045577056 | etot = -17.814285364538 -780000 ekin = 2.32186745464909 | erot = 1.59799877907745 | epot = -21.779259403208 | etot = -17.8593931694815 -781000 ekin = 2.81943737654873 | erot = 2.33206120657135 | epot = -21.9280199462268 | etot = -16.7765213631068 -782000 ekin = 2.78999918307152 | erot = 2.82490724099864 | epot = -21.9063368325378 | etot = -16.2914304084676 -783000 ekin = 2.75260781814664 | erot = 1.86132573030769 | epot = -21.9418725483536 | etot = -17.3279389998993 -784000 ekin = 2.98284408884117 | erot = 2.76354560233502 | epot = -21.920715473795 | etot = -16.1743257826188 -785000 ekin = 2.2365893692682 | erot = 1.78861508275494 | epot = -21.8288977108099 | etot = -17.8036932587867 -786000 ekin = 2.14414777981649 | erot = 2.07159716672848 | epot = -21.8686345308374 | etot = -17.6528895842924 -787000 ekin = 2.47319429252999 | erot = 2.28522145597639 | epot = -21.7568224131044 | etot = -16.998406664598 -788000 ekin = 2.2037125656444 | erot = 2.94983992744806 | epot = -21.807401237665 | etot = -16.6538487445726 -789000 ekin = 1.90039797522133 | erot = 2.52747460130211 | epot = -21.733582185717 | etot = -17.3057096091936 -790000 ekin = 1.84303835442002 | erot = 1.52778835767436 | epot = -21.8138250805319 | etot = -18.4429983684375 -791000 ekin = 2.55973906062281 | erot = 2.07623433695467 | epot = -21.8760673428163 | etot = -17.2400939452388 -792000 ekin = 1.64105723574641 | erot = 2.51498077776481 | epot = -21.8705113566728 | etot = -17.7144733431616 -793000 ekin = 2.18354187889159 | erot = 2.48490382483639 | epot = -21.9577315408449 | etot = -17.2892858371169 -794000 ekin = 2.82327663056602 | erot = 3.3208090455501 | epot = -21.9401298111912 | etot = -15.7960441350751 -795000 ekin = 3.35539827663487 | erot = 3.31260020346181 | epot = -21.9264520382708 | etot = -15.2584535581741 -796000 ekin = 2.40740867688621 | erot = 1.57597595059244 | epot = -21.9748654474447 | etot = -17.991480819966 -797000 ekin = 2.79764140160881 | erot = 3.21306683298178 | epot = -21.8960553216211 | etot = -15.8853470870305 -798000 ekin = 2.75235345571032 | erot = 2.16726736660523 | epot = -21.9467263944678 | etot = -17.0271055721522 -799000 ekin = 2.76203245885878 | erot = 2.97689904095233 | epot = -21.8743227138698 | etot = -16.1353912140587 -800000 ekin = 2.81032669767261 | erot = 2.21645039580168 | epot = -21.874383510595 | etot = -16.8476064171207 -801000 ekin = 3.36862076335485 | erot = 2.36357276514919 | epot = -21.8196797425216 | etot = -16.0874862140175 -802000 ekin = 3.17839060401735 | erot = 2.37456159755556 | epot = -21.6942373686297 | etot = -16.1412851670568 -803000 ekin = 2.57363536086741 | erot = 1.72140865671985 | epot = -21.5847418534903 | etot = -17.289697835903 -804000 ekin = 2.40212767593722 | erot = 1.81298666067406 | epot = -21.5293497123863 | etot = -17.314235375775 -805000 ekin = 2.77711079955076 | erot = 2.46558169578922 | epot = -21.6187696645293 | etot = -16.3760771691893 -806000 ekin = 2.55163537095457 | erot = 2.07829064761593 | epot = -21.5175633688748 | etot = -16.8876373503043 -807000 ekin = 2.16828861417546 | erot = 2.14909333685052 | epot = -21.4370785365412 | etot = -17.1196965855152 -808000 ekin = 1.52247178905684 | erot = 2.6826614265022 | epot = -21.3105524860528 | etot = -17.1054192704938 -809000 ekin = 1.92812857984838 | erot = 1.43056331824491 | epot = -21.1839259115906 | etot = -17.8252340134973 -810000 ekin = 2.22251801029333 | erot = 2.58813475636527 | epot = -21.1788629745341 | etot = -16.3682102078755 -811000 ekin = 2.30282325024527 | erot = 1.43949319809354 | epot = -21.1417336792482 | etot = -17.3994172309094 -812000 ekin = 2.15941343791814 | erot = 2.89500994256604 | epot = -21.1419338778617 | etot = -16.0875104973775 -813000 ekin = 2.32954389313432 | erot = 2.41977402200041 | epot = -21.1892335081721 | etot = -16.4399155930374 -814000 ekin = 2.26485001316768 | erot = 1.98538164115157 | epot = -21.1932468666377 | etot = -16.9430152123184 -815000 ekin = 2.41630590364713 | erot = 2.99255527397409 | epot = -21.1098074992862 | etot = -15.700946321665 -816000 ekin = 2.67026011582709 | erot = 2.65041733757061 | epot = -21.1150624925932 | etot = -15.7943850391955 -817000 ekin = 2.26330508431116 | erot = 2.44986465102853 | epot = -21.1331844070825 | etot = -16.4200146717428 -818000 ekin = 2.20996514807098 | erot = 3.727109097134 | epot = -21.1017127717073 | etot = -15.1646385265024 -819000 ekin = 2.57394897351115 | erot = 3.00884410677579 | epot = -21.041932430768 | etot = -15.4591393504811 -820000 ekin = 2.6269546487903 | erot = 2.28213489416385 | epot = -21.0722371160471 | etot = -16.163147573093 -821000 ekin = 2.61364324263858 | erot = 2.35068554002091 | epot = -21.1855362753227 | etot = -16.2212074926632 -822000 ekin = 2.36817941179088 | erot = 2.29408928197165 | epot = -21.224917006927 | etot = -16.5626483131645 -823000 ekin = 2.75982209175738 | erot = 2.28480205814775 | epot = -21.3426772027003 | etot = -16.2980530527951 -824000 ekin = 1.50978044541751 | erot = 2.23801949349373 | epot = -21.3865247649546 | etot = -17.6387248260434 -825000 ekin = 1.83128269423152 | erot = 2.38147378919583 | epot = -21.4614886551422 | etot = -17.2487321717148 -826000 ekin = 2.51131465952168 | erot = 2.83805149504081 | epot = -21.4681680733736 | etot = -16.1188019188111 -827000 ekin = 2.46554499044043 | erot = 2.50199323815042 | epot = -21.4572012069778 | etot = -16.4896629783869 -828000 ekin = 2.41378793908818 | erot = 1.68202937429718 | epot = -21.4539863774251 | etot = -17.3581690640397 -829000 ekin = 2.4681575394398 | erot = 2.76556063553637 | epot = -21.6061033580493 | etot = -16.3723851830731 -830000 ekin = 2.50947351976231 | erot = 1.95946819770171 | epot = -21.6566904098634 | etot = -17.1877486923994 -831000 ekin = 2.69088795720236 | erot = 2.34186880436294 | epot = -21.6751650606748 | etot = -16.6424082991095 -832000 ekin = 1.54455154996055 | erot = 2.80525631028289 | epot = -21.7300917306615 | etot = -17.380283870418 -833000 ekin = 1.60055229673051 | erot = 3.14700223857927 | epot = -21.7718768340911 | etot = -17.0243222987814 -834000 ekin = 1.58616945483838 | erot = 1.86597500790458 | epot = -21.7880513273337 | etot = -18.3359068645908 -835000 ekin = 3.47114373337366 | erot = 2.09781333604001 | epot = -21.8771549098142 | etot = -16.3081978404005 -836000 ekin = 2.71067283785106 | erot = 3.26177139393205 | epot = -22.0614513419415 | etot = -16.0890071101583 -837000 ekin = 2.82278761249275 | erot = 2.64917318251883 | epot = -22.2428744107532 | etot = -16.7709136157417 -838000 ekin = 2.86323560044783 | erot = 2.96285563085687 | epot = -22.3579310822412 | etot = -16.5318398509365 -839000 ekin = 2.91010528600405 | erot = 1.78968409868876 | epot = -22.3931377567277 | etot = -17.6933483720349 -840000 ekin = 2.68501939036542 | erot = 1.84551444209968 | epot = -22.4099858160921 | etot = -17.879451983627 -841000 ekin = 2.78761718016806 | erot = 2.07511139278678 | epot = -22.4502333935977 | etot = -17.5875048206429 -842000 ekin = 2.30765580411605 | erot = 2.05774495041193 | epot = -22.4188744128232 | etot = -18.0534736582952 -843000 ekin = 2.34438101892177 | erot = 2.29420407093426 | epot = -22.4349024679563 | etot = -17.7963173781003 -844000 ekin = 2.00792674828049 | erot = 2.31767327257805 | epot = -22.4786582023913 | etot = -18.1530581815328 -845000 ekin = 2.55136030290324 | erot = 2.34385902090199 | epot = -22.4799883641885 | etot = -17.5847690403832 -846000 ekin = 3.24095798236659 | erot = 2.35217012971054 | epot = -22.5063540497827 | etot = -16.9132259377056 -847000 ekin = 2.03834455975138 | erot = 2.30020941454582 | epot = -22.5309995762754 | etot = -18.1924456019782 -848000 ekin = 2.83373620504456 | erot = 2.13136296315047 | epot = -22.509666561527 | etot = -17.544567393332 -849000 ekin = 2.30412012601641 | erot = 2.33744771805384 | epot = -22.4861027555015 | etot = -17.8445349114312 -850000 ekin = 1.52103738969765 | erot = 2.15323991690878 | epot = -22.5147792441637 | etot = -18.8405019375573 -851000 ekin = 1.85927261161487 | erot = 2.05456043679611 | epot = -22.41752057705 | etot = -18.503687528639 -852000 ekin = 1.35588514515989 | erot = 1.9167555928276 | epot = -22.3689199481736 | etot = -19.0962792101861 -853000 ekin = 2.3850184465024 | erot = 2.13310598794891 | epot = -22.4485532426469 | etot = -17.9304288081955 -854000 ekin = 3.24160358995203 | erot = 2.86289112951559 | epot = -22.5134229014302 | etot = -16.4089281819626 -855000 ekin = 2.13481228779989 | erot = 1.96664100945254 | epot = -22.4546662618353 | etot = -18.3532129645828 -856000 ekin = 2.50184794641609 | erot = 1.67720759103887 | epot = -22.3993038611807 | etot = -18.2202483237257 -857000 ekin = 3.36467068168789 | erot = 2.39681039692234 | epot = -22.3226520614655 | etot = -16.5611709828553 -858000 ekin = 2.48664620814186 | erot = 2.35813115829077 | epot = -22.272278975303 | etot = -17.4275016088704 -859000 ekin = 2.32018019421645 | erot = 2.34139041664418 | epot = -22.2193920346789 | etot = -17.5578214238183 -860000 ekin = 2.22338714949804 | erot = 2.59608961594502 | epot = -22.2078599697903 | etot = -17.3883832043473 -861000 ekin = 2.78084194233445 | erot = 1.92482892867366 | epot = -22.1430552159866 | etot = -17.4373843449785 -862000 ekin = 2.44005485500116 | erot = 2.71281255016884 | epot = -22.1159986211262 | etot = -16.9631312159562 -863000 ekin = 2.24234987838148 | erot = 3.79312130641057 | epot = -22.0841490674594 | etot = -16.0486778826673 -864000 ekin = 3.01456697615184 | erot = 2.29303363412973 | epot = -22.1234826076905 | etot = -16.815881997409 -865000 ekin = 2.16000819632291 | erot = 2.15780299713575 | epot = -22.1287456416268 | etot = -17.8109344481681 -866000 ekin = 1.81163527021121 | erot = 2.32024755104635 | epot = -22.1499759612014 | etot = -18.0180931399439 -867000 ekin = 2.25540445662073 | erot = 3.35667286394567 | epot = -22.1512265495476 | etot = -16.5391492289812 -868000 ekin = 2.12606109236403 | erot = 2.09577443816696 | epot = -22.1889361717519 | etot = -17.9671006412209 -869000 ekin = 3.01588764102674 | erot = 2.28014407542063 | epot = -22.221302584169 | etot = -16.9252708677216 -870000 ekin = 2.40773894902557 | erot = 3.40007074283947 | epot = -22.1952409397611 | etot = -16.387431247896 -871000 ekin = 3.32703715357026 | erot = 3.46064712451054 | epot = -22.207619940406 | etot = -15.4199356623252 -872000 ekin = 2.67470986735512 | erot = 2.18306697620401 | epot = -22.2188283181498 | etot = -17.3610514745907 -873000 ekin = 2.52072696526388 | erot = 2.1369508485849 | epot = -22.2519152847091 | etot = -17.5942374708604 -874000 ekin = 2.27694681653708 | erot = 1.90405870618916 | epot = -22.2119486941003 | etot = -18.0309431713741 -875000 ekin = 3.04326947271929 | erot = 2.81417576356414 | epot = -22.2207355347687 | etot = -16.3632902984853 -876000 ekin = 2.65936305160015 | erot = 2.00688506244317 | epot = -22.2254483507339 | etot = -17.5592002366906 -877000 ekin = 2.1218906050998 | erot = 2.12108610918076 | epot = -22.2199840422449 | etot = -17.9770073279643 -878000 ekin = 2.04330658320778 | erot = 2.19234207701539 | epot = -22.2416061573535 | etot = -18.0059574971303 -879000 ekin = 2.32331088859055 | erot = 1.79314356421366 | epot = -22.2511349493271 | etot = -18.1346804965229 -880000 ekin = 2.7191684680603 | erot = 2.50780771372557 | epot = -22.3211844971675 | etot = -17.0942083153816 -881000 ekin = 1.99457026442112 | erot = 2.42028761684275 | epot = -22.3291049337298 | etot = -17.9142470524659 -882000 ekin = 2.17848471304109 | erot = 2.10936064799446 | epot = -22.4203903692112 | etot = -18.1325450081757 -883000 ekin = 1.77867952654183 | erot = 2.64915979670231 | epot = -22.4714725630276 | etot = -18.0436332397834 -884000 ekin = 2.14335954946475 | erot = 1.84960097278838 | epot = -22.5511502290244 | etot = -18.5581897067713 -885000 ekin = 2.1737296921439 | erot = 1.1224465172794 | epot = -22.6177136264329 | etot = -19.3215374170096 -886000 ekin = 2.42905198250288 | erot = 2.95855698435737 | epot = -22.6235099833459 | etot = -17.2359010164856 -887000 ekin = 2.48421926935623 | erot = 2.38511493603948 | epot = -22.6296650575404 | etot = -17.7603308521447 -888000 ekin = 2.70449841183027 | erot = 2.37632299730154 | epot = -22.6283104195123 | etot = -17.5474890103805 -889000 ekin = 2.16954131372983 | erot = 2.33019249573093 | epot = -22.6936030299779 | etot = -18.1938692205171 -890000 ekin = 2.47926329860922 | erot = 2.33896915658922 | epot = -22.6494572776992 | etot = -17.8312248225007 -891000 ekin = 1.94552918338144 | erot = 2.18077529869467 | epot = -22.6609703311569 | etot = -18.5346658490808 -892000 ekin = 2.28162371339856 | erot = 2.3088525744332 | epot = -22.6825434447643 | etot = -18.0920671569325 -893000 ekin = 2.88680394731139 | erot = 2.10479527485689 | epot = -22.6297583991013 | etot = -17.638159176933 -894000 ekin = 2.22095391000543 | erot = 2.6955566302385 | epot = -22.5465758433209 | etot = -17.6300653030769 -895000 ekin = 2.78422464609227 | erot = 2.65463994767233 | epot = -22.5353839067237 | etot = -17.0965193129591 -896000 ekin = 2.36290673766564 | erot = 2.68569415977408 | epot = -22.5147457657546 | etot = -17.4661448683149 -897000 ekin = 2.78793396360212 | erot = 2.64131273496852 | epot = -22.5414816276965 | etot = -17.1122349291259 -898000 ekin = 2.3402778901712 | erot = 2.19036014594362 | epot = -22.5104750621796 | etot = -17.9798370260648 -899000 ekin = 2.66788181923082 | erot = 2.47623824735052 | epot = -22.4660137235249 | etot = -17.3218936569435 -900000 ekin = 1.59318336723961 | erot = 2.21998911769617 | epot = -22.5347550915857 | etot = -18.7215826066499 -901000 ekin = 2.06417516984273 | erot = 2.10877138148894 | epot = -22.5774386825736 | etot = -18.4044921312419 -902000 ekin = 1.92723308146077 | erot = 2.68515165308711 | epot = -22.5481083061021 | etot = -17.9357235715542 -903000 ekin = 1.80993467873556 | erot = 1.57695529654776 | epot = -22.5323996660651 | etot = -19.1455096907817 -904000 ekin = 1.95575183245312 | erot = 2.60436945067914 | epot = -22.5256682806408 | etot = -17.9655469975085 -905000 ekin = 2.49381768733875 | erot = 1.66773826407627 | epot = -22.4993840902563 | etot = -18.3378281388413 -906000 ekin = 2.70456575671731 | erot = 2.32922683721416 | epot = -22.5151218166898 | etot = -17.4813292227584 -907000 ekin = 3.43903944265671 | erot = 3.0307204788449 | epot = -22.5299571834398 | etot = -16.0601972619382 -908000 ekin = 2.37356952619769 | erot = 2.64936438196245 | epot = -22.516942166439 | etot = -17.4940082582789 -909000 ekin = 2.1860703025731 | erot = 2.13921305901071 | epot = -22.5153521800656 | etot = -18.1900688184818 -910000 ekin = 2.24010023383653 | erot = 1.8514435260008 | epot = -22.5113320632559 | etot = -18.4197883034186 -911000 ekin = 2.67585852173789 | erot = 3.85348226422502 | epot = -22.4699249030924 | etot = -15.9405841171295 -912000 ekin = 3.64657818361083 | erot = 2.2905143551155 | epot = -22.4162004746889 | etot = -16.4791079359625 -913000 ekin = 2.77291999770499 | erot = 2.1022397931402 | epot = -22.2869766697588 | etot = -17.4118168789136 -914000 ekin = 1.89079293131433 | erot = 1.61085972457271 | epot = -22.2125075199665 | etot = -18.7108548640794 -915000 ekin = 2.29207178481568 | erot = 2.8656606451286 | epot = -22.1499813962335 | etot = -16.9922489662893 -916000 ekin = 2.37906860202164 | erot = 2.93218592813836 | epot = -22.1637836439351 | etot = -16.8525291137751 -917000 ekin = 2.59326894380189 | erot = 1.59995350665161 | epot = -22.1382449385233 | etot = -17.9450224880698 -918000 ekin = 2.59372186080417 | erot = 3.48686361915462 | epot = -22.1117393261149 | etot = -16.0311538461561 -919000 ekin = 3.63953975205853 | erot = 2.58422541764726 | epot = -22.1104945479772 | etot = -15.8867293782714 -920000 ekin = 2.78492990282824 | erot = 1.86208025423285 | epot = -22.0733276968689 | etot = -17.4263175398078 -921000 ekin = 3.07307788316298 | erot = 1.56848168882074 | epot = -22.0450316551233 | etot = -17.4034720831396 -922000 ekin = 2.52896264126303 | erot = 2.06804264923523 | epot = -22.0195361349236 | etot = -17.4225308444253 -923000 ekin = 2.61981998522111 | erot = 2.66954469306772 | epot = -22.0457463967354 | etot = -16.7563817184466 -924000 ekin = 2.29381022514437 | erot = 2.49801555366746 | epot = -22.0170239220671 | etot = -17.2251981432553 -925000 ekin = 2.34625944949207 | erot = 3.19587785236191 | epot = -22.028094746344 | etot = -16.4859574444901 -926000 ekin = 2.1499233373865 | erot = 2.05823289292907 | epot = -22.0551986731856 | etot = -17.84704244287 -927000 ekin = 2.70495872901843 | erot = 1.96917479663366 | epot = -22.0956495975482 | etot = -17.4215160718961 -928000 ekin = 2.20438880519295 | erot = 2.76887961394763 | epot = -22.1039091543987 | etot = -17.1306407352581 -929000 ekin = 1.66382307176874 | erot = 2.62906085068005 | epot = -22.1726645871649 | etot = -17.8797806647161 -930000 ekin = 2.44828303043728 | erot = 2.44689226426912 | epot = -22.2529456791372 | etot = -17.3577703844308 -931000 ekin = 2.34172371844874 | erot = 1.78034954048635 | epot = -22.3194053510458 | etot = -18.1973320921107 -932000 ekin = 2.86526138273858 | erot = 3.26408148037739 | epot = -22.3255275519233 | etot = -16.1961846888074 -933000 ekin = 2.82342195482862 | erot = 3.6937351987852 | epot = -22.2580157348403 | etot = -15.7408585812265 -934000 ekin = 2.38157885575329 | erot = 3.09818957660776 | epot = -22.1592884972713 | etot = -16.6795200649102 -935000 ekin = 2.47849108316876 | erot = 1.92075328373161 | epot = -22.0961420624139 | etot = -17.6968976955135 -936000 ekin = 2.49397604910015 | erot = 2.55601396404453 | epot = -22.0064014399899 | etot = -16.9564114268453 -937000 ekin = 2.6918648576103 | erot = 3.47263294076258 | epot = -22.0234522240484 | etot = -15.8589544256755 -938000 ekin = 2.48873697071885 | erot = 2.3615977813032 | epot = -21.9576739595259 | etot = -17.1073392075039 -939000 ekin = 2.7056760578856 | erot = 1.42055121093474 | epot = -22.0193047024759 | etot = -17.8930774336556 -940000 ekin = 2.88189239926779 | erot = 2.54211609996475 | epot = -21.963323771107 | etot = -16.5393152718745 -941000 ekin = 2.44770794558597 | erot = 1.8579190466837 | epot = -21.9343286748115 | etot = -17.6287016825418 -942000 ekin = 2.61959568530468 | erot = 2.22532128272654 | epot = -21.9353530015567 | etot = -17.0904360335255 -943000 ekin = 2.54153612965671 | erot = 2.71959375806095 | epot = -21.9843720500752 | etot = -16.7232421623575 -944000 ekin = 2.57930166684081 | erot = 1.60562519751619 | epot = -21.9098609218899 | etot = -17.7249340575329 -945000 ekin = 2.26017628750984 | erot = 2.67831094836454 | epot = -21.8967586325953 | etot = -16.958271396721 -946000 ekin = 2.56313399941445 | erot = 2.76984355108528 | epot = -21.885121080301 | etot = -16.5521435298013 -947000 ekin = 1.72889278969055 | erot = 1.57454364668031 | epot = -21.8264681047052 | etot = -18.5230316683343 -948000 ekin = 1.42819481646296 | erot = 2.04503560450747 | epot = -21.8391184541439 | etot = -18.3658880331735 -949000 ekin = 1.74199608841338 | erot = 1.96409283987733 | epot = -21.8667949303421 | etot = -18.1607060020513 -950000 ekin = 1.55764652514141 | erot = 2.39695530807616 | epot = -21.8856003991517 | etot = -17.9309985659341 -951000 ekin = 1.63932624900687 | erot = 2.1627973168229 | epot = -21.9503862126057 | etot = -18.1482626467759 -952000 ekin = 1.89086480907742 | erot = 2.49708005969823 | epot = -21.9454729492793 | etot = -17.5575280805036 -953000 ekin = 2.44055170062751 | erot = 2.14431771118738 | epot = -21.8959489835736 | etot = -17.3110795717587 -954000 ekin = 2.14487831289196 | erot = 3.08443398263928 | epot = -21.795825093512 | etot = -16.5665127979808 -955000 ekin = 1.60221367612371 | erot = 3.5308242347527 | epot = -21.6951891429404 | etot = -16.562151232064 -956000 ekin = 2.86347770563429 | erot = 2.69138834272026 | epot = -21.6556631266882 | etot = -16.1007970783337 -957000 ekin = 2.76520094154603 | erot = 2.16152614675844 | epot = -21.6435053042083 | etot = -16.7167782159039 -958000 ekin = 3.29226660028984 | erot = 2.62876087991651 | epot = -21.5934941292417 | etot = -15.6724666490354 -959000 ekin = 2.66337479749112 | erot = 1.93770218849588 | epot = -21.5642990170474 | etot = -16.9632220310604 -960000 ekin = 2.86423754644722 | erot = 2.19410745878017 | epot = -21.5177124722279 | etot = -16.4593674670006 -961000 ekin = 2.48295179178335 | erot = 2.43234834813273 | epot = -21.5213073923115 | etot = -16.6060072523954 -962000 ekin = 1.68087651110994 | erot = 2.11605214746261 | epot = -21.5272991731175 | etot = -17.730370514545 -963000 ekin = 2.12197709458218 | erot = 1.94777002069826 | epot = -21.5235663501543 | etot = -17.4538192348738 -964000 ekin = 2.50733406625421 | erot = 2.86610278796474 | epot = -21.6134414980076 | etot = -16.2400046437886 -965000 ekin = 2.48599183654717 | erot = 1.79499031304665 | epot = -21.5880837540441 | etot = -17.3071016044502 -966000 ekin = 2.00894333039795 | erot = 2.33897690805447 | epot = -21.6770932400157 | etot = -17.3291730015632 -967000 ekin = 2.50955412880022 | erot = 2.78273184372279 | epot = -21.7722886206001 | etot = -16.4800026480771 -968000 ekin = 2.39889345353743 | erot = 2.01767642165489 | epot = -21.8155202641564 | etot = -17.3989503889641 -969000 ekin = 2.28246497162226 | erot = 2.6610436899411 | epot = -21.8367533421236 | etot = -16.8932446805602 -970000 ekin = 2.23203775830392 | erot = 2.52493315465349 | epot = -21.7968010714725 | etot = -17.0398301585151 -971000 ekin = 2.35522817907367 | erot = 3.39194300680609 | epot = -21.8814762448495 | etot = -16.1343050589698 -972000 ekin = 2.92268851492039 | erot = 2.10931174667369 | epot = -21.8978389761888 | etot = -16.8658387145947 -973000 ekin = 2.77937322332655 | erot = 3.20264340638929 | epot = -21.8742816810463 | etot = -15.8922650513305 -974000 ekin = 2.49009389085376 | erot = 2.32800875868964 | epot = -21.7820748340866 | etot = -16.9639721845432 -975000 ekin = 2.72033534996219 | erot = 3.65469302721884 | epot = -21.7224052943306 | etot = -15.3473769171495 -976000 ekin = 2.71017392247357 | erot = 2.02557906552618 | epot = -21.6961182780945 | etot = -16.9603652900947 -977000 ekin = 2.17702730116704 | erot = 2.60235136270384 | epot = -21.6180913127583 | etot = -16.8387126488875 -978000 ekin = 1.77849232321391 | erot = 1.99858920804759 | epot = -21.5849000297842 | etot = -17.8078184985227 -979000 ekin = 2.48810087232518 | erot = 2.63640222059576 | epot = -21.6371898197889 | etot = -16.5126867268679 -980000 ekin = 1.82633711731844 | erot = 2.05813667598699 | epot = -21.6585229341326 | etot = -17.7740491408271 -981000 ekin = 1.91146199713101 | erot = 1.90004529483666 | epot = -21.7219076944834 | etot = -17.9104004025157 -982000 ekin = 1.58901547008885 | erot = 2.3998948195541 | epot = -21.7861972103806 | etot = -17.7972869207376 -983000 ekin = 1.90990791777794 | erot = 2.80966645725473 | epot = -21.7824009478711 | etot = -17.0628265728384 -984000 ekin = 3.04220145268175 | erot = 1.69588850289015 | epot = -21.8411397187458 | etot = -17.1030497631739 -985000 ekin = 2.78368169036401 | erot = 2.92615311813614 | epot = -21.9523851434087 | etot = -16.2425503349085 -986000 ekin = 2.49557629947763 | erot = 3.0544158396407 | epot = -21.9474177819392 | etot = -16.3974256428209 -987000 ekin = 2.94534789449803 | erot = 1.85813505015918 | epot = -21.9308646063833 | etot = -17.1273816617261 -988000 ekin = 3.20975095732697 | erot = 3.54928250010428 | epot = -21.8260823230639 | etot = -15.0670488656326 -989000 ekin = 2.92872893558337 | erot = 2.50053850131553 | epot = -21.7939177563688 | etot = -16.3646503194699 -990000 ekin = 1.94245878607124 | erot = 2.64876037239901 | epot = -21.7891875584096 | etot = -17.1979683999394 -991000 ekin = 2.17972550210194 | erot = 2.86510777418376 | epot = -21.8197503596152 | etot = -16.7749170833296 -992000 ekin = 2.52496188361677 | erot = 2.72509937739588 | epot = -21.7730940251365 | etot = -16.5230327641239 -993000 ekin = 2.06107125732198 | erot = 2.79131355143356 | epot = -21.7326833691733 | etot = -16.8802985604177 -994000 ekin = 2.40031262466104 | erot = 2.5219233481115 | epot = -21.7261274920277 | etot = -16.8038915192551 -995000 ekin = 1.80633536079933 | erot = 2.07468376575716 | epot = -21.7283755003117 | etot = -17.8473563737552 -996000 ekin = 2.61788487499682 | erot = 2.63730746697003 | epot = -21.6837220732346 | etot = -16.4285297312677 -997000 ekin = 3.17513078038726 | erot = 2.07778272001357 | epot = -21.6151676277683 | etot = -16.3622541273675 -998000 ekin = 2.82648577435409 | erot = 2.39219801181103 | epot = -21.4967856271291 | etot = -16.278101840964 -999000 ekin = 2.15841415676437 | erot = 2.8705487674429 | epot = -21.4943522577851 | etot = -16.4653893335778 -1000000 ekin = 2.16735910095287 | erot = 2.44618830827923 | epot = -21.395427974522 | etot = -16.7818805652899 - 1000000 0.096327071 -1.3608937 0.023679494 -1.2017543 -3.298683e-05 -Loop time of 28.7478 on 1 procs for 1000000 steps with 16 atoms - -Performance: 30054.487 tau/day, 34785.286 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 | 23.177 | 23.177 | 23.177 | 0.0 | 80.62 -Bond | 0.9075 | 0.9075 | 0.9075 | 0.0 | 3.16 -Neigh | 0 | 0 | 0 | 0.0 | 0.00 -Comm | 0.19114 | 0.19114 | 0.19114 | 0.0 | 0.66 -Output | 8e-06 | 8e-06 | 8e-06 | 0.0 | 0.00 -Modify | 4.1695 | 4.1695 | 4.1695 | 0.0 | 14.50 -Other | | 0.303 | | | 1.05 - -Nlocal: 16.0 ave 16.0 max 16.0 min -Histogram: 1 0 0 0 0 0 0 0 0 0 -Nghost: 0.0 ave 0.0 max 0.0 min -Histogram: 1 0 0 0 0 0 0 0 0 0 -Neighs: 89.0 ave 89.0 max 89.0 min -Histogram: 1 0 0 0 0 0 0 0 0 0 - -Total # of neighbors = 89 -Ave neighs/atom = 5.5625 -Ave special neighs/atom = 3.75 -Neighbor list builds = 0 -Dangerous builds = 0 - -#write_restart config.${number}.* -Total wall time: 0:00:28 diff --git a/examples/PACKAGES/cgdna/examples/oxDNA/duplex2/log.30Jun20.duplex2.g++.4 b/examples/PACKAGES/cgdna/examples/oxDNA/duplex2/log.30Jun20.duplex2.g++.4 deleted file mode 100644 index 773305140b..0000000000 --- a/examples/PACKAGES/cgdna/examples/oxDNA/duplex2/log.30Jun20.duplex2.g++.4 +++ /dev/null @@ -1,1176 +0,0 @@ -LAMMPS (30 Jun 2020) -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 -WARNING: Atom_style hybrid defines both pertype and peratom masses - both must be set, only peratom masses will be used (../atom_vec_hybrid.cpp:156) -atom_modify sort 0 1.0 - -# Pair interactions require lists of neighbours to be calculated -neighbor 1.0 bin -neigh_modify every 1 delay 0 check yes - -read_data data.duplex2 - orthogonal box = (-20 -20 -20) to (20 20 20) - 1 by 2 by 2 MPI processor grid - reading atoms ... - 16 atoms - reading velocities ... - 16 velocities - 16 ellipsoids - scanning bonds ... - 2 = max bonds/atom - reading bonds ... - 13 bonds - 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 = 0.004 seconds - -set atom * mass 3.1575 - 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 - 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/dot -fix 1 all nve/dotc/langevin ${T} ${T} 0.03 457145 angmom 10 -fix 1 all nve/dotc/langevin 0.1 ${T} 0.03 457145 angmom 10 -fix 1 all nve/dotc/langevin 0.1 0.1 0.03 457145 angmom 10 -#fix 1 all nve/asphere -#fix 2 all langevin ${T} ${T} 0.03 457145 angmom 10 - -timestep 1e-5 - -#comm_style tiled -#fix 3 all balance 10000 1.1 rcb -comm_modify cutoff 2.5 - -#compute mol all chunk/atom molecule -#compute mychunk all vcm/chunk mol -#fix 4 all ave/time 10000 1 10000 c_mychunk[1] c_mychunk[2] c_mychunk[3] file vcm.txt mode vector - -#dump pos all xyz ${ofreq} traj.${number}.xyz - -#compute quat all property/atom quatw quati quatj quatk -#dump quat all custom ${ofreq} quat.${number}.txt id c_quat[1] c_quat[2] c_quat[3] c_quat[4] -#dump_modify quat sort id -#dump_modify quat format line "%d %13.6le %13.6le %13.6le %13.6le" - -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}.txt id x y z vx vy vz fx fy fz tqx tqy tqz -#dump_modify out sort id -#dump_modify out format line "%d %13.6le %13.6le %13.6le %13.6le %13.6le %13.6le %13.6le %13.6le %13.6le %13.6le %13.6le %13.6le" - -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 = 1.9560004 - ghost atom cutoff = 2.5 - binsize = 0.97800022, bins = 41 41 41 - 5 neighbor lists, perpetual/occasional/extra = 5 0 0 - (1) pair oxdna/excv, perpetual - attributes: half, newton off - pair build: half/bin/newtoff - stencil: half/bin/3d/newtoff - bin: standard - (2) pair oxdna/stk, perpetual, copy from (1) - attributes: half, newton off - pair build: copy - stencil: none - bin: none - (3) pair oxdna/hbond, perpetual, copy from (1) - attributes: half, newton off - pair build: copy - stencil: none - bin: none - (4) pair oxdna/xstk, perpetual, copy from (1) - attributes: half, newton off - pair build: copy - stencil: none - bin: none - (5) pair oxdna/coaxstk, perpetual, copy from (1) - attributes: half, newton off - pair build: copy - stencil: none - bin: none -0 ekin = 0 | erot = 0 | epot = -24.5312382023598 | etot = -24.5312382023598 -Per MPI rank memory allocation (min/avg/max) = 7.73 | 7.787 | 7.844 Mbytes -Step Temp E_pair E_mol TotEng Press - 0 0 -1.5402493 0.0070469125 -1.5332024 6.0760034e-06 -1000 ekin = 1.34565986428024 | erot = 2.31051421234078 | epot = -24.5061991591502 | etot = -20.8500250825292 -2000 ekin = 2.15911766687235 | erot = 2.16031365874706 | epot = -24.4723177103698 | etot = -20.1528863847504 -3000 ekin = 3.26561948796015 | erot = 2.75651822936605 | epot = -24.412573068346 | etot = -18.3904353510198 -4000 ekin = 1.92438809241066 | erot = 2.12016940074985 | epot = -24.3496233970111 | etot = -20.3050659038505 -5000 ekin = 1.35986357015476 | erot = 1.99413493074226 | epot = -24.2789445616949 | etot = -20.9249460607979 -6000 ekin = 2.19432475124593 | erot = 1.74281260409078 | epot = -24.2128064295788 | etot = -20.2756690742421 -7000 ekin = 2.65619274477635 | erot = 1.74094257048458 | epot = -24.1673462333493 | etot = -19.7702109180883 -8000 ekin = 2.51333548501169 | erot = 2.34649854571052 | epot = -24.0812769481836 | etot = -19.2214429174614 -9000 ekin = 2.24506493169711 | erot = 2.0652555461504 | epot = -23.9906736063989 | etot = -19.6803531285514 -10000 ekin = 2.36632635249862 | erot = 1.79592471761529 | epot = -23.9002627850602 | etot = -19.7380117149463 -11000 ekin = 2.03296432220126 | erot = 1.687070009478 | epot = -23.8527188138995 | etot = -20.1326844822202 -12000 ekin = 2.65352743446956 | erot = 2.50226345616878 | epot = -23.8480805937578 | etot = -18.6922897031194 -13000 ekin = 1.89067421214403 | erot = 2.35043092595414 | epot = -23.7714712440931 | etot = -19.5303661059949 -14000 ekin = 1.90680463918722 | erot = 2.12745987027399 | epot = -23.7545354032947 | etot = -19.7202708938335 -15000 ekin = 2.40428667481004 | erot = 2.06172433796653 | epot = -23.6726347642127 | etot = -19.2066237514361 -16000 ekin = 2.7510166356243 | erot = 1.18896277635344 | epot = -23.5745121257654 | etot = -19.6345327137876 -17000 ekin = 2.44090826892662 | erot = 2.38166706806441 | epot = -23.5888433865641 | etot = -18.766268049573 -18000 ekin = 2.16977970545217 | erot = 2.46915729098831 | epot = -23.6023194416344 | etot = -18.9633824451939 -19000 ekin = 2.19378610033861 | erot = 2.45183819484609 | epot = -23.5449084745393 | etot = -18.8992841793546 -20000 ekin = 2.07734013817241 | erot = 1.81448496219961 | epot = -23.5782673056893 | etot = -19.6864422053173 -21000 ekin = 2.27781532351243 | erot = 2.76369118136086 | epot = -23.5986545956161 | etot = -18.5571480907428 -22000 ekin = 2.69375785791379 | erot = 1.86436952967315 | epot = -23.5521083325077 | etot = -18.9939809449207 -23000 ekin = 1.99952884103097 | erot = 2.28032953163857 | epot = -23.4448504933921 | etot = -19.1649921207226 -24000 ekin = 2.19993258930349 | erot = 2.97916455146848 | epot = -23.365299008021 | etot = -18.1862018672491 -25000 ekin = 2.28089469652686 | erot = 2.97627567077201 | epot = -23.2873526827526 | etot = -18.0301823154537 -26000 ekin = 1.99390998801617 | erot = 2.79250495479074 | epot = -23.1859723519608 | etot = -18.3995574091539 -27000 ekin = 2.00992865272585 | erot = 2.66533768693446 | epot = -23.0781687640813 | etot = -18.402902424421 -28000 ekin = 2.00322172723407 | erot = 2.36418499091004 | epot = -23.0032647032354 | etot = -18.6358579850913 -29000 ekin = 2.52361436071784 | erot = 2.06140753694879 | epot = -22.9685706338047 | etot = -18.383548736138 -30000 ekin = 1.94969919616482 | erot = 2.13601590002587 | epot = -22.8657664932105 | etot = -18.7800513970198 -31000 ekin = 1.81286761012387 | erot = 2.31717861791922 | epot = -22.8372197907213 | etot = -18.7071735626782 -32000 ekin = 1.88389491638451 | erot = 2.00512246825909 | epot = -22.9321024454487 | etot = -19.0430850608051 -33000 ekin = 1.78524470387102 | erot = 1.83154598239148 | epot = -22.9538943248059 | etot = -19.3371036385434 -34000 ekin = 2.28023843988047 | erot = 3.11357086039974 | epot = -23.0617618407572 | etot = -17.667952540477 -35000 ekin = 2.88795920533174 | erot = 1.81662227096289 | epot = -23.1342233361349 | etot = -18.4296418598403 -36000 ekin = 2.40018487148211 | erot = 2.59182059399979 | epot = -23.2153198761915 | etot = -18.2233144107096 -37000 ekin = 2.22699211630433 | erot = 1.73889017332475 | epot = -23.2291614908027 | etot = -19.2632792011737 -38000 ekin = 2.13593461964592 | erot = 3.07590136326315 | epot = -23.1607724763685 | etot = -17.9489364934594 -39000 ekin = 2.08839393640823 | erot = 2.80471150509566 | epot = -23.1352878747759 | etot = -18.242182433272 -40000 ekin = 2.94982054413846 | erot = 2.19484102372241 | epot = -23.1842229043853 | etot = -18.0395613365244 -41000 ekin = 2.47855373480179 | erot = 3.46795094832272 | epot = -23.1698888629099 | etot = -17.2233841797854 -42000 ekin = 2.57225931171306 | erot = 3.11160980977123 | epot = -23.0914425999525 | etot = -17.4075734784682 -43000 ekin = 2.16695829201326 | erot = 2.67063324875935 | epot = -22.9841690345739 | etot = -18.1465774938013 -44000 ekin = 2.3251045436594 | erot = 3.31069456451415 | epot = -22.9099977707014 | etot = -17.2741986625279 -45000 ekin = 1.8593572517472 | erot = 3.48256913429864 | epot = -22.7853293556222 | etot = -17.4434029695763 -46000 ekin = 2.59906260222481 | erot = 2.2320785378511 | epot = -22.67184319375 | etot = -17.8407020536741 -47000 ekin = 1.90419350976819 | erot = 3.39352467596445 | epot = -22.5624536061979 | etot = -17.2647354204652 -48000 ekin = 2.46191536162942 | erot = 2.50024189038397 | epot = -22.5888330081063 | etot = -17.6266757560929 -49000 ekin = 3.18008619674969 | erot = 2.18329398142911 | epot = -22.6110647388652 | etot = -17.2476845606864 -50000 ekin = 2.92380640638812 | erot = 1.5483538313346 | epot = -22.6682279672282 | etot = -18.1960677295054 -51000 ekin = 2.8672950322524 | erot = 2.67529217516736 | epot = -22.6748886664557 | etot = -17.132301459036 -52000 ekin = 2.30283827457733 | erot = 1.82645474029551 | epot = -22.6607030819086 | etot = -18.5314100670358 -53000 ekin = 3.18697616339314 | erot = 1.6721126504968 | epot = -22.7158951183044 | etot = -17.8568063044145 -54000 ekin = 2.63274995193147 | erot = 1.96664130685842 | epot = -22.7877787224364 | etot = -18.1883874636465 -55000 ekin = 3.18311630681889 | erot = 2.85127254864952 | epot = -22.8390589862477 | etot = -16.8046701307793 -56000 ekin = 2.55275960671528 | erot = 3.05720384772626 | epot = -22.8187750450683 | etot = -17.2088115906267 -57000 ekin = 2.43682051944964 | erot = 3.45782031837858 | epot = -22.7770565571277 | etot = -16.8824157192995 -58000 ekin = 1.93888380963701 | erot = 2.51321017005837 | epot = -22.7135987564736 | etot = -18.2615047767782 -59000 ekin = 2.5584899615086 | erot = 3.52166542523796 | epot = -22.6623202639297 | etot = -16.5821648771831 -60000 ekin = 2.80661395039301 | erot = 2.89055248290058 | epot = -22.5801959967487 | etot = -16.8830295634551 -61000 ekin = 2.68598657973729 | erot = 2.54741083070049 | epot = -22.4806361765055 | etot = -17.2472387660677 -62000 ekin = 2.74493324548126 | erot = 2.23648307303268 | epot = -22.4129547813458 | etot = -17.4315384628319 -63000 ekin = 2.65627195091607 | erot = 2.46107949280746 | epot = -22.3986334001314 | etot = -17.2812819564079 -64000 ekin = 2.12379240032878 | erot = 2.79203441675509 | epot = -22.3495990435982 | etot = -17.4337722265143 -65000 ekin = 1.86782238979936 | erot = 2.70277079938777 | epot = -22.3710220966341 | etot = -17.8004289074469 -66000 ekin = 2.74983103317414 | erot = 1.93532287297332 | epot = -22.3642892005434 | etot = -17.679135294396 -67000 ekin = 2.51092055125345 | erot = 2.46618624666166 | epot = -22.3997780561407 | etot = -17.4226712582256 -68000 ekin = 2.95469759114171 | erot = 1.97026833535318 | epot = -22.465077041847 | etot = -17.5401111153521 -69000 ekin = 2.60179538487172 | erot = 2.27022574694886 | epot = -22.4013876082185 | etot = -17.529366476398 -70000 ekin = 2.38624525335422 | erot = 2.82124637267727 | epot = -22.3329612644328 | etot = -17.1254696384013 -71000 ekin = 2.6264191985346 | erot = 2.8933242992384 | epot = -22.3324946257813 | etot = -16.8127511280083 -72000 ekin = 2.93199679301318 | erot = 2.83600213853039 | epot = -22.4418753486332 | etot = -16.6738764170896 -73000 ekin = 2.20521324648382 | erot = 3.05063841714452 | epot = -22.5078076718832 | etot = -17.2519560082549 -74000 ekin = 2.16594519672766 | erot = 2.82993872672919 | epot = -22.5187768617569 | etot = -17.5228929383001 -75000 ekin = 1.52753824412461 | erot = 1.91758574309004 | epot = -22.6434864113427 | etot = -19.198362424128 -76000 ekin = 1.89477517532867 | erot = 2.83145375092216 | epot = -22.7507099037207 | etot = -18.0244809774698 -77000 ekin = 2.84722966394523 | erot = 3.20523918524772 | epot = -22.8263123696514 | etot = -16.7738435204584 -78000 ekin = 2.44900478430451 | erot = 2.80964787966681 | epot = -22.811923730311 | etot = -17.5532710663397 -79000 ekin = 2.16549328835507 | erot = 1.67531288307153 | epot = -22.8278994273521 | etot = -18.9870932559255 -80000 ekin = 2.38929173610466 | erot = 2.5835599737549 | epot = -22.7453472674482 | etot = -17.7724955575887 -81000 ekin = 2.74182188149 | erot = 1.92580771183152 | epot = -22.6872721828912 | etot = -18.0196425895697 -82000 ekin = 1.90254633515813 | erot = 1.70958501101744 | epot = -22.5904815431895 | etot = -18.9783501970139 -83000 ekin = 1.63862423461032 | erot = 1.87668722448406 | epot = -22.5030898166236 | etot = -18.9877783575292 -84000 ekin = 1.65768128899531 | erot = 2.10186039233844 | epot = -22.4199436013011 | etot = -18.6604019199674 -85000 ekin = 2.40787065796921 | erot = 2.04965431830703 | epot = -22.3401854879212 | etot = -17.882660511645 -86000 ekin = 2.51073542405177 | erot = 1.79768841940749 | epot = -22.3948638623201 | etot = -18.0864400188608 -87000 ekin = 2.13729284484532 | erot = 1.97886338867606 | epot = -22.4457225556766 | etot = -18.3295663221553 -88000 ekin = 1.7511616822056 | erot = 2.36434608342923 | epot = -22.4232555875235 | etot = -18.3077478218887 -89000 ekin = 1.85498863251071 | erot = 3.29466014836524 | epot = -22.4615925106509 | etot = -17.3119437297749 -90000 ekin = 2.22730928223451 | erot = 2.36761183779185 | epot = -22.5498488806969 | etot = -17.9549277606706 -91000 ekin = 2.40026068010467 | erot = 3.13124542611032 | epot = -22.5445138059197 | etot = -17.0130076997047 -92000 ekin = 2.69184894487886 | erot = 3.01111638487596 | epot = -22.5488335054242 | etot = -16.8458681756694 -93000 ekin = 3.04452081584098 | erot = 3.02893158250343 | epot = -22.4857514998612 | etot = -16.4122991015168 -94000 ekin = 3.21054020599498 | erot = 1.87554208928456 | epot = -22.58235617796 | etot = -17.4962738826805 -95000 ekin = 3.49164555041805 | erot = 2.891072597541 | epot = -22.651746211573 | etot = -16.269028063614 -96000 ekin = 2.89611459837769 | erot = 2.3840369162805 | epot = -22.6376886129393 | etot = -17.3575370982811 -97000 ekin = 1.94001816357314 | erot = 2.09603205774619 | epot = -22.6212143095229 | etot = -18.5851640882036 -98000 ekin = 2.21812472183551 | erot = 3.66512951907027 | epot = -22.540020786367 | etot = -16.6567665454612 -99000 ekin = 1.96304801418099 | erot = 2.78092002528642 | epot = -22.4500077741119 | etot = -17.7060397346445 -100000 ekin = 1.78146596589238 | erot = 2.66087063973067 | epot = -22.380628502186 | etot = -17.9382918965629 -101000 ekin = 2.13576431486591 | erot = 2.39189697670581 | epot = -22.3671198416411 | etot = -17.8394585500694 -102000 ekin = 1.54265458925823 | erot = 2.31301627489862 | epot = -22.3596033820569 | etot = -18.5039325179 -103000 ekin = 1.6493299781162 | erot = 2.8270014677761 | epot = -22.4044472055819 | etot = -17.9281157596896 -104000 ekin = 1.88425130865015 | erot = 3.36695629589131 | epot = -22.4614117565727 | etot = -17.2102041520312 -105000 ekin = 2.0873628063424 | erot = 1.99902589912496 | epot = -22.4857870795246 | etot = -18.3993983740573 -106000 ekin = 2.85192200005482 | erot = 1.96124421177816 | epot = -22.4885148263279 | etot = -17.6753486144949 -107000 ekin = 2.27699301124082 | erot = 1.54572940373457 | epot = -22.4328687856414 | etot = -18.610146370666 -108000 ekin = 2.43341212242249 | erot = 1.71014523953267 | epot = -22.4750159709764 | etot = -18.3314586090212 -109000 ekin = 2.3240302459673 | erot = 2.92730273400666 | epot = -22.454444740465 | etot = -17.203111760491 -110000 ekin = 2.75939007795593 | erot = 2.37261248457831 | epot = -22.4066316113364 | etot = -17.2746290488021 -111000 ekin = 2.30202775259985 | erot = 2.09098171366695 | epot = -22.340628179725 | etot = -17.9476187134582 -112000 ekin = 2.89672803093986 | erot = 1.84536318388285 | epot = -22.189229344937 | etot = -17.4471381301143 -113000 ekin = 2.80286812020301 | erot = 1.68317583122193 | epot = -22.1739192926258 | etot = -17.6878753412008 -114000 ekin = 3.41134331362354 | erot = 2.66279011393035 | epot = -22.2993892060878 | etot = -16.225255778534 -115000 ekin = 3.04096848543599 | erot = 1.72164164793761 | epot = -22.3101669297006 | etot = -17.547556796327 -116000 ekin = 3.18249263106367 | erot = 3.2187278057963 | epot = -22.376612031037 | etot = -15.975391594177 -117000 ekin = 3.04033644338919 | erot = 2.41632774149289 | epot = -22.3406101341932 | etot = -16.8839459493112 -118000 ekin = 3.22976632794611 | erot = 1.46870208555872 | epot = -22.262910646297 | etot = -17.5644422327922 -119000 ekin = 2.35815331598994 | erot = 3.0746467591689 | epot = -22.21629705762 | etot = -16.7834969824611 -120000 ekin = 1.93901604028919 | erot = 2.21087803685819 | epot = -22.1596747789505 | etot = -18.0097807018031 -121000 ekin = 1.9479198834689 | erot = 3.06697908719323 | epot = -22.1473490758083 | etot = -17.1324501051462 -122000 ekin = 1.69642311218451 | erot = 1.71065948591523 | epot = -22.235021693017 | etot = -18.8279390949172 -123000 ekin = 1.74537927001903 | erot = 2.31042772730644 | epot = -22.3250546948603 | etot = -18.2692476975348 -124000 ekin = 2.74229806685693 | erot = 1.94346011848798 | epot = -22.3376426377462 | etot = -17.6518844524013 -125000 ekin = 2.7762803161376 | erot = 1.95737420539166 | epot = -22.3561899601979 | etot = -17.6225354386687 -126000 ekin = 2.05898577806786 | erot = 1.47493157618748 | epot = -22.3918669376121 | etot = -18.8579495833568 -127000 ekin = 1.88620727578863 | erot = 1.58698481884328 | epot = -22.3753405588623 | etot = -18.9021484642304 -128000 ekin = 1.65027256647601 | erot = 1.87589048163674 | epot = -22.3576574967822 | etot = -18.8314944486694 -129000 ekin = 2.51771860981078 | erot = 2.38745668871878 | epot = -22.3622404512641 | etot = -17.4570651527345 -130000 ekin = 1.60778116741171 | erot = 2.81983062254804 | epot = -22.3043401463427 | etot = -17.8767283563829 -131000 ekin = 2.27966529707091 | erot = 2.29465997580787 | epot = -22.1860056729234 | etot = -17.6116804000446 -132000 ekin = 2.94605151024306 | erot = 2.34727265039698 | epot = -22.1004107829513 | etot = -16.8070866223112 -133000 ekin = 2.00184520718143 | erot = 2.13597622566091 | epot = -22.0860804435183 | etot = -17.948259010676 -134000 ekin = 1.54536260297594 | erot = 2.86019181856985 | epot = -22.0324797134652 | etot = -17.6269252919194 -135000 ekin = 1.7899169229158 | erot = 2.40585579784187 | epot = -22.0564792277569 | etot = -17.8607065069993 -136000 ekin = 1.63315069688348 | erot = 2.13968964990471 | epot = -22.0645410751456 | etot = -18.2917007283574 -137000 ekin = 2.36475220491125 | erot = 1.9307510547685 | epot = -22.101884847306 | etot = -17.8063815876263 -138000 ekin = 2.9554682114977 | erot = 1.58329215843879 | epot = -22.1589207193491 | etot = -17.6201603494126 -139000 ekin = 3.18559985564368 | erot = 2.24978247982886 | epot = -22.2766713145626 | etot = -16.84128897909 -140000 ekin = 2.25331500051846 | erot = 3.04264261269698 | epot = -22.4413209794808 | etot = -17.1453633662654 -141000 ekin = 1.8939664036255 | erot = 3.12730191483889 | epot = -22.6943708703896 | etot = -17.6731025519252 -142000 ekin = 2.48698722341786 | erot = 2.50204475841096 | epot = -22.8022645411413 | etot = -17.8132325593125 -143000 ekin = 2.39031114354902 | erot = 2.72027514737476 | epot = -22.7789363640122 | etot = -17.6683500730884 -144000 ekin = 1.93009742932804 | erot = 2.68112648713777 | epot = -22.6600942975093 | etot = -18.0488703810435 -145000 ekin = 1.81543048110687 | erot = 1.73927524532866 | epot = -22.6290694904769 | etot = -19.0743637640414 -146000 ekin = 2.4125202126428 | erot = 2.08569022934172 | epot = -22.5607640770181 | etot = -18.0625536350336 -147000 ekin = 1.44642974398304 | erot = 1.86921415702346 | epot = -22.4437745695726 | etot = -19.1281306685661 -148000 ekin = 1.94224767107088 | erot = 2.57935525538891 | epot = -22.4110987100047 | etot = -17.8894957835449 -149000 ekin = 2.03195649040454 | erot = 3.31786202502785 | epot = -22.312227106758 | etot = -16.9624085913257 -150000 ekin = 2.47792894576432 | erot = 2.68612874200304 | epot = -22.1392843642773 | etot = -16.97522667651 -151000 ekin = 2.75692645092955 | erot = 1.8812256584813 | epot = -21.9329416416723 | etot = -17.2947895322614 -152000 ekin = 2.7753834344323 | erot = 1.78115734250796 | epot = -21.7450724909841 | etot = -17.1885317140438 -153000 ekin = 3.09316888168833 | erot = 1.80744228044955 | epot = -21.6451473427313 | etot = -16.7445361805934 -154000 ekin = 2.31433640945477 | erot = 2.19304386678895 | epot = -21.5946356595637 | etot = -17.08725538332 -155000 ekin = 1.94169881401553 | erot = 2.67959698479411 | epot = -21.6941053409437 | etot = -17.072809542134 -156000 ekin = 2.69151609119638 | erot = 2.25048211983204 | epot = -21.7610571974251 | etot = -16.8190589863967 -157000 ekin = 3.89507004263776 | erot = 2.74501587672577 | epot = -21.8157728797743 | etot = -15.1756869604107 -158000 ekin = 2.88173407476086 | erot = 2.69702262693025 | epot = -21.8854957137509 | etot = -16.3067390120598 -159000 ekin = 3.15173323195918 | erot = 2.6174347371013 | epot = -21.8245251626835 | etot = -16.055357193623 -160000 ekin = 2.54983562435716 | erot = 3.26037467643909 | epot = -21.8527884226329 | etot = -16.0425781218367 -161000 ekin = 2.47569624391789 | erot = 2.4441841652721 | epot = -21.7973550812187 | etot = -16.8774746720287 -162000 ekin = 2.94228722137381 | erot = 2.59784970938384 | epot = -21.7813251561029 | etot = -16.2411882253452 -163000 ekin = 3.25812805712344 | erot = 2.25239331007842 | epot = -21.8200893075211 | etot = -16.3095679403192 -164000 ekin = 3.52786799143084 | erot = 2.22392713421412 | epot = -21.7646946348872 | etot = -16.0128995092423 -165000 ekin = 2.47839548873418 | erot = 2.58744140761169 | epot = -21.6790952945041 | etot = -16.6132583981583 -166000 ekin = 2.14435847552792 | erot = 3.04732688845808 | epot = -21.6219995979977 | etot = -16.4303142340117 -167000 ekin = 2.77664659649902 | erot = 2.89037999868329 | epot = -21.5339928834654 | etot = -15.8669662882831 -168000 ekin = 1.74464407802389 | erot = 2.78052653338966 | epot = -21.4288999288375 | etot = -16.903729317424 -169000 ekin = 1.8068912909333 | erot = 2.46391033708928 | epot = -21.4128285618694 | etot = -17.1420269338468 -170000 ekin = 1.69498145941511 | erot = 2.88911238881156 | epot = -21.4319269866204 | etot = -16.8478331383937 -171000 ekin = 2.15326316196646 | erot = 1.6134654780187 | epot = -21.2861470779284 | etot = -17.5194184379432 -172000 ekin = 1.67904916339532 | erot = 2.36509147316374 | epot = -21.1250864759441 | etot = -17.080945839385 -173000 ekin = 2.05349972960735 | erot = 2.18864665107749 | epot = -21.0744450592631 | etot = -16.8322986785783 -174000 ekin = 2.49402795941962 | erot = 3.1039231700088 | epot = -20.9332609664625 | etot = -15.335309837034 -175000 ekin = 2.60611029063986 | erot = 2.90993176119179 | epot = -20.8533230180669 | etot = -15.3372809662352 -176000 ekin = 2.14535974511638 | erot = 2.6771051102154 | epot = -20.8508037764829 | etot = -16.0283389211512 -177000 ekin = 2.82654664242577 | erot = 2.8064781965732 | epot = -20.9303681620826 | etot = -15.2973433230837 -178000 ekin = 3.17006270723388 | erot = 1.88204403688962 | epot = -21.0665744865168 | etot = -16.0144677423933 -179000 ekin = 2.33834827123179 | erot = 2.84870047825868 | epot = -21.1082901606944 | etot = -15.9212414112039 -180000 ekin = 2.39362550925046 | erot = 2.94575326168225 | epot = -21.1089731290028 | etot = -15.7695943580701 -181000 ekin = 2.78703231260152 | erot = 3.29998898392533 | epot = -21.0761138110654 | etot = -14.9890925145385 -182000 ekin = 3.023383912392 | erot = 2.3253310746288 | epot = -21.0444377426861 | etot = -15.6957227556653 -183000 ekin = 2.44126401356994 | erot = 2.19853056632819 | epot = -20.8846280234405 | etot = -16.2448334435424 -184000 ekin = 2.56448211253962 | erot = 2.77267067014069 | epot = -20.6657911214549 | etot = -15.3286383387746 -185000 ekin = 2.16427057092672 | erot = 1.95880146934287 | epot = -20.5647658775173 | etot = -16.4416938372477 -186000 ekin = 2.06536030915311 | erot = 3.1459346313777 | epot = -20.4537584304771 | etot = -15.2424634899463 -187000 ekin = 2.43846121057803 | erot = 1.93593042270706 | epot = -20.4775765627296 | etot = -16.1031849294445 -188000 ekin = 2.28827356508696 | erot = 2.89699235589217 | epot = -20.6028880527163 | etot = -15.4176221317372 -189000 ekin = 1.67206333515897 | erot = 3.05807378739725 | epot = -20.6184572736204 | etot = -15.8883201510642 -190000 ekin = 1.96995062226967 | erot = 2.943019674394 | epot = -20.6150380630742 | etot = -15.7020677664105 -191000 ekin = 2.31558303301195 | erot = 2.65062200614568 | epot = -20.5845049099943 | etot = -15.6182998708366 -192000 ekin = 3.58105122568799 | erot = 2.89866835149673 | epot = -20.5550364560059 | etot = -14.0753168788212 -193000 ekin = 2.69738971383614 | erot = 3.08390984677749 | epot = -20.5718609412494 | etot = -14.7905613806358 -194000 ekin = 2.65963556416735 | erot = 2.28486501061266 | epot = -20.4488832942326 | etot = -15.5043827194525 -195000 ekin = 1.85289053427901 | erot = 2.65318671222086 | epot = -20.3816844231207 | etot = -15.8756071766209 -196000 ekin = 2.28257181147918 | erot = 2.31175601065464 | epot = -20.4051132325268 | etot = -15.810785410393 -197000 ekin = 2.49770460330585 | erot = 2.55587879440512 | epot = -20.4716020539923 | etot = -15.4180186562813 -198000 ekin = 2.01700960777428 | erot = 1.51922008609382 | epot = -20.4907970823155 | etot = -16.9545673884474 -199000 ekin = 1.50027537520987 | erot = 2.19604462463445 | epot = -20.5138434458212 | etot = -16.8175234459769 -200000 ekin = 1.64850512926723 | erot = 2.45966335482571 | epot = -20.4934420686449 | etot = -16.385273584552 -201000 ekin = 2.62997533994907 | erot = 2.61637339049483 | epot = -20.5569645618355 | etot = -15.3106158313916 -202000 ekin = 2.30895175475241 | erot = 2.55653293887659 | epot = -20.6262537118088 | etot = -15.7607690181798 -203000 ekin = 1.64768887888552 | erot = 2.11556417528284 | epot = -20.6617888215465 | etot = -16.8985357673782 -204000 ekin = 2.01924097320136 | erot = 1.97748949636931 | epot = -20.7002685556681 | etot = -16.7035380860975 -205000 ekin = 2.97656554045711 | erot = 3.25408007971553 | epot = -20.9425038008424 | etot = -14.7118581806697 -206000 ekin = 2.56613069661945 | erot = 2.2162424422446 | epot = -21.0621833598182 | etot = -16.2798102209542 -207000 ekin = 3.44850636848559 | erot = 2.48816050856267 | epot = -21.2038849430866 | etot = -15.2672180660384 -208000 ekin = 2.54208934028226 | erot = 2.22605232144503 | epot = -21.3476404533667 | etot = -16.5794987916394 -209000 ekin = 3.84151461096732 | erot = 2.16534559513904 | epot = -21.4932373455843 | etot = -15.486377139478 -210000 ekin = 3.06873591712904 | erot = 2.24760815652572 | epot = -21.6427793540355 | etot = -16.3264352803807 -211000 ekin = 1.64176280869923 | erot = 2.17721976802013 | epot = -21.8130439048271 | etot = -17.9940613281078 -212000 ekin = 2.5985934050661 | erot = 2.41520703335867 | epot = -21.9964648294562 | etot = -16.9826643910315 -213000 ekin = 2.51136104390039 | erot = 1.99503544560739 | epot = -22.161492842604 | etot = -17.6550963530962 -214000 ekin = 2.77089845962619 | erot = 3.17247228684199 | epot = -22.208715104286 | etot = -16.2653443578179 -215000 ekin = 2.53408528186206 | erot = 1.84963848601796 | epot = -22.1148567901871 | etot = -17.7311330223071 -216000 ekin = 2.52671619876928 | erot = 2.77873014449688 | epot = -22.1370884570131 | etot = -16.8316421137469 -217000 ekin = 2.50171921508545 | erot = 1.89238935467003 | epot = -22.226079201001 | etot = -17.8319706312455 -218000 ekin = 2.43936294263937 | erot = 2.41974828067302 | epot = -22.2447049583244 | etot = -17.385593735012 -219000 ekin = 2.30221269367205 | erot = 2.65120674162377 | epot = -22.2807164841742 | etot = -17.3272970488784 -220000 ekin = 1.70065256620687 | erot = 2.34758543213917 | epot = -22.2809933538228 | etot = -18.2327553554767 -221000 ekin = 2.09298237125575 | erot = 2.4788648159591 | epot = -22.267957001012 | etot = -17.6961098137972 -222000 ekin = 1.58469709510937 | erot = 2.14490786301286 | epot = -22.1867412404881 | etot = -18.4571362823659 -223000 ekin = 1.83926923346352 | erot = 1.89456034969536 | epot = -22.131893392038 | etot = -18.3980638088791 -224000 ekin = 2.59583657132575 | erot = 2.93869915115498 | epot = -22.1425986650605 | etot = -16.6080629425798 -225000 ekin = 3.29351563254165 | erot = 2.84339535814139 | epot = -22.12757310355 | etot = -15.990662112867 -226000 ekin = 3.03135339447922 | erot = 2.08293143143603 | epot = -22.15283624886 | etot = -17.0385514229448 -227000 ekin = 2.50176282992082 | erot = 3.15084128846394 | epot = -22.2250438959745 | etot = -16.5724397775897 -228000 ekin = 2.32013498351673 | erot = 2.67554406359434 | epot = -22.3177515383564 | etot = -17.3220724912453 -229000 ekin = 2.89545450975318 | erot = 2.90735055857064 | epot = -22.4361496683347 | etot = -16.6333446000109 -230000 ekin = 2.28321229485933 | erot = 3.48420465632866 | epot = -22.548785995051 | etot = -16.781369043863 -231000 ekin = 2.0778632375453 | erot = 3.1067397369644 | epot = -22.5896609633152 | etot = -17.4050579888055 -232000 ekin = 2.1202374109541 | erot = 1.98747810033065 | epot = -22.5738924334392 | etot = -18.4661769221544 -233000 ekin = 2.33571877855589 | erot = 2.83585090202734 | epot = -22.5402065195541 | etot = -17.3686368389708 -234000 ekin = 2.10578223747154 | erot = 2.07381218733635 | epot = -22.5507693150832 | etot = -18.3711748902754 -235000 ekin = 2.44321041214394 | erot = 2.80846352304316 | epot = -22.5606929563186 | etot = -17.3090190211315 -236000 ekin = 2.93630791731799 | erot = 3.06315918531728 | epot = -22.4860653874721 | etot = -16.4865982848368 -237000 ekin = 3.21264879506079 | erot = 3.26866508478298 | epot = -22.3683553437861 | etot = -15.8870414639423 -238000 ekin = 2.46595539123277 | erot = 2.32502019506662 | epot = -22.3144456769666 | etot = -17.5234700906672 -239000 ekin = 2.10325864915823 | erot = 2.47631139904042 | epot = -22.301139292181 | etot = -17.7215692439824 -240000 ekin = 1.77270999777839 | erot = 2.60141429112663 | epot = -22.2344206081543 | etot = -17.8602963192493 -241000 ekin = 1.94952922244078 | erot = 1.39715216866763 | epot = -22.2207225048761 | etot = -18.8740411137677 -242000 ekin = 3.05687991591411 | erot = 2.00862394928705 | epot = -22.2213200390943 | etot = -17.1558161738932 -243000 ekin = 2.86735711945299 | erot = 1.7994811867468 | epot = -22.2697610280427 | etot = -17.6029227218429 -244000 ekin = 2.00525854269389 | erot = 2.36445341214556 | epot = -22.2726788994494 | etot = -17.90296694461 -245000 ekin = 2.28011102404838 | erot = 2.787005205328 | epot = -22.2995433574618 | etot = -17.2324271280854 -246000 ekin = 2.06819738789813 | erot = 2.24624952782284 | epot = -22.2551680110137 | etot = -17.9407210952928 -247000 ekin = 1.69964711256213 | erot = 3.22260619239826 | epot = -22.1916408256116 | etot = -17.2693875206512 -248000 ekin = 1.92997585194759 | erot = 3.61155944514366 | epot = -22.0096484177852 | etot = -16.468113120694 -249000 ekin = 2.16278530892653 | erot = 3.27771891456707 | epot = -21.8856058980726 | etot = -16.445101674579 -250000 ekin = 2.32204054211025 | erot = 2.46317574116849 | epot = -21.8028762710591 | etot = -17.0176599877804 -251000 ekin = 1.23768964067255 | erot = 2.241505337621 | epot = -21.7630657074039 | etot = -18.2838707291104 -252000 ekin = 1.79818833522214 | erot = 2.12556386664128 | epot = -21.7586349357284 | etot = -17.834882733865 -253000 ekin = 2.12809689846393 | erot = 2.59685639208403 | epot = -21.7226495687757 | etot = -16.9976962782278 -254000 ekin = 2.46813261968533 | erot = 2.00391812662871 | epot = -21.7113918037362 | etot = -17.2393410574221 -255000 ekin = 2.31566729087291 | erot = 2.03619058028117 | epot = -21.7265453183256 | etot = -17.3746874471715 -256000 ekin = 2.87223929491326 | erot = 2.61790933826622 | epot = -21.659332511914 | etot = -16.1691838787345 -257000 ekin = 2.85756762932926 | erot = 2.08174673916199 | epot = -21.6161821054731 | etot = -16.6768677369818 -258000 ekin = 2.06111021157734 | erot = 2.32748664972428 | epot = -21.5132485706726 | etot = -17.124651709371 -259000 ekin = 2.23305784057759 | erot = 2.88843859953736 | epot = -21.5040039667854 | etot = -16.3825075266705 -260000 ekin = 2.49862397932476 | erot = 2.3833688584839 | epot = -21.488210637319 | etot = -16.6062177995103 -261000 ekin = 2.09280296934734 | erot = 2.39632540029206 | epot = -21.4325331777953 | etot = -16.9434048081559 -262000 ekin = 2.33576913564289 | erot = 2.67273419354396 | epot = -21.3832241450035 | etot = -16.3747208158166 -263000 ekin = 2.20536189489354 | erot = 2.71530627040564 | epot = -21.4329409070981 | etot = -16.5122727417989 -264000 ekin = 2.2858247573423 | erot = 2.76839346219662 | epot = -21.3931084431599 | etot = -16.338890223621 -265000 ekin = 1.70928536820409 | erot = 1.79395423442895 | epot = -21.2682341921474 | etot = -17.7649945895143 -266000 ekin = 2.48721735474525 | erot = 2.08745460533225 | epot = -21.1746995817337 | etot = -16.6000276216562 -267000 ekin = 2.69283567987773 | erot = 2.10301910407212 | epot = -21.1705161290062 | etot = -16.3746613450563 -268000 ekin = 3.00000233743719 | erot = 2.80954585635721 | epot = -21.1647521126509 | etot = -15.3552039188565 -269000 ekin = 3.50713810468527 | erot = 2.35763817348002 | epot = -21.1537110688983 | etot = -15.288934790733 -270000 ekin = 3.50686942248863 | erot = 1.86462765875889 | epot = -21.1925508822801 | etot = -15.8210538010326 -271000 ekin = 3.57026082273992 | erot = 2.08172467795388 | epot = -21.277581718294 | etot = -15.6255962176003 -272000 ekin = 2.4484752533773 | erot = 3.08466485039763 | epot = -21.3619851902072 | etot = -15.8288450864322 -273000 ekin = 2.39748176307242 | erot = 3.1335505044672 | epot = -21.4386234252579 | etot = -15.9075911577183 -274000 ekin = 2.48208144431864 | erot = 2.00552494041966 | epot = -21.4476232953882 | etot = -16.9600169106499 -275000 ekin = 2.4872108114937 | erot = 3.05413598233607 | epot = -21.4713984309062 | etot = -15.9300516370765 -276000 ekin = 2.82709589676966 | erot = 2.88384306577857 | epot = -21.443459011816 | etot = -15.7325200492678 -277000 ekin = 2.23479555963312 | erot = 2.20310851955639 | epot = -21.3883073251199 | etot = -16.9504032459304 -278000 ekin = 2.81418916407429 | erot = 3.24537052192614 | epot = -21.3155364074003 | etot = -15.2559767213999 -279000 ekin = 2.57366525203698 | erot = 1.81705578305929 | epot = -21.2862101233851 | etot = -16.8954890882888 -280000 ekin = 2.41063464320149 | erot = 1.76282693004732 | epot = -21.254962528096 | etot = -17.0815009548472 -281000 ekin = 2.58126226070487 | erot = 2.29258221702168 | epot = -21.306394928225 | etot = -16.4325504504985 -282000 ekin = 3.02016903398222 | erot = 2.4309452389034 | epot = -21.4340900724633 | etot = -15.9829757995777 -283000 ekin = 2.5926914979033 | erot = 2.11330689541034 | epot = -21.6296517079942 | etot = -16.9236533146805 -284000 ekin = 2.51704243107537 | erot = 3.13156683036759 | epot = -21.7452694753527 | etot = -16.0966602139097 -285000 ekin = 2.4236537221525 | erot = 1.77228258125505 | epot = -21.8557019037769 | etot = -17.6597656003694 -286000 ekin = 1.94467195521662 | erot = 2.03660974116722 | epot = -21.901435736722 | etot = -17.9201540403382 -287000 ekin = 2.56319670376176 | erot = 2.60867050510154 | epot = -21.9067509934901 | etot = -16.7348837846268 -288000 ekin = 2.19574207425736 | erot = 1.69805542160022 | epot = -21.8143855675961 | etot = -17.9205880717385 -289000 ekin = 2.35326278833023 | erot = 1.65840109676148 | epot = -21.6976038565285 | etot = -17.6859399714368 -290000 ekin = 2.35194561775041 | erot = 1.99444238353745 | epot = -21.6551012116075 | etot = -17.3087132103196 -291000 ekin = 1.48585281531713 | erot = 2.66475825861556 | epot = -21.56036793472 | etot = -17.4097568607873 -292000 ekin = 2.1073994475645 | erot = 2.42809824662638 | epot = -21.4451596117638 | etot = -16.9096619175729 -293000 ekin = 2.11618090223715 | erot = 1.86694554151196 | epot = -21.3593625692768 | etot = -17.3762361255277 -294000 ekin = 2.06078090566327 | erot = 2.13941873359473 | epot = -21.232623310094 | etot = -17.032423670836 -295000 ekin = 2.11467178034796 | erot = 2.32673436675183 | epot = -21.1123588667461 | etot = -16.6709527196463 -296000 ekin = 1.53087058859334 | erot = 2.94008409149154 | epot = -21.2112197533848 | etot = -16.7402650732999 -297000 ekin = 2.52732986791201 | erot = 2.18380855337859 | epot = -21.1955190508786 | etot = -16.484380629588 -298000 ekin = 1.89033945823201 | erot = 2.02521913176003 | epot = -21.2593750718295 | etot = -17.3438164818375 -299000 ekin = 1.87142873048437 | erot = 1.6640456322155 | epot = -21.2919162310488 | etot = -17.7564418683489 -300000 ekin = 2.23872615546785 | erot = 1.50807257618898 | epot = -21.3339204593826 | etot = -17.5871217277257 -301000 ekin = 1.99965506724556 | erot = 2.00145094516845 | epot = -21.4707589194324 | etot = -17.4696529070184 -302000 ekin = 1.76370349732521 | erot = 2.2378770890149 | epot = -21.5675275978257 | etot = -17.5659470114856 -303000 ekin = 2.69610887251788 | erot = 1.69957221429742 | epot = -21.5563765448091 | etot = -17.1606954579938 -304000 ekin = 2.55447143501921 | erot = 2.02060813090351 | epot = -21.5692327321341 | etot = -16.9941531662114 -305000 ekin = 2.38230604232715 | erot = 2.31489374428117 | epot = -21.5335950166329 | etot = -16.8363952300246 -306000 ekin = 2.07785475765117 | erot = 2.45230660685968 | epot = -21.4550895345846 | etot = -16.9249281700738 -307000 ekin = 3.17130424567277 | erot = 3.29574614566804 | epot = -21.4151535289883 | etot = -14.9481031376475 -308000 ekin = 3.40959217051674 | erot = 2.68389483402971 | epot = -21.4778643688409 | etot = -15.3843773642944 -309000 ekin = 2.36068264180093 | erot = 2.91715332823343 | epot = -21.5794336507741 | etot = -16.3015976807397 -310000 ekin = 2.49952357229221 | erot = 2.3602895089614 | epot = -21.5982142524176 | etot = -16.738401171164 -311000 ekin = 2.53288726180907 | erot = 2.29596940545853 | epot = -21.6418553661547 | etot = -16.8129986988871 -312000 ekin = 2.05123272208704 | erot = 2.92023923411836 | epot = -21.7377547517075 | etot = -16.7662827955021 -313000 ekin = 1.80834719374889 | erot = 2.29357283142128 | epot = -21.7993116362532 | etot = -17.697391611083 -314000 ekin = 2.30684015099018 | erot = 2.20859462712275 | epot = -21.8029398081388 | etot = -17.2875050300258 -315000 ekin = 1.86413924486173 | erot = 2.14748794238473 | epot = -21.8550418960799 | etot = -17.8434147088335 -316000 ekin = 2.20558056533516 | erot = 3.03447287931581 | epot = -21.8868412075708 | etot = -16.6467877629199 -317000 ekin = 2.4782093112548 | erot = 3.56870099099487 | epot = -21.9902146748518 | etot = -15.9433043726022 -318000 ekin = 2.36582343801679 | erot = 3.01887804681551 | epot = -22.1178732891163 | etot = -16.7331718042839 -319000 ekin = 2.40464629760758 | erot = 3.15910789488741 | epot = -22.2289401281564 | etot = -16.6651859356615 -320000 ekin = 1.80206494109346 | erot = 2.83527990295433 | epot = -22.3120263401861 | etot = -17.6746814961383 -321000 ekin = 2.91146951948762 | erot = 2.25772268449837 | epot = -22.3029455835946 | etot = -17.1337533796087 -322000 ekin = 2.8226351296685 | erot = 2.67950826833979 | epot = -22.3041650189947 | etot = -16.8020216209864 -323000 ekin = 2.067323568424 | erot = 2.31975284775299 | epot = -22.3338840353559 | etot = -17.9468076191789 -324000 ekin = 2.6012747278288 | erot = 2.58351861537749 | epot = -22.3215168526943 | etot = -17.1367235094881 -325000 ekin = 3.45560055552842 | erot = 2.50162515355503 | epot = -22.1825527777624 | etot = -16.2253270686789 -326000 ekin = 3.51422890604519 | erot = 2.8442606101801 | epot = -22.0201095272524 | etot = -15.6616200110271 -327000 ekin = 2.63551490316294 | erot = 2.20570805472232 | epot = -21.9384479867006 | etot = -17.0972250288154 -328000 ekin = 1.8043914440792 | erot = 2.37599512200969 | epot = -21.8619803976419 | etot = -17.681593831553 -329000 ekin = 2.15766181563134 | erot = 2.45286496267961 | epot = -21.8518523862111 | etot = -17.2413256079002 -330000 ekin = 1.8483425992464 | erot = 2.03367429366602 | epot = -21.7684095252419 | etot = -17.8863926323295 -331000 ekin = 2.3531484336258 | erot = 1.80165819621477 | epot = -21.7197009414848 | etot = -17.5648943116442 -332000 ekin = 1.67855936307207 | erot = 2.53341219651311 | epot = -21.733643435588 | etot = -17.5216718760028 -333000 ekin = 1.60376334688456 | erot = 2.14058675025446 | epot = -21.835637958395 | etot = -18.091287861256 -334000 ekin = 2.2655199008178 | erot = 2.62486254825417 | epot = -21.879497107847 | etot = -16.989114658775 -335000 ekin = 2.91208137486082 | erot = 3.11052870452009 | epot = -21.9161692767171 | etot = -15.8935591973362 -336000 ekin = 2.73132973682385 | erot = 2.56213100489405 | epot = -21.8312488568505 | etot = -16.5377881151326 -337000 ekin = 3.15411918141902 | erot = 3.875128198312 | epot = -21.9061152574783 | etot = -14.8768678777473 -338000 ekin = 2.33141760424507 | erot = 2.13211945089679 | epot = -21.913746111238 | etot = -17.4502090560961 -339000 ekin = 1.71915361945718 | erot = 2.31270220754042 | epot = -21.9042074773719 | etot = -17.8723516503743 -340000 ekin = 1.62199393011805 | erot = 3.16990972384469 | epot = -21.8898233676231 | etot = -17.0979197136604 -341000 ekin = 1.71588704296646 | erot = 3.17642860992462 | epot = -21.8345558128149 | etot = -16.9422401599238 -342000 ekin = 1.82178091247658 | erot = 2.58875985611025 | epot = -21.7161502950572 | etot = -17.3056095264704 -343000 ekin = 3.08559255942693 | erot = 2.94813449265469 | epot = -21.7030445300996 | etot = -15.669317478018 -344000 ekin = 2.95985387154984 | erot = 3.11547515850352 | epot = -21.681548329552 | etot = -15.6062192994986 -345000 ekin = 2.33428072266864 | erot = 2.8804443128302 | epot = -21.6567075042343 | etot = -16.4419824687354 -346000 ekin = 2.02077664062698 | erot = 3.45936833964706 | epot = -21.5877268821218 | etot = -16.1075819018477 -347000 ekin = 2.34924784800441 | erot = 1.93056350805623 | epot = -21.4896151766054 | etot = -17.2098038205448 -348000 ekin = 2.79839267202794 | erot = 2.79408776517961 | epot = -21.4682057474677 | etot = -15.8757253102602 -349000 ekin = 2.33820470114615 | erot = 3.12966318670512 | epot = -21.5603039389198 | etot = -16.0924360510685 -350000 ekin = 2.22383234890832 | erot = 2.3888687038801 | epot = -21.5375784703117 | etot = -16.9248774175232 -351000 ekin = 2.33329735253339 | erot = 2.84447430695177 | epot = -21.5078106306152 | etot = -16.33003897113 -352000 ekin = 2.74923373919409 | erot = 2.76796181793622 | epot = -21.5537134920816 | etot = -16.0365179349513 -353000 ekin = 1.76111836153718 | erot = 2.12255592617517 | epot = -21.5037017999955 | etot = -17.6200275122832 -354000 ekin = 2.29967358188085 | erot = 2.37615363620183 | epot = -21.559257977819 | etot = -16.8834307597363 -355000 ekin = 2.32956787601564 | erot = 2.41406261152025 | epot = -21.5311925684016 | etot = -16.7875620808657 -356000 ekin = 2.99536507165416 | erot = 3.01337867890171 | epot = -21.461213826164 | etot = -15.4524700756081 -357000 ekin = 1.79487551861702 | erot = 2.1478177575683 | epot = -21.4425100027869 | etot = -17.4998167266015 -358000 ekin = 2.06856992699964 | erot = 1.91585051553708 | epot = -21.4597512525557 | etot = -17.475330810019 -359000 ekin = 2.03457633089973 | erot = 2.13725650388116 | epot = -21.4345843672419 | etot = -17.2627515324611 -360000 ekin = 2.64289898809605 | erot = 2.45722294398596 | epot = -21.3798303659972 | etot = -16.2797084339152 -361000 ekin = 2.44681633772951 | erot = 2.40323525392196 | epot = -21.4535746870957 | etot = -16.6035230954443 -362000 ekin = 2.27284400709389 | erot = 2.04866562998477 | epot = -21.4444048899961 | etot = -17.1228952529174 -363000 ekin = 3.23945885057604 | erot = 1.79247859381385 | epot = -21.4992698914106 | etot = -16.4673324470207 -364000 ekin = 3.01124200487832 | erot = 2.16495867321709 | epot = -21.5330648567406 | etot = -16.3568641786452 -365000 ekin = 2.51472285580871 | erot = 2.29864111879032 | epot = -21.6252096459668 | etot = -16.8118456713678 -366000 ekin = 2.59356655410024 | erot = 2.21031948632571 | epot = -21.6397726115723 | etot = -16.8358865711463 -367000 ekin = 2.23422490605625 | erot = 1.85375489374337 | epot = -21.7036464131406 | etot = -17.615666613341 -368000 ekin = 2.4774770785368 | erot = 2.36511710555107 | epot = -21.7442459693683 | etot = -16.9016517852804 -369000 ekin = 2.03854183495617 | erot = 2.80790943599038 | epot = -21.8295461127419 | etot = -16.9830948417954 -370000 ekin = 2.08495509326203 | erot = 2.15717784784086 | epot = -21.8579547558588 | etot = -17.6158218147559 -371000 ekin = 2.1649158804987 | erot = 2.10731342711639 | epot = -21.7507302872469 | etot = -17.4785009796318 -372000 ekin = 1.83416420958724 | erot = 1.90082367490456 | epot = -21.6784224725519 | etot = -17.9434345880601 -373000 ekin = 1.97176482573297 | erot = 1.7779600789095 | epot = -21.6393712386778 | etot = -17.8896463340353 -374000 ekin = 2.89940710658305 | erot = 1.91194262525378 | epot = -21.5337545453635 | etot = -16.7224048135267 -375000 ekin = 2.32339676163341 | erot = 1.92362318361284 | epot = -21.421709102519 | etot = -17.1746891572728 -376000 ekin = 2.59047552311153 | erot = 2.32394149083979 | epot = -21.4139727856534 | etot = -16.4995557717021 -377000 ekin = 2.24598863840517 | erot = 1.65770205797294 | epot = -21.3405339068232 | etot = -17.4368432104451 -378000 ekin = 2.38351514056703 | erot = 2.54156262207208 | epot = -21.3122380587448 | etot = -16.3871602961057 -379000 ekin = 2.08457212928957 | erot = 2.11819645676891 | epot = -21.2663127721437 | etot = -17.0635441860852 -380000 ekin = 2.62168026009058 | erot = 2.36576073073355 | epot = -21.2469701231191 | etot = -16.259529132295 -381000 ekin = 2.42554871977307 | erot = 2.21588725182519 | epot = -21.2594018196931 | etot = -16.6179658480948 -382000 ekin = 2.04454090532122 | erot = 3.35199327879854 | epot = -21.3507561156203 | etot = -15.9542219315006 -383000 ekin = 2.5775676978984 | erot = 1.58356833947096 | epot = -21.4206473136967 | etot = -17.2595112763273 -384000 ekin = 2.32411392435712 | erot = 2.07034159075991 | epot = -21.4254017003271 | etot = -17.0309461852101 -385000 ekin = 1.93815279071873 | erot = 3.2997037447625 | epot = -21.4993838182002 | etot = -16.2615272827189 -386000 ekin = 2.10645704249442 | erot = 2.94380940917573 | epot = -21.5050572923383 | etot = -16.4547908406681 -387000 ekin = 2.28625118399722 | erot = 2.40488022694899 | epot = -21.4350466670762 | etot = -16.74391525613 -388000 ekin = 2.84183807689895 | erot = 2.72440789072404 | epot = -21.448767296848 | etot = -15.882521329225 -389000 ekin = 3.39750799106376 | erot = 3.08194517695383 | epot = -21.6559630447603 | etot = -15.1765098767427 -390000 ekin = 2.82211920760118 | erot = 2.04880343622588 | epot = -21.7229608878358 | etot = -16.8520382440088 -391000 ekin = 2.25113345866118 | erot = 2.45876014532077 | epot = -21.7793475672487 | etot = -17.0694539632668 -392000 ekin = 2.6777973992177 | erot = 2.7527860471579 | epot = -21.9200377033298 | etot = -16.4894542569542 -393000 ekin = 2.07336639249412 | erot = 1.66102921524042 | epot = -22.0500496423093 | etot = -18.3156540345748 -394000 ekin = 2.1138614951422 | erot = 2.4065490584156 | epot = -22.0647062581752 | etot = -17.5442957046174 -395000 ekin = 2.46967791557608 | erot = 2.46187607744979 | epot = -22.0113006362931 | etot = -17.0797466432672 -396000 ekin = 3.17858061422169 | erot = 1.60030928107608 | epot = -21.9570022338792 | etot = -17.1781123385814 -397000 ekin = 2.37483507726777 | erot = 2.17387816921976 | epot = -21.8769234701934 | etot = -17.3282102237059 -398000 ekin = 2.29815779154461 | erot = 2.20148627030488 | epot = -21.8293641014529 | etot = -17.3297200396034 -399000 ekin = 2.66620669497936 | erot = 2.78316441348841 | epot = -21.7420307764657 | etot = -16.2926596679979 -400000 ekin = 1.8196142363994 | erot = 2.77573291920481 | epot = -21.7225828560707 | etot = -17.1272357004665 -401000 ekin = 2.39347596566752 | erot = 3.11237720134103 | epot = -21.763219812775 | etot = -16.2573666457665 -402000 ekin = 4.0137909252526 | erot = 3.58756310879366 | epot = -21.6952307126455 | etot = -14.0938766785993 -403000 ekin = 3.6423872335827 | erot = 3.44210139074532 | epot = -21.6932224157202 | etot = -14.6087337913922 -404000 ekin = 2.52116102522202 | erot = 2.99286839639892 | epot = -21.7395466120138 | etot = -16.2255171903929 -405000 ekin = 2.80514548558626 | erot = 3.09807228440151 | epot = -21.809681120553 | etot = -15.9064633505652 -406000 ekin = 2.32696376764902 | erot = 2.03572639782902 | epot = -21.9111381639248 | etot = -17.5484479984467 -407000 ekin = 2.33504128016394 | erot = 1.91320949168965 | epot = -21.9359478399847 | etot = -17.6876970681311 -408000 ekin = 1.90942025822264 | erot = 2.20375631379572 | epot = -21.9849314014527 | etot = -17.8717548294343 -409000 ekin = 1.98818542800297 | erot = 1.95540808206522 | epot = -22.03783497597 | etot = -18.0942414659018 -410000 ekin = 1.59823476401333 | erot = 1.9127296785249 | epot = -22.0830507565095 | etot = -18.5720863139713 -411000 ekin = 1.87320182179615 | erot = 2.46575148951074 | epot = -22.1911106440467 | etot = -17.8521573327398 -412000 ekin = 2.51909186028136 | erot = 2.65534868642726 | epot = -22.281680067606 | etot = -17.1072395208973 -413000 ekin = 2.80929435327118 | erot = 3.19888285052217 | epot = -22.190767996874 | etot = -16.1825907930807 -414000 ekin = 2.79014519733558 | erot = 2.72515195410933 | epot = -22.1448630242429 | etot = -16.629565872798 -415000 ekin = 2.4678901908732 | erot = 2.24891720770208 | epot = -22.1977268949424 | etot = -17.4809194963671 -416000 ekin = 3.30766536008867 | erot = 1.55878918639504 | epot = -22.1694878213559 | etot = -17.3030332748721 -417000 ekin = 3.95074944679109 | erot = 2.44780201516574 | epot = -22.1018895242094 | etot = -15.7033380622526 -418000 ekin = 2.77340936693416 | erot = 2.68993840817536 | epot = -21.977327562767 | etot = -16.5139797876575 -419000 ekin = 2.38275203991917 | erot = 2.97769109273479 | epot = -21.9010102007428 | etot = -16.5405670680889 -420000 ekin = 1.80397709765343 | erot = 1.82715488758969 | epot = -21.8849019003165 | etot = -18.2537699150733 -421000 ekin = 1.36681295471101 | erot = 1.76825921584578 | epot = -21.8412237154645 | etot = -18.7061515449077 -422000 ekin = 1.39959702132374 | erot = 2.73409619318274 | epot = -21.8826128255667 | etot = -17.7489196110602 -423000 ekin = 1.56944982840735 | erot = 3.0745352163647 | epot = -21.9154707534762 | etot = -17.2714857087042 -424000 ekin = 2.37132681302185 | erot = 2.02827700625919 | epot = -21.9855473914522 | etot = -17.5859435721711 -425000 ekin = 2.32398819807537 | erot = 2.54492547738624 | epot = -22.0336841510595 | etot = -17.1647704755979 -426000 ekin = 2.07554577000492 | erot = 3.12289746501957 | epot = -21.9790717327511 | etot = -16.7806284977266 -427000 ekin = 2.16798189989515 | erot = 2.43592804982976 | epot = -21.8725998895963 | etot = -17.2686899398714 -428000 ekin = 1.81044953925647 | erot = 1.65104945142325 | epot = -21.8530279543937 | etot = -18.391528963714 -429000 ekin = 1.67107266086147 | erot = 2.55773576228634 | epot = -21.8100708745401 | etot = -17.5812624513923 -430000 ekin = 2.68478182527405 | erot = 2.86091245076365 | epot = -21.8410586042845 | etot = -16.2953643282468 -431000 ekin = 2.77628795576833 | erot = 1.57824702797161 | epot = -21.8242269586438 | etot = -17.4696919749038 -432000 ekin = 2.50950337424058 | erot = 1.60698871193856 | epot = -21.7274714752277 | etot = -17.6109793890485 -433000 ekin = 1.86271272714812 | erot = 2.49153826331594 | epot = -21.7782989349596 | etot = -17.4240479444956 -434000 ekin = 2.89451059329443 | erot = 2.7999871143393 | epot = -21.9094190496406 | etot = -16.2149213420069 -435000 ekin = 3.67276301290157 | erot = 1.38568900942255 | epot = -22.090314852724 | etot = -17.0318628303999 -436000 ekin = 3.05559930935247 | erot = 2.0011229579365 | epot = -22.0922696682969 | etot = -17.0355474010079 -437000 ekin = 3.23217703427564 | erot = 1.78362343665461 | epot = -22.1039224603628 | etot = -17.0881219894326 -438000 ekin = 2.86284068923964 | erot = 1.84512171996301 | epot = -22.0628669955697 | etot = -17.3549045863671 -439000 ekin = 2.41223300999623 | erot = 2.70115548536557 | epot = -22.0444627048546 | etot = -16.9310742094928 -440000 ekin = 2.21861950215059 | erot = 3.01743511618684 | epot = -22.068610200563 | etot = -16.8325555822256 -441000 ekin = 2.8932616531564 | erot = 2.87922265473726 | epot = -22.2016049433916 | etot = -16.4291206354979 -442000 ekin = 2.05577486002272 | erot = 1.73545040283799 | epot = -22.2600410881766 | etot = -18.4688158253159 -443000 ekin = 1.86487220517439 | erot = 2.00809914782698 | epot = -22.2983494418706 | etot = -18.4253780888692 -444000 ekin = 2.06067323986939 | erot = 2.15338745019835 | epot = -22.3098473137383 | etot = -18.0957866236705 -445000 ekin = 2.10070768344239 | erot = 2.28023429868874 | epot = -22.3660019273286 | etot = -17.9850599451974 -446000 ekin = 2.41985050727236 | erot = 2.85361119161167 | epot = -22.3957509332304 | etot = -17.1222892343463 -447000 ekin = 2.19943989168951 | erot = 2.98216128214708 | epot = -22.469110173424 | etot = -17.2875089995874 -448000 ekin = 2.35402217188592 | erot = 2.94501347240091 | epot = -22.4864294789763 | etot = -17.1873938346895 -449000 ekin = 2.39054827328709 | erot = 2.92846006473406 | epot = -22.4970387577705 | etot = -17.1780304197493 -450000 ekin = 1.87726152618207 | erot = 1.69631154300644 | epot = -22.4508394587929 | etot = -18.8772663896044 -451000 ekin = 2.02069736260971 | erot = 1.92749635252742 | epot = -22.4770058621559 | etot = -18.5288121470188 -452000 ekin = 1.3666953525299 | erot = 1.87120912975428 | epot = -22.4460428971841 | etot = -19.2081384149 -453000 ekin = 2.05921418622385 | erot = 2.5605072573601 | epot = -22.2726167353286 | etot = -17.6528952917446 -454000 ekin = 1.47363002563146 | erot = 2.19122966699538 | epot = -22.1344003551401 | etot = -18.4695406625132 -455000 ekin = 1.65421215030224 | erot = 2.72189882576686 | epot = -21.9866163127307 | etot = -17.6105053366616 -456000 ekin = 2.34716429715612 | erot = 2.00764007623841 | epot = -21.90677470961 | etot = -17.5519703362155 -457000 ekin = 2.01303704889081 | erot = 2.37161581638612 | epot = -21.8782315807472 | etot = -17.4935787154703 -458000 ekin = 1.72808196373504 | erot = 2.26329030421536 | epot = -21.9079500000029 | etot = -17.9165777320525 -459000 ekin = 2.48364348461731 | erot = 2.3240575427801 | epot = -21.9914965936289 | etot = -17.1837955662315 -460000 ekin = 2.18803460742775 | erot = 2.0007959749913 | epot = -21.9555607076499 | etot = -17.7667301252308 -461000 ekin = 2.27712563450181 | erot = 2.90158501178946 | epot = -21.8847407992378 | etot = -16.7060301529466 -462000 ekin = 2.61279319699133 | erot = 1.79745093921971 | epot = -21.9114284731883 | etot = -17.5011843369773 -463000 ekin = 2.55747204597719 | erot = 3.31219898146397 | epot = -21.8470352327239 | etot = -15.9773642052827 -464000 ekin = 2.15349343963234 | erot = 2.38948322569807 | epot = -21.7801403318396 | etot = -17.2371636665092 -465000 ekin = 2.52543530387722 | erot = 3.61347339076555 | epot = -21.7051172971457 | etot = -15.5662086025029 -466000 ekin = 1.97908646325563 | erot = 2.88692153825727 | epot = -21.7203160444827 | etot = -16.8543080429698 -467000 ekin = 1.62854081734785 | erot = 2.60873315907749 | epot = -21.8060801677334 | etot = -17.568806191308 -468000 ekin = 1.09788716658785 | erot = 3.35078825295795 | epot = -21.8502881604262 | etot = -17.4016127408804 -469000 ekin = 1.70264661426319 | erot = 2.75879477289509 | epot = -21.8645169837194 | etot = -17.4030755965612 -470000 ekin = 1.85887711900485 | erot = 2.87063120254238 | epot = -21.9016760852734 | etot = -17.1721677637262 -471000 ekin = 2.74433347072485 | erot = 2.34940159205027 | epot = -21.9525184591591 | etot = -16.858783396384 -472000 ekin = 2.71861698075021 | erot = 2.13574138468281 | epot = -22.043139657379 | etot = -17.188781291946 -473000 ekin = 2.29393586139762 | erot = 2.07602652007348 | epot = -22.0689471201827 | etot = -17.6989847387116 -474000 ekin = 2.22698015950102 | erot = 2.16459704058481 | epot = -22.0688687972932 | etot = -17.6772915972074 -475000 ekin = 2.49778963349321 | erot = 2.09516395035673 | epot = -22.0493844866031 | etot = -17.4564309027531 -476000 ekin = 2.20247164730207 | erot = 1.76754680635174 | epot = -21.9411609048438 | etot = -17.97114245119 -477000 ekin = 2.45858206017653 | erot = 2.38436547911607 | epot = -21.9035926873371 | etot = -17.0606451480445 -478000 ekin = 1.89904313419097 | erot = 2.04852868041729 | epot = -21.9098024820003 | etot = -17.962230667392 -479000 ekin = 2.27135244904339 | erot = 3.08753180553182 | epot = -21.8855782232971 | etot = -16.5266939687219 -480000 ekin = 1.67006520289894 | erot = 2.76569589720094 | epot = -21.8952512589751 | etot = -17.4594901588753 -481000 ekin = 1.81868654589552 | erot = 2.9414708396822 | epot = -21.8556888607633 | etot = -17.0955314751856 -482000 ekin = 2.1529439710415 | erot = 2.07338062275435 | epot = -21.8139334476411 | etot = -17.5876088538453 -483000 ekin = 1.50003040241525 | erot = 1.99360891760259 | epot = -21.7830178599697 | etot = -18.2893785399518 -484000 ekin = 1.85249475505066 | erot = 2.33993365040866 | epot = -21.8601099434573 | etot = -17.667681537998 -485000 ekin = 1.64683537455249 | erot = 2.50435926395354 | epot = -21.8955949997619 | etot = -17.7444003612559 -486000 ekin = 1.86105919233017 | erot = 2.15998603169225 | epot = -21.8866198023574 | etot = -17.865574578335 -487000 ekin = 2.34642746027526 | erot = 3.11621484615889 | epot = -21.9694478483786 | etot = -16.5068055419444 -488000 ekin = 2.27477353342506 | erot = 3.28151732893999 | epot = -21.9413870028191 | etot = -16.3850961404541 -489000 ekin = 2.38811670508139 | erot = 2.56075035711346 | epot = -21.8588712340667 | etot = -16.9100041718718 -490000 ekin = 2.12967761012957 | erot = 3.54527785345187 | epot = -21.7605939508001 | etot = -16.0856384872187 -491000 ekin = 2.20842614718126 | erot = 2.48924156347248 | epot = -21.6457265496381 | etot = -16.9480588389844 -492000 ekin = 2.4395254440209 | erot = 2.76330603967686 | epot = -21.6220324898892 | etot = -16.4192010061915 -493000 ekin = 1.79410073842211 | erot = 2.29051754332657 | epot = -21.6936080215355 | etot = -17.6089897397868 -494000 ekin = 2.11540109224087 | erot = 3.01314449614681 | epot = -21.7627418159279 | etot = -16.6341962275402 -495000 ekin = 2.15696781071045 | erot = 2.49003984864576 | epot = -21.8774411430157 | etot = -17.2304334836595 -496000 ekin = 2.06056419551912 | erot = 2.60700167900217 | epot = -21.9267578866096 | etot = -17.2591920120883 -497000 ekin = 2.52230078856674 | erot = 1.71004976105951 | epot = -21.8761278437228 | etot = -17.6437772940965 -498000 ekin = 2.15386519150084 | erot = 1.7877582493135 | epot = -21.8235168200552 | etot = -17.8818933792409 -499000 ekin = 3.01273208137282 | erot = 1.73929065213249 | epot = -21.8383204837321 | etot = -17.0862977502268 -500000 ekin = 2.76627013489254 | erot = 2.50177083221038 | epot = -21.8296477468867 | etot = -16.5616067797838 -501000 ekin = 2.69354090483081 | erot = 2.99040340411742 | epot = -21.7028439088855 | etot = -16.0188995999373 -502000 ekin = 1.91653635860025 | erot = 3.89816773432919 | epot = -21.583432763767 | etot = -15.7687286708375 -503000 ekin = 1.8049945577739 | erot = 2.94458962426212 | epot = -21.4077198882804 | etot = -16.6581357062444 -504000 ekin = 1.7007501283395 | erot = 3.04308257832265 | epot = -21.3303407289238 | etot = -16.5865080222617 -505000 ekin = 2.75938082804563 | erot = 2.14633054935697 | epot = -21.3513040286372 | etot = -16.4455926512346 -506000 ekin = 2.29721513417039 | erot = 2.04407050893762 | epot = -21.3782890727133 | etot = -17.0370034296053 -507000 ekin = 3.17630328091397 | erot = 2.42168869077952 | epot = -21.4719630820982 | etot = -15.8739711104047 -508000 ekin = 2.53585993010305 | erot = 2.52795056175584 | epot = -21.6289259001545 | etot = -16.5651154082956 -509000 ekin = 2.12729637924758 | erot = 2.83075478444603 | epot = -21.7770419169527 | etot = -16.8189907532591 -510000 ekin = 2.16130107435063 | erot = 1.4474002808625 | epot = -21.865058134686 | etot = -18.2563567794729 -511000 ekin = 2.54314403873699 | erot = 2.77114415578344 | epot = -21.9659487167511 | etot = -16.6516605222306 -512000 ekin = 2.32805620618464 | erot = 2.80390129625045 | epot = -22.0162636771922 | etot = -16.8843061747571 -513000 ekin = 2.47643071154241 | erot = 2.16996908181989 | epot = -22.0068700128127 | etot = -17.3604702194504 -514000 ekin = 2.76735167549093 | erot = 2.5560945093739 | epot = -22.0884785602195 | etot = -16.7650323753546 -515000 ekin = 2.52241002891622 | erot = 1.82421001167332 | epot = -22.1699357425315 | etot = -17.8233157019419 -516000 ekin = 2.81865025814532 | erot = 2.22273296296804 | epot = -22.2611246405327 | etot = -17.2197414194194 -517000 ekin = 2.03359359720563 | erot = 2.04941720296977 | epot = -22.2784200990267 | etot = -18.1954092988513 -518000 ekin = 2.18715182081959 | erot = 2.76009656526116 | epot = -22.2656600846347 | etot = -17.3184116985539 -519000 ekin = 2.23054901776311 | erot = 2.23031226848963 | epot = -22.3630341627209 | etot = -17.9021728764682 -520000 ekin = 1.88803088032302 | erot = 2.2011880193367 | epot = -22.4543549024555 | etot = -18.3651360027958 -521000 ekin = 2.5788145021642 | erot = 1.87212358693392 | epot = -22.6061072334407 | etot = -18.1551691443426 -522000 ekin = 3.47616129908058 | erot = 1.7772453643546 | epot = -22.6845102288213 | etot = -17.4311035653861 -523000 ekin = 2.84567111920743 | erot = 2.47541358851175 | epot = -22.7265847722155 | etot = -17.4055000644963 -524000 ekin = 2.40295627946642 | erot = 2.37521730874542 | epot = -22.6625181827119 | etot = -17.8843445945001 -525000 ekin = 1.59533356282023 | erot = 2.61484336640372 | epot = -22.5609538171745 | etot = -18.3507768879506 -526000 ekin = 1.67014109396784 | erot = 1.59576537490726 | epot = -22.5093055920857 | etot = -19.2433991232106 -527000 ekin = 2.19651674150708 | erot = 1.9334689520564 | epot = -22.416637825963 | etot = -18.2866521323995 -528000 ekin = 2.6388100641198 | erot = 2.84216954327882 | epot = -22.4260162554832 | etot = -16.9450366480846 -529000 ekin = 2.71709856246059 | erot = 3.01205775167426 | epot = -22.459718422821 | etot = -16.7305621086861 -530000 ekin = 2.59661785995463 | erot = 2.1317538383576 | epot = -22.3199904037947 | etot = -17.5916187054825 -531000 ekin = 2.96824333148625 | erot = 2.35839785116796 | epot = -22.2231381817491 | etot = -16.8964969990948 -532000 ekin = 2.54395795354125 | erot = 2.32264886366187 | epot = -22.2374166013869 | etot = -17.3708097841837 -533000 ekin = 2.47227506927642 | erot = 2.96338827195566 | epot = -22.2425022915258 | etot = -16.8068389502938 -534000 ekin = 2.10485521169123 | erot = 2.03890745270192 | epot = -22.2614710403225 | etot = -18.1177083759294 -535000 ekin = 3.7681160256911 | erot = 2.64691499190425 | epot = -22.2333123161884 | etot = -15.8182812985931 -536000 ekin = 2.78942061222755 | erot = 1.95044966554667 | epot = -22.1701037207896 | etot = -17.4302334430154 -537000 ekin = 2.84557129562433 | erot = 2.62357964692973 | epot = -22.0783833655685 | etot = -16.6092324230145 -538000 ekin = 2.6762341850661 | erot = 2.08962851172352 | epot = -21.9551967105607 | etot = -17.1893340137711 -539000 ekin = 2.73042047481565 | erot = 2.35759238547273 | epot = -22.0351539405022 | etot = -16.9471410802139 -540000 ekin = 2.45519866431123 | erot = 2.4981181890662 | epot = -22.1989060513573 | etot = -17.2455891979799 -541000 ekin = 3.48278591732384 | erot = 2.77790849524953 | epot = -22.293113550245 | etot = -16.0324191376716 -542000 ekin = 2.48972545444614 | erot = 2.87329046778514 | epot = -22.2996895226973 | etot = -16.936673600466 -543000 ekin = 2.34702865402498 | erot = 2.86164606010259 | epot = -22.3019937721979 | etot = -17.0933190580704 -544000 ekin = 2.2292929238022 | erot = 1.46828563141241 | epot = -22.2750271034542 | etot = -18.5774485482396 -545000 ekin = 2.45402962478577 | erot = 2.14177155701245 | epot = -22.2689033162423 | etot = -17.6731021344441 -546000 ekin = 1.98437317503609 | erot = 2.24145066872857 | epot = -22.231451016773 | etot = -18.0056271730083 -547000 ekin = 2.56232506323983 | erot = 1.8957329416699 | epot = -22.2006739415904 | etot = -17.7426159366806 -548000 ekin = 1.72901692707454 | erot = 1.64127805124739 | epot = -22.1889928496838 | etot = -18.8186978713619 -549000 ekin = 1.95693771614146 | erot = 2.64543637333348 | epot = -22.3274020528097 | etot = -17.7250279633348 -550000 ekin = 1.80676199713794 | erot = 1.58556446355636 | epot = -22.4372723150787 | etot = -19.0449458543844 -551000 ekin = 2.19788558810888 | erot = 2.26343688446907 | epot = -22.4937724434742 | etot = -18.0324499708962 -552000 ekin = 2.07444206644618 | erot = 2.4924547779295 | epot = -22.5307066394854 | etot = -17.9638097951097 -553000 ekin = 2.94843364322829 | erot = 2.12309070437467 | epot = -22.5864397604241 | etot = -17.5149154128212 -554000 ekin = 2.8669013077969 | erot = 1.94289309717446 | epot = -22.7547133508173 | etot = -17.944918945846 -555000 ekin = 2.43109245651296 | erot = 2.28708567272124 | epot = -22.8403752960634 | etot = -18.1221971668292 -556000 ekin = 2.31020302439074 | erot = 2.55813703267857 | epot = -22.8772269218695 | etot = -18.0088868648002 -557000 ekin = 2.81362788715375 | erot = 1.42585523952483 | epot = -22.9385956569468 | etot = -18.6991125302682 -558000 ekin = 2.79708127877053 | erot = 1.99543683519586 | epot = -22.9818380573142 | etot = -18.1893199433478 -559000 ekin = 3.34838499070616 | erot = 2.30938187383097 | epot = -23.0552911748694 | etot = -17.3975243103323 -560000 ekin = 3.12573335081966 | erot = 2.33613155247371 | epot = -23.0531044936338 | etot = -17.5912395903404 -561000 ekin = 2.91265639708728 | erot = 2.07460770991413 | epot = -22.9816460067704 | etot = -17.994381899769 -562000 ekin = 3.33014108031755 | erot = 2.52217359738306 | epot = -22.8883444963189 | etot = -17.0360298186183 -563000 ekin = 2.70195061932616 | erot = 1.64767701341235 | epot = -22.8706676277187 | etot = -18.5210399949802 -564000 ekin = 2.82949746353249 | erot = 2.52900091959398 | epot = -22.838139252732 | etot = -17.4796408696055 -565000 ekin = 2.6799458842118 | erot = 2.05094178592405 | epot = -22.7931046586014 | etot = -18.0622169884655 -566000 ekin = 2.32981255203853 | erot = 2.16378765301413 | epot = -22.8021908760777 | etot = -18.308590671025 -567000 ekin = 1.92318241605807 | erot = 2.83258384518153 | epot = -22.7581760555384 | etot = -18.0024097942988 -568000 ekin = 2.17670374071095 | erot = 2.23391142490164 | epot = -22.7850730909043 | etot = -18.3744579252917 -569000 ekin = 2.44198813773898 | erot = 2.6516050247459 | epot = -22.7190926726892 | etot = -17.6254995102043 -570000 ekin = 2.43177788701191 | erot = 1.89766941909699 | epot = -22.6957241348109 | etot = -18.366276828702 -571000 ekin = 2.8616716748476 | erot = 2.96803868526251 | epot = -22.6955740677955 | etot = -16.8658637076854 -572000 ekin = 1.9266829320902 | erot = 3.79132932462474 | epot = -22.6581088104385 | etot = -16.9400965537235 -573000 ekin = 2.4014048576209 | erot = 2.29981222297848 | epot = -22.6359071074265 | etot = -17.9346900268271 -574000 ekin = 1.68882414912167 | erot = 2.32096306897647 | epot = -22.6777773313941 | etot = -18.667990113296 -575000 ekin = 1.85486724354783 | erot = 1.85639491114931 | epot = -22.7438316286092 | etot = -19.0325694739121 -576000 ekin = 3.24777117904094 | erot = 2.95566351376113 | epot = -22.6985695145043 | etot = -16.4951348217022 -577000 ekin = 2.89421636302283 | erot = 2.87485367144017 | epot = -22.6277887766954 | etot = -16.8587187422324 -578000 ekin = 2.40460139915755 | erot = 2.78214210780856 | epot = -22.4342254096835 | etot = -17.2474819027174 -579000 ekin = 2.40583592511148 | erot = 1.99558232802689 | epot = -22.2882462647013 | etot = -17.886828011563 -580000 ekin = 2.69821955230589 | erot = 1.94742609836086 | epot = -22.1748059732807 | etot = -17.529160322614 -581000 ekin = 2.06309002895042 | erot = 2.97622682023057 | epot = -22.0663831943618 | etot = -17.0270663451808 -582000 ekin = 2.33870950534172 | erot = 3.07899815689444 | epot = -21.9472197644711 | etot = -16.529512102235 -583000 ekin = 2.23417742887653 | erot = 2.68476937508274 | epot = -21.8372787545234 | etot = -16.9183319505641 -584000 ekin = 2.94315944829306 | erot = 2.59998006112943 | epot = -21.7510436245968 | etot = -16.2079041151743 -585000 ekin = 2.36063444131441 | erot = 2.49115855857339 | epot = -21.716664566375 | etot = -16.8648715664872 -586000 ekin = 3.56573478158494 | erot = 2.02491202456932 | epot = -21.7701198402972 | etot = -16.1794730341429 -587000 ekin = 3.53722517030309 | erot = 1.97258414970475 | epot = -21.7657911786969 | etot = -16.2559818586891 -588000 ekin = 2.82336660490038 | erot = 1.59341534726277 | epot = -21.7537853332811 | etot = -17.337003381118 -589000 ekin = 2.31627543989202 | erot = 2.20583300708156 | epot = -21.819159896967 | etot = -17.2970514499934 -590000 ekin = 2.5761147615757 | erot = 1.7276907576924 | epot = -21.8419599878986 | etot = -17.5381544686305 -591000 ekin = 1.914719960803 | erot = 3.80606547056266 | epot = -21.9343807003624 | etot = -16.2135952689968 -592000 ekin = 2.11220925054576 | erot = 2.84210516766061 | epot = -21.9632133143301 | etot = -17.0088988961237 -593000 ekin = 1.6646372491541 | erot = 2.46218741166836 | epot = -21.991443017852 | etot = -17.8646183570296 -594000 ekin = 1.86313837200261 | erot = 2.37277652331338 | epot = -22.1142340310892 | etot = -17.8783191357732 -595000 ekin = 1.63972261150116 | erot = 2.14970753455378 | epot = -22.2953930400735 | etot = -18.5059628940186 -596000 ekin = 1.86251521505325 | erot = 1.56938670177389 | epot = -22.4008561933212 | etot = -18.9689542764941 -597000 ekin = 2.21077278172449 | erot = 2.30873590521149 | epot = -22.4593134849654 | etot = -17.9398047980295 -598000 ekin = 1.86600453617805 | erot = 3.02313695685425 | epot = -22.5159510945793 | etot = -17.626809601547 -599000 ekin = 2.86269709275589 | erot = 2.19928983580779 | epot = -22.536034528565 | etot = -17.4740476000013 -600000 ekin = 2.65058373294182 | erot = 2.1453395725597 | epot = -22.4614831887335 | etot = -17.6655598832319 -601000 ekin = 2.97019047275319 | erot = 3.19822787132468 | epot = -22.326632736987 | etot = -16.1582143929091 -602000 ekin = 2.9342181584107 | erot = 2.68627396788675 | epot = -22.2239640230703 | etot = -16.6034718967729 -603000 ekin = 2.59879720190065 | erot = 2.71300694016987 | epot = -22.1699955907165 | etot = -16.8581914486459 -604000 ekin = 1.79062196644622 | erot = 2.11515604890805 | epot = -22.1925738415064 | etot = -18.2867958261521 -605000 ekin = 1.82915557452074 | erot = 2.27656815459633 | epot = -22.2178733165573 | etot = -18.1121495874403 -606000 ekin = 2.33864930282378 | erot = 2.20418036728506 | epot = -22.1612604193817 | etot = -17.6184307492728 -607000 ekin = 2.72666062231761 | erot = 2.97710490441868 | epot = -22.1567890421522 | etot = -16.453023515416 -608000 ekin = 2.45223782114265 | erot = 2.41233206147764 | epot = -22.1258176689204 | etot = -17.2612477863002 -609000 ekin = 1.9103123443041 | erot = 2.62713008552307 | epot = -22.0122680423109 | etot = -17.4748256124837 -610000 ekin = 3.01317318621525 | erot = 2.17099557280212 | epot = -21.9300149409222 | etot = -16.7458461819048 -611000 ekin = 2.44412474588955 | erot = 2.75159898142814 | epot = -21.9253433050474 | etot = -16.7296195777297 -612000 ekin = 2.50268974484936 | erot = 2.16817685060957 | epot = -21.9671518078452 | etot = -17.2962852123863 -613000 ekin = 3.01839912550875 | erot = 2.12784951047117 | epot = -22.0272786909971 | etot = -16.8810300550172 -614000 ekin = 2.25327082296097 | erot = 2.99336372547237 | epot = -22.0696405907525 | etot = -16.8230060423192 -615000 ekin = 1.66371843102219 | erot = 2.63618748290988 | epot = -21.9981136728369 | etot = -17.6982077589049 -616000 ekin = 1.8944933240536 | erot = 2.87324187406682 | epot = -22.0037089747212 | etot = -17.2359737766008 -617000 ekin = 2.14785470202862 | erot = 2.51246772527453 | epot = -22.0246986126974 | etot = -17.3643761853943 -618000 ekin = 3.11173481170738 | erot = 2.74375206798687 | epot = -21.9798263374349 | etot = -16.1243394577406 -619000 ekin = 3.41037360007647 | erot = 2.10617263526643 | epot = -21.9553411920504 | etot = -16.4387949567075 -620000 ekin = 4.28430201323245 | erot = 2.1957191595208 | epot = -21.90292903883 | etot = -15.4229078660767 -621000 ekin = 3.09569620704798 | erot = 2.5579200527576 | epot = -21.8282030152651 | etot = -16.1745867554595 -622000 ekin = 2.76028520250002 | erot = 2.60751645183696 | epot = -21.7454000468333 | etot = -16.3775983924963 -623000 ekin = 2.87264675196573 | erot = 2.90399328536428 | epot = -21.5847888275151 | etot = -15.8081487901851 -624000 ekin = 2.01886304134608 | erot = 3.41825628982886 | epot = -21.4089723845367 | etot = -15.9718530533618 -625000 ekin = 2.87961505977186 | erot = 2.69115058956302 | epot = -21.2853791748084 | etot = -15.7146135254735 -626000 ekin = 2.56085845515984 | erot = 2.15799783992829 | epot = -21.2323395606428 | etot = -16.5134832655546 -627000 ekin = 2.30201253530379 | erot = 2.40176180823354 | epot = -21.2927035084693 | etot = -16.588929164932 -628000 ekin = 2.23995601774104 | erot = 2.75333333919435 | epot = -21.455314974678 | etot = -16.4620256177426 -629000 ekin = 2.20895388847365 | erot = 1.97037787876407 | epot = -21.610417234146 | etot = -17.4310854669083 -630000 ekin = 2.4871462707876 | erot = 2.14054709042105 | epot = -21.6281308139011 | etot = -17.0004374526924 -631000 ekin = 2.05037159551177 | erot = 1.78517593497042 | epot = -21.6331433102589 | etot = -17.7975957797767 -632000 ekin = 1.65441370416735 | erot = 3.2831042715311 | epot = -21.6994880970176 | etot = -16.7619701213191 -633000 ekin = 2.34659059561855 | erot = 2.34109216039932 | epot = -21.8312685537372 | etot = -17.1435857977194 -634000 ekin = 2.31567788282477 | erot = 2.4712780706122 | epot = -21.8809017639924 | etot = -17.0939458105554 -635000 ekin = 1.99067051245485 | erot = 3.35494889731601 | epot = -21.9106362902055 | etot = -16.5650168804346 -636000 ekin = 2.50153790134664 | erot = 2.48847992577269 | epot = -21.8747399591398 | etot = -16.8847221320205 -637000 ekin = 2.76558020651622 | erot = 2.80411296109397 | epot = -21.7869209746905 | etot = -16.2172278070803 -638000 ekin = 2.45491140440701 | erot = 2.8151558595933 | epot = -21.8968446083607 | etot = -16.6267773443604 -639000 ekin = 1.89223426878329 | erot = 2.13319240780509 | epot = -21.9315821506475 | etot = -17.9061554740591 -640000 ekin = 2.12172894611398 | erot = 3.32302900673023 | epot = -21.8803218106497 | etot = -16.4355638578054 -641000 ekin = 2.09554513091345 | erot = 2.23099232244472 | epot = -21.9198354154709 | etot = -17.5932979621127 -642000 ekin = 2.28694261481673 | erot = 2.67379901999301 | epot = -21.9718627423438 | etot = -17.011121107534 -643000 ekin = 2.744472839192 | erot = 2.20403800092058 | epot = -21.9230235464268 | etot = -16.9745127063142 -644000 ekin = 2.87907701459995 | erot = 3.40687801628668 | epot = -21.9412616302816 | etot = -15.655306599395 -645000 ekin = 2.38281186883666 | erot = 2.10846097996387 | epot = -21.8300876925357 | etot = -17.3388148437352 -646000 ekin = 2.68568907435101 | erot = 1.80851531070158 | epot = -21.6847618262214 | etot = -17.1905574411688 -647000 ekin = 2.47722877856152 | erot = 2.03923301171106 | epot = -21.5874044483889 | etot = -17.0709426581163 -648000 ekin = 2.25562229204822 | erot = 1.67565814597326 | epot = -21.6993239289701 | etot = -17.7680434909486 -649000 ekin = 2.58610844989063 | erot = 1.77373064510098 | epot = -21.8575240187191 | etot = -17.4976849237275 -650000 ekin = 2.66588270497851 | erot = 2.18108360585018 | epot = -21.9508135981932 | etot = -17.1038472873645 -651000 ekin = 2.11913643076637 | erot = 3.26412345241467 | epot = -22.0193654333906 | etot = -16.6361055502095 -652000 ekin = 2.32941174826482 | erot = 2.30873319569133 | epot = -22.0419984408252 | etot = -17.4038534968691 -653000 ekin = 2.0648428652661 | erot = 2.14823788524201 | epot = -22.0572931422935 | etot = -17.8442123917854 -654000 ekin = 2.29862160782433 | erot = 1.85805598161352 | epot = -22.0910689230265 | etot = -17.9343913335886 -655000 ekin = 2.10941796901071 | erot = 1.77798843556509 | epot = -22.0694006428864 | etot = -18.1819942383106 -656000 ekin = 2.47625408636497 | erot = 2.33538026369006 | epot = -22.0466976130346 | etot = -17.2350632629796 -657000 ekin = 2.50533498663532 | erot = 2.85849882524471 | epot = -22.0769458799067 | etot = -16.7131120680267 -658000 ekin = 2.50225541618483 | erot = 2.85625932114156 | epot = -22.0511557631718 | etot = -16.6926410258454 -659000 ekin = 3.39371926051805 | erot = 2.76525782770508 | epot = -21.9060640783663 | etot = -15.7470869901432 -660000 ekin = 2.71591740302079 | erot = 2.00360570980063 | epot = -21.7628277690744 | etot = -17.043304656253 -661000 ekin = 2.22252752899417 | erot = 2.53760290280427 | epot = -21.6292254759783 | etot = -16.8690950441799 -662000 ekin = 2.05296914064405 | erot = 2.55185124215154 | epot = -21.5811922241459 | etot = -16.9763718413503 -663000 ekin = 2.25677932682754 | erot = 2.31580178345621 | epot = -21.5535923948076 | etot = -16.9810112845238 -664000 ekin = 2.34856452305364 | erot = 1.86775188552653 | epot = -21.4530740440284 | etot = -17.2367576354483 -665000 ekin = 2.63111504026501 | erot = 2.28726928484771 | epot = -21.3846024000308 | etot = -16.4662180749181 -666000 ekin = 1.64075072082918 | erot = 2.31336726697097 | epot = -21.2830441766066 | etot = -17.3289261888065 -667000 ekin = 1.67151341437157 | erot = 2.82297479485494 | epot = -21.1978062440647 | etot = -16.7033180348382 -668000 ekin = 2.49938009250085 | erot = 3.28711483409768 | epot = -21.0664148636443 | etot = -15.2799199370457 -669000 ekin = 1.62232962120344 | erot = 2.64367899162068 | epot = -20.9834308093409 | etot = -16.7174221965168 -670000 ekin = 2.22815723319758 | erot = 2.60319748550307 | epot = -20.9017148964281 | etot = -16.0703601777275 -671000 ekin = 2.27399198808932 | erot = 2.15907350601013 | epot = -20.8548869535533 | etot = -16.4218214594538 -672000 ekin = 1.96813107327782 | erot = 1.65324359657507 | epot = -20.772525080039 | etot = -17.1511504101861 -673000 ekin = 1.89901466802435 | erot = 2.07212800226185 | epot = -20.7410076393374 | etot = -16.7698649690512 -674000 ekin = 2.08208137777485 | erot = 2.16201236525253 | epot = -20.7653673426948 | etot = -16.5212735996674 -675000 ekin = 2.0453276771275 | erot = 2.48425879615287 | epot = -20.7843939429191 | etot = -16.2548074696387 -676000 ekin = 2.45143986767107 | erot = 2.78633106178593 | epot = -20.8123774066529 | etot = -15.5746064771959 -677000 ekin = 2.19157287399382 | erot = 2.62633282573085 | epot = -20.8265856172367 | etot = -16.008679917512 -678000 ekin = 2.13997346968594 | erot = 2.79122127613926 | epot = -20.7113565112497 | etot = -15.7801617654245 -679000 ekin = 2.16938962390632 | erot = 2.17589740910314 | epot = -20.6051510781816 | etot = -16.2598640451722 -680000 ekin = 2.08639324470195 | erot = 2.68206939589547 | epot = -20.6273390457908 | etot = -15.8588764051934 -681000 ekin = 2.17629732810903 | erot = 1.82420607644455 | epot = -20.7142689529019 | etot = -16.7137655483484 -682000 ekin = 3.02912978468384 | erot = 2.39650400849398 | epot = -20.6940095597209 | etot = -15.268375766543 -683000 ekin = 2.84669773609778 | erot = 2.0986204490286 | epot = -20.7021074415215 | etot = -15.7567892563951 -684000 ekin = 1.96664671503579 | erot = 2.99517270495454 | epot = -20.7465124798198 | etot = -15.7846930598294 -685000 ekin = 1.50234716171427 | erot = 2.04490190725428 | epot = -20.7574586814665 | etot = -17.2102096124979 -686000 ekin = 2.2983326300428 | erot = 2.55614840511419 | epot = -20.7458450763069 | etot = -15.8913640411499 -687000 ekin = 1.8557723170762 | erot = 2.84941631673454 | epot = -20.6738522345032 | etot = -15.9686636006925 -688000 ekin = 2.56405256659889 | erot = 2.23115057372413 | epot = -20.6302627184135 | etot = -15.8350595780904 -689000 ekin = 2.75063212318972 | erot = 2.68162291280505 | epot = -20.7838487483938 | etot = -15.351593712399 -690000 ekin = 2.6815028132868 | erot = 2.52132555802218 | epot = -21.0487980543157 | etot = -15.8459696830068 -691000 ekin = 2.29143802116346 | erot = 2.52222072052105 | epot = -21.2158695525349 | etot = -16.4022108108504 -692000 ekin = 2.4246270425625 | erot = 3.24973814883517 | epot = -21.2444446764855 | etot = -15.5700794850878 -693000 ekin = 2.38038731016142 | erot = 2.9968191678008 | epot = -21.3131544661847 | etot = -15.9359479882225 -694000 ekin = 2.69963794803277 | erot = 2.53306749808314 | epot = -21.5028226467206 | etot = -16.2701172006047 -695000 ekin = 2.49329729781653 | erot = 1.18245567143116 | epot = -21.6798414810252 | etot = -18.0040885117775 -696000 ekin = 1.86320369897189 | erot = 1.46627983716862 | epot = -21.665818352319 | etot = -18.3363348161785 -697000 ekin = 2.40483641810464 | erot = 2.10687269227545 | epot = -21.7015701067683 | etot = -17.1898609963882 -698000 ekin = 2.32104204819312 | erot = 1.91618970993301 | epot = -21.7674602711953 | etot = -17.5302285130692 -699000 ekin = 2.45122174410528 | erot = 2.56320773764919 | epot = -21.7532145628501 | etot = -16.7387850810956 -700000 ekin = 2.13478862711018 | erot = 2.28875108681682 | epot = -21.6619710583027 | etot = -17.2384313443757 -701000 ekin = 2.15430012038637 | erot = 2.18434613511233 | epot = -21.5402240218772 | etot = -17.2015777663785 -702000 ekin = 1.57710248759615 | erot = 1.99882868785594 | epot = -21.49627530475 | etot = -17.9203441292979 -703000 ekin = 2.08893022036769 | erot = 2.17530309960948 | epot = -21.5146124029064 | etot = -17.2503790829292 -704000 ekin = 2.82158558148019 | erot = 1.94529304578916 | epot = -21.5362273629372 | etot = -16.7693487356679 -705000 ekin = 2.80985515279542 | erot = 2.16764072993712 | epot = -21.4883886516798 | etot = -16.5108927689472 -706000 ekin = 1.97469093776246 | erot = 2.31446109128202 | epot = -21.4846235511326 | etot = -17.1954715220882 -707000 ekin = 1.90739234287698 | erot = 2.04402779053621 | epot = -21.5406324629157 | etot = -17.5892123295025 -708000 ekin = 2.48934210084869 | erot = 2.15886534084806 | epot = -21.5617376681341 | etot = -16.9135302264373 -709000 ekin = 2.88909793919243 | erot = 2.58134997867787 | epot = -21.6032655988125 | etot = -16.1328176809422 -710000 ekin = 2.18226376204308 | erot = 2.2781120102664 | epot = -21.5729606480227 | etot = -17.1125848757132 -711000 ekin = 2.31693491167058 | erot = 1.40165937970165 | epot = -21.59486559309 | etot = -17.8762713017178 -712000 ekin = 2.5598074081136 | erot = 2.27261456104693 | epot = -21.7093783142763 | etot = -16.8769563451158 -713000 ekin = 1.95731492543824 | erot = 2.3177907879475 | epot = -21.7925969744163 | etot = -17.5174912610306 -714000 ekin = 2.56349602857406 | erot = 2.10802762811156 | epot = -21.8549579399156 | etot = -17.18343428323 -715000 ekin = 2.42420336547985 | erot = 3.74011705339237 | epot = -21.8363873817813 | etot = -15.6720669629091 -716000 ekin = 2.83424908488974 | erot = 2.84906269643008 | epot = -21.7516725023646 | etot = -16.0683607210448 -717000 ekin = 3.449141155469 | erot = 3.20655139229296 | epot = -21.6556489626088 | etot = -14.9999564148469 -718000 ekin = 3.10544916005123 | erot = 3.94111109893272 | epot = -21.5509268479497 | etot = -14.5043665889657 -719000 ekin = 2.38560143578601 | erot = 2.95196851228004 | epot = -21.5368313311174 | etot = -16.1992613830513 -720000 ekin = 2.22547766761154 | erot = 3.14352355524054 | epot = -21.5280561989878 | etot = -16.1590549761357 -721000 ekin = 1.71648896607559 | erot = 2.23916158851569 | epot = -21.4544704731448 | etot = -17.4988199185535 -722000 ekin = 1.92969886536088 | erot = 2.81516182454304 | epot = -21.4789602411171 | etot = -16.7340995512131 -723000 ekin = 2.37878330622949 | erot = 2.55685717442619 | epot = -21.4258282544299 | etot = -16.4901877737742 -724000 ekin = 1.74694406742187 | erot = 2.45584755221003 | epot = -21.4005294054569 | etot = -17.197737785825 -725000 ekin = 2.29310276841874 | erot = 2.95220863719859 | epot = -21.4633620430606 | etot = -16.2180506374432 -726000 ekin = 1.63448654082141 | erot = 2.30654545762654 | epot = -21.5038765351965 | etot = -17.5628445367485 -727000 ekin = 2.46595168496949 | erot = 3.19849750353943 | epot = -21.5266836250346 | etot = -15.8622344365256 -728000 ekin = 2.21687538357189 | erot = 2.165919089739 | epot = -21.513377733993 | etot = -17.1305832606821 -729000 ekin = 1.89362806269803 | erot = 1.6657813694817 | epot = -21.5533880281027 | etot = -17.993978595923 -730000 ekin = 1.78199630529827 | erot = 2.15399263718836 | epot = -21.5485428072817 | etot = -17.6125538647951 -731000 ekin = 2.16845146601146 | erot = 2.96876326415235 | epot = -21.4849197438583 | etot = -16.3477050136945 -732000 ekin = 2.41098004969989 | erot = 2.27162025823661 | epot = -21.3730972185635 | etot = -16.690496910627 -733000 ekin = 3.04997179731017 | erot = 2.57297105879857 | epot = -21.4193189845269 | etot = -15.7963761284182 -734000 ekin = 2.36878310719472 | erot = 2.04459379545547 | epot = -21.4834058303776 | etot = -17.0700289277274 -735000 ekin = 2.13407288267268 | erot = 1.55092026474352 | epot = -21.5368505426165 | etot = -17.8518573952003 -736000 ekin = 2.1362063540729 | erot = 3.45790946645046 | epot = -21.6430634912022 | etot = -16.0489476706788 -737000 ekin = 1.73554233533154 | erot = 3.58779507650378 | epot = -21.6702622900886 | etot = -16.3469248782532 -738000 ekin = 2.01164487816147 | erot = 2.50514634893196 | epot = -21.6986247134705 | etot = -17.1818334863771 -739000 ekin = 1.85074759845217 | erot = 2.19370944227887 | epot = -21.7133968547419 | etot = -17.6689398140108 -740000 ekin = 2.84699687053757 | erot = 2.7912333503138 | epot = -21.7387373822546 | etot = -16.1005071614032 -741000 ekin = 2.47259234369835 | erot = 2.90849116827955 | epot = -21.7966678254519 | etot = -16.415584313474 -742000 ekin = 2.74165618770735 | erot = 3.26593517824215 | epot = -21.9343343201998 | etot = -15.9267429542503 -743000 ekin = 2.23285850131327 | erot = 3.20738521933767 | epot = -22.0692807008484 | etot = -16.6290369801974 -744000 ekin = 2.0089223878876 | erot = 3.79240058007591 | epot = -22.1503347602461 | etot = -16.3490117922826 -745000 ekin = 3.13933421257374 | erot = 2.32790266093992 | epot = -22.1471844512455 | etot = -16.6799475777318 -746000 ekin = 2.96008666942407 | erot = 2.64881993709762 | epot = -22.122986971371 | etot = -16.5140803648493 -747000 ekin = 2.31606158946103 | erot = 2.05363821834659 | epot = -22.1269013575191 | etot = -17.7572015497115 -748000 ekin = 2.36202846469555 | erot = 2.41533863458708 | epot = -22.1607507396176 | etot = -17.3833836403349 -749000 ekin = 2.07010000324332 | erot = 2.77477767451978 | epot = -22.1615532796329 | etot = -17.3166756018698 -750000 ekin = 1.65856288792329 | erot = 2.38394476194078 | epot = -22.2376789275399 | etot = -18.1951712776758 -751000 ekin = 1.79369238822413 | erot = 2.82711279056287 | epot = -22.3399930058064 | etot = -17.7191878270194 -752000 ekin = 1.3565337369664 | erot = 1.46027272724399 | epot = -22.4259407567778 | etot = -19.6091342925674 -753000 ekin = 1.88677173003379 | erot = 2.44011815977781 | epot = -22.3759237785306 | etot = -18.049033888719 -754000 ekin = 1.74757468714757 | erot = 2.73579703445366 | epot = -22.2777874333258 | etot = -17.7944157117246 -755000 ekin = 2.39540881497791 | erot = 2.40997626783999 | epot = -22.1989471718282 | etot = -17.3935620890103 -756000 ekin = 1.8374249552549 | erot = 2.7898384136326 | epot = -22.1256041210015 | etot = -17.498340752114 -757000 ekin = 1.97252620256626 | erot = 2.57811195064152 | epot = -22.0524369346386 | etot = -17.5017987814308 -758000 ekin = 1.18943353600229 | erot = 2.72305618385831 | epot = -21.9808261825123 | etot = -18.0683364626517 -759000 ekin = 2.16138393466163 | erot = 1.3977782924933 | epot = -21.9922114478071 | etot = -18.4330492206522 -760000 ekin = 2.57272139862155 | erot = 2.33385746622741 | epot = -22.0280808566088 | etot = -17.1215019917599 -761000 ekin = 2.08641160599719 | erot = 2.24969428592799 | epot = -22.1058253802024 | etot = -17.7697194882772 -762000 ekin = 2.1361825080532 | erot = 1.66094626659748 | epot = -22.1311549030111 | etot = -18.3340261283604 -763000 ekin = 2.43010472752659 | erot = 3.36039539289095 | epot = -22.2016765636182 | etot = -16.4111764432007 -764000 ekin = 2.84811842220375 | erot = 2.79168514035599 | epot = -22.2088162305687 | etot = -16.569012668009 -765000 ekin = 1.81453694547676 | erot = 2.77469277969824 | epot = -22.1144835078989 | etot = -17.5252537827239 -766000 ekin = 2.64878768483921 | erot = 2.31374812658081 | epot = -21.9875154152781 | etot = -17.0249796038581 -767000 ekin = 2.58989188969789 | erot = 2.86706483154975 | epot = -21.9043548536665 | etot = -16.4473981324189 -768000 ekin = 1.86368721962895 | erot = 2.78532510291609 | epot = -21.9343474885242 | etot = -17.2853351659791 -769000 ekin = 2.40214820980699 | erot = 2.31347943810898 | epot = -22.0333978303343 | etot = -17.3177701824184 -770000 ekin = 2.49202416232453 | erot = 3.23110904096713 | epot = -22.1402797305012 | etot = -16.4171465272095 -771000 ekin = 2.33292298096755 | erot = 2.27796352597305 | epot = -22.17790877141 | etot = -17.5670222644694 -772000 ekin = 2.29055460354208 | erot = 2.99393464583806 | epot = -22.2735812923856 | etot = -16.9890920430054 -773000 ekin = 2.23134390761289 | erot = 1.82253948832535 | epot = -22.3356201893464 | etot = -18.2817367934081 -774000 ekin = 2.82484138078993 | erot = 2.21081663204023 | epot = -22.3299367088855 | etot = -17.2942786960554 -775000 ekin = 1.82366213720863 | erot = 1.87126548470211 | epot = -22.2720238956272 | etot = -18.5770962737165 -776000 ekin = 1.39176212331748 | erot = 3.16041697920643 | epot = -22.2452599321026 | etot = -17.6930808295787 -777000 ekin = 1.62656494455193 | erot = 2.80889498236168 | epot = -22.1606670215091 | etot = -17.7252070945955 -778000 ekin = 1.49453026929824 | erot = 2.24185784607895 | epot = -22.1729818621132 | etot = -18.436593746736 -779000 ekin = 1.88163725615419 | erot = 1.90711264831679 | epot = -22.2125328330488 | etot = -18.4237829285778 -780000 ekin = 1.70286422785891 | erot = 2.30497222936397 | epot = -22.2799394088718 | etot = -18.2721029516489 -781000 ekin = 2.12678565466725 | erot = 2.5607588088585 | epot = -22.3659184198104 | etot = -17.6783739562846 -782000 ekin = 2.6031276814174 | erot = 1.95727704696267 | epot = -22.2790730674379 | etot = -17.7186683390578 -783000 ekin = 2.1948400081794 | erot = 2.90035247320886 | epot = -22.2007535116304 | etot = -17.1055610302421 -784000 ekin = 2.84936415382249 | erot = 2.24073860376602 | epot = -22.2096265501644 | etot = -17.1195237925759 -785000 ekin = 3.14239456216427 | erot = 2.92883564065743 | epot = -22.250724619048 | etot = -16.1794944162263 -786000 ekin = 2.83302205045547 | erot = 3.44600351958776 | epot = -22.2930098599336 | etot = -16.0139842898904 -787000 ekin = 2.41036243622077 | erot = 3.01402072617264 | epot = -22.2336456938648 | etot = -16.8092625314714 -788000 ekin = 1.99496987344553 | erot = 2.0160805570118 | epot = -22.2004170890862 | etot = -18.1893666586289 -789000 ekin = 2.46197992481173 | erot = 2.27411334262936 | epot = -22.132074772345 | etot = -17.3959815049039 -790000 ekin = 3.57873057583599 | erot = 2.82417596997282 | epot = -22.0695018605637 | etot = -15.6665953147549 -791000 ekin = 3.12331080904155 | erot = 2.42394177795114 | epot = -22.080644982627 | etot = -16.5333923956343 -792000 ekin = 3.95364280137309 | erot = 1.97266999125562 | epot = -22.0153287445499 | etot = -16.0890159519212 -793000 ekin = 2.26819643622963 | erot = 2.58701659000735 | epot = -21.9215549471255 | etot = -17.0663419208885 -794000 ekin = 2.16067669778386 | erot = 2.44301139774416 | epot = -21.7616964244106 | etot = -17.1580083288826 -795000 ekin = 1.62512477760333 | erot = 2.41826409844339 | epot = -21.600959390557 | etot = -17.5575705145103 -796000 ekin = 2.18368115482543 | erot = 2.13083402580691 | epot = -21.4815591943755 | etot = -17.1670440137431 -797000 ekin = 1.81443490468363 | erot = 1.99530711788362 | epot = -21.473386092747 | etot = -17.6636440701797 -798000 ekin = 2.22066977376058 | erot = 2.5136217615585 | epot = -21.5005357102706 | etot = -16.7662441749516 -799000 ekin = 1.89003567281256 | erot = 2.87071760546339 | epot = -21.4707763423861 | etot = -16.7100230641101 -800000 ekin = 2.14249138302219 | erot = 2.35217342569423 | epot = -21.3794335794328 | etot = -16.8847687707164 -801000 ekin = 1.84325206062913 | erot = 1.65490182118709 | epot = -21.2215462073953 | etot = -17.7233923255791 -802000 ekin = 2.20306916659744 | erot = 2.22362280870385 | epot = -21.1078917551145 | etot = -16.6811997798132 -803000 ekin = 2.64756180889851 | erot = 1.90771195713019 | epot = -21.075516629541 | etot = -16.5202428635123 -804000 ekin = 2.34383808048561 | erot = 2.89135072882195 | epot = -21.017800229163 | etot = -15.7826114198554 -805000 ekin = 1.79807471993961 | erot = 2.71703055229461 | epot = -20.8858735264626 | etot = -16.3707682542284 -806000 ekin = 1.74933039138001 | erot = 2.08508375084938 | epot = -20.8501295844101 | etot = -17.0157154421807 -807000 ekin = 1.57086516216332 | erot = 1.70410734557162 | epot = -20.9085753440719 | etot = -17.633602836337 -808000 ekin = 2.08081471116263 | erot = 2.40350759554646 | epot = -20.984850158389 | etot = -16.50052785168 -809000 ekin = 2.61726856088296 | erot = 1.51240481195689 | epot = -20.9779384430211 | etot = -16.8482650701812 -810000 ekin = 3.07307660201955 | erot = 2.65446786899303 | epot = -20.8951461498987 | etot = -15.1676016788862 -811000 ekin = 3.02865521289707 | erot = 3.61705494723141 | epot = -20.938700013487 | etot = -14.2929898533586 -812000 ekin = 2.13828724317889 | erot = 2.79208705150833 | epot = -21.0253177933673 | etot = -16.0949434986801 -813000 ekin = 2.19066742087212 | erot = 3.16148861694095 | epot = -21.2162063121508 | etot = -15.8640502743377 -814000 ekin = 1.70799980950659 | erot = 2.98447609556824 | epot = -21.3083573707191 | etot = -16.6158814656443 -815000 ekin = 2.14655793408327 | erot = 2.27340066456812 | epot = -21.3095101360258 | etot = -16.8895515373744 -816000 ekin = 2.70387013105122 | erot = 1.53091743336716 | epot = -21.3380867226337 | etot = -17.1032991582153 -817000 ekin = 2.55772150346674 | erot = 2.58538498973779 | epot = -21.4687911304725 | etot = -16.325684637268 -818000 ekin = 2.27829227808576 | erot = 2.2610194627647 | epot = -21.51579990444 | etot = -16.9764881635896 -819000 ekin = 2.10478468907764 | erot = 3.02372442904099 | epot = -21.5288267165814 | etot = -16.4003175984628 -820000 ekin = 2.50616680560145 | erot = 2.71768974330904 | epot = -21.5031693602738 | etot = -16.2793128113633 -821000 ekin = 2.62605779655516 | erot = 2.5517168842266 | epot = -21.4782637845704 | etot = -16.3004891037887 -822000 ekin = 3.63911022661674 | erot = 2.20246809596405 | epot = -21.4682605531632 | etot = -15.6266822305824 -823000 ekin = 3.5890614966436 | erot = 2.73568419343317 | epot = -21.4644034772322 | etot = -15.1396577871554 -824000 ekin = 4.11258611216971 | erot = 3.29177083877816 | epot = -21.4054670493164 | etot = -14.0011100983685 -825000 ekin = 2.90574167985894 | erot = 3.46418314252362 | epot = -21.2428648794989 | etot = -14.8729400571163 -826000 ekin = 1.72166879396265 | erot = 1.97031409321974 | epot = -21.0465041377165 | etot = -17.3545212505341 -827000 ekin = 1.9124296633897 | erot = 2.55758046921178 | epot = -20.9198493255665 | etot = -16.449839192965 -828000 ekin = 2.38136751134629 | erot = 2.55567683032446 | epot = -20.8197900136475 | etot = -15.8827456719767 -829000 ekin = 2.24752095426969 | erot = 1.78485397592485 | epot = -20.7078548678742 | etot = -16.6754799376796 -830000 ekin = 2.52760515907096 | erot = 2.34151737044649 | epot = -20.587853056286 | etot = -15.7187305267686 -831000 ekin = 2.68303948249783 | erot = 2.12107955860996 | epot = -20.4986251845811 | etot = -15.6945061434733 -832000 ekin = 2.5995339697481 | erot = 2.01126070882922 | epot = -20.317042202606 | etot = -15.7062475240286 -833000 ekin = 2.41782691161325 | erot = 2.6104596916825 | epot = -20.2071689208773 | etot = -15.1788823175815 -834000 ekin = 2.81812459074308 | erot = 2.32580908472724 | epot = -20.1954682788161 | etot = -15.0515346033458 -835000 ekin = 2.76877914745308 | erot = 2.73409979010148 | epot = -20.2858954358872 | etot = -14.7830164983326 -836000 ekin = 2.56414357027351 | erot = 2.85425200452209 | epot = -20.4214942021634 | etot = -15.0030986273678 -837000 ekin = 1.77982670030629 | erot = 1.97011006317925 | epot = -20.4747752062613 | etot = -16.7248384427758 -838000 ekin = 1.9809448596471 | erot = 2.7884830818994 | epot = -20.4863255993134 | etot = -15.7168976577669 -839000 ekin = 1.99257457422062 | erot = 2.69848359788971 | epot = -20.4692625343629 | etot = -15.7782043622526 -840000 ekin = 1.695727430563 | erot = 2.96442093053147 | epot = -20.5469645302134 | etot = -15.886816169119 -841000 ekin = 2.78747714781483 | erot = 2.84618551296106 | epot = -20.6836589678232 | etot = -15.0499963070473 -842000 ekin = 2.5516108705537 | erot = 2.86967631676814 | epot = -20.7215472760611 | etot = -15.3002600887392 -843000 ekin = 2.00510252228194 | erot = 2.62122625910375 | epot = -20.7126385725957 | etot = -16.08630979121 -844000 ekin = 1.53691661689193 | erot = 1.93035645367874 | epot = -20.7513861721528 | etot = -17.2841131015821 -845000 ekin = 2.30558370867946 | erot = 2.31565535118112 | epot = -20.8631357757407 | etot = -16.2418967158802 -846000 ekin = 2.08834507240676 | erot = 2.32509193883626 | epot = -20.9437811774395 | etot = -16.5303441661965 -847000 ekin = 2.47860773767064 | erot = 2.63825359015714 | epot = -20.9035842025176 | etot = -15.7867228746898 -848000 ekin = 2.15941499449244 | erot = 1.46592084588015 | epot = -20.9421067829749 | etot = -17.3167709426023 -849000 ekin = 2.00792301359513 | erot = 2.48538196855797 | epot = -20.9573985285088 | etot = -16.4640935463557 -850000 ekin = 2.54511466975944 | erot = 2.66862013426066 | epot = -20.9501688277166 | etot = -15.7364340236965 -851000 ekin = 2.16918996810547 | erot = 2.93012028589825 | epot = -20.9578305522532 | etot = -15.8585202982494 -852000 ekin = 2.48734107685338 | erot = 2.46343406489934 | epot = -20.9874894800747 | etot = -16.0367143383219 -853000 ekin = 2.41308828583826 | erot = 2.97804263482415 | epot = -20.9325497268305 | etot = -15.5414188061681 -854000 ekin = 2.35481893706787 | erot = 2.85453301930642 | epot = -20.8448014229524 | etot = -15.6354494665781 -855000 ekin = 2.37449305766123 | erot = 2.06591921004024 | epot = -20.8766751569445 | etot = -16.4362628892431 -856000 ekin = 2.52589522695461 | erot = 2.75200317380097 | epot = -20.7810899349363 | etot = -15.5031915341808 -857000 ekin = 2.56479713152188 | erot = 3.03132159965742 | epot = -20.6741126728545 | etot = -15.0779939416752 -858000 ekin = 3.12600431259895 | erot = 2.14307227855762 | epot = -20.6236416669373 | etot = -15.3545650757807 -859000 ekin = 2.91606538598306 | erot = 2.23743055034025 | epot = -20.6462917973092 | etot = -15.4927958609859 -860000 ekin = 2.88632968266491 | erot = 1.51779320350218 | epot = -20.6690491266306 | etot = -16.2649262404636 -861000 ekin = 2.33646237335095 | erot = 2.84993579191977 | epot = -20.6662989350089 | etot = -15.4799007697382 -862000 ekin = 3.06142360843216 | erot = 1.86714994928413 | epot = -20.7124901286986 | etot = -15.7839165709823 -863000 ekin = 2.88328806598044 | erot = 1.77603258370269 | epot = -20.8185427296306 | etot = -16.1592220799475 -864000 ekin = 2.96121160100481 | erot = 2.65074453444238 | epot = -21.0023810054863 | etot = -15.3904248700391 -865000 ekin = 3.32435720931815 | erot = 2.24357551683278 | epot = -21.1325456190927 | etot = -15.5646128929418 -866000 ekin = 2.85046827088543 | erot = 3.16864534840895 | epot = -21.2188104480758 | etot = -15.1996968287815 -867000 ekin = 2.74121981057393 | erot = 3.09690590629766 | epot = -21.2063169983776 | etot = -15.368191281506 -868000 ekin = 2.19317218320696 | erot = 2.23855212764239 | epot = -21.1598851105383 | etot = -16.728160799689 -869000 ekin = 2.92776187579401 | erot = 2.49696120772198 | epot = -21.1055152241549 | etot = -15.6807921406389 -870000 ekin = 2.48025968092564 | erot = 2.11893759578989 | epot = -21.0847323271701 | etot = -16.4855350504546 -871000 ekin = 2.1845388948614 | erot = 2.3744484320603 | epot = -20.9752554539106 | etot = -16.4162681269889 -872000 ekin = 1.52991727300488 | erot = 2.08936497511662 | epot = -20.9296773909044 | etot = -17.3103951427829 -873000 ekin = 1.39436098333864 | erot = 2.29076078630038 | epot = -20.9970902403712 | etot = -17.3119684707321 -874000 ekin = 1.40847516007258 | erot = 2.77014925513763 | epot = -21.1567852435976 | etot = -16.9781608283874 -875000 ekin = 1.18430169865448 | erot = 2.73096315540972 | epot = -21.2931389111423 | etot = -17.377874057078 -876000 ekin = 1.83112091845917 | erot = 2.99592495330209 | epot = -21.3275375070725 | etot = -16.5004916353113 -877000 ekin = 2.38101871692681 | erot = 2.03701942732192 | epot = -21.413314709608 | etot = -16.9952765653592 -878000 ekin = 2.13057677670605 | erot = 1.75664755774656 | epot = -21.4109592588752 | etot = -17.5237349244226 -879000 ekin = 2.23974599078717 | erot = 2.71277945678049 | epot = -21.3991125430578 | etot = -16.4465870954902 -880000 ekin = 2.68276925988414 | erot = 2.78419511289156 | epot = -21.4451599851349 | etot = -15.9781956123593 -881000 ekin = 2.86954422987714 | erot = 2.35934309050243 | epot = -21.4304898157632 | etot = -16.2016024953836 -882000 ekin = 2.33322673498713 | erot = 2.17176089427924 | epot = -21.3686767563163 | etot = -16.8636891270499 -883000 ekin = 2.36505939156363 | erot = 1.97542469807282 | epot = -21.1740561038168 | etot = -16.8335720141804 -884000 ekin = 2.53970453736975 | erot = 2.25146966956772 | epot = -21.0784914585951 | etot = -16.2873172516576 -885000 ekin = 2.86113216999841 | erot = 2.27428598539185 | epot = -21.0769714000078 | etot = -15.9415532446176 -886000 ekin = 3.16926259480325 | erot = 1.7479502049347 | epot = -21.1261039292057 | etot = -16.2088911294677 -887000 ekin = 2.66032303732719 | erot = 2.49430923572929 | epot = -21.1888853902954 | etot = -16.0342531172389 -888000 ekin = 2.14251397925541 | erot = 2.83067746317048 | epot = -21.2727723297671 | etot = -16.2995808873412 -889000 ekin = 2.13717501491483 | erot = 2.20010872789046 | epot = -21.1879846015514 | etot = -16.8507008587461 -890000 ekin = 1.76445604927834 | erot = 2.97270674684479 | epot = -21.249043049208 | etot = -16.5118802530849 -891000 ekin = 1.64410761916635 | erot = 2.28011654490668 | epot = -21.3725568550826 | etot = -17.4483326910096 -892000 ekin = 1.9736849956493 | erot = 2.35977031841883 | epot = -21.5165660475445 | etot = -17.1831107334764 -893000 ekin = 1.78063715284303 | erot = 1.84016145583949 | epot = -21.5929324441233 | etot = -17.9721338354408 -894000 ekin = 2.80890536765195 | erot = 2.8033716212873 | epot = -21.68691302035 | etot = -16.0746360314107 -895000 ekin = 2.03615797288147 | erot = 2.73640459758099 | epot = -21.7733873211515 | etot = -17.000824750689 -896000 ekin = 1.66692759050852 | erot = 2.55822798781453 | epot = -21.9049846669574 | etot = -17.6798290886343 -897000 ekin = 1.79224531734011 | erot = 2.35948275762719 | epot = -22.0434422253312 | etot = -17.8917141503639 -898000 ekin = 1.83919553961872 | erot = 2.41642222286753 | epot = -22.0758336371865 | etot = -17.8202158747002 -899000 ekin = 1.6636071320686 | erot = 3.06317427040907 | epot = -22.0015388871688 | etot = -17.2747574846912 -900000 ekin = 2.15282039168693 | erot = 2.62540512899952 | epot = -21.9732889613479 | etot = -17.1950634406614 -901000 ekin = 2.43388685834711 | erot = 2.69648861895498 | epot = -22.0420272097224 | etot = -16.9116517324203 -902000 ekin = 2.58083086140289 | erot = 2.40599679938446 | epot = -22.0470185105966 | etot = -17.0601908498092 -903000 ekin = 2.38921046669397 | erot = 2.40351321660547 | epot = -22.0515567722576 | etot = -17.2588330889581 -904000 ekin = 1.99826824339051 | erot = 3.15684651679006 | epot = -22.0749158572968 | etot = -16.9198010971163 -905000 ekin = 2.28113475313044 | erot = 2.2074638316632 | epot = -22.0890181666858 | etot = -17.6004195818921 -906000 ekin = 2.49879330353343 | erot = 1.671102945257 | epot = -22.0615337836095 | etot = -17.8916375348191 -907000 ekin = 2.34107735293828 | erot = 2.16848534916945 | epot = -21.914392426319 | etot = -17.4048297242112 -908000 ekin = 2.83000120831929 | erot = 2.3920412129948 | epot = -21.9351986192177 | etot = -16.7131561979036 -909000 ekin = 3.13472288974739 | erot = 2.07022420849154 | epot = -22.0395372123877 | etot = -16.8345901141488 -910000 ekin = 2.91535724615619 | erot = 3.54296427198744 | epot = -22.17289784711 | etot = -15.7145763289663 -911000 ekin = 1.86266697685629 | erot = 2.75432454240692 | epot = -22.2277400981541 | etot = -17.6107485788909 -912000 ekin = 2.64271590958795 | erot = 1.86909048050939 | epot = -22.2775010562684 | etot = -17.7656946661711 -913000 ekin = 2.45835510175704 | erot = 2.03340616362699 | epot = -22.4008109136254 | etot = -17.9090496482413 -914000 ekin = 2.0168446739852 | erot = 3.01916202272043 | epot = -22.5013367548475 | etot = -17.4653300581419 -915000 ekin = 2.73687318093231 | erot = 2.14033624631652 | epot = -22.5028600755747 | etot = -17.6256506483259 -916000 ekin = 2.38979306224022 | erot = 3.26197451659129 | epot = -22.5263162174438 | etot = -16.8745486386123 -917000 ekin = 2.2132313431686 | erot = 2.24407516775212 | epot = -22.5139668518706 | etot = -18.0566603409499 -918000 ekin = 2.11835073964575 | erot = 2.05693480392619 | epot = -22.4455228128791 | etot = -18.2702372693072 -919000 ekin = 2.66229415880118 | erot = 2.41897705108102 | epot = -22.4796981911192 | etot = -17.398426981237 -920000 ekin = 3.26579644340034 | erot = 2.75572713099831 | epot = -22.5844984666348 | etot = -16.5629748922361 -921000 ekin = 2.7209745531417 | erot = 1.96979925725472 | epot = -22.6385112107694 | etot = -17.9477374003729 -922000 ekin = 1.43413709665673 | erot = 1.52452785259238 | epot = -22.6908688613181 | etot = -19.732203912069 -923000 ekin = 1.67612014861287 | erot = 1.86533200287241 | epot = -22.7504417888943 | etot = -19.208989637409 -924000 ekin = 2.14999846366944 | erot = 1.53353223685726 | epot = -22.7219152384023 | etot = -19.0383845378756 -925000 ekin = 2.27775999892995 | erot = 1.35579588948189 | epot = -22.6313109881577 | etot = -18.9977550997459 -926000 ekin = 2.00325654671082 | erot = 2.07129795862533 | epot = -22.58060449698 | etot = -18.5060499916438 -927000 ekin = 2.51568207758562 | erot = 1.987163454037 | epot = -22.6950313207983 | etot = -18.1921857891757 -928000 ekin = 2.57430073568282 | erot = 2.51446833506414 | epot = -22.8476882631099 | etot = -17.758919192363 -929000 ekin = 2.65883432741931 | erot = 1.82970870115209 | epot = -22.8881462617914 | etot = -18.39960323322 -930000 ekin = 2.41679914385681 | erot = 2.00959752598338 | epot = -22.9005208742364 | etot = -18.4741242043962 -931000 ekin = 3.01841254462055 | erot = 2.11105138843169 | epot = -22.85760539327 | etot = -17.7281414602178 -932000 ekin = 2.34886657046774 | erot = 1.87108210439136 | epot = -22.8977129515892 | etot = -18.6777642767301 -933000 ekin = 2.16783340111898 | erot = 2.83769256871394 | epot = -22.9046776672478 | etot = -17.8991516974149 -934000 ekin = 2.17397600879036 | erot = 2.11893010896207 | epot = -22.9246315138634 | etot = -18.6317253961109 -935000 ekin = 2.35368321763723 | erot = 2.22721731703674 | epot = -22.9148844830612 | etot = -18.3339839483873 -936000 ekin = 2.29404484064883 | erot = 2.52125059394418 | epot = -23.022569346399 | etot = -18.207273911806 -937000 ekin = 2.32419482855967 | erot = 2.82559362345603 | epot = -23.1106534424293 | etot = -17.9608649904136 -938000 ekin = 2.46214257103075 | erot = 1.99597995904795 | epot = -23.1662772746363 | etot = -18.7081547445576 -939000 ekin = 2.9950708934893 | erot = 2.11187711132299 | epot = -23.1593663275129 | etot = -18.0524183227006 -940000 ekin = 3.76806392301913 | erot = 2.67914085708954 | epot = -23.0990741275282 | etot = -16.6518693474195 -941000 ekin = 3.15122194022389 | erot = 2.26598106832925 | epot = -23.0009732777347 | etot = -17.5837702691815 -942000 ekin = 3.50290237899686 | erot = 1.88389191282622 | epot = -22.9638174755667 | etot = -17.5770231837436 -943000 ekin = 3.81981007949588 | erot = 2.71306651628128 | epot = -22.9368745682733 | etot = -16.4039979724962 -944000 ekin = 2.68269000609243 | erot = 2.75597297355549 | epot = -22.9154634627924 | etot = -17.4768004831445 -945000 ekin = 2.5590549123222 | erot = 2.02762890141183 | epot = -22.8197752815545 | etot = -18.2330914678205 -946000 ekin = 2.47577141445405 | erot = 1.66876676951813 | epot = -22.6553996443486 | etot = -18.5108614603764 -947000 ekin = 2.41888872017238 | erot = 1.99290495105536 | epot = -22.5511355353761 | etot = -18.1393418641484 -948000 ekin = 3.55059459316711 | erot = 2.5777258708839 | epot = -22.4076841605954 | etot = -16.2793636965444 -949000 ekin = 2.98580100349108 | erot = 2.44218887595664 | epot = -22.1946740482762 | etot = -16.7666841688284 -950000 ekin = 1.821092375385 | erot = 3.05085494375851 | epot = -22.0411048551924 | etot = -17.1691575360489 -951000 ekin = 2.20017865970828 | erot = 2.37993346919584 | epot = -22.0148953004748 | etot = -17.4347831715707 -952000 ekin = 2.14109063574403 | erot = 1.67049478035644 | epot = -21.9849308950116 | etot = -18.1733454789111 -953000 ekin = 2.29825441833299 | erot = 1.97339930829895 | epot = -21.9506588951235 | etot = -17.6790051684915 -954000 ekin = 1.48812561465813 | erot = 3.35693562507496 | epot = -21.8785232616716 | etot = -17.0334620219385 -955000 ekin = 1.87464515912864 | erot = 2.65909319571748 | epot = -21.7892398748208 | etot = -17.2555015199747 -956000 ekin = 1.69455812204129 | erot = 2.15407102211541 | epot = -21.7240315558968 | etot = -17.8754024117401 -957000 ekin = 1.75583683783662 | erot = 1.6388872433372 | epot = -21.6978461721406 | etot = -18.3031220909668 -958000 ekin = 1.59915972681971 | erot = 2.20119347000054 | epot = -21.6996739320855 | etot = -17.8993207352653 -959000 ekin = 2.58508771526968 | erot = 2.48988894190743 | epot = -21.7128779048797 | etot = -16.6379012477026 -960000 ekin = 2.540004730569 | erot = 2.05993270952562 | epot = -21.7110863197264 | etot = -17.1111488796318 -961000 ekin = 2.28366644951083 | erot = 2.18351789869055 | epot = -21.713158341698 | etot = -17.2459739934967 -962000 ekin = 1.65566986683003 | erot = 3.51395446298371 | epot = -21.7309544663205 | etot = -16.5613301365068 -963000 ekin = 1.99640145079979 | erot = 1.50119578271615 | epot = -21.6827600497459 | etot = -18.1851628162299 -964000 ekin = 2.18656047252606 | erot = 2.27602589879665 | epot = -21.619418671686 | etot = -17.1568323003632 -965000 ekin = 2.1268740717332 | erot = 2.31151575363264 | epot = -21.6000680375134 | etot = -17.1616782121475 -966000 ekin = 3.18082053219097 | erot = 3.42475965115333 | epot = -21.6366484152857 | etot = -15.0310682319414 -967000 ekin = 3.07307267752021 | erot = 2.17494665586724 | epot = -21.5935818966499 | etot = -16.3455625632625 -968000 ekin = 2.08693319857779 | erot = 2.13995709056182 | epot = -21.5217214507964 | etot = -17.2948311616568 -969000 ekin = 2.26980017693321 | erot = 2.21816244485338 | epot = -21.459599392786 | etot = -16.9716367709994 -970000 ekin = 2.49153424363058 | erot = 2.62081062789337 | epot = -21.40624254365 | etot = -16.2938976721261 -971000 ekin = 2.49736294038618 | erot = 2.64542889712536 | epot = -21.3698430243897 | etot = -16.2270511868781 -972000 ekin = 3.20661406309987 | erot = 2.47006567711245 | epot = -21.3129147000401 | etot = -15.6362349598278 -973000 ekin = 3.35896769012794 | erot = 2.62914966754124 | epot = -21.2417754090084 | etot = -15.2536580513392 -974000 ekin = 2.71022162422346 | erot = 2.13950356822279 | epot = -21.1388622732984 | etot = -16.2891370808522 -975000 ekin = 1.81145289576367 | erot = 2.10207160993305 | epot = -21.048316338461 | etot = -17.1347918327643 -976000 ekin = 2.36964932252015 | erot = 1.38498778652618 | epot = -20.9787405486735 | etot = -17.2241034396272 -977000 ekin = 2.83743084482057 | erot = 3.02979079274331 | epot = -21.085451075555 | etot = -15.2182294379911 -978000 ekin = 3.14246219320392 | erot = 3.02811722693053 | epot = -21.1396703506934 | etot = -14.969090930559 -979000 ekin = 3.63780420393836 | erot = 2.4709378582899 | epot = -21.0340146720458 | etot = -14.9252726098175 -980000 ekin = 3.4264538226183 | erot = 3.24172784300214 | epot = -20.9599326810307 | etot = -14.2917510154103 -981000 ekin = 2.92833128833528 | erot = 2.44513741300221 | epot = -20.9990853641094 | etot = -15.6256166627719 -982000 ekin = 2.04564757644964 | erot = 2.21309407620317 | epot = -21.0169476544784 | etot = -16.7582060018256 -983000 ekin = 2.56027499325037 | erot = 1.98413314848097 | epot = -21.0051531932236 | etot = -16.4607450514922 -984000 ekin = 2.31412219695426 | erot = 2.58580887186898 | epot = -21.052483194614 | etot = -16.1525521257907 -985000 ekin = 2.31684810453689 | erot = 2.99962688680855 | epot = -21.126448512153 | etot = -15.8099735208075 -986000 ekin = 2.05087446711593 | erot = 2.15350712572991 | epot = -21.2175956679764 | etot = -17.0132140751306 -987000 ekin = 2.41884444903816 | erot = 1.58397554578725 | epot = -21.1898165062925 | etot = -17.1869965114671 -988000 ekin = 2.75120862227721 | erot = 2.70488585059706 | epot = -21.0891793464809 | etot = -15.6330848736066 -989000 ekin = 2.29399073499349 | erot = 2.85653684714667 | epot = -21.0165729755105 | etot = -15.8660453933703 -990000 ekin = 2.23407391829561 | erot = 2.58986750499253 | epot = -20.9399219780894 | etot = -16.1159805548012 -991000 ekin = 2.2015103509351 | erot = 2.5342789733714 | epot = -20.8272027181399 | etot = -16.0914133938334 -992000 ekin = 1.73506355750681 | erot = 2.49729588452318 | epot = -20.8968748041567 | etot = -16.6645153621267 -993000 ekin = 1.38873426581537 | erot = 1.9682630505033 | epot = -20.9926737588933 | etot = -17.6356764425747 -994000 ekin = 1.48976906105183 | erot = 2.95631655181474 | epot = -21.0595774450851 | etot = -16.6134918322185 -995000 ekin = 2.31357533477074 | erot = 1.67477965585528 | epot = -21.1250456439671 | etot = -17.1366906533411 -996000 ekin = 2.89740155011607 | erot = 2.85049856858161 | epot = -21.0862990854291 | etot = -15.3383989667315 -997000 ekin = 3.12971523768954 | erot = 2.1499509854011 | epot = -21.0771189403087 | etot = -15.7974527172181 -998000 ekin = 2.21576875556996 | erot = 3.03006905150276 | epot = -20.9969954660947 | etot = -15.751157659022 -999000 ekin = 2.60947248329622 | erot = 1.73825748506686 | epot = -20.9115307542595 | etot = -16.5638007858964 -1000000 ekin = 2.32273923275077 | erot = 2.87793771079159 | epot = -20.9050993315882 | etot = -15.7044223880458 - 1000000 0.10323285 -1.3567017 0.050132958 -1.1613975 0.00013807094 -Loop time of 30.2805 on 4 procs for 1000000 steps with 16 atoms - -Performance: 28533.226 tau/day, 33024.567 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 | 0.57156 | 10.489 | 19.648 | 266.3 | 34.64 -Bond | 0.087018 | 0.38344 | 0.65455 | 40.7 | 1.27 -Neigh | 0 | 0 | 0 | 0.0 | 0.00 -Comm | 2.5429 | 2.6691 | 2.7875 | 5.4 | 8.81 -Output | 1.5e-05 | 2.425e-05 | 2.8e-05 | 0.0 | 0.00 -Modify | 0.2134 | 2.6942 | 5.1397 | 131.4 | 8.90 -Other | | 14.05 | | | 46.38 - -Nlocal: 4.0 ave 8.0 max 0.0 min -Histogram: 1 1 0 0 0 0 0 0 1 1 -Nghost: 11.0 ave 14.0 max 8.0 min -Histogram: 1 1 0 0 0 0 0 0 1 1 -Neighs: 35.5 ave 69.0 max 0.0 min -Histogram: 1 1 0 0 0 0 0 0 0 2 - -Total # of neighbors = 142 -Ave neighs/atom = 8.875 -Ave special neighs/atom = 3.75 -Neighbor list builds = 0 -Dangerous builds = 0 - -#write_restart config.${number}.* -Total wall time: 0:00:30 diff --git a/examples/PACKAGES/cgdna/examples/oxDNA2/duplex1/data.duplex1 b/examples/PACKAGES/cgdna/examples/oxDNA2/duplex1/data.duplex1 index 0ef671c603..54eb2beaf5 100644 --- a/examples/PACKAGES/cgdna/examples/oxDNA2/duplex1/data.duplex1 +++ b/examples/PACKAGES/cgdna/examples/oxDNA2/duplex1/data.duplex1 @@ -1,15 +1,14 @@ -# LAMMPS data file +LAMMPS data file via write_data, version 27 May 2021 + 10 atoms -10 ellipsoids -8 bonds - 4 atom types +8 bonds 1 bond types +10 ellipsoids -# System size --20.000000 20.000000 xlo xhi --20.000000 20.000000 ylo yhi --20.000000 20.000000 zlo zhi +-20 20 xlo xhi +-20 20 ylo yhi +-20 20 zlo zhi Masses @@ -18,56 +17,52 @@ Masses 3 3.1575 4 3.1575 -# Atom-ID, type, position, molecule-ID, ellipsoid flag, density -Atoms +Atoms # hybrid -1 1 -6.000000000000001e-01 0.000000000000000e+00 0.000000000000000e+00 1 1 1 -2 2 -4.860249842674776e-01 -3.518234140414736e-01 3.897628551303122e-01 1 1 1 -3 3 -1.874009511073395e-01 -5.699832309147915e-01 7.795257102606244e-01 1 1 1 -4 4 1.824198365552941e-01 -5.715968887521518e-01 1.169288565390937e+00 1 1 1 -5 1 4.829362784135484e-01 -3.560513319622209e-01 1.559051420521249e+00 1 1 1 -6 4 -4.829362784135484e-01 3.560513319622209e-01 1.559051420521249e+00 2 1 1 -7 1 -1.824198365552941e-01 5.715968887521516e-01 1.169288565390937e+00 2 1 1 -8 2 1.874009511073395e-01 5.699832309147913e-01 7.795257102606243e-01 2 1 1 -9 3 4.860249842674775e-01 3.518234140414733e-01 3.897628551303121e-01 2 1 1 -10 4 5.999999999999996e-01 -1.332267629550188e-16 -1.110223024625157e-16 2 1 1 +1 1 -0.33741452300167507 -0.43708835412476305 0.6450685042019271 1 1 3.7269849963023267 0 0 0 +2 2 -0.32142606102826937 -0.7137743037592722 1.1817366147004618 1 1 3.7269849963023267 0 0 0 +3 3 -0.130363628207774 -0.9147144801536078 1.62581312195109 1 1 3.7269849963023267 0 0 0 +4 4 0.16795127962282844 -0.9808507459807022 2.0894908590909003 1 1 3.7269849963023267 0 0 0 +5 1 0.46370423490634166 -0.7803347954883079 2.4251986815515827 1 1 3.7269849963023267 0 0 0 +6 4 -0.4462950185476711 0.09062163051035639 2.4668941268777607 2 1 3.7269849963023267 0 0 0 +7 1 -0.03377054097560965 0.20979847489755046 2.078208732038921 2 1 3.7269849963023267 0 0 0 +8 2 0.3297325391466579 0.17657587120899895 1.7206328374934152 2 1 3.7269849963023267 0 0 0 +9 3 0.6063699309305985 0.04682595158675571 1.2335049647817748 2 1 3.7269849963023267 0 0 0 +10 4 0.8003979559814726 -0.364393011459011 0.9884025318908612 2 1 3.7269849963023267 0 0 0 -# Atom-ID, translational velocity, angular momentum Velocities -1 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 -2 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 -3 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 -4 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 -5 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 -6 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 -7 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 -8 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 -9 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 -10 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 +1 0.320321385294804 -0.13632815939410442 -0.029398292452023418 0.3064009492028237 -0.15808560233691588 0.35878007201886397 +2 0.16868594667473025 -0.04950805613064363 0.15811007290373785 -0.07666583909321756 -0.0008074676325318194 -0.21475821019816385 +3 -0.22924557018300165 0.08381876748892438 -0.0919832851533896 0.4039387481683193 0.6123610642545824 -0.11063432848545783 +4 -0.22186204313310393 0.04952817499985707 -0.0693642101605732 -0.1358248430264938 0.4118493572385653 -0.056529305922687775 +5 0.08156431270087049 -0.2564594759800144 0.1724544416027875 0.05439894663158808 0.09338481510384318 0.3205408219238883 +6 0.03598698404367743 -0.04868642973674152 0.02860105256592922 0.04007709957283992 -0.317943400069374 0.36438025397586354 +7 -0.00822868972307372 0.047514932936351305 -0.027726409420297023 0.18356392696891796 -0.49877294396308003 0.06993313839189567 +8 -0.07177147672242379 0.1718272727853115 0.39056151182616994 -0.16728362538690794 -0.47839708820957955 -0.17897249005947627 +9 -0.1748638855727651 -0.0781638161351808 0.0560181565271157 -0.28062568580131014 0.2405396522734162 -0.4311598357169048 +10 0.18870318272756448 -0.1066780134639517 0.12610657946741227 -0.05740397100183697 0.36748833227892685 0.1498775724372025 -# Atom-ID, shape, quaternion -Ellipsoids - -1 1.173984503142341e+00 1.173984503142341e+00 1.173984503142341e+00 1.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 -2 1.173984503142341e+00 1.173984503142341e+00 1.173984503142341e+00 9.513258223252946e-01 0.000000000000000e+00 0.000000000000000e+00 3.081869234362515e-01 -3 1.173984503142341e+00 1.173984503142341e+00 1.173984503142341e+00 8.100416404457962e-01 0.000000000000000e+00 0.000000000000000e+00 5.863723567357894e-01 -4 1.173984503142341e+00 1.173984503142341e+00 1.173984503142341e+00 5.899012371043606e-01 0.000000000000000e+00 0.000000000000000e+00 8.074754054847398e-01 -5 1.173984503142341e+00 1.173984503142341e+00 1.173984503142341e+00 3.123349185122326e-01 0.000000000000000e+00 0.000000000000000e+00 9.499720515246527e-01 -6 1.173984503142341e+00 1.173984503142341e+00 1.173984503142341e+00 0.000000000000000e+00 9.499720515246527e-01 -3.123349185122326e-01 -0.000000000000000e+00 -7 1.173984503142341e+00 1.173984503142341e+00 1.173984503142341e+00 0.000000000000000e+00 8.074754054847401e-01 -5.899012371043604e-01 0.000000000000000e+00 -8 1.173984503142341e+00 1.173984503142341e+00 1.173984503142341e+00 0.000000000000000e+00 5.863723567357896e-01 -8.100416404457959e-01 0.000000000000000e+00 -9 1.173984503142341e+00 1.173984503142341e+00 1.173984503142341e+00 -0.000000000000000e+00 -3.081869234362514e-01 9.513258223252947e-01 0.000000000000000e+00 -10 1.173984503142341e+00 1.173984503142341e+00 1.173984503142341e+00 -0.000000000000000e+00 1.110223024625157e-16 1.000000000000000e+00 -0.000000000000000e+00 - -# Bond topology Bonds -1 1 1 2 -2 1 2 3 -3 1 3 4 -4 1 4 5 -5 1 6 7 -6 1 7 8 -7 1 8 9 -8 1 9 10 +1 1 1 2 +2 1 2 3 +3 1 3 4 +4 1 4 5 +5 1 6 7 +6 1 7 8 +7 1 8 9 +8 1 9 10 + +Ellipsoids + +1 1.173984503142341 1.173984503142341 1.173984503142341 0.9890278201757743 0.01779228232037064 -0.14337734159225404 0.030827642240801516 +2 1.173984503142341 1.173984503142341 1.173984503142341 0.939687458852748 0.04174166924055095 -0.023337773785056866 0.338674565089608 +3 1.173984503142341 1.173984503142341 1.173984503142341 0.8210113150655425 0.03012140921736572 0.017666019956944813 0.5698429897612057 +4 1.173984503142341 1.173984503142341 1.173984503142341 0.6623662858285051 -0.028186343967346823 0.022942552517501488 0.7482981175276918 +5 1.173984503142341 1.173984503142341 1.173984503142341 0.3601488726765216 0.0513614985821682 0.0724224158335286 0.9286602067807472 +6 1.173984503142341 1.173984503142341 1.173984503142341 0.11941234710084649 0.9244660117493703 -0.35317942248051865 -0.07979711784524246 +7 1.173984503142341 1.173984503142341 1.173984503142341 -0.17949125421205164 0.7412884899431119 -0.6379094464220707 0.1065166771202199 +8 1.173984503142341 1.173984503142341 1.173984503142341 -0.10483691088405202 0.5508895999584645 -0.8250090480220789 0.06992811634525403 +9 1.173984503142341 1.173984503142341 1.173984503142341 0.07777239911646 -0.3724087549185288 0.9103052384821374 -0.1631181963720798 +10 1.173984503142341 1.173984503142341 1.173984503142341 0.16279109707978262 0.027148630125149613 0.9849325709665359 -0.0516705065113425 diff --git a/examples/PACKAGES/cgdna/examples/oxDNA2/duplex1/in.duplex1 b/examples/PACKAGES/cgdna/examples/oxDNA2/duplex1/in.duplex1 index 6ae8df4ff2..860d5bfdd5 100644 --- a/examples/PACKAGES/cgdna/examples/oxDNA2/duplex1/in.duplex1 +++ b/examples/PACKAGES/cgdna/examples/oxDNA2/duplex1/in.duplex1 @@ -2,6 +2,7 @@ variable number equal 1 variable ofreq equal 1000 variable efreq equal 1000 variable T equal 0.1 +variable rhos equal 0.2 units lj @@ -11,11 +12,11 @@ newton off boundary p p p -atom_style hybrid bond ellipsoid +atom_style hybrid bond ellipsoid oxdna atom_modify sort 0 1.0 # Pair interactions require lists of neighbours to be calculated -neighbor 1.0 bin +neighbor 2.0 bin neigh_modify every 1 delay 0 check yes read_data data.duplex1 @@ -38,30 +39,19 @@ 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 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} 1.0 0.815 +pair_coeff * * oxdna2/dh ${T} ${rhos} 0.815 # NVE ensemble -fix 1 all nve/dot -#fix 1 all nve/dotc/langevin ${T} ${T} 0.03 457145 angmom 10 -#fix 1 all nve/asphere -#fix 2 all langevin ${T} ${T} 0.03 457145 angmom 10 +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 10000 1.1 rcb -comm_modify cutoff 2.5 +fix 3 all balance 1000 1.03 shift xyz 10 1.03 +comm_modify cutoff 3.8 -#compute mol all chunk/atom molecule -#compute mychunk all vcm/chunk mol -#fix 4 all ave/time 10000 1 10000 c_mychunk[1] c_mychunk[2] c_mychunk[3] file vcm.txt mode vector - -#dump pos all xyz ${ofreq} traj.${number}.xyz - -#compute quat all property/atom quatw quati quatj quatk -#dump quat all custom ${ofreq} quat.${number}.txt id c_quat[1] c_quat[2] c_quat[3] c_quat[4] -#dump_modify quat sort id -#dump_modify quat format line "%d %13.6le %13.6le %13.6le %13.6le" +compute quat all property/atom quatw quati quatj quatk compute erot all erotate/asphere compute ekin all ke @@ -72,10 +62,10 @@ 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}.txt id x y z vx vy vz fx fy fz tqx tqy tqz -#dump_modify out sort id -#dump_modify out format line "%d %13.6le %13.6le %13.6le %13.6le %13.6le %13.6le %13.6le %13.6le %13.6le %13.6le %13.6le %13.6le" +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 1000000 -#write_restart config.${number}.* +write_data last_config.${number}.* nocoeff 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 new file mode 100644 index 0000000000..40a6f32d18 --- /dev/null +++ b/examples/PACKAGES/cgdna/examples/oxDNA2/duplex1/log.27May21.duplex1.g++.1 @@ -0,0 +1,1180 @@ +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 new file mode 100644 index 0000000000..0ab77a2d50 --- /dev/null +++ b/examples/PACKAGES/cgdna/examples/oxDNA2/duplex1/log.27May21.duplex1.g++.4 @@ -0,0 +1,1180 @@ +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.30Jun20.duplex1.g++.1 b/examples/PACKAGES/cgdna/examples/oxDNA2/duplex1/log.30Jun20.duplex1.g++.1 deleted file mode 100644 index 25cbf1e8a3..0000000000 --- a/examples/PACKAGES/cgdna/examples/oxDNA2/duplex1/log.30Jun20.duplex1.g++.1 +++ /dev/null @@ -1,1182 +0,0 @@ -LAMMPS (30 Jun 2020) -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 -WARNING: Atom_style hybrid defines both pertype and peratom masses - both must be set, only peratom masses will be used (../atom_vec_hybrid.cpp:156) -atom_modify sort 0 1.0 - -# Pair interactions require lists of neighbours to be calculated -neighbor 1.0 bin -neigh_modify every 1 delay 0 check yes - -read_data data.duplex1 - orthogonal box = (-20 -20 -20) to (20 20 20) - 1 by 1 by 1 MPI processor grid - reading atoms ... - 10 atoms - reading velocities ... - 10 velocities - 10 ellipsoids - scanning bonds ... - 2 = max bonds/atom - reading bonds ... - 8 bonds - 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 - 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 - 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} 1.0 0.815 -pair_coeff * * oxdna2/dh 0.1 1.0 0.815 - -# NVE ensemble -fix 1 all nve/dot -#fix 1 all nve/dotc/langevin ${T} ${T} 0.03 457145 angmom 10 -#fix 1 all nve/asphere -#fix 2 all langevin ${T} ${T} 0.03 457145 angmom 10 - -timestep 1e-5 - -#comm_style tiled -#fix 3 all balance 10000 1.1 rcb -comm_modify cutoff 2.5 - -#compute mol all chunk/atom molecule -#compute mychunk all vcm/chunk mol -#fix 4 all ave/time 10000 1 10000 c_mychunk[1] c_mychunk[2] c_mychunk[3] file vcm.txt mode vector - -#dump pos all xyz ${ofreq} traj.${number}.xyz - -#compute quat all property/atom quatw quati quatj quatk -#dump quat all custom ${ofreq} quat.${number}.txt id c_quat[1] c_quat[2] c_quat[3] c_quat[4] -#dump_modify quat sort id -#dump_modify quat format line "%d %13.6le %13.6le %13.6le %13.6le" - -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}.txt id x y z vx vy vz fx fy fz tqx tqy tqz -#dump_modify out sort id -#dump_modify out format line "%d %13.6le %13.6le %13.6le %13.6le %13.6le %13.6le %13.6le %13.6le %13.6le %13.6le %13.6le %13.6le" - -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 = 2.6274048 - ghost atom cutoff = 2.6274048 - binsize = 1.3137024, bins = 31 31 31 - 6 neighbor lists, perpetual/occasional/extra = 6 0 0 - (1) pair oxdna2/excv, perpetual - attributes: half, newton off - pair build: half/bin/newtoff - stencil: half/bin/3d/newtoff - bin: standard - (2) pair oxdna2/stk, perpetual, copy from (1) - attributes: half, newton off - pair build: copy - stencil: none - bin: none - (3) pair oxdna2/hbond, perpetual, copy from (1) - attributes: half, newton off - pair build: copy - stencil: none - bin: none - (4) pair oxdna2/xstk, perpetual, copy from (1) - attributes: half, newton off - pair build: copy - stencil: none - bin: none - (5) pair oxdna2/coaxstk, perpetual, copy from (1) - attributes: half, newton off - pair build: copy - stencil: none - bin: none - (6) pair oxdna2/dh, perpetual, copy from (1) - attributes: half, newton off - pair build: copy - stencil: none - bin: none -WARNING: Communication cutoff adjusted to 2.627404783947349 (../comm.cpp:690) -0 ekin = 0 | erot = 0 | epot = -14.6175140343334 | etot = -14.6175140343334 -Per MPI rank memory allocation (min/avg/max) = 8.021 | 8.021 | 8.021 Mbytes -Step Temp E_pair E_mol TotEng Press - 0 0 -1.4712768 0.009525411 -1.4617514 4.663076e-06 -1000 ekin = 0.00113086229080528 | erot = 0.0043101016040658 | epot = -14.6229549982368 | etot = -14.617514034342 -2000 ekin = 0.0044853322434243 | erot = 0.0171407706505008 | epot = -14.6391401372615 | etot = -14.6175140343675 -3000 ekin = 0.00995035259649285 | erot = 0.0381961780846484 | epot = -14.6656605650904 | etot = -14.6175140344093 -4000 ekin = 0.0173418024862054 | erot = 0.0669935184860634 | epot = -14.7018493554381 | etot = -14.6175140344659 -5000 ekin = 0.0264109356286075 | erot = 0.102878288094517 | epot = -14.7468032582586 | etot = -14.6175140345355 -6000 ekin = 0.0368533113591442 | erot = 0.14504542056987 | epot = -14.7994127665447 | etot = -14.6175140346157 -7000 ekin = 0.0483200640564843 | erot = 0.192565862515508 | epot = -14.8583999612756 | etot = -14.6175140347036 -8000 ekin = 0.0604312317605998 | erot = 0.244417870131508 | epot = -14.9223631366883 | etot = -14.6175140347962 -9000 ekin = 0.0727907119671751 | erot = 0.299521949931839 | epot = -14.989826696789 | etot = -14.6175140348899 -10000 ekin = 0.0850022498875221 | erot = 0.356777997217902 | epot = -15.0592942820869 | etot = -14.6175140349815 -11000 ekin = 0.0966857134041704 | erot = 0.415102860829614 | epot = -15.1293026093013 | etot = -14.6175140350675 -12000 ekin = 0.107492790688446 | erot = 0.473466334178045 | epot = -15.1984731600115 | etot = -14.617514035145 -13000 ekin = 0.117121180381715 | erot = 0.530923485009724 | epot = -15.2655587006029 | etot = -14.6175140352115 -14000 ekin = 0.125326348459166 | erot = 0.586641324447693 | epot = -15.329481708172 | etot = -14.6175140352651 -15000 ekin = 0.131930017119452 | erot = 0.639918104234695 | epot = -15.389362156659 | etot = -14.6175140353048 -16000 ekin = 0.136824741331535 | erot = 0.690194029501056 | epot = -15.4445328061632 | etot = -14.6175140353306 -17000 ekin = 0.139974218116303 | erot = 0.73705286614779 | epot = -15.4945411196072 | etot = -14.6175140353432 -18000 ekin = 0.141409342139924 | erot = 0.780214750583505 | epot = -15.5391381280674 | etot = -14.617514035344 -19000 ekin = 0.14122042490348 | erot = 0.819521373491594 | epot = -15.5782558337303 | etot = -14.6175140353352 -20000 ekin = 0.139546371890615 | erot = 0.854915474127934 | epot = -15.6119758813378 | etot = -14.6175140353193 -21000 ekin = 0.136561897558623 | erot = 0.886417110947779 | epot = -15.6404930438051 | etot = -14.6175140352987 -22000 ekin = 0.132464002543739 | erot = 0.914099368829953 | epot = -15.6640774066495 | etot = -14.6175140352758 -23000 ekin = 0.127458921012922 | erot = 0.938065991541773 | epot = -15.6830389478072 | etot = -14.6175140352525 -24000 ekin = 0.121750582423385 | erot = 0.958432936326242 | epot = -15.6976975539802 | etot = -14.6175140352305 -25000 ekin = 0.115531361418989 | erot = 0.97531514293118 | epot = -15.7083605395609 | etot = -14.6175140352107 -26000 ekin = 0.108975565586104 | erot = 0.988819027952036 | epot = -15.7153086287315 | etot = -14.6175140351934 -27000 ekin = 0.102235785319049 | erot = 0.999040485514132 | epot = -15.7187903060115 | etot = -14.6175140351783 -28000 ekin = 0.095441943431881 | erot = 1.00606759140964 | epot = -15.7190235700066 | etot = -14.6175140351651 -29000 ekin = 0.0887026587343887 | erot = 1.00998681843601 | epot = -15.7162035123233 | etot = -14.6175140351529 -30000 ekin = 0.0821083868014372 | erot = 1.01089138149893 | epot = -15.7105138034411 | etot = -14.6175140351407 -31000 ekin = 0.0757357206087773 | erot = 1.00889031641317 | epot = -15.7021400721498 | etot = -14.6175140351278 -32000 ekin = 0.0696522149388972 | erot = 1.00411701389994 | epot = -15.691283263952 | etot = -14.6175140351132 -33000 ekin = 0.0639211300028632 | erot = 0.996736133735177 | epot = -15.6781712988344 | etot = -14.6175140350964 -34000 ekin = 0.0586055597939536 | erot = 0.986948071943124 | epot = -15.6630676668141 | etot = -14.617514035077 -35000 ekin = 0.0537715085519321 | erot = 0.97499041461744 | epot = -15.6462759582244 | etot = -14.617514035055 -36000 ekin = 0.0494895953264297 | erot = 0.961136064967259 | epot = -15.6281396953245 | etot = -14.6175140350308 -37000 ekin = 0.0458351949405726 | erot = 0.945687966086967 | epot = -15.6090371960325 | etot = -14.617514035005 -38000 ekin = 0.0428869588016531 | erot = 0.928970560852795 | epot = -15.5893715546332 | etot = -14.6175140349787 -39000 ekin = 0.0407237982122988 | erot = 0.9113183396798 | epot = -15.5695561728451 | etot = -14.617514034953 -40000 ekin = 0.0394205547754457 | erot = 0.893062038097747 | epot = -15.5499966278026 | etot = -14.6175140349294 -41000 ekin = 0.0390427256107104 | erot = 0.874513269990878 | epot = -15.5310700305109 | etot = -14.6175140349093 -42000 ekin = 0.0396407506458402 | erot = 0.855948622306271 | epot = -15.5131034078461 | etot = -14.617514034894 -43000 ekin = 0.0412444930542154 | erot = 0.837594480923697 | epot = -15.4963530088628 | etot = -14.6175140348849 -44000 ekin = 0.0438586280730372 | erot = 0.819614069272971 | epot = -15.4809867322287 | etot = -14.6175140348826 -45000 ekin = 0.0474596621516281 | erot = 0.802098297010783 | epot = -15.4670719940501 | etot = -14.6175140348877 -46000 ekin = 0.0519951857192148 | erot = 0.785061947877571 | epot = -15.4545711684965 | etot = -14.6175140348997 -47000 ekin = 0.0573856747191636 | erot = 0.76844639238657 | epot = -15.4433461020232 | etot = -14.6175140349174 -48000 ekin = 0.0635286843632004 | erot = 0.75212933501618 | epot = -15.433172054319 | etot = -14.6175140349396 -49000 ekin = 0.070304673538874 | erot = 0.735941123250837 | epot = -15.4237598317539 | etot = -14.6175140349642 -50000 ekin = 0.0775831019857076 | erot = 0.719686007781425 | epot = -15.4147831447563 | etot = -14.6175140349892 -51000 ekin = 0.0852270843845694 | erot = 0.703165726695028 | epot = -15.4059068460928 | etot = -14.6175140350132 -52000 ekin = 0.0930950223451647 | erot = 0.686202231166125 | epot = -15.396811288546 | etot = -14.6175140350347 -53000 ekin = 0.101038429252995 | erot = 0.668656546988927 | epot = -15.3872090112954 | etot = -14.6175140350535 -54000 ekin = 0.10889654098061 | erot = 0.650441726174306 | epot = -15.3768523022246 | etot = -14.6175140350697 -55000 ekin = 0.116489881626234 | erot = 0.631529329348001 | epot = -15.3655332460579 | etot = -14.6175140350836 -56000 ekin = 0.12361610349192 | erot = 0.611950383382611 | epot = -15.35308052197 | etot = -14.6175140350954 -57000 ekin = 0.130051530401153 | erot = 0.591792721317295 | epot = -15.3393582868232 | etot = -14.6175140351048 -58000 ekin = 0.135560625193501 | erot = 0.571196690673292 | epot = -15.3242713509773 | etot = -14.6175140351105 -59000 ekin = 0.139913350827135 | erot = 0.550350463180279 | epot = -15.307777849119 | etot = -14.6175140351115 -60000 ekin = 0.142907875045794 | erot = 0.529485019662529 | epot = -15.2899069298147 | etot = -14.6175140351063 -61000 ekin = 0.144394224777542 | erot = 0.508867904998907 | epot = -15.2707761648706 | etot = -14.6175140350941 -62000 ekin = 0.144294003785763 | erot = 0.488794507592477 | epot = -15.2506025464531 | etot = -14.6175140350748 -63000 ekin = 0.142612256998146 | erot = 0.469576039421557 | epot = -15.2297023314688 | etot = -14.6175140350491 -64000 ekin = 0.139439544726902 | erot = 0.45152434495459 | epot = -15.2084779247003 | etot = -14.6175140350188 -65000 ekin = 0.134944526553566 | erot = 0.434934714913839 | epot = -15.1873932764535 | etot = -14.6175140349861 -66000 ekin = 0.129359146358223 | erot = 0.420068607767106 | epot = -15.1669417890788 | etot = -14.6175140349535 -67000 ekin = 0.122959458764236 | erot = 0.407138362059705 | epot = -15.1476118557469 | etot = -14.617514034923 -68000 ekin = 0.116045210525559 | erot = 0.396295631876262 | epot = -15.1298548772986 | etot = -14.6175140348968 -69000 ekin = 0.108920722072365 | erot = 0.38762458997195 | epot = -15.1140593469202 | etot = -14.6175140348758 -70000 ekin = 0.101878740729572 | erot = 0.381140173640836 | epot = -15.1005329492313 | etot = -14.6175140348609 -71000 ekin = 0.0951880561484016 | erot = 0.376791007701538 | epot = -15.0894930987019 | etot = -14.617514034852 -72000 ekin = 0.0890849677261927 | erot = 0.374466237250371 | epot = -15.0810652398255 | etot = -14.6175140348489 -73000 ekin = 0.0837682427021612 | erot = 0.374005347599889 | epot = -15.0752876251531 | etot = -14.617514034851 -74000 ekin = 0.0793969849744096 | erot = 0.375210076750601 | epot = -15.0721210965825 | etot = -14.6175140348575 -75000 ekin = 0.0760907865069267 | erot = 0.377857644572265 | epot = -15.0714624659463 | etot = -14.6175140348671 -76000 ekin = 0.0739315834908328 | erot = 0.381714646755152 | epot = -15.0731602651247 | etot = -14.6175140348788 -77000 ekin = 0.0729667273608161 | erot = 0.386551032956121 | epot = -15.0770317952083 | etot = -14.6175140348914 -78000 ekin = 0.073212865507933 | erot = 0.392153586683229 | epot = -15.0828804870951 | etot = -14.617514034904 -79000 ekin = 0.074660287835072 | erot = 0.398338263929461 | epot = -15.09051258668 | etot = -14.6175140349155 -80000 ekin = 0.0772774298944847 | erot = 0.404960669863083 | epot = -15.0997521346826 | etot = -14.6175140349251 -81000 ekin = 0.0810152396746107 | erot = 0.411923913359048 | epot = -15.1104531879657 | etot = -14.617514034932 -82000 ekin = 0.0858111278279411 | erot = 0.419183131304986 | epot = -15.1225082940691 | etot = -14.6175140349362 -83000 ekin = 0.0915922459205373 | erot = 0.426746154030553 | epot = -15.1358524348887 | etot = -14.6175140349376 -84000 ekin = 0.0982778862653023 | erot = 0.434670094582779 | epot = -15.1504620157846 | etot = -14.6175140349365 -85000 ekin = 0.105780875252123 | erot = 0.443054055542032 | epot = -15.1663489657278 | etot = -14.6175140349337 -86000 ekin = 0.114007936320491 | erot = 0.452028591870552 | epot = -15.183550563121 | etot = -14.6175140349299 -87000 ekin = 0.122859117093021 | erot = 0.461742961599068 | epot = -15.2021161136185 | etot = -14.6175140349264 -88000 ekin = 0.132226490250365 | erot = 0.472351454260961 | epot = -15.2220919794351 | etot = -14.6175140349238 -89000 ekin = 0.14199243043518 | erot = 0.484000150228927 | epot = -15.2435066155872 | etot = -14.6175140349231 -90000 ekin = 0.152027823848745 | erot = 0.49681531383988 | epot = -15.2663571726137 | etot = -14.6175140349251 -91000 ekin = 0.162190574344125 | erot = 0.510894287760631 | epot = -15.2905988970349 | etot = -14.6175140349302 -92000 ekin = 0.172324730223241 | erot = 0.526299304076712 | epot = -15.3161380692387 | etot = -14.6175140349387 -93000 ekin = 0.182260479602514 | erot = 0.543054150883983 | epot = -15.342828665437 | etot = -14.6175140349505 -94000 ekin = 0.191815166424497 | erot = 0.561143224560487 | epot = -15.3704724259505 | etot = -14.6175140349655 -95000 ekin = 0.200795384589871 | erot = 0.580512230413669 | epot = -15.398821649987 | etot = -14.6175140349834 -96000 ekin = 0.209000133284301 | erot = 0.601069706845445 | epot = -15.4275838751336 | etot = -14.6175140350039 -97000 ekin = 0.216224974983076 | erot = 0.622688639933065 | epot = -15.4564276499427 | etot = -14.6175140350266 -98000 ekin = 0.222267131485452 | erot = 0.645207670246426 | epot = -15.4849888367829 | etot = -14.617514035051 -99000 ekin = 0.226931474008822 | erot = 0.668431711040234 | epot = -15.5128772201258 | etot = -14.6175140350768 -100000 ekin = 0.230037392185194 | erot = 0.692132125756912 | epot = -15.5396835530455 | etot = -14.6175140351034 -101000 ekin = 0.231426538774339 | erot = 0.716046886549487 | epot = -15.5649874604541 | etot = -14.6175140351302 -102000 ekin = 0.230971416186116 | erot = 0.739881303910906 | epot = -15.5883667552535 | etot = -14.6175140351565 -103000 ekin = 0.228584676860968 | erot = 0.763309953365433 | epot = -15.6094086654079 | etot = -14.6175140351815 -104000 ekin = 0.224228843046698 | erot = 0.785980326921886 | epot = -15.6277232051725 | etot = -14.6175140352039 -105000 ekin = 0.217925953180593 | erot = 0.807518535460022 | epot = -15.6429585238635 | etot = -14.6175140352229 -106000 ekin = 0.209766205881976 | erot = 0.827537066837565 | epot = -15.6548173079567 | etot = -14.6175140352372 -107000 ekin = 0.19991466311948 | erot = 0.845644346598459 | epot = -15.6630730449638 | etot = -14.6175140352459 -108000 ekin = 0.188614735691129 | erot = 0.861455562303715 | epot = -15.6675843332431 | etot = -14.6175140352483 -109000 ekin = 0.176187061061687 | erot = 0.874603999194433 | epot = -15.6683050955002 | etot = -14.6175140352441 -110000 ekin = 0.163022626611995 | erot = 0.88475208463374 | epot = -15.6652887464792 | etot = -14.6175140352335 -111000 ekin = 0.14956938211077 | erot = 0.89160140093568 | epot = -15.6586848182637 | etot = -14.6175140352173 -112000 ekin = 0.136312261124986 | erot = 0.8949011206007 | epot = -15.6487274169225 | etot = -14.6175140351968 -113000 ekin = 0.123747404857758 | erot = 0.894454602033368 | epot = -15.6357160420648 | etot = -14.6175140351736 -114000 ekin = 0.112352324429831 | erot = 0.890124196452667 | epot = -15.6199905560322 | etot = -14.6175140351497 -115000 ekin = 0.102554569787556 | erot = 0.881834585426713 | epot = -15.6019031903412 | etot = -14.6175140351269 -116000 ekin = 0.0947020047096738 | erot = 0.869575126614186 | epot = -15.5817911664307 | etot = -14.6175140351068 -117000 ekin = 0.0890378681937318 | erot = 0.853401690493949 | epot = -15.559953593778 | etot = -14.6175140350903 -118000 ekin = 0.0856833736308548 | erot = 0.833438318818926 | epot = -15.5366357275277 | etot = -14.6175140350779 -119000 ekin = 0.0846297171118248 | erot = 0.809878764032089 | epot = -15.5120225162133 | etot = -14.6175140350694 -120000 ekin = 0.0857402026936468 | erot = 0.782987649501416 | epot = -15.4862418872589 | etot = -14.6175140350638 -121000 ekin = 0.088761978164944 | erot = 0.753100709615785 | epot = -15.4593767228408 | etot = -14.61751403506 -122000 ekin = 0.0933458418336512 | erot = 0.720623403982127 | epot = -15.4314832808722 | etot = -14.6175140350564 -123000 ekin = 0.0990718975139699 | erot = 0.68602719834959 | epot = -15.4026131309152 | etot = -14.6175140350516 -124000 ekin = 0.105478567535099 | erot = 0.649842971567299 | epot = -15.3728355741467 | etot = -14.6175140350443 -125000 ekin = 0.112092583657528 | erot = 0.61265130691034 | epot = -15.3422579256011 | etot = -14.6175140350332 -126000 ekin = 0.118457948670349 | erot = 0.575069793125981 | epot = -15.3110417768144 | etot = -14.617514035018 -127000 ekin = 0.124162352097832 | erot = 0.537737821903371 | epot = -15.2794142089993 | etot = -14.6175140349981 -128000 ekin = 0.128860000475183 | erot = 0.501299660072983 | epot = -15.2476736955218 | etot = -14.6175140349736 -129000 ekin = 0.132290197681538 | erot = 0.466386755141783 | epot = -15.2161909877681 | etot = -14.6175140349448 -130000 ekin = 0.134291248323408 | erot = 0.433600287194685 | epot = -15.1854055704302 | etot = -14.6175140349121 -131000 ekin = 0.134809368079367 | erot = 0.403494917851113 | epot = -15.1558183208069 | etot = -14.6175140348764 -132000 ekin = 0.133902311413259 | erot = 0.376564532721602 | epot = -15.1279808789733 | etot = -14.6175140348385 -133000 ekin = 0.131737425950174 | erot = 0.353230559449875 | epot = -15.1024820201993 | etot = -14.6175140347993 -134000 ekin = 0.128583872250139 | erot = 0.333833200745338 | epot = -15.0799311077557 | etot = -14.6175140347602 -135000 ekin = 0.124798858319487 | erot = 0.31862567876175 | epot = -15.0609385718037 | etot = -14.6175140347224 -136000 ekin = 0.12080796695122 | erot = 0.307771366705934 | epot = -15.0460933683448 | etot = -14.6175140346877 -137000 ekin = 0.117080018573556 | erot = 0.301343503849859 | epot = -15.0359375570811 | etot = -14.6175140346577 -138000 ekin = 0.114097404451637 | erot = 0.299327064918768 | epot = -15.0309385040046 | etot = -14.6175140346342 -139000 ekin = 0.112323403877397 | erot = 0.301622293047273 | epot = -15.0314597315437 | etot = -14.6175140346191 -140000 ekin = 0.112168587317134 | erot = 0.308049410073558 | epot = -15.0377320320047 | etot = -14.617514034614 -141000 ekin = 0.113958896787483 | erot = 0.318354084563277 | epot = -15.0498270159712 | etot = -14.6175140346204 -142000 ekin = 0.117908250110044 | erot = 0.332213334114174 | epot = -15.0676356188633 | etot = -14.6175140346391 -143000 ekin = 0.124098500240116 | erot = 0.349241744868859 | epot = -15.0908542797794 | etot = -14.6175140346704 -144000 ekin = 0.132469049162244 | erot = 0.36899804234383 | epot = -15.1189811262199 | etot = -14.6175140347138 -145000 ekin = 0.142817534773294 | erot = 0.390992018433025 | epot = -15.1513235879745 | etot = -14.6175140347682 -146000 ekin = 0.154812002594044 | erot = 0.414692148538822 | epot = -15.1870181859643 | etot = -14.6175140348315 -147000 ekin = 0.168013608208165 | erot = 0.43953414756317 | epot = -15.2250617906724 | etot = -14.6175140349011 -148000 ekin = 0.181907755044192 | erot = 0.46493071599216 | epot = -15.2643525060103 | etot = -14.617514034974 -149000 ekin = 0.195940689918404 | erot = 0.490282644230507 | epot = -15.3037373691959 | etot = -14.6175140350469 -150000 ekin = 0.209558115498161 | erot = 0.514991307802203 | epot = -15.3420634584171 | etot = -14.6175140351168 -151000 ekin = 0.222242375358722 | erot = 0.538472447669863 | epot = -15.3782288582089 | etot = -14.6175140351803 -152000 ekin = 0.233545181100895 | erot = 0.560170967504241 | epot = -15.4112301838403 | etot = -14.6175140352351 -153000 ekin = 0.243113638171897 | erot = 0.579575715963473 | epot = -15.4402033894145 | etot = -14.6175140352791 -154000 ekin = 0.250708030719563 | erot = 0.596234520730074 | epot = -15.4644565867606 | etot = -14.617514035311 -155000 ekin = 0.256210874594961 | erot = 0.609768185048496 | epot = -15.4834930949732 | etot = -14.6175140353298 -156000 ekin = 0.259627463842806 | erot = 0.619882772314079 | epot = -15.4970242714923 | etot = -14.6175140353354 -157000 ekin = 0.26107875673392 | erot = 0.626379517381585 | epot = -15.5049723094438 | etot = -14.6175140353283 -158000 ekin = 0.260787877594978 | erot = 0.629161788909624 | epot = -15.5074637018139 | etot = -14.6175140353093 -159000 ekin = 0.259061752299553 | erot = 0.628238692725195 | epot = -15.5048144803046 | etot = -14.6175140352799 -160000 ekin = 0.256269476948141 | erot = 0.623725097357881 | epot = -15.4975086095477 | etot = -14.6175140352417 -161000 ekin = 0.252818974262866 | erot = 0.615838055765116 | epot = -15.4861710652245 | etot = -14.6175140351965 -162000 ekin = 0.249133354781009 | erot = 0.604889772114047 | epot = -15.4715371620415 | etot = -14.6175140351465 -163000 ekin = 0.245628201594233 | erot = 0.591277407066157 | epot = -15.4544196437542 | etot = -14.6175140350938 -164000 ekin = 0.242690765770646 | erot = 0.5754701254003 | epot = -15.4356749262112 | etot = -14.6175140350402 -165000 ekin = 0.240661818237773 | erot = 0.557993868664013 | epot = -15.4161697218898 | etot = -14.617514034988 -166000 ekin = 0.239820672159938 | erot = 0.539414388849556 | epot = -15.3967490959484 | etot = -14.6175140349389 -167000 ekin = 0.24037368261711 | erot = 0.520319112884873 | epot = -15.3782068303964 | etot = -14.6175140348944 -168000 ekin = 0.24244635767351 | erot = 0.501298426047331 | epot = -15.3612588185771 | etot = -14.6175140348562 -169000 ekin = 0.246079081489649 | erot = 0.482926967022199 | epot = -15.3465200833372 | etot = -14.6175140348253 -170000 ekin = 0.2512263556708 | erot = 0.465745518941327 | epot = -15.334485909415 | etot = -14.6175140348028 -171000 ekin = 0.257759407502687 | erot = 0.450244072412507 | epot = -15.3255175147045 | etot = -14.6175140347893 -172000 ekin = 0.265471962315305 | erot = 0.436846557572436 | epot = -15.3198325546728 | etot = -14.617514034785 -173000 ekin = 0.274088992052948 | erot = 0.425897760801831 | epot = -15.3175007876449 | etot = -14.6175140347901 -174000 ekin = 0.283278228108448 | erot = 0.417652965987037 | epot = -15.3184452288997 | etot = -14.6175140348042 -175000 ekin = 0.292664164217591 | erot = 0.412270652066437 | epot = -15.3224488511105 | etot = -14.6175140348264 -176000 ekin = 0.301844276744599 | erot = 0.409808663992694 | epot = -15.3291669755931 | etot = -14.6175140348558 -177000 ekin = 0.310407103278429 | erot = 0.410224178772685 | epot = -15.3381453169418 | etot = -14.6175140348907 -178000 ekin = 0.317951707449239 | erot = 0.413377690532346 | epot = -15.3488434329111 | etot = -14.6175140349295 -179000 ekin = 0.324107901132174 | erot = 0.419041092198358 | epot = -15.3606630283006 | etot = -14.6175140349701 -180000 ekin = 0.328556397749118 | erot = 0.426909726006353 | epot = -15.3729801587658 | etot = -14.6175140350103 -181000 ekin = 0.331047834154798 | erot = 0.436618006901549 | epot = -15.3851798761042 | etot = -14.6175140350478 -182000 ekin = 0.331419420115411 | erot = 0.447757936313848 | epot = -15.3966913915096 | etot = -14.6175140350804 -183000 ekin = 0.329607792338432 | erot = 0.459899520064776 | epot = -15.4070213475094 | etot = -14.6175140351062 -184000 ekin = 0.325656516855951 | erot = 0.472611792132538 | epot = -15.4157823441122 | etot = -14.6175140351237 -185000 ekin = 0.319716934488103 | erot = 0.485483030926984 | epot = -15.4227140005474 | etot = -14.6175140351323 -186000 ekin = 0.312041347783061 | erot = 0.498138700397667 | epot = -15.4276940833127 | etot = -14.6175140351319 -187000 ekin = 0.302968200961952 | erot = 0.510255791848641 | epot = -15.4307380279341 | etot = -14.6175140351235 -188000 ekin = 0.292899787357099 | erot = 0.521572552051206 | epot = -15.4319863745165 | etot = -14.6175140351082 -189000 ekin = 0.282274048056294 | erot = 0.531893031493142 | epot = -15.4316811146379 | etot = -14.6175140350885 -190000 ekin = 0.271533034589587 | erot = 0.541086413296707 | epot = -15.4301334829529 | etot = -14.6175140350666 -191000 ekin = 0.261091384545769 | erot = 0.54908161018572 | epot = -15.4276870297764 | etot = -14.6175140350449 -192000 ekin = 0.251308489708551 | erot = 0.555858063434352 | epot = -15.4246805881686 | etot = -14.6175140350257 -193000 ekin = 0.242467771120031 | erot = 0.561433978654736 | epot = -15.4214157847852 | etot = -14.6175140350104 -194000 ekin = 0.2347655816246 | erot = 0.565853352187793 | epot = -15.4181329688123 | etot = -14.6175140349999 -195000 ekin = 0.228310848061445 | erot = 0.569173077812631 | epot = -15.4149979608682 | etot = -14.6175140349941 -196000 ekin = 0.223134890550306 | erot = 0.57145120860725 | epot = -15.4121001341502 | etot = -14.6175140349926 -197000 ekin = 0.219209242156003 | erot = 0.572737138233763 | epot = -15.409460415384 | etot = -14.6175140349943 -198000 ekin = 0.216468062809104 | erot = 0.573064123808166 | epot = -15.4070462216152 | etot = -14.6175140349979 -199000 ekin = 0.214831137522652 | erot = 0.572444258403913 | epot = -15.4047894309289 | etot = -14.6175140350023 -200000 ekin = 0.214223573902254 | erot = 0.57086576066316 | epot = -15.4026033695722 | etot = -14.6175140350067 -201000 ekin = 0.214589119166907 | erot = 0.568292309386801 | epot = -15.4003954635645 | etot = -14.6175140350107 -202000 ekin = 0.215895325602457 | erot = 0.564664121433424 | epot = -15.3980734820503 | etot = -14.6175140350145 -203000 ekin = 0.218130347570136 | erot = 0.559900543318492 | epot = -15.395544925907 | etot = -14.6175140350184 -204000 ekin = 0.221292667473869 | erot = 0.553904074217835 | epot = -15.3927107767149 | etot = -14.6175140350232 -205000 ekin = 0.225376258610798 | erot = 0.546565915588112 | epot = -15.3894562092286 | etot = -14.6175140350297 -206000 ekin = 0.230354397529151 | erot = 0.537773288683187 | epot = -15.3856417212507 | etot = -14.6175140350384 -207000 ekin = 0.236165428414771 | erot = 0.527418806929786 | epot = -15.3810982703936 | etot = -14.617514035049 -208000 ekin = 0.242703261860427 | erot = 0.515412077175151 | epot = -15.3756293740966 | etot = -14.617514035061 -209000 ekin = 0.249814382550021 | erot = 0.501693407691568 | epot = -15.3690218253148 | etot = -14.6175140350732 -210000 ekin = 0.257301864855649 | erot = 0.486249049965564 | epot = -15.361064949905 | etot = -14.6175140350838 -211000 ekin = 0.264935635394273 | erot = 0.469126912720557 | epot = -15.3515765832057 | etot = -14.6175140350909 -212000 ekin = 0.272467183646406 | erot = 0.450451153648061 | epot = -15.3404323723872 | etot = -14.6175140350927 -213000 ekin = 0.279646306736793 | erot = 0.430433702677846 | epot = -15.3275940445023 | etot = -14.6175140350876 -214000 ekin = 0.286237611276688 | erot = 0.409381288017783 | epot = -15.3131329343691 | etot = -14.6175140350746 -215000 ekin = 0.292034643872632 | erot = 0.387696263734527 | epot = -15.2972449426606 | etot = -14.6175140350534 -216000 ekin = 0.296870258152624 | erot = 0.365870567411729 | epot = -15.2802548605889 | etot = -14.6175140350245 -217000 ekin = 0.300622666324868 | erot = 0.344472695102956 | epot = -15.2626093964168 | etot = -14.617514034989 -218000 ekin = 0.303217269541043 | erot = 0.324128407398458 | epot = -15.2448597118882 | etot = -14.6175140349487 -219000 ekin = 0.304624843911682 | erot = 0.305496496152239 | epot = -15.2276353749694 | etot = -14.6175140349055 -220000 ekin = 0.304856982073792 | erot = 0.289241221676068 | epot = -15.2116122386118 | etot = -14.6175140348619 -221000 ekin = 0.303959749544065 | erot = 0.276003133762455 | epot = -15.1974769181266 | etot = -14.61751403482 -222000 ekin = 0.302006434070655 | erot = 0.266369862265548 | epot = -15.1858903311184 | etot = -14.6175140347822 -223000 ekin = 0.299090105490396 | erot = 0.260848208954625 | epot = -15.1774523491954 | etot = -14.6175140347503 -224000 ekin = 0.29531650374511 | erot = 0.259838588557332 | epot = -15.1726691270288 | etot = -14.6175140347264 -225000 ekin = 0.290797600317434 | erot = 0.263612591735795 | epot = -15.1719242267649 | etot = -14.6175140347117 -226000 ekin = 0.285646103232653 | erot = 0.272294318080247 | epot = -15.1754544560203 | etot = -14.6175140347074 -227000 ekin = 0.279971018689074 | erot = 0.285846075011501 | epot = -15.1833311284151 | etot = -14.6175140347145 -228000 ekin = 0.273874374727583 | erot = 0.304059069119542 | epot = -15.1954474785804 | etot = -14.6175140347333 -229000 ekin = 0.267449174159942 | erot = 0.326549807965912 | epot = -15.2115130168895 | etot = -14.6175140347636 -230000 ekin = 0.260778614118952 | erot = 0.352763004039877 | epot = -15.2310556529637 | etot = -14.6175140348048 -231000 ekin = 0.253936564976955 | erot = 0.381981763344646 | epot = -15.2534323631772 | etot = -14.6175140348556 -232000 ekin = 0.24698923084228 | erot = 0.413345683736504 | epot = -15.2778489494931 | etot = -14.6175140349143 -233000 ekin = 0.239997814735683 | erot = 0.445877135783545 | epot = -15.3033889854978 | etot = -14.6175140349785 -234000 ekin = 0.233021891669698 | erot = 0.478515439398703 | epot = -15.3290513661138 | etot = -14.6175140350454 -235000 ekin = 0.226123071286244 | erot = 0.510157919201248 | epot = -15.3537950255994 | etot = -14.6175140351119 -236000 ekin = 0.219368436952614 | erot = 0.539706010633753 | epot = -15.3765884827609 | etot = -14.6175140351745 -237000 ekin = 0.212833212708479 | erot = 0.566113832023268 | epot = -15.3964610799618 | etot = -14.6175140352301 -238000 ekin = 0.206602165162757 | erot = 0.588436180449468 | epot = -15.412552380888 | etot = -14.6175140352757 -239000 ekin = 0.200769360307635 | erot = 0.605872583258753 | epot = -15.4241559788757 | etot = -14.6175140353093 -240000 ekin = 0.195436190928488 | erot = 0.617803458378408 | epot = -15.4307536846362 | etot = -14.6175140353293 -241000 ekin = 0.190707920284559 | erot = 0.623817360381655 | epot = -15.4320393160013 | etot = -14.6175140353351 -242000 ekin = 0.186689132523883 | erot = 0.623726737660644 | epot = -15.4279299055112 | etot = -14.6175140353267 -243000 ekin = 0.18347888087463 | erot = 0.61757185737741 | epot = -15.418564773557 | etot = -14.617514035305 -244000 ekin = 0.181166166759762 | erot = 0.60561292371356 | epot = -15.4042931257446 | etot = -14.6175140352713 -245000 ekin = 0.179826690515581 | erot = 0.588311983398978 | epot = -15.3856527091421 | etot = -14.6175140352276 -246000 ekin = 0.179521473344392 | erot = 0.566306329740652 | epot = -15.3633418382609 | etot = -14.6175140351758 -247000 ekin = 0.180297726608685 | erot = 0.54037552872489 | epot = -15.3381872904519 | etot = -14.6175140351184 -248000 ekin = 0.182192022180427 | erot = 0.511404282992934 | epot = -15.3111103402306 | etot = -14.6175140350572 -249000 ekin = 0.185235475058219 | erot = 0.480343275338998 | epot = -15.2830927853917 | etot = -14.6175140349945 -250000 ekin = 0.18946032457762 | erot = 0.448169956263045 | epot = -15.2551443157728 | etot = -14.6175140349321 -251000 ekin = 0.194907020011059 | erot = 0.415851007133659 | epot = -15.2282720620165 | etot = -14.6175140348718 -252000 ekin = 0.201630699422451 | erot = 0.384307951122869 | epot = -15.2034526853603 | etot = -14.617514034815 -253000 ekin = 0.209705815254746 | erot = 0.354387113740477 | epot = -15.1816069637584 | etot = -14.6175140347632 -254000 ekin = 0.219227629545986 | erot = 0.326834860919931 | epot = -15.1635765251836 | etot = -14.6175140347177 -255000 ekin = 0.230309407956005 | erot = 0.302278768995696 | epot = -15.1501022116313 | etot = -14.6175140346796 -256000 ekin = 0.243074422920893 | erot = 0.281215109558497 | epot = -15.1418035671295 | etot = -14.6175140346501 -257000 ekin = 0.257642364628865 | erot = 0.264002762945737 | epot = -15.139159162205 | etot = -14.6175140346304 -258000 ekin = 0.274110461102935 | erot = 0.250863404057276 | epot = -15.1424878997817 | etot = -14.6175140346215 -259000 ekin = 0.292530483428745 | erot = 0.241887528332562 | epot = -15.1519320463858 | etot = -14.6175140346245 -260000 ekin = 0.312883750214262 | erot = 0.237045600990929 | epot = -15.167443385845 | etot = -14.6175140346398 -261000 ekin = 0.335057071665646 | erot = 0.23620332462488 | epot = -15.1887744309582 | etot = -14.6175140346677 -262000 ekin = 0.358823075932977 | erot = 0.239139750883904 | epot = -15.2154768615246 | etot = -14.6175140347077 -263000 ekin = 0.383828346058697 | erot = 0.24556675356939 | epot = -15.2469091343868 | etot = -14.6175140347588 -264000 ekin = 0.409592161639846 | erot = 0.25514829095879 | epot = -15.2822544874178 | etot = -14.6175140348192 -265000 ekin = 0.435517425641053 | erot = 0.267517972446926 | epot = -15.3205494329745 | etot = -14.6175140348865 -266000 ekin = 0.460913759434934 | erot = 0.28229374222826 | epot = -15.3607215366211 | etot = -14.6175140349579 -267000 ekin = 0.485031075314244 | erot = 0.299088986461549 | epot = -15.4016340968062 | etot = -14.6175140350304 -268000 ekin = 0.507100517474285 | erot = 0.317519986657596 | epot = -15.4421345392328 | etot = -14.6175140351009 -269000 ekin = 0.526378761164296 | erot = 0.337210258004039 | epot = -15.4811030543346 | etot = -14.6175140351662 -270000 ekin = 0.542191399558024 | erot = 0.357792786171182 | epot = -15.5174982209533 | etot = -14.6175140352241 -271000 ekin = 0.55397150127625 | erot = 0.378911394713957 | epot = -15.5503969312626 | etot = -14.6175140352724 -272000 ekin = 0.561290243477908 | erot = 0.400222387434508 | epot = -15.579026666222 | etot = -14.6175140353095 -273000 ekin = 0.563877614618956 | erot = 0.421397250044594 | epot = -15.6027888999983 | etot = -14.6175140353347 -274000 ekin = 0.561632338448697 | erot = 0.442126671656052 | epot = -15.6212730454525 | etot = -14.6175140353478 -275000 ekin = 0.554621238225524 | erot = 0.462125606775959 | epot = -15.6342608803503 | etot = -14.6175140353488 -276000 ekin = 0.543069132888247 | erot = 0.481138682332307 | epot = -15.6417218505594 | etot = -14.6175140353389 -277000 ekin = 0.527340979966703 | erot = 0.498945052082944 | epot = -15.6438000673687 | etot = -14.617514035319 -278000 ekin = 0.507918337218215 | erot = 0.515361832412993 | epot = -15.6407942049222 | etot = -14.617514035291 -279000 ekin = 0.485372319602766 | erot = 0.53024547360125 | epot = -15.6331318284605 | etot = -14.6175140352565 -280000 ekin = 0.460335116507262 | erot = 0.543490744710295 | epot = -15.6213398964351 | etot = -14.6175140352175 -281000 ekin = 0.433471859961099 | erot = 0.555027349455695 | epot = -15.606013244593 | etot = -14.6175140351762 -282000 ekin = 0.405454262481042 | erot = 0.564814480005611 | epot = -15.5877827776215 | etot = -14.6175140351348 -283000 ekin = 0.376937038993841 | erot = 0.572833827991569 | epot = -15.56728490208 | etot = -14.6175140350946 -284000 ekin = 0.348537747962758 | erot = 0.579081711929156 | epot = -15.5451334949486 | etot = -14.6175140350567 -285000 ekin = 0.320820372083395 | erot = 0.583561068644996 | epot = -15.5218954757513 | etot = -14.6175140350229 -286000 ekin = 0.294282726921591 | erot = 0.586274110944376 | epot = -15.49807087286 | etot = -14.617514034994 -287000 ekin = 0.269347634013421 | erot = 0.58721647590847 | epot = -15.4740781448926 | etot = -14.6175140349707 -288000 ekin = 0.246357704467551 | erot = 0.586373659771232 | epot = -15.450245399192 | etot = -14.6175140349532 -289000 ekin = 0.22557352214567 | erot = 0.583720426230562 | epot = -15.4268079833179 | etot = -14.6175140349417 -290000 ekin = 0.207174962818393 | erot = 0.57922365744791 | epot = -15.4039126552014 | etot = -14.6175140349351 -291000 ekin = 0.191265313940187 | erot = 0.572848780862473 | epot = -15.3816281297352 | etot = -14.6175140349326 -292000 ekin = 0.177877757396419 | erot = 0.564569470031942 | epot = -15.3599612623613 | etot = -14.617514034933 -293000 ekin = 0.166983649288418 | erot = 0.554379837681261 | epot = -15.3388775219044 | etot = -14.6175140349348 -294000 ekin = 0.158501898150678 | erot = 0.542307895558042 | epot = -15.3183238286452 | etot = -14.6175140349364 -295000 ekin = 0.152308641379645 | erot = 0.528428741575596 | epot = -15.298251417892 | etot = -14.6175140349367 -296000 ekin = 0.148246390134139 | erot = 0.512875830575803 | epot = -15.2786362556445 | etot = -14.6175140349346 -297000 ekin = 0.146131889948737 | erot = 0.495848833634457 | epot = -15.2594947585125 | etot = -14.6175140349293 -298000 ekin = 0.145762142540829 | erot = 0.477616979344766 | epot = -15.2408931568064 | etot = -14.6175140349208 -299000 ekin = 0.146918339842591 | erot = 0.458517327975552 | epot = -15.2229497027275 | etot = -14.6175140349094 -300000 ekin = 0.149367830717969 | erot = 0.438948042713275 | epot = -15.205829908327 | etot = -14.6175140348958 -301000 ekin = 0.152864610233931 | erot = 0.419357266834875 | epot = -15.1897359119496 | etot = -14.6175140348808 -302000 ekin = 0.157149122640062 | erot = 0.400228590599294 | epot = -15.1748917481051 | etot = -14.6175140348658 -303000 ekin = 0.16194834771892 | erot = 0.382064246008704 | epot = -15.1615266285792 | etot = -14.6175140348516 -304000 ekin = 0.166977167327322 | erot = 0.365367110080369 | epot = -15.1498583122469 | etot = -14.6175140348392 -305000 ekin = 0.171941885875759 | erot = 0.350622387002877 | epot = -15.1400783077083 | etot = -14.6175140348297 -306000 ekin = 0.176546522696758 | erot = 0.338279561365245 | epot = -15.1323401188853 | etot = -14.6175140348233 -307000 ekin = 0.180502080572099 | erot = 0.328734935092634 | epot = -15.1267510504853 | etot = -14.6175140348206 -308000 ekin = 0.183539117579173 | erot = 0.32231506851894 | epot = -15.1233682209196 | etot = -14.6175140348214 -309000 ekin = 0.185422589168761 | erot = 0.31926113518105 | epot = -15.1221977591756 | etot = -14.6175140348258 -310000 ekin = 0.18596838252546 | erot = 0.319714556778101 | epot = -15.1231969741369 | etot = -14.6175140348333 -311000 ekin = 0.185060444471766 | erot = 0.323704474533048 | epot = -15.1262789538485 | etot = -14.6175140348436 -312000 ekin = 0.18266705569995 | erot = 0.331137883754578 | epot = -15.1313189743107 | etot = -14.6175140348562 -313000 ekin = 0.178854671448202 | erot = 0.341793554574001 | epot = -15.1381622608926 | etot = -14.6175140348704 -314000 ekin = 0.173797674113419 | erot = 0.355321045101389 | epot = -15.1466327541005 | etot = -14.6175140348857 -315000 ekin = 0.167782440686126 | erot = 0.371246117949507 | epot = -15.1565425935371 | etot = -14.6175140349014 -316000 ekin = 0.161204347699483 | erot = 0.388983636697569 | epot = -15.1677020193138 | etot = -14.6175140349167 -317000 ekin = 0.154556738723145 | erot = 0.407858516720337 | epot = -15.1799292903744 | etot = -14.6175140349309 -318000 ekin = 0.148411457828143 | erot = 0.427134549770667 | epot = -15.1930600425422 | etot = -14.6175140349434 -319000 ekin = 0.143391260343367 | erot = 0.446049980955804 | epot = -15.2069552762529 | etot = -14.6175140349537 -320000 ekin = 0.140135163879429 | erot = 0.463857713006082 | epot = -15.2215069118471 | etot = -14.6175140349616 -321000 ekin = 0.139258496830789 | erot = 0.479867117343116 | epot = -15.2366396491412 | etot = -14.6175140349673 -322000 ekin = 0.141309963686665 | erot = 0.493483840953484 | epot = -15.2523078396112 | etot = -14.6175140349711 -323000 ekin = 0.146728465401823 | erot = 0.504243890594755 | epot = -15.2684863909706 | etot = -14.6175140349741 -324000 ekin = 0.155802740978128 | erot = 0.511838753068286 | epot = -15.285155529024 | etot = -14.6175140349776 -325000 ekin = 0.168637192339279 | erot = 0.516129344219886 | epot = -15.3022805715426 | etot = -14.6175140349834 -326000 ekin = 0.185127492740314 | erot = 0.517147991937071 | epot = -15.31978951967 | etot = -14.6175140349926 -327000 ekin = 0.204949583924698 | erot = 0.515089155112464 | epot = -15.3375527740434 | etot = -14.6175140350062 -328000 ekin = 0.227565145375698 | erot = 0.510290835145397 | epot = -15.3553700155455 | etot = -14.6175140350244 -329000 ekin = 0.252245305620947 | erot = 0.503209396461946 | epot = -15.3729687371292 | etot = -14.6175140350463 -330000 ekin = 0.278112223737838 | erot = 0.494390678508285 | epot = -15.3900169373164 | etot = -14.6175140350703 -331000 ekin = 0.304195517643728 | erot = 0.484439927615862 | epot = -15.4061494803532 | etot = -14.6175140350936 -332000 ekin = 0.329497983391289 | erot = 0.473992405220338 | epot = -15.4210044237253 | etot = -14.6175140351137 -333000 ekin = 0.353063353197021 | erot = 0.463685785197061 | epot = -15.4342631735221 | etot = -14.617514035128 -334000 ekin = 0.374038491014966 | erot = 0.454134842084351 | epot = -15.4456873682339 | etot = -14.6175140351346 -335000 ekin = 0.391723520498624 | erot = 0.44590856262641 | epot = -15.4551461182577 | etot = -14.6175140351327 -336000 ekin = 0.405605581596876 | erot = 0.439509690041266 | epot = -15.4626293067607 | etot = -14.6175140351225 -337000 ekin = 0.415374601836511 | erot = 0.435356764652945 | epot = -15.4682454015947 | etot = -14.6175140351053 -338000 ekin = 0.420921997008494 | erot = 0.4337688621957 | epot = -15.4722048942871 | etot = -14.6175140350829 -339000 ekin = 0.422325110445994 | erot = 0.434953376212245 | epot = -15.4747925217162 | etot = -14.6175140350579 -340000 ekin = 0.419821259879065 | erot = 0.438997304560045 | epot = -15.4763325994719 | etot = -14.6175140350328 -341000 ekin = 0.413775534579932 | erot = 0.445862573585468 | epot = -15.4771521431752 | etot = -14.6175140350098 -342000 ekin = 0.404646174019828 | erot = 0.455385967573506 | epot = -15.4775461765844 | etot = -14.617514034991 -343000 ekin = 0.392950705832007 | erot = 0.467284215126369 | epot = -15.4777489559361 | etot = -14.6175140349777 -344000 ekin = 0.379235231728315 | erot = 0.481164689425287 | epot = -15.4779139561242 | etot = -14.6175140349706 -345000 ekin = 0.364048459932831 | erot = 0.49654196729344 | epot = -15.4781044621959 | etot = -14.6175140349696 -346000 ekin = 0.347921358320248 | erot = 0.512860132814242 | epot = -15.4782955261082 | etot = -14.6175140349738 -347000 ekin = 0.331352665808313 | erot = 0.529520204052381 | epot = -15.4783869048424 | etot = -14.6175140349817 -348000 ekin = 0.314799955037007 | erot = 0.545911447468509 | epot = -15.478225437497 | etot = -14.6175140349915 -349000 ekin = 0.298675493175969 | erot = 0.561444708833552 | epot = -15.4776342370106 | etot = -14.6175140350011 -350000 ekin = 0.28334581552179 | erot = 0.575585348315622 | epot = -15.4764451988457 | etot = -14.6175140350083 -351000 ekin = 0.269133730328657 | erot = 0.587883045338955 | epot = -15.474530810679 | etot = -14.6175140350114 -352000 ekin = 0.256321431306528 | erot = 0.597995738138102 | epot = -15.4718312044538 | etot = -14.6175140350092 -353000 ekin = 0.245153509655857 | erot = 0.605705335206491 | epot = -15.4683728798634 | etot = -14.617514035001 -354000 ekin = 0.235838910987786 | erot = 0.610923562934953 | epot = -15.4642765089099 | etot = -14.6175140349872 -355000 ekin = 0.228551231301984 | erot = 0.613687305426088 | epot = -15.4597525716969 | etot = -14.6175140349688 -356000 ekin = 0.223427131308619 | erot = 0.61414390282533 | epot = -15.4550850690815 | etot = -14.6175140349475 -357000 ekin = 0.220563006919496 | erot = 0.612527933402533 | epot = -15.4506049752473 | etot = -14.6175140349253 -358000 ekin = 0.220010333199303 | erot = 0.609131855544879 | epot = -15.4466562236489 | etot = -14.6175140349047 -359000 ekin = 0.221770268741646 | erot = 0.604273418958276 | epot = -15.443557722588 | etot = -14.6175140348881 -360000 ekin = 0.225788163654918 | erot = 0.598262925571842 | epot = -15.4415651241044 | etot = -14.6175140348777 -361000 ekin = 0.231948578438913 | erot = 0.59137325198523 | epot = -15.4408358652996 | etot = -14.6175140348754 -362000 ekin = 0.240071331019464 | erot = 0.583815109039738 | epot = -15.4414004749418 | etot = -14.6175140348826 -363000 ekin = 0.249908988059078 | erot = 0.575719406612622 | epot = -15.4431424295716 | etot = -14.6175140348999 -364000 ekin = 0.261146140583132 | erot = 0.56712790648618 | epot = -15.4457880819966 | etot = -14.6175140349273 -365000 ekin = 0.273400773646818 | erot = 0.557992653604894 | epot = -15.4489074622159 | etot = -14.6175140349642 -366000 ekin = 0.286228056504663 | erot = 0.548184015757871 | epot = -15.4519261072718 | etot = -14.6175140350093 -367000 ekin = 0.299126926926786 | erot = 0.537506547610907 | epot = -15.4541475095983 | etot = -14.6175140350606 -368000 ekin = 0.311549892639084 | erot = 0.525721330951755 | epot = -15.4547852587065 | etot = -14.6175140351156 -369000 ekin = 0.322916493342769 | erot = 0.512572942753926 | epot = -15.4530034712682 | etot = -14.6175140351715 -370000 ekin = 0.332630833324557 | erot = 0.497818805481132 | epot = -15.4479636740308 | etot = -14.6175140352251 -371000 ekin = 0.340103492446634 | erot = 0.481258447415918 | epot = -15.4388759751356 | etot = -14.6175140352731 -372000 ekin = 0.344777943664193 | erot = 0.462760223983496 | epot = -15.4250522029596 | etot = -14.6175140353119 -373000 ekin = 0.346161332162081 | erot = 0.442283380417406 | epot = -15.405958747918 | etot = -14.6175140353385 -374000 ekin = 0.343859062980667 | erot = 0.419893962766177 | epot = -15.3812670610967 | etot = -14.6175140353498 -375000 ekin = 0.337612023151491 | erot = 0.395773904235502 | epot = -15.35089996273 | etot = -14.617514035343 -376000 ekin = 0.327334336193659 | erot = 0.370223433835828 | epot = -15.3150718053453 | etot = -14.6175140353159 -377000 ekin = 0.313148263712968 | erot = 0.3436575453366 | epot = -15.2743198443167 | etot = -14.6175140352671 -378000 ekin = 0.295411338277735 | erot = 0.316597454537734 | epot = -15.2295228280119 | etot = -14.6175140351964 -379000 ekin = 0.274729408510529 | erot = 0.289657740939432 | epot = -15.1819011845551 | etot = -14.6175140351051 -380000 ekin = 0.251948675267414 | erot = 0.263529414055011 | epot = -15.1329921243187 | etot = -14.6175140349963 -381000 ekin = 0.228120837035203 | erot = 0.238958749468097 | epot = -15.0845936213794 | etot = -14.6175140348761 -382000 ekin = 0.204438854506746 | erot = 0.216721270519329 | epot = -15.0386741597779 | etot = -14.6175140347518 -383000 ekin = 0.182146263755385 | erot = 0.19759188098445 | epot = -14.9972521793722 | etot = -14.6175140346323 -384000 ekin = 0.162429780679522 | erot = 0.182311896924387 | epot = -14.9622557121308 | etot = -14.6175140345269 -385000 ekin = 0.146310622123822 | erot = 0.171555128911536 | epot = -14.9353797854792 | etot = -14.6175140344439 -386000 ekin = 0.134552389652403 | erot = 0.165895597224741 | epot = -14.9179620212657 | etot = -14.6175140343886 -387000 ekin = 0.127600986328395 | erot = 0.165779213534325 | epot = -14.9108942342266 | etot = -14.6175140343639 -388000 ekin = 0.125565151523028 | erot = 0.171500950984996 | epot = -14.9145801368772 | etot = -14.6175140343691 -389000 ekin = 0.128237001096973 | erot = 0.183188026636525 | epot = -14.9289390621349 | etot = -14.6175140344014 -390000 ekin = 0.135143637923168 | erot = 0.200788930663413 | epot = -14.9534466030433 | etot = -14.6175140344567 -391000 ekin = 0.145616156499953 | erot = 0.224068074688611 | epot = -14.9871982657191 | etot = -14.6175140345306 -392000 ekin = 0.158862235246809 | erot = 0.252606362171908 | epot = -15.0289826320371 | etot = -14.6175140346184 -393000 ekin = 0.174032087603698 | erot = 0.285808726839658 | epot = -15.0773548491589 | etot = -14.6175140347155 -394000 ekin = 0.190272707003915 | erot = 0.322920107512839 | epot = -15.1307068493349 | etot = -14.6175140348181 -395000 ekin = 0.206769905102427 | erot = 0.363051013228117 | epot = -15.1873349532527 | etot = -14.6175140349221 -396000 ekin = 0.222780272470673 | erot = 0.405212687947373 | epot = -15.2455069954414 | etot = -14.6175140350234 -397000 ekin = 0.23765569871957 | erot = 0.448360183482314 | epot = -15.3035299173199 | etot = -14.6175140351181 -398000 ekin = 0.250862154070766 | erot = 0.491439914329229 | epot = -15.3598161036022 | etot = -14.6175140352022 -399000 ekin = 0.261993055954332 | erot = 0.533437059170124 | epot = -15.4129441503972 | etot = -14.6175140352727 -400000 ekin = 0.270776550507805 | erot = 0.573417887949055 | epot = -15.4617084737844 | etot = -14.6175140353276 -401000 ekin = 0.277075831016468 | erot = 0.610562842823512 | epot = -15.505152709206 | etot = -14.617514035366 -402000 ekin = 0.280882158892238 | erot = 0.644187798759056 | epot = -15.5425839930397 | etot = -14.6175140353884 -403000 ekin = 0.282301228579434 | erot = 0.673752968641712 | epot = -15.5735682326173 | etot = -14.6175140353962 -404000 ekin = 0.281534519812515 | erot = 0.698860907481931 | epot = -15.5979094626858 | etot = -14.6175140353913 -405000 ekin = 0.278857975737129 | erot = 0.719246574878154 | epot = -15.6156185859915 | etot = -14.6175140353763 -406000 ekin = 0.274600555759475 | erot = 0.73476315739679 | epot = -15.6268777485094 | etot = -14.6175140353531 -407000 ekin = 0.269124923358509 | erot = 0.745367259285065 | epot = -15.6320062179673 | etot = -14.6175140353237 -408000 ekin = 0.262811853165719 | erot = 0.751106276665231 | epot = -15.63143216512 | etot = -14.6175140352891 -409000 ekin = 0.256049112192117 | erot = 0.752109968276187 | epot = -15.6256731157185 | etot = -14.6175140352502 -410000 ekin = 0.249224269809732 | erot = 0.74858433225965 | epot = -15.6153226372768 | etot = -14.6175140352074 -411000 ekin = 0.242720888553437 | erot = 0.740809103918433 | epot = -15.6010440276326 | etot = -14.6175140351607 -412000 ekin = 0.236916379506095 | erot = 0.729136085380854 | epot = -15.5835664999974 | etot = -14.6175140351104 -413000 ekin = 0.232179735243653 | erot = 0.713985498456999 | epot = -15.5636792687578 | etot = -14.6175140350572 -414000 ekin = 0.228867632642243 | erot = 0.695838652585891 | epot = -15.5422203202302 | etot = -14.6175140350021 -415000 ekin = 0.227317772307856 | erot = 0.675225695396218 | epot = -15.5200575026509 | etot = -14.6175140349469 -416000 ekin = 0.227838940777607 | erot = 0.652708261105161 | epot = -15.4980612367764 | etot = -14.6175140348937 -417000 ekin = 0.230697970866891 | erot = 0.628857925336047 | epot = -15.4770699310479 | etot = -14.617514034845 -418000 ekin = 0.236104416120681 | erot = 0.604232291329749 | epot = -15.4578507422538 | etot = -14.6175140348034 -419000 ekin = 0.244194252200401 | erot = 0.579351108945114 | epot = -15.4410593959166 | etot = -14.6175140347711 -420000 ekin = 0.255014214168464 | erot = 0.554674986841152 | epot = -15.4272032357598 | etot = -14.6175140347502 -421000 ekin = 0.268508458340295 | erot = 0.530589008736334 | epot = -15.4166115018185 | etot = -14.6175140347418 -422000 ekin = 0.284509119560496 | erot = 0.507392982380571 | epot = -15.4094161366875 | etot = -14.6175140347464 -423000 ekin = 0.302732060426934 | erot = 0.485299248118979 | epot = -15.4055453433093 | etot = -14.6175140347634 -424000 ekin = 0.322778728051398 | erot = 0.464438075670481 | epot = -15.4047308385137 | etot = -14.6175140347918 -425000 ekin = 0.344144594922637 | erot = 0.444869796712131 | epot = -15.4065284264641 | etot = -14.6175140348293 -426000 ekin = 0.366234204300038 | erot = 0.426602052983704 | epot = -15.4103502921573 | etot = -14.6175140348735 -427000 ekin = 0.388382398339816 | erot = 0.409609962240036 | epot = -15.4155063955013 | etot = -14.6175140349214 -428000 ekin = 0.409880900047524 | erot = 0.393856678091899 | epot = -15.4212516131094 | etot = -14.6175140349699 -429000 ekin = 0.430009061106479 | erot = 0.379311788381591 | epot = -15.4268348845041 | etot = -14.617514035016 -430000 ekin = 0.448067283636575 | erot = 0.3659652824005 | epot = -15.4315466010941 | etot = -14.617514035057 -431000 ekin = 0.463411378723588 | erot = 0.353835411175161 | epot = -15.4347608249895 | etot = -14.6175140350907 -432000 ekin = 0.475485941535269 | erot = 0.342969616703674 | epot = -15.4359695933546 | etot = -14.6175140351156 -433000 ekin = 0.483854704021334 | erot = 0.333438714396283 | epot = -15.4348074535483 | etot = -14.6175140351307 -434000 ekin = 0.488225698519521 | erot = 0.325325491782385 | epot = -15.4310652254377 | etot = -14.6175140351358 -435000 ekin = 0.48846961521868 | erot = 0.318709988965965 | epot = -15.4246936393157 | etot = -14.6175140351311 -436000 ekin = 0.484629100798397 | erot = 0.313653867974891 | epot = -15.4157970038909 | etot = -14.6175140351176 -437000 ekin = 0.476917712285193 | erot = 0.310186654191006 | epot = -15.4046184015729 | etot = -14.6175140350967 -438000 ekin = 0.465707830236428 | erot = 0.308296241623089 | epot = -15.3915181069294 | etot = -14.6175140350699 -439000 ekin = 0.45150753680146 | erot = 0.30792515377069 | epot = -15.3769467256113 | etot = -14.6175140350391 -440000 ekin = 0.434927659014138 | erot = 0.308973010492868 | epot = -15.3614147045135 | etot = -14.6175140350065 -441000 ekin = 0.416641657349937 | erot = 0.311304747383582 | epot = -15.3454604397074 | etot = -14.6175140349739 -442000 ekin = 0.397341542601571 | erot = 0.314762618736297 | epot = -15.3296181962812 | etot = -14.6175140349433 -443000 ekin = 0.377694362715545 | erot = 0.319179725729324 | epot = -15.314388123361 | etot = -14.6175140349161 -444000 ekin = 0.358304425136817 | erot = 0.32439329819003 | epot = -15.3002117582203 | etot = -14.6175140348934 -445000 ekin = 0.339684383335156 | erot = 0.330254911559461 | epot = -15.2874533297707 | etot = -14.6175140348761 -446000 ekin = 0.322237701351822 | erot = 0.336636009508 | epot = -15.2763877457241 | etot = -14.6175140348643 -447000 ekin = 0.30625308658371 | erot = 0.34342824275766 | epot = -15.2671953641993 | etot = -14.6175140348579 -448000 ekin = 0.291909091343975 | erot = 0.350538602019967 | epot = -15.2599617282208 | etot = -14.6175140348568 -449000 ekin = 0.279285717664377 | erot = 0.357880263087886 | epot = -15.254680015613 | etot = -14.6175140348608 -450000 ekin = 0.268379332693754 | erot = 0.365360767815974 | epot = -15.2512541353793 | etot = -14.6175140348696 -451000 ekin = 0.259117719163031 | erot = 0.372869677558793 | epot = -15.2495014316051 | etot = -14.6175140348833 -452000 ekin = 0.251373384973835 | erot = 0.380268095669032 | epot = -15.2491555155445 | etot = -14.6175140349017 -453000 ekin = 0.24497482412797 | erot = 0.387382402362676 | epot = -15.2498712614149 | etot = -14.6175140349243 -454000 ekin = 0.239716691076598 | erot = 0.394004131859313 | epot = -15.251234857886 | etot = -14.6175140349501 -455000 ekin = 0.235370413814522 | erot = 0.399897145639913 | epot = -15.252781594432 | etot = -14.6175140349776 -456000 ekin = 0.231696513790871 | erot = 0.404812188422525 | epot = -15.254022737218 | etot = -14.6175140350046 -457000 ekin = 0.22845901443235 | erot = 0.408507709512969 | epot = -15.2544807589739 | etot = -14.6175140350285 -458000 ekin = 0.225441196082656 | erot = 0.41077470562198 | epot = -15.2537299367515 | etot = -14.6175140350469 -459000 ekin = 0.22246101894078 | erot = 0.411462514810095 | epot = -15.251437568808 | etot = -14.6175140350572 -460000 ekin = 0.219384094438714 | erot = 0.410502136527495 | epot = -15.2474002660241 | etot = -14.6175140350579 -461000 ekin = 0.21613224524022 | erot = 0.40792384413126 | epot = -15.2415701244196 | etot = -14.6175140350481 -462000 ekin = 0.212686361973382 | erot = 0.403866554422734 | epot = -15.2340669514243 | etot = -14.6175140350282 -463000 ekin = 0.209083218482854 | erot = 0.398577486489151 | epot = -15.2251747399712 | etot = -14.6175140349992 -464000 ekin = 0.20540688826373 | erot = 0.392401883856613 | epot = -15.2153228070836 | etot = -14.6175140349633 -465000 ekin = 0.201776197881068 | erot = 0.385763783461919 | epot = -15.2050540162659 | etot = -14.6175140349229 -466000 ekin = 0.198330130961181 | erot = 0.379139817336986 | epot = -15.1949839831793 | etot = -14.6175140348811 -467000 ekin = 0.195213224017124 | erot = 0.373028711257475 | epot = -15.1857559701151 | etot = -14.6175140348405 -468000 ekin = 0.192562810062158 | erot = 0.367919448414916 | epot = -15.1779962932808 | etot = -14.6175140348037 -469000 ekin = 0.190499545154769 | erot = 0.364261004085612 | epot = -15.1722745840131 | etot = -14.6175140347727 -470000 ekin = 0.18912208603274 | erot = 0.362436180586983 | epot = -15.1690723013684 | etot = -14.6175140347487 -471000 ekin = 0.188506156938867 | erot = 0.362741456207278 | epot = -15.1687616478786 | etot = -14.6175140347325 -472000 ekin = 0.188707621222394 | erot = 0.365373993438347 | epot = -15.1715956493845 | etot = -14.6175140347238 -473000 ekin = 0.189768618622282 | erot = 0.370426120543888 | epot = -15.1777087738883 | etot = -14.6175140347222 -474000 ekin = 0.191725397341772 | erot = 0.377886798112635 | epot = -15.1871262301808 | etot = -14.6175140347264 -475000 ekin = 0.194616213071371 | erot = 0.387648901412467 | epot = -15.1997791492193 | etot = -14.6175140347354 -476000 ekin = 0.19848763616133 | erot = 0.399520678155556 | epot = -15.2155223490651 | etot = -14.6175140347483 -477000 ekin = 0.203397790430575 | erot = 0.413239540254448 | epot = -15.234151365449 | etot = -14.617514034764 -478000 ekin = 0.209415519783994 | erot = 0.428486466926518 | epot = -15.2554160214928 | etot = -14.6175140347823 -479000 ekin = 0.216615156595488 | erot = 0.444899686771521 | epot = -15.2790288781697 | etot = -14.6175140348027 -480000 ekin = 0.225067223158495 | erot = 0.462086880017487 | epot = -15.3046681380014 | etot = -14.6175140348255 -481000 ekin = 0.234826185148526 | erot = 0.479635803738694 | epot = -15.3319760237382 | etot = -14.6175140348509 -482000 ekin = 0.24591693935593 | erot = 0.497123799837189 | epot = -15.3605547740723 | etot = -14.6175140348792 -483000 ekin = 0.258322039581471 | erot = 0.514126984880484 | epot = -15.3899630593723 | etot = -14.6175140349103 -484000 ekin = 0.271971667055458 | erot = 0.530229960568097 | epot = -15.4197156625675 | etot = -14.617514034944 -485000 ekin = 0.286738030810237 | erot = 0.545036619609161 | epot = -15.4492886853988 | etot = -14.6175140349794 -486000 ekin = 0.302435294442602 | erot = 0.558182125190157 | epot = -15.4781314546481 | etot = -14.6175140350154 -487000 ekin = 0.318825369858635 | erot = 0.569345540302413 | epot = -15.5056849452114 | etot = -14.6175140350504 -488000 ekin = 0.335629120856599 | erot = 0.578262027782435 | epot = -15.5314051837218 | etot = -14.6175140350827 -489000 ekin = 0.352541803825719 | erot = 0.584733173542254 | epot = -15.5547890124787 | etot = -14.6175140351108 -490000 ekin = 0.369251041133798 | erot = 0.58863390237619 | epot = -15.5753989786432 | etot = -14.6175140351332 -491000 ekin = 0.385455339944008 | erot = 0.589914693970058 | epot = -15.5928840690631 | etot = -14.6175140351491 -492000 ekin = 0.40088115647899 | erot = 0.588598334680754 | epot = -15.6069935263179 | etot = -14.6175140351581 -493000 ekin = 0.415296746377553 | erot = 0.584771169137649 | epot = -15.6175819506758 | etot = -14.6175140351606 -494000 ekin = 0.428521503102931 | erot = 0.578569614095801 | epot = -15.6246051523561 | etot = -14.6175140351573 -495000 ekin = 0.440430011858771 | erot = 0.570163426568569 | epot = -15.6281074735768 | etot = -14.6175140351495 -496000 ekin = 0.450950706316734 | erot = 0.559737766477586 | epot = -15.628202507933 | etot = -14.6175140351387 -497000 ekin = 0.460059581798191 | erot = 0.547476355485745 | epot = -15.6250499724103 | etot = -14.6175140351264 -498000 ekin = 0.467769906492318 | erot = 0.533547985555278 | epot = -15.6188319271617 | etot = -14.6175140351141 -499000 ekin = 0.474119221073082 | erot = 0.518098277332704 | epot = -15.6097315335085 | etot = -14.6175140351027 -500000 ekin = 0.47915510663518 | erot = 0.501247978937513 | epot = -15.5979171206656 | etot = -14.6175140350929 -501000 ekin = 0.482921233338969 | erot = 0.483098304082662 | epot = -15.5835335725064 | etot = -14.6175140350848 -502000 ekin = 0.485445093649088 | erot = 0.463742920559554 | epot = -15.5667020492864 | etot = -14.6175140350777 -503000 ekin = 0.486728599209648 | erot = 0.443285305605623 | epot = -15.5475279398862 | etot = -14.6175140350709 -504000 ekin = 0.486742408087926 | erot = 0.421859374631785 | epot = -15.5261158177828 | etot = -14.6175140350631 -505000 ekin = 0.485424480827694 | erot = 0.399650657768087 | epot = -15.5025891736488 | etot = -14.617514035053 -506000 ekin = 0.48268297341187 | erot = 0.376914939267219 | epot = -15.4771119477182 | etot = -14.6175140350392 -507000 ekin = 0.478403198154612 | erot = 0.353991273961029 | epot = -15.4499085071364 | etot = -14.6175140350208 -508000 ekin = 0.472458052935441 | erot = 0.331306710133916 | epot = -15.4212787980666 | etot = -14.6175140349972 -509000 ekin = 0.46472106285539 | erot = 0.309370883447747 | epot = -15.3916059812718 | etot = -14.6175140349687 -510000 ekin = 0.455081004104095 | erot = 0.288759823578743 | epot = -15.3613548626186 | etot = -14.6175140349358 -511000 ekin = 0.443456979180403 | erot = 0.270089690707411 | epot = -15.3310607047875 | etot = -14.6175140348996 -512000 ekin = 0.429812848219575 | erot = 0.25398253489869 | epot = -15.3013094179802 | etot = -14.6175140348619 -513000 ekin = 0.414169942618988 | erot = 0.241027258547328 | epot = -15.2727112359908 | etot = -14.6175140348245 -514000 ekin = 0.396617122319459 | erot = 0.231739657368316 | epot = -15.245870814477 | etot = -14.6175140347893 -515000 ekin = 0.377317407138787 | erot = 0.226525548757195 | epot = -15.2213569906539 | etot = -14.6175140347579 -516000 ekin = 0.356510629533613 | erot = 0.225650587239684 | epot = -15.1996752515051 | etot = -14.6175140347318 -517000 ekin = 0.334511811731556 | erot = 0.229219509886492 | epot = -15.1812453563299 | etot = -14.6175140347118 -518000 ekin = 0.311705249160021 | erot = 0.23716641592675 | epot = -15.1663856997854 | etot = -14.6175140346987 -519000 ekin = 0.288534562405509 | erot = 0.249256456193826 | epot = -15.1553050532917 | etot = -14.6175140346923 -520000 ekin = 0.265489234982404 | erot = 0.265098165451267 | epot = -15.1481014351262 | etot = -14.6175140346925 -521000 ekin = 0.243088358087729 | erot = 0.284164745160129 | epot = -15.1447671379464 | etot = -14.6175140346986 -522000 ekin = 0.221862437060792 | erot = 0.305821970140486 | epot = -15.1451984419111 | etot = -14.6175140347098 -523000 ekin = 0.202334169776215 | erot = 0.329360070797338 | epot = -15.149208275299 | etot = -14.6175140347255 -524000 ekin = 0.184999091076189 | erot = 0.354026911471086 | epot = -15.1565400372918 | etot = -14.6175140347445 -525000 ekin = 0.170306912739355 | erot = 0.379059948771691 | epot = -15.1668808962774 | etot = -14.6175140347664 -526000 ekin = 0.158644243148445 | erot = 0.403715126925631 | epot = -15.1798734048646 | etot = -14.6175140347905 -527000 ekin = 0.150319367666608 | erot = 0.427291025812717 | epot = -15.1951244282958 | etot = -14.6175140348165 -528000 ekin = 0.145549592055318 | erot = 0.449147424933815 | epot = -15.2122110518333 | etot = -14.6175140348441 -529000 ekin = 0.144451603984815 | erot = 0.46871812185095 | epot = -15.2306837607091 | etot = -14.6175140348734 -530000 ekin = 0.147035267138349 | erot = 0.485518371011605 | epot = -15.2500676730542 | etot = -14.6175140349042 -531000 ekin = 0.153201203684292 | erot = 0.499147835497304 | epot = -15.2698630741182 | etot = -14.6175140349366 -532000 ekin = 0.162742448479717 | erot = 0.509290301682708 | epot = -15.2895467851327 | etot = -14.6175140349702 -533000 ekin = 0.175350354881916 | erot = 0.515711587206721 | epot = -15.3085759770934 | etot = -14.6175140350047 -534000 ekin = 0.190624856013519 | erot = 0.518257146630614 | epot = -15.3263960376834 | etot = -14.6175140350393 -535000 ekin = 0.208088493536824 | erot = 0.516850140104756 | epot = -15.3424526687142 | etot = -14.6175140350726 -536000 ekin = 0.227204325842689 | erot = 0.511491240065728 | epot = -15.3562096010119 | etot = -14.6175140351035 -537000 ekin = 0.247396768812984 | erot = 0.502260311074185 | epot = -15.3671711150173 | etot = -14.6175140351302 -538000 ekin = 0.268074342413392 | erot = 0.489319600961478 | epot = -15.3749079785256 | etot = -14.6175140351508 -539000 ekin = 0.288653182933449 | erot = 0.4729176796722 | epot = -15.3790848977693 | etot = -14.6175140351637 -540000 ekin = 0.308579985825782 | erot = 0.453392904739592 | epot = -15.3794869257329 | etot = -14.6175140351675 -541000 ekin = 0.327353008191246 | erot = 0.431174973010967 | epot = -15.3760420163633 | etot = -14.6175140351611 -542000 ekin = 0.344539853506965 | erot = 0.406783142889028 | epot = -15.3688370315399 | etot = -14.6175140351439 -543000 ekin = 0.359790986513993 | erot = 0.380819988063805 | epot = -15.3581250096939 | etot = -14.6175140351161 -544000 ekin = 0.37284826309085 | erot = 0.353960030672464 | epot = -15.344322328842 | etot = -14.6175140350787 -545000 ekin = 0.383548167009815 | erot = 0.326933212481791 | epot = -15.3279954145248 | etot = -14.6175140350332 -546000 ekin = 0.391819867385749 | erot = 0.300503784237994 | epot = -15.3098376866053 | etot = -14.6175140349815 -547000 ekin = 0.397678590182396 | erot = 0.275445713887096 | epot = -15.2906383389958 | etot = -14.6175140349263 -548000 ekin = 0.401215088504832 | erot = 0.252516050366015 | epot = -15.2712451737408 | etot = -14.6175140348699 -549000 ekin = 0.402582175512791 | erot = 0.232427794767637 | epot = -15.2525240050959 | etot = -14.6175140348155 -550000 ekin = 0.401979352687969 | erot = 0.215823740833009 | epot = -15.2353171282862 | etot = -14.6175140347652 -551000 ekin = 0.399636550193996 | erot = 0.203252510909739 | epot = -15.220403095825 | etot = -14.6175140347213 -552000 ekin = 0.395797934840894 | erot = 0.195147714573778 | epot = -15.2084596841007 | etot = -14.617514034686 -553000 ekin = 0.390706676476196 | erot = 0.191810879117336 | epot = -15.2000315902546 | etot = -14.6175140346611 -554000 ekin = 0.384591526958096 | erot = 0.19339860945437 | epot = -15.1955041710601 | etot = -14.6175140346476 -555000 ekin = 0.377656068332676 | erot = 0.199914362894006 | epot = -15.1950844658734 | etot = -14.6175140346467 -556000 ekin = 0.370071512615683 | erot = 0.211205266307111 | epot = -15.1987908135806 | etot = -14.6175140346578 -557000 ekin = 0.361973939272813 | erot = 0.226964515102972 | epot = -15.2064524890562 | etot = -14.6175140346805 -558000 ekin = 0.353466765020817 | erot = 0.246739996102199 | epot = -15.2177207958362 | etot = -14.6175140347132 -559000 ekin = 0.344628961765223 | erot = 0.269949765670651 | epot = -15.2320927621895 | etot = -14.6175140347536 -560000 ekin = 0.335528980568065 | erot = 0.295904778796298 | epot = -15.248947794163 | etot = -14.6175140347986 -561000 ekin = 0.326243446081694 | erot = 0.32383871490908 | epot = -15.2675961958353 | etot = -14.6175140348445 -562000 ekin = 0.316878486813705 | erot = 0.352943857553535 | epot = -15.2873363792542 | etot = -14.617514034887 -563000 ekin = 0.307590234581993 | erot = 0.382410843957943 | epot = -15.3075151134627 | etot = -14.6175140349227 -564000 ekin = 0.298599911427723 | erot = 0.411468934029848 | epot = -15.3275828804063 | etot = -14.6175140349488 -565000 ekin = 0.290198521501613 | erot = 0.439422606477982 | epot = -15.3471351629436 | etot = -14.617514034964 -566000 ekin = 0.282736992095915 | erot = 0.465680158920146 | epot = -15.3659311859852 | etot = -14.6175140349691 -567000 ekin = 0.276599956454237 | erot = 0.489770841523137 | epot = -15.3838848329439 | etot = -14.6175140349665 -568000 ekin = 0.272165052790849 | erot = 0.51134888782089 | epot = -15.4010279755719 | etot = -14.6175140349602 -569000 ekin = 0.269753809413351 | erot = 0.530185258477429 | epot = -15.4174531028455 | etot = -14.6175140349547 -570000 ekin = 0.269583567607364 | erot = 0.546150320474836 | epot = -15.4332479230362 | etot = -14.617514034954 -571000 ekin = 0.271731068577875 | erot = 0.559192265325752 | epot = -15.4484373688642 | etot = -14.6175140349606 -572000 ekin = 0.276116495687091 | erot = 0.569316321634121 | epot = -15.4629468522959 | etot = -14.6175140349747 -573000 ekin = 0.282512256444534 | erot = 0.576569321998237 | epot = -15.4765956134374 | etot = -14.6175140349946 -574000 ekin = 0.290574483947443 | erot = 0.58103049076154 | epot = -15.4891190097262 | etot = -14.6175140350172 -575000 ekin = 0.299890113326593 | erot = 0.582808418137594 | epot = -15.5002125665028 | etot = -14.6175140350386 -576000 ekin = 0.310029076130859 | erot = 0.582041678954832 | epot = -15.5095847901412 | etot = -14.6175140350555 -577000 ekin = 0.320591144135675 | erot = 0.578899817193377 | epot = -15.5170049963946 | etot = -14.6175140350655 -578000 ekin = 0.331239680817734 | erot = 0.573581904321388 | epot = -15.5223356202072 | etot = -14.6175140350681 -579000 ekin = 0.341718767395713 | erot = 0.566311213814816 | epot = -15.5255440162742 | etot = -14.6175140350637 -580000 ekin = 0.351854361646192 | erot = 0.557326170820746 | epot = -15.5266945675209 | etot = -14.617514035054 -581000 ekin = 0.361543170719959 | erot = 0.546869043111512 | epot = -15.5259262488727 | etot = -14.6175140350412 -582000 ekin = 0.370734291431731 | erot = 0.535174473618127 | epot = -15.5234228000774 | etot = -14.6175140350275 -583000 ekin = 0.37940854514636 | erot = 0.522459863754317 | epot = -15.5193824439152 | etot = -14.6175140350145 -584000 ekin = 0.387559338332064 | erot = 0.50891899993969 | epot = -15.5139923732753 | etot = -14.6175140350036 -585000 ekin = 0.395177418309436 | erot = 0.494719483694829 | epot = -15.5074109369994 | etot = -14.6175140349952 -586000 ekin = 0.402240533516594 | erot = 0.480003760424791 | epot = -15.4997583289309 | etot = -14.6175140349895 -587000 ekin = 0.408707997145263 | erot = 0.464893014294175 | epot = -15.4911150464257 | etot = -14.6175140349862 -588000 ekin = 0.41451954577295 | erot = 0.449492951760516 | epot = -15.4815265325182 | etot = -14.6175140349847 -589000 ekin = 0.419597612555334 | erot = 0.43390048790532 | epot = -15.4710121354448 | etot = -14.6175140349841 -590000 ekin = 0.423852083806567 | erot = 0.418210489542958 | epot = -15.4595766083332 | etot = -14.6175140349837 -591000 ekin = 0.427186671517479 | erot = 0.402521929657892 | epot = -15.447222636158 | etot = -14.6175140349826 -592000 ekin = 0.429506137373686 | erot = 0.386943005728737 | epot = -15.4339631780827 | etot = -14.6175140349802 -593000 ekin = 0.430723706116615 | erot = 0.371594936609099 | epot = -15.4198326777017 | etot = -14.617514034976 -594000 ekin = 0.430768094953839 | erot = 0.356614269836478 | epot = -15.4048963997596 | etot = -14.6175140349693 -595000 ekin = 0.42958966483036 | erot = 0.34215360916983 | epot = -15.3892573089602 | etot = -14.61751403496 -596000 ekin = 0.427165296133674 | erot = 0.328380718540701 | epot = -15.3730600496226 | etot = -14.6175140349482 -597000 ekin = 0.423501658500188 | erot = 0.315475989401846 | epot = -15.3564916828361 | etot = -14.617514034934 -598000 ekin = 0.418636501255824 | erot = 0.30362835958022 | epot = -15.3397788957539 | etot = -14.6175140349178 -599000 ekin = 0.412638207582771 | erot = 0.293029673722298 | epot = -15.3231819162053 | etot = -14.6175140349002 -600000 ekin = 0.405603414753992 | erot = 0.283867637225037 | epot = -15.306985086861 | etot = -14.6175140348819 -601000 ekin = 0.397652939448924 | erot = 0.27631757335997 | epot = -15.2914845476729 | etot = -14.617514034864 -602000 ekin = 0.388926339151977 | erot = 0.270533300127966 | epot = -15.2769736741272 | etot = -14.6175140348472 -603000 ekin = 0.379575547711323 | erot = 0.266637582798157 | epot = -15.2637271653422 | etot = -14.6175140348327 -604000 ekin = 0.369758112224678 | erot = 0.264712769809213 | epot = -15.2519849168553 | etot = -14.6175140348214 -605000 ekin = 0.359630614964776 | erot = 0.264792359550131 | epot = -15.241937009329 | etot = -14.617514034814 -606000 ekin = 0.349342882571482 | erot = 0.266854337886994 | epot = -15.2337112552696 | etot = -14.6175140348111 -607000 ekin = 0.339033558751721 | erot = 0.270817131627805 | epot = -15.2273647251923 | etot = -14.6175140348128 -608000 ekin = 0.328827538259558 | erot = 0.276538908097645 | epot = -15.2228804811762 | etot = -14.617514034819 -609000 ekin = 0.318835621087791 | erot = 0.283820700144912 | epot = -15.2201703560617 | etot = -14.617514034829 -610000 ekin = 0.309156542568471 | erot = 0.292413461056483 | epot = -15.2190840384669 | etot = -14.617514034842 -611000 ekin = 0.29988127210835 | erot = 0.302028697870677 | epot = -15.2194240048356 | etot = -14.6175140348566 -612000 ekin = 0.291099167856382 | erot = 0.312351863790435 | epot = -15.2209650665183 | etot = -14.6175140348715 -613000 ekin = 0.282905257831731 | erot = 0.323057294042835 | epot = -15.2234765867597 | etot = -14.6175140348851 -614000 ekin = 0.275407632339994 | erot = 0.333823223653581 | epot = -15.2267448908899 | etot = -14.6175140348963 -615000 ekin = 0.268733725567278 | erot = 0.344345386321387 | epot = -15.2305931467927 | etot = -14.617514034904 -616000 ekin = 0.263034181136557 | erot = 0.35434787992739 | epot = -15.2348960959719 | etot = -14.6175140349079 -617000 ekin = 0.258483071857821 | erot = 0.363590372787447 | epot = -15.2395874795532 | etot = -14.6175140349079 -618000 ekin = 0.255273496413574 | erot = 0.371871254538827 | epot = -15.2446587858571 | etot = -14.6175140349047 -619000 ekin = 0.253608004174632 | erot = 0.37902692128715 | epot = -15.2501489603613 | etot = -14.6175140348995 -620000 ekin = 0.253683881421992 | erot = 0.384927934513618 | epot = -15.2561258508295 | etot = -14.6175140348939 -621000 ekin = 0.255674023709804 | erot = 0.389473226071993 | epot = -15.2626612846714 | etot = -14.6175140348896 -622000 ekin = 0.25970485336757 | erot = 0.392583779639758 | epot = -15.2698026678959 | etot = -14.6175140348885 -623000 ekin = 0.265833429999403 | erot = 0.394197274405735 | epot = -15.2775447392974 | etot = -14.6175140348923 -624000 ekin = 0.274026439188228 | erot = 0.394265031624551 | epot = -15.2858055057147 | etot = -14.6175140349019 -625000 ekin = 0.284144015738384 | erot = 0.392752285176118 | epot = -15.2944103358322 | etot = -14.6175140349177 -626000 ekin = 0.295931256226139 | erot = 0.389642344380343 | epot = -15.3030876355457 | etot = -14.6175140349392 -627000 ekin = 0.309019727829663 | erot = 0.38494467650416 | epot = -15.3114784392987 | etot = -14.6175140349649 -628000 ekin = 0.322940275279064 | erot = 0.378706350959343 | epot = -15.3191606612307 | etot = -14.6175140349923 -629000 ekin = 0.337147043698277 | erot = 0.37102569897414 | epot = -15.3256867776908 | etot = -14.6175140350184 -630000 ekin = 0.351051052994981 | erot = 0.362066500826367 | epot = -15.3306315888613 | etot = -14.6175140350399 -631000 ekin = 0.364060148819096 | erot = 0.352070586245494 | epot = -15.333644770118 | etot = -14.6175140350534 -632000 ekin = 0.375621025661737 | erot = 0.341366514680777 | epot = -15.3345015753988 | etot = -14.6175140350563 -633000 ekin = 0.385258541224816 | erot = 0.33037209230534 | epot = -15.3331446685769 | etot = -14.6175140350467 -634000 ekin = 0.392607865616762 | erot = 0.31958895649352 | epot = -15.3297108571345 | etot = -14.6175140350242 -635000 ekin = 0.39743609727868 | erot = 0.309588318033271 | epot = -15.3245384503017 | etot = -14.6175140349897 -636000 ekin = 0.399651602685353 | erot = 0.30098809437835 | epot = -15.318153732009 | etot = -14.6175140349453 -637000 ekin = 0.399301141333129 | erot = 0.294422893568983 | epot = -15.3112380697961 | etot = -14.617514034894 -638000 ekin = 0.396556439147407 | erot = 0.290509369489655 | epot = -15.3045798434767 | etot = -14.6175140348397 -639000 ekin = 0.391692975513997 | erot = 0.289810143797434 | epot = -15.2990171540975 | etot = -14.617514034786 -640000 ekin = 0.385064212934161 | erot = 0.292799653113688 | epot = -15.2953779007847 | etot = -14.6175140347369 -641000 ekin = 0.377074355551302 | erot = 0.299834934663062 | epot = -15.2944233249094 | etot = -14.6175140346951 -642000 ekin = 0.368152133961515 | erot = 0.311133625026309 | epot = -15.2967997936509 | etot = -14.6175140346631 -643000 ekin = 0.358727298275111 | erot = 0.326760494743868 | epot = -15.3030018276614 | etot = -14.6175140346424 -644000 ekin = 0.349210670243499 | erot = 0.346622862554325 | epot = -15.3133475674317 | etot = -14.6175140346339 -645000 ekin = 0.339977915474886 | erot = 0.370474376280189 | epot = -15.3279663263927 | etot = -14.6175140346376 -646000 ekin = 0.331356734049287 | erot = 0.397926004729598 | epot = -15.3467967734319 | etot = -14.617514034653 -647000 ekin = 0.323616951062021 | erot = 0.428462692622343 | epot = -15.3695936783637 | etot = -14.6175140346794 -648000 ekin = 0.316962984679749 | erot = 0.461463981264525 | epot = -15.3959410006599 | etot = -14.6175140347156 -649000 ekin = 0.311528303721769 | erot = 0.496226945506609 | epot = -15.4252692839889 | etot = -14.6175140347605 -650000 ekin = 0.307371814502051 | erot = 0.53199011331203 | epot = -15.4568759626267 | etot = -14.6175140348127 -651000 ekin = 0.304476169211528 | erot = 0.567957247023637 | epot = -15.4899474511057 | etot = -14.6175140348705 -652000 ekin = 0.302748327843063 | erot = 0.603320352539344 | epot = -15.523582715315 | etot = -14.6175140349325 -653000 ekin = 0.302022769689561 | erot = 0.637281675063983 | epot = -15.5568184797505 | etot = -14.617514034997 -654000 ekin = 0.302067723594154 | erot = 0.669074745116258 | epot = -15.5886565037723 | etot = -14.6175140350619 -655000 ekin = 0.302594671774775 | erot = 0.697984728110365 | epot = -15.6180934350103 | etot = -14.6175140351252 -656000 ekin = 0.303271161273661 | erot = 0.723368330432067 | epot = -15.6441535268902 | etot = -14.6175140351845 -657000 ekin = 0.303736663270792 | erot = 0.744673311812443 | epot = -15.6659240103206 | etot = -14.6175140352373 -658000 ekin = 0.303620889262384 | erot = 0.761457272710392 | epot = -15.6825921972542 | etot = -14.6175140352814 -659000 ekin = 0.302563666907984 | erot = 0.773404945481054 | epot = -15.6934826477032 | etot = -14.6175140353142 -660000 ekin = 0.300235395695091 | erot = 0.780343280385843 | epot = -15.698092711415 | etot = -14.6175140353341 -661000 ekin = 0.296355710531902 | erot = 0.782250083093143 | epot = -15.6961198289647 | etot = -14.6175140353397 -662000 ekin = 0.290710478297184 | erot = 0.779257959177687 | epot = -15.6874824728051 | etot = -14.6175140353302 -663000 ekin = 0.283165147463639 | erot = 0.77165065199169 | epot = -15.6723298347614 | etot = -14.6175140353061 -664000 ekin = 0.273673427176448 | erot = 0.759850562455872 | epot = -15.6510380249006 | etot = -14.6175140352683 -665000 ekin = 0.262280913452385 | erot = 0.744397727319057 | epot = -15.6241926759903 | etot = -14.6175140352189 -666000 ekin = 0.249123647022483 | erot = 0.7259212317447 | epot = -15.5925589139278 | etot = -14.6175140351606 -667000 ekin = 0.234422061210147 | erot = 0.705104954965032 | epot = -15.5570410512716 | etot = -14.6175140350964 -668000 ekin = 0.218471158369324 | erot = 0.682650243124776 | epot = -15.5186354365237 | etot = -14.6175140350296 -669000 ekin = 0.201627981911843 | erot = 0.659238455806553 | epot = -15.4783804726815 | etot = -14.6175140349632 -670000 ekin = 0.184297501939065 | erot = 0.635496303880898 | epot = -15.43730784072 | etot = -14.6175140349001 -671000 ekin = 0.166917915805004 | erot = 0.611966525748027 | epot = -15.3963984763956 | etot = -14.6175140348426 -672000 ekin = 0.149946120674196 | erot = 0.589085832361493 | epot = -15.3565459878282 | etot = -14.6175140347926 -673000 ekin = 0.133843801904582 | erot = 0.567171306812613 | epot = -15.318529143468 | etot = -14.6175140347508 -674000 ekin = 0.119064262674576 | erot = 0.546415679820867 | epot = -15.2829939772136 | etot = -14.6175140347181 -675000 ekin = 0.106039855017085 | erot = 0.526891195482506 | epot = -15.250445085194 | etot = -14.6175140346944 -676000 ekin = 0.0951697078773878 | erot = 0.508561175678473 | epot = -15.2212449182352 | etot = -14.6175140346793 -677000 ekin = 0.086807451986192 | erot = 0.491297978909966 | epot = -15.1956194655683 | etot = -14.6175140346722 -678000 ekin = 0.0812485969712828 | erot = 0.474905301099178 | epot = -15.1736679327427 | etot = -14.6175140346722 -679000 ekin = 0.0787177619800211 | erot = 0.459143233464763 | epot = -15.1553750301234 | etot = -14.6175140346787 -680000 ekin = 0.0793562024648552 | erot = 0.443753980649329 | epot = -15.140624217805 | etot = -14.6175140346908 -681000 ekin = 0.0832104900789999 | erot = 0.428486254341784 | epot = -15.1292107791285 | etot = -14.6175140347077 -682000 ekin = 0.0902236865225188 | erot = 0.413116880933304 | epot = -15.1208546021847 | etot = -14.6175140347289 -683000 ekin = 0.100230543462408 | erot = 0.397468585264377 | epot = -15.11521316348 | etot = -14.6175140347533 -684000 ekin = 0.112958164258869 | erot = 0.381423459018597 | epot = -15.1118956580574 | etot = -14.6175140347799 -685000 ekin = 0.128033094046148 | erot = 0.364932120277307 | epot = -15.1104792491311 | etot = -14.6175140348076 -686000 ekin = 0.144995008361601 | erot = 0.348018922992647 | epot = -15.1105279661894 | etot = -14.6175140348351 -687000 ekin = 0.163316207854767 | erot = 0.330783730221022 | epot = -15.1116139729365 | etot = -14.6175140348607 -688000 ekin = 0.182425234215551 | erot = 0.313400732953855 | epot = -15.1133400020525 | etot = -14.6175140348831 -689000 ekin = 0.201732335852577 | erot = 0.296114640201443 | epot = -15.1153610109551 | etot = -14.6175140349011 -690000 ekin = 0.220654383891154 | erot = 0.279234374240434 | epot = -15.1174027930453 | etot = -14.6175140349137 -691000 ekin = 0.23863718992453 | erot = 0.263124260136862 | epot = -15.1192754849819 | etot = -14.6175140349205 -692000 ekin = 0.255173895596428 | erot = 0.248192653897472 | epot = -15.1208805844156 | etot = -14.6175140349217 -693000 ekin = 0.269818995118043 | erot = 0.234878024009109 | epot = -15.1222110540446 | etot = -14.6175140349175 -694000 ekin = 0.282198402189113 | erot = 0.223632668706427 | epot = -15.1233451058044 | etot = -14.6175140349089 -695000 ekin = 0.292016609393231 | erot = 0.214904477348993 | epot = -15.124435121639 | etot = -14.6175140348968 -696000 ekin = 0.299062308191112 | erot = 0.209117382947945 | epot = -15.1256937260212 | etot = -14.6175140348821 -697000 ekin = 0.30321380997214 | erot = 0.206651361568493 | epot = -15.1273792064064 | etot = -14.6175140348658 -698000 ekin = 0.30444525619219 | erot = 0.207822979229873 | epot = -15.1297822702705 | etot = -14.6175140348484 -699000 ekin = 0.302833983904948 | erot = 0.212867544425277 | epot = -15.1332155631607 | etot = -14.6175140348305 -700000 ekin = 0.29856859634332 | erot = 0.221923881123336 | epot = -15.1380065122785 | etot = -14.6175140348118 -701000 ekin = 0.291956369738242 | erot = 0.235022588976831 | epot = -15.1444929935074 | etot = -14.6175140347924 -702000 ekin = 0.283427734153835 | erot = 0.252078414121472 | epot = -15.153020183048 | etot = -14.6175140347727 -703000 ekin = 0.273534855576746 | erot = 0.272887068861365 | epot = -15.1639359591909 | etot = -14.6175140347528 -704000 ekin = 0.262941046164233 | erot = 0.297126498876432 | epot = -15.1775815797744 | etot = -14.6175140347337 -705000 ekin = 0.252398060444365 | erot = 0.324362359960393 | epot = -15.194274455122 | etot = -14.6175140347173 -706000 ekin = 0.242709489752073 | erot = 0.354057349893491 | epot = -15.2142808743513 | etot = -14.6175140347058 -707000 ekin = 0.234680465258637 | erot = 0.385584073394242 | epot = -15.2377785733552 | etot = -14.6175140347023 -708000 ekin = 0.229056562326157 | erot = 0.418241319394871 | epot = -15.264811916431 | etot = -14.61751403471 -709000 ekin = 0.226457657533258 | erot = 0.451273895783649 | epot = -15.2952455880485 | etot = -14.6175140347316 -710000 ekin = 0.227314828595311 | erot = 0.483896330830945 | epot = -15.3287251941949 | etot = -14.6175140347687 -711000 ekin = 0.231819479497128 | erot = 0.515320742171203 | epot = -15.3646542564898 | etot = -14.6175140348215 -712000 ekin = 0.239893150548963 | erot = 0.544788749312711 | epot = -15.4021959347498 | etot = -14.6175140348881 -713000 ekin = 0.251183758823288 | erot = 0.571606341188824 | epot = -15.4403041349766 | etot = -14.6175140349645 -714000 ekin = 0.265090036185525 | erot = 0.595179886372787 | epot = -15.4777839576035 | etot = -14.6175140350452 -715000 ekin = 0.280811306968559 | erot = 0.615050345044272 | epot = -15.5133756871366 | etot = -14.6175140351238 -716000 ekin = 0.297415784950407 | erot = 0.630922165703626 | epot = -15.5458519858478 | etot = -14.6175140351937 -717000 ekin = 0.313918116237917 | erot = 0.642683345316706 | epot = -15.5741154968041 | etot = -14.6175140352494 -718000 ekin = 0.329356373327112 | erot = 0.650413757300199 | epot = -15.597284165914 | etot = -14.6175140352867 -719000 ekin = 0.342860093484457 | erot = 0.654380316354483 | epot = -15.6147544451421 | etot = -14.6175140353032 -720000 ekin = 0.353703497403049 | erot = 0.655019233384572 | epot = -15.6262367660863 | etot = -14.6175140352987 -721000 ekin = 0.361340844905849 | erot = 0.652906431496321 | epot = -15.6317613116767 | etot = -14.6175140352745 -722000 ekin = 0.365423978941575 | erot = 0.648719378780931 | epot = -15.6316573929561 | etot = -14.6175140352336 -723000 ekin = 0.365803989072306 | erot = 0.643193727890481 | epot = -15.6265117521426 | etot = -14.6175140351798 -724000 ekin = 0.362520178745313 | erot = 0.637078359573022 | epot = -15.6171125734355 | etot = -14.6175140351172 -725000 ekin = 0.355779938480366 | erot = 0.631092082280502 | epot = -15.604386055811 | etot = -14.6175140350501 -726000 ekin = 0.345932952941823 | erot = 0.625884613514235 | epot = -15.5893316014386 | etot = -14.6175140349825 -727000 ekin = 0.333442641405672 | erot = 0.622003743386422 | epot = -15.5729604197101 | etot = -14.617514034918 -728000 ekin = 0.318857050497248 | erot = 0.619869891937897 | epot = -15.5562409772948 | etot = -14.6175140348596 -729000 ekin = 0.302780724957378 | erot = 0.619758691690217 | epot = -15.5400534514572 | etot = -14.6175140348096 -730000 ekin = 0.285848455041315 | erot = 0.621791770570811 | epot = -15.5251542603814 | etot = -14.6175140347693 -731000 ekin = 0.268701272205162 | erot = 0.625935552811657 | epot = -15.5121508597566 | etot = -14.6175140347398 -732000 ekin = 0.251964649664151 | erot = 0.632007594592174 | epot = -15.5014862789777 | etot = -14.6175140347214 -733000 ekin = 0.236228569496788 | erot = 0.639689689353094 | epot = -15.4934322935639 | etot = -14.617514034714 -734000 ekin = 0.222028960746823 | erot = 0.648546698715163 | epot = -15.4880896941794 | etot = -14.6175140347174 -735000 ekin = 0.209830023527925 | erot = 0.658049804517654 | epot = -15.4853938627761 | etot = -14.6175140347305 -736000 ekin = 0.200007166761159 | erot = 0.667602683399479 | epot = -15.4851238849135 | etot = -14.6175140347528 -737000 ekin = 0.192830719625055 | erot = 0.676569044421098 | epot = -15.4869137988298 | etot = -14.6175140347837 -738000 ekin = 0.188451200585547 | erot = 0.684300102137718 | epot = -15.4902653375453 | etot = -14.6175140348221 -739000 ekin = 0.186887639936592 | erot = 0.690160900651566 | epot = -15.4945625754552 | etot = -14.617514034867 -740000 ekin = 0.188021068410451 | erot = 0.693554915034906 | epot = -15.4990900183625 | etot = -14.6175140349172 -741000 ekin = 0.191595568995028 | erot = 0.693946922730537 | epot = -15.5030565266959 | etot = -14.6175140349703 -742000 ekin = 0.197228843628196 | erot = 0.690884208638673 | epot = -15.5056270872912 | etot = -14.6175140350243 -743000 ekin = 0.20443350363757 | erot = 0.684016821527744 | epot = -15.5059643602408 | etot = -14.6175140350755 -744000 ekin = 0.212648433381533 | erot = 0.673116668202852 | epot = -15.5032791367049 | etot = -14.6175140351205 -745000 ekin = 0.221277722248148 | erot = 0.658094727365387 | epot = -15.496886484769 | etot = -14.6175140351555 -746000 ekin = 0.229733012317517 | erot = 0.639014583781424 | epot = -15.4862616312763 | etot = -14.6175140351774 -747000 ekin = 0.2374740441444 | erot = 0.61610009667291 | epot = -15.4710881760011 | etot = -14.6175140351838 -748000 ekin = 0.244042266762953 | erot = 0.5897348727874 | epot = -15.4512911747243 | etot = -14.617514035174 -749000 ekin = 0.249083597953252 | erot = 0.56045151840338 | epot = -15.4270491515053 | etot = -14.6175140351487 -750000 ekin = 0.252358330147216 | erot = 0.528910066811307 | epot = -15.3987824320685 | etot = -14.61751403511 -751000 ekin = 0.253738423481735 | erot = 0.495866496254582 | epot = -15.3671189547979 | etot = -14.6175140350616 -752000 ekin = 0.253194394015788 | erot = 0.462133785333153 | epot = -15.3328422143563 | etot = -14.6175140350074 -753000 ekin = 0.250775308155868 | erot = 0.428539072350445 | epot = -15.2968284154581 | etot = -14.6175140349518 -754000 ekin = 0.246585878547032 | erot = 0.395880964578706 | epot = -15.2599808780244 | etot = -14.6175140348987 -755000 ekin = 0.240764398113293 | erot = 0.364890850085532 | epot = -15.2231692830501 | etot = -14.6175140348513 -756000 ekin = 0.23346447104344 | erot = 0.33620133003045 | epot = -15.1871798358857 | etot = -14.6175140348118 -757000 ekin = 0.224842467158388 | erot = 0.310323830730243 | epot = -15.1526803326699 | etot = -14.6175140347812 -758000 ekin = 0.215051562421428 | erot = 0.287636293952697 | epot = -15.120201891134 | etot = -14.6175140347599 -759000 ekin = 0.204242275876271 | erot = 0.268380753509857 | epot = -15.0901370641325 | etot = -14.6175140347464 -760000 ekin = 0.192568636065474 | erot = 0.252669695562842 | epot = -15.0627523663679 | etot = -14.6175140347396 -761000 ekin = 0.180198520175885 | erot = 0.240499428911651 | epot = -15.0382119838247 | etot = -14.6175140347371 -762000 ekin = 0.167326299029189 | erot = 0.231768292967787 | epot = -15.0166086267339 | etot = -14.6175140347369 -763000 ekin = 0.154185685901956 | erot = 0.226297425416186 | epot = -14.9979971460548 | etot = -14.6175140347367 -764000 ekin = 0.141060632748886 | erot = 0.22385200334864 | epot = -14.9824266708322 | etot = -14.6175140347347 -765000 ekin = 0.128292252296688 | erot = 0.224161332818126 | epot = -14.9699676198447 | etot = -14.6175140347299 -766000 ekin = 0.116280064488099 | erot = 0.226936813023238 | epot = -14.9607309122326 | etot = -14.6175140347212 -767000 ekin = 0.105476340626969 | erot = 0.23188750727037 | epot = -14.9548778826066 | etot = -14.6175140347093 -768000 ekin = 0.096372890945937 | erot = 0.238733641345087 | epot = -14.9526205669852 | etot = -14.6175140346942 -769000 ekin = 0.0894802427431669 | erot = 0.247218655409017 | epot = -14.9542129328294 | etot = -14.6175140346772 -770000 ekin = 0.0852997361093092 | erot = 0.257120353608164 | epot = -14.9599341243773 | etot = -14.6175140346598 -771000 ekin = 0.0842896183570599 | erot = 0.268261228608835 | epot = -14.9700648816096 | etot = -14.6175140346437 -772000 ekin = 0.0868267987477346 | erot = 0.280517313419992 | epot = -14.9848581467989 | etot = -14.6175140346312 -773000 ekin = 0.0931666172480206 | erot = 0.293824162660099 | epot = -15.0045048145328 | etot = -14.6175140346247 -774000 ekin = 0.103403843826671 | erot = 0.308178073397117 | epot = -15.0290959518505 | etot = -14.6175140346267 -775000 ekin = 0.117439110045757 | erot = 0.323630675217794 | epot = -15.0585838199034 | etot = -14.6175140346399 -776000 ekin = 0.134955835365974 | erot = 0.340275613675452 | epot = -15.0927454837074 | etot = -14.617514034666 -777000 ekin = 0.155413263635979 | erot = 0.358227842745911 | epot = -15.131155141088 | etot = -14.6175140347061 -778000 ekin = 0.178060391221893 | erot = 0.377596905889502 | epot = -15.1731713318714 | etot = -14.61751403476 -779000 ekin = 0.201973803865647 | erot = 0.398457850158065 | epot = -15.2179456888489 | etot = -14.6175140348252 -780000 ekin = 0.226119091214274 | erot = 0.420824480238275 | epot = -15.2644576063504 | etot = -14.6175140348978 -781000 ekin = 0.249431156626622 | erot = 0.444629585314847 | epot = -15.3115747769139 | etot = -14.6175140349725 -782000 ekin = 0.270904470269639 | erot = 0.469715692367583 | epot = -15.3581341976801 | etot = -14.6175140350429 -783000 ekin = 0.289681273783551 | erot = 0.495837747641305 | epot = -15.4030330565279 | etot = -14.617514035103 -784000 ekin = 0.305125009986927 | erot = 0.522676532161923 | epot = -15.445315577297 | etot = -14.6175140351482 -785000 ekin = 0.316868262923434 | erot = 0.549859353707342 | epot = -15.4842416518064 | etot = -14.6175140351756 -786000 ekin = 0.324828845889255 | erot = 0.576983310023016 | epot = -15.5193261910972 | etot = -14.6175140351849 -787000 ekin = 0.32919323387939 | erot = 0.603636505801527 | epot = -15.550343774859 | etot = -14.617514035178 -788000 ekin = 0.330371864852151 | erot = 0.629413875563716 | epot = -15.5772997755747 | etot = -14.6175140351588 -789000 ekin = 0.328934711355495 | erot = 0.653926193132344 | epot = -15.6003749396201 | etot = -14.6175140351322 -790000 ekin = 0.32553731947378 | erot = 0.676802790006292 | epot = -15.6198541445837 | etot = -14.6175140351036 -791000 ekin = 0.320847267933459 | erot = 0.697689943211487 | epot = -15.6360512462227 | etot = -14.6175140350777 -792000 ekin = 0.315479253539392 | erot = 0.716247584423973 | epot = -15.6492408730215 | etot = -14.6175140350582 -793000 ekin = 0.309944490982107 | erot = 0.732146955922051 | epot = -15.6596054819516 | etot = -14.6175140350474 -794000 ekin = 0.304617480925239 | erot = 0.745071299199412 | epot = -15.6672028151708 | etot = -14.6175140350461 -795000 ekin = 0.299720880976423 | erot = 0.754720862084592 | epot = -15.6719557781148 | etot = -14.6175140350538 -796000 ekin = 0.295327396180162 | erot = 0.760822658787278 | epot = -15.6736640900359 | etot = -14.6175140350685 -797000 ekin = 0.291376296851675 | erot = 0.763144639344914 | epot = -15.6720349712838 | etot = -14.6175140350872 -798000 ekin = 0.287701294703707 | erot = 0.761513269131401 | epot = -15.6667285989415 | etot = -14.6175140351064 -799000 ekin = 0.284065979572222 | erot = 0.755832991336602 | epot = -15.6574130060307 | etot = -14.6175140351219 -800000 ekin = 0.280202790631652 | erot = 0.746105645863969 | epot = -15.643822471626 | etot = -14.6175140351304 -801000 ekin = 0.275851560112653 | erot = 0.732447665813264 | epot = -15.6258132610543 | etot = -14.6175140351284 -802000 ekin = 0.270794034433592 | erot = 0.715102809072576 | epot = -15.6034108786199 | etot = -14.6175140351138 -803000 ekin = 0.264881442636465 | erot = 0.694448356025832 | epot = -15.5768438337476 | etot = -14.6175140350853 -804000 ekin = 0.258053167891105 | erot = 0.670993199746629 | epot = -15.5465604026808 | etot = -14.6175140350431 -805000 ekin = 0.250345604728483 | erot = 0.645366941436678 | epot = -15.5132265811537 | etot = -14.6175140349885 -806000 ekin = 0.241890533712104 | erot = 0.618299214644422 | epot = -15.4777037832803 | etot = -14.6175140349238 -807000 ekin = 0.232905655207387 | erot = 0.590591287736433 | epot = -15.4410109777962 | etot = -14.6175140348524 -808000 ekin = 0.223678061733381 | erot = 0.563080896688429 | epot = -15.4042729931999 | etot = -14.6175140347781 -809000 ekin = 0.21454303523099 | erot = 0.536602758842029 | epot = -15.3686598287782 | etot = -14.6175140347052 -810000 ekin = 0.205860488313568 | erot = 0.511947500023896 | epot = -15.3353220229752 | etot = -14.6175140346377 -811000 ekin = 0.197991117806005 | erot = 0.489821758278081 | epot = -15.3053269106636 | etot = -14.6175140345795 -812000 ekin = 0.191273941671524 | erot = 0.470812030934271 | epot = -15.2796000071394 | etot = -14.6175140345336 -813000 ekin = 0.186006404369985 | erot = 0.455354451062655 | epot = -15.2588748899354 | etot = -14.6175140345028 -814000 ekin = 0.18242775371236 | erot = 0.443712201374096 | epot = -15.243653989575 | etot = -14.6175140344885 -815000 ekin = 0.18070598633541 | erot = 0.435961774091635 | epot = -15.234181794919 | etot = -14.617514034492 -816000 ekin = 0.180928373605491 | erot = 0.431988814113314 | epot = -15.2304312222317 | etot = -14.6175140345129 -817000 ekin = 0.183095431234183 | erot = 0.431493858263631 | epot = -15.2321033240486 | etot = -14.6175140345508 -818000 ekin = 0.187118173911464 | erot = 0.434007895069526 | epot = -15.2386401035849 | etot = -14.6175140346039 -819000 ekin = 0.192818568053382 | erot = 0.43891728680681 | epot = -15.2492498895299 | etot = -14.6175140346697 -820000 ekin = 0.199933211814771 | erot = 0.445497181488374 | epot = -15.2629444280486 | etot = -14.6175140347454 -821000 ekin = 0.208120374081953 | erot = 0.452952069483821 | epot = -15.2785864783931 | etot = -14.6175140348273 -822000 ekin = 0.216970558498266 | erot = 0.460461605795678 | epot = -15.2949461992054 | etot = -14.6175140349114 -823000 ekin = 0.226020685629111 | erot = 0.467229260922827 | epot = -15.3107639815452 | etot = -14.6175140349933 -824000 ekin = 0.234771793851546 | erot = 0.47253085821668 | epot = -15.3248166871369 | etot = -14.6175140350687 -825000 ekin = 0.242709867661982 | erot = 0.475759712130438 | epot = -15.3359836149259 | etot = -14.6175140351335 -826000 ekin = 0.249329060857897 | erot = 0.476465014357233 | epot = -15.3433081103994 | etot = -14.6175140351843 -827000 ekin = 0.254156259485738 | erot = 0.474380409602743 | epot = -15.3460507043067 | etot = -14.6175140352182 -828000 ekin = 0.256775693170762 | erot = 0.46944038334452 | epot = -15.3437301117489 | etot = -14.6175140352336 -829000 ekin = 0.256852201216661 | erot = 0.461783092102077 | epot = -15.3361493285486 | etot = -14.6175140352298 -830000 ekin = 0.254151805816721 | erot = 0.451739467041208 | epot = -15.3234053080651 | etot = -14.6175140352072 -831000 ekin = 0.248558416433736 | erot = 0.439809632306583 | epot = -15.3058820839077 | etot = -14.6175140351674 -832000 ekin = 0.240085737091052 | erot = 0.426628719076076 | epot = -15.2842284912797 | etot = -14.6175140351126 -833000 ekin = 0.228883712687689 | erot = 0.412924890624274 | epot = -15.2593226383577 | etot = -14.6175140350458 -834000 ekin = 0.215239082681844 | erot = 0.399472764056086 | epot = -15.2322258817084 | etot = -14.6175140349705 -835000 ekin = 0.199569787294665 | erot = 0.387045440519586 | epot = -15.2041292627046 | etot = -14.6175140348904 -836000 ekin = 0.182413100763772 | erot = 0.376368114580803 | epot = -15.1762952501539 | etot = -14.6175140348093 -837000 ekin = 0.164407483062706 | erot = 0.36807582593139 | epot = -15.1499973437255 | etot = -14.6175140347314 -838000 ekin = 0.146268295773454 | erot = 0.362677435797712 | epot = -15.1264597662312 | etot = -14.61751403466 -839000 ekin = 0.128757768426402 | erot = 0.360527421580405 | epot = -15.1067992246056 | etot = -14.6175140345988 -840000 ekin = 0.112649960717984 | erot = 0.361806618656283 | epot = -15.091970613925 | etot = -14.6175140345507 -841000 ekin = 0.0986919456677054 | erot = 0.366512603929069 | epot = -15.0827185841153 | etot = -14.6175140345185 -842000 ekin = 0.0875630029234395 | erot = 0.374460003555771 | epot = -15.0795370409833 | etot = -14.6175140345041 -843000 ekin = 0.0798341847686366 | erot = 0.385290606532762 | epot = -15.08263882581 | etot = -14.6175140345086 -844000 ekin = 0.0759310929907395 | erot = 0.3984927697296 | epot = -15.0919378972525 | etot = -14.6175140345322 -845000 ekin = 0.076102961020352 | erot = 0.413429207168617 | epot = -15.107046202763 | etot = -14.617514034574 -846000 ekin = 0.0804010613290235 | erot = 0.429371869322532 | epot = -15.1272869652841 | etot = -14.6175140346325 -847000 ekin = 0.0886689809240873 | erot = 0.445542241998021 | epot = -15.1517252576265 | etot = -14.6175140347044 -848000 ekin = 0.100546421459775 | erot = 0.461155038711605 | epot = -15.179215494957 | etot = -14.6175140347856 -849000 ekin = 0.115486960010826 | erot = 0.475462945351677 | epot = -15.208463940234 | etot = -14.6175140348715 -850000 ekin = 0.132788806695669 | erot = 0.487799837752774 | epot = -15.2381026794056 | etot = -14.6175140349571 -851000 ekin = 0.15163622778631 | erot = 0.49761978557658 | epot = -15.2667700483999 | etot = -14.617514035037 -852000 ekin = 0.171148194576093 | erot = 0.5045292426275 | epot = -15.2931914723102 | etot = -14.6175140351066 -853000 ekin = 0.19043015939564 | erot = 0.508310157461229 | epot = -15.3162543520185 | etot = -14.6175140351617 -854000 ekin = 0.208624756899512 | erot = 0.508932337650922 | epot = -15.3350711297497 | etot = -14.6175140351993 -855000 ekin = 0.224957674812131 | erot = 0.506554231539335 | epot = -15.3490259415692 | etot = -14.6175140352178 -856000 ekin = 0.238775816538934 | erot = 0.501512259960027 | epot = -15.3578021117156 | etot = -14.6175140352166 -857000 ekin = 0.249575992233887 | erot = 0.494299801981668 | epot = -15.3613898294122 | etot = -14.6175140351967 -858000 ekin = 0.257023502073677 | erot = 0.485537766821904 | epot = -15.3600753040553 | etot = -14.6175140351598 -859000 ekin = 0.260960921285557 | erot = 0.47593924761589 | epot = -15.3544142040099 | etot = -14.6175140351084 -860000 ekin = 0.261408037072254 | erot = 0.466270984604724 | epot = -15.3451930567227 | etot = -14.6175140350457 -861000 ekin = 0.258554187538227 | erot = 0.457314264403266 | epot = -15.3333824869164 | etot = -14.6175140349749 -862000 ekin = 0.252744258033032 | erot = 0.449827506886351 | epot = -15.3200857998187 | etot = -14.6175140348993 -863000 ekin = 0.24445941779656 | erot = 0.444512141834286 | epot = -15.3064855944532 | etot = -14.6175140348224 -864000 ekin = 0.234293368840191 | erot = 0.441983030939893 | epot = -15.2937904345275 | etot = -14.6175140347474 -865000 ekin = 0.222924696624028 | erot = 0.442744308395087 | epot = -15.2831830396966 | etot = -14.6175140346775 -866000 ekin = 0.211086026109153 | erot = 0.447169652381141 | epot = -15.275769713106 | etot = -14.6175140346157 -867000 ekin = 0.199530465892741 | erot = 0.455487658924214 | epot = -15.2725321593816 | etot = -14.6175140345647 -868000 ekin = 0.188996288427104 | erot = 0.467771811643747 | epot = -15.2742821345979 | etot = -14.6175140345271 -869000 ekin = 0.180171161859106 | erot = 0.483934855626885 | epot = -15.2816200519912 | etot = -14.6175140345052 -870000 ekin = 0.17365741386822 | erot = 0.503727420429673 | epot = -15.2948988687985 | etot = -14.6175140345006 -871000 ekin = 0.169940429081846 | erot = 0.52674119313203 | epot = -15.3141956567285 | etot = -14.6175140345146 -872000 ekin = 0.169362274178155 | erot = 0.552417088945952 | epot = -15.3392933976716 | etot = -14.6175140345475 -873000 ekin = 0.172102391201285 | erot = 0.580058846014358 | epot = -15.3696752718142 | etot = -14.6175140345986 -874000 ekin = 0.17816700290151 | erot = 0.608852557307893 | epot = -15.4045335948759 | etot = -14.6175140346665 -875000 ekin = 0.187388233890407 | erot = 0.637892396630087 | epot = -15.4427946652692 | etot = -14.6175140347487 -876000 ekin = 0.19943318136702 | erot = 0.666212376945529 | epot = -15.4831595931541 | etot = -14.6175140348415 -877000 ekin = 0.213822249050307 | erot = 0.692823325238237 | epot = -15.5241596092293 | etot = -14.6175140349407 -878000 ekin = 0.229955728385699 | erot = 0.71675421264508 | epot = -15.5642239760723 | etot = -14.6175140350415 -879000 ekin = 0.24714610464469 | erot = 0.737095186135096 | epot = -15.6017553259188 | etot = -14.617514035139 -880000 ekin = 0.264653797001986 | erot = 0.753040153406107 | epot = -15.6352079856364 | etot = -14.6175140352283 -881000 ekin = 0.281723784261025 | erot = 0.763926241591362 | epot = -15.6631640611574 | etot = -14.617514035305 -882000 ekin = 0.297620641606497 | erot = 0.769267373447878 | epot = -15.6844020504201 | etot = -14.6175140353657 -883000 ekin = 0.31165996716591 | erot = 0.768779581882635 | epot = -15.6979535844562 | etot = -14.6175140354077 -884000 ekin = 0.32323477376766 | erot = 0.762396270684418 | epot = -15.7031450798815 | etot = -14.6175140354294 -885000 ekin = 0.331836099624976 | erot = 0.750272396067649 | epot = -15.6996225311232 | etot = -14.6175140354305 -886000 ekin = 0.33706775156376 | erot = 0.73277738526586 | epot = -15.6873591722413 | etot = -14.6175140354116 -887000 ekin = 0.33865564976609 | erot = 0.710477420750346 | epot = -15.6666471058906 | etot = -14.6175140353742 -888000 ekin = 0.336452632420724 | erot = 0.684108417156207 | epot = -15.6380750848973 | etot = -14.6175140353203 -889000 ekin = 0.330439768515565 | erot = 0.654541548240145 | epot = -15.6024953520085 | etot = -14.6175140352528 -890000 ekin = 0.320725208484774 | erot = 0.622743520027188 | epot = -15.5609827636863 | etot = -14.6175140351743 -891000 ekin = 0.30754138620901 | erot = 0.589733936087593 | epot = -15.5147893573847 | etot = -14.6175140350881 -892000 ekin = 0.291240998129824 | erot = 0.55654208039805 | epot = -15.4652971135248 | etot = -14.6175140349969 -893000 ekin = 0.272291667891339 | erot = 0.524165278720875 | epot = -15.413970981516 | etot = -14.6175140349038 -894000 ekin = 0.251268620703469 | erot = 0.493530718297772 | epot = -15.3623133738123 | etot = -14.617514034811 -895000 ekin = 0.228844131843647 | erot = 0.465462234286628 | epot = -15.3118204008517 | etot = -14.6175140347214 -896000 ekin = 0.205772103521931 | erot = 0.44065313730724 | epot = -15.2639392754666 | etot = -14.6175140346374 -897000 ekin = 0.182866017803037 | erot = 0.419645693758354 | epot = -15.2200257461231 | etot = -14.6175140345617 -898000 ekin = 0.160968870008541 | erot = 0.402817425242934 | epot = -15.1813003297485 | etot = -14.617514034497 -899000 ekin = 0.140914625128407 | erot = 0.390374024162942 | epot = -15.1488026837377 | etot = -14.6175140344464 -900000 ekin = 0.123482269337592 | erot = 0.382348451689143 | epot = -15.1233447554393 | etot = -14.6175140344126 -901000 ekin = 0.109345484385137 | erot = 0.3786057375543 | epot = -15.1054652563377 | etot = -14.6175140343982 -902000 ekin = 0.0990229789068443 | erot = 0.378853140166087 | epot = -15.0953901534781 | etot = -14.6175140344052 -903000 ekin = 0.0928360184564003 | erot = 0.382655585825594 | epot = -15.0930056387161 | etot = -14.6175140344341 -904000 ekin = 0.0908801123879861 | erot = 0.389456554773426 | epot = -15.0978507016452 | etot = -14.6175140344838 -905000 ekin = 0.0930167096525759 | erot = 0.398604648849945 | epot = -15.109135393054 | etot = -14.6175140345515 -906000 ekin = 0.0988880708462299 | erot = 0.409385812369135 | epot = -15.1257879178477 | etot = -14.6175140346323 -907000 ekin = 0.107954659147321 | erot = 0.421060528764021 | epot = -15.1465292226317 | etot = -14.6175140347203 -908000 ekin = 0.119550305154264 | erot = 0.432904367174404 | epot = -15.1699687071371 | etot = -14.6175140348085 -909000 ekin = 0.132947118364171 | erot = 0.44424923215812 | epot = -15.1947103854124 | etot = -14.6175140348901 -910000 ekin = 0.147420543333256 | erot = 0.454521879656354 | epot = -15.2194564579492 | etot = -14.6175140349595 -911000 ekin = 0.162305506309105 | erot = 0.463275978359162 | epot = -15.243095519681 | etot = -14.6175140350127 -912000 ekin = 0.177037050912775 | erot = 0.470214361754759 | epot = -15.264765447715 | etot = -14.6175140350475 -913000 ekin = 0.191172462463145 | erot = 0.47519909256641 | epot = -15.2838855900937 | etot = -14.6175140350641 -914000 ekin = 0.204395616840717 | erot = 0.478248345048037 | epot = -15.3001579969529 | etot = -14.6175140350642 -915000 ekin = 0.216507238695372 | erot = 0.479520616572283 | epot = -15.3135418903184 | etot = -14.6175140350507 -916000 ekin = 0.227406352399354 | erot = 0.479288139236181 | epot = -15.324208526663 | etot = -14.6175140350275 -917000 ekin = 0.237068358848421 | erot = 0.47790239272317 | epot = -15.3324847865699 | etot = -14.6175140349983 -918000 ekin = 0.245524170399261 | erot = 0.475755244752224 | epot = -15.3387934501184 | etot = -14.6175140349669 -919000 ekin = 0.252843202023974 | erot = 0.473239468155706 | epot = -15.343596705116 | etot = -14.6175140349363 -920000 ekin = 0.259121284815254 | erot = 0.470712244290015 | epot = -15.3473475640143 | etot = -14.617514034909 -921000 ekin = 0.264473144076574 | erot = 0.468464808092157 | epot = -15.3504519870554 | etot = -14.6175140348867 -922000 ekin = 0.269028180853983 | erot = 0.466700668341734 | epot = -15.3532428840659 | etot = -14.6175140348701 -923000 ekin = 0.272927944745736 | erot = 0.465523908452108 | epot = -15.3559658880573 | etot = -14.6175140348595 -924000 ekin = 0.276323793829006 | erot = 0.464938026324777 | epot = -15.3587758550082 | etot = -14.6175140348544 -925000 ekin = 0.279373649323259 | erot = 0.46485472138072 | epot = -15.361742405558 | etot = -14.617514034854 -926000 ekin = 0.282237300897742 | erot = 0.465111106681027 | epot = -15.3648624424358 | etot = -14.617514034857 -927000 ekin = 0.285070250341507 | erot = 0.465493135293317 | epot = -15.368077420497 | etot = -14.6175140348622 -928000 ekin = 0.288016501944515 | erot = 0.465762600718122 | epot = -15.3712931375312 | etot = -14.6175140348685 -929000 ekin = 0.291201026098165 | erot = 0.465684740678949 | epot = -15.3743998016517 | etot = -14.6175140348746 -930000 ekin = 0.294722459178849 | erot = 0.465054261989122 | epot = -15.3772907560474 | etot = -14.6175140348794 -931000 ekin = 0.298646764015069 | erot = 0.463717248452617 | epot = -15.37987804735 | etot = -14.6175140348823 -932000 ekin = 0.303002304639518 | erot = 0.461587311532337 | epot = -15.3821036510548 | etot = -14.6175140348829 -933000 ekin = 0.307776651094703 | erot = 0.458654945590446 | epot = -15.3839456315665 | etot = -14.6175140348813 -934000 ekin = 0.312915338271949 | erot = 0.454989722654232 | epot = -15.3854190958038 | etot = -14.6175140348776 -935000 ekin = 0.318322768321298 | erot = 0.450735625549576 | epot = -15.3865724287433 | etot = -14.6175140348724 -936000 ekin = 0.323865441581078 | erot = 0.4461003856938 | epot = -15.3874798621412 | etot = -14.6175140348663 -937000 ekin = 0.329377658420705 | erot = 0.441340069469478 | epot = -15.3882317627502 | etot = -14.61751403486 -938000 ekin = 0.334669609401419 | erot = 0.43674015463711 | epot = -15.3889237988925 | etot = -14.617514034854 -939000 ekin = 0.339538182698638 | erot = 0.43259572362611 | epot = -15.3896479411737 | etot = -14.6175140348489 -940000 ekin = 0.343779460435286 | erot = 0.429190561371808 | epot = -15.3904840566521 | etot = -14.617514034845 -941000 ekin = 0.347202304174038 | erot = 0.426777065358206 | epot = -15.3914934043749 | etot = -14.6175140348427 -942000 ekin = 0.349642062607923 | erot = 0.425558062624919 | epot = -15.3927141600748 | etot = -14.617514034842 -943000 ekin = 0.350973206935894 | erot = 0.425671371650785 | epot = -15.3941586134297 | etot = -14.617514034843 -944000 ekin = 0.351119786154916 | erot = 0.427178062459289 | epot = -15.3958118834598 | etot = -14.6175140348456 -945000 ekin = 0.350062816508881 | erot = 0.430055404933721 | epot = -15.3976322562924 | etot = -14.6175140348498 -946000 ekin = 0.347844068536826 | erot = 0.43419544779 | epot = -15.399553551182 | etot = -14.6175140348552 -947000 ekin = 0.344566017441624 | erot = 0.439410327984555 | epot = -15.4014903802875 | etot = -14.6175140348614 -948000 ekin = 0.340388212507466 | erot = 0.445444378277408 | epot = -15.4033466256523 | etot = -14.6175140348674 -949000 ekin = 0.335520427168573 | erot = 0.451992965714934 | epot = -15.405027427756 | etot = -14.6175140348725 -950000 ekin = 0.330213181196302 | erot = 0.458727107975965 | epot = -15.4064543240477 | etot = -14.6175140348755 -951000 ekin = 0.32474581655651 | erot = 0.465321341197607 | epot = -15.4075811926297 | etot = -14.6175140348755 -952000 ekin = 0.319412679962215 | erot = 0.471482169177628 | epot = -15.4084088840117 | etot = -14.6175140348718 -953000 ekin = 0.314508037100187 | erot = 0.476974139327395 | epot = -15.4089962112918 | etot = -14.6175140348642 -954000 ekin = 0.310309685024338 | erot = 0.48163943141798 | epot = -15.4094631512954 | etot = -14.6175140348531 -955000 ekin = 0.307061947765172 | erot = 0.485408201613879 | epot = -15.4099841842186 | etot = -14.6175140348396 -956000 ekin = 0.304958921288845 | erot = 0.488297803841432 | epot = -15.4107707599557 | etot = -14.6175140348254 -957000 ekin = 0.304129209168544 | erot = 0.490400499132465 | epot = -15.412043743114 | etot = -14.617514034813 -958000 ekin = 0.30462371461979 | erot = 0.491860923621405 | epot = -15.4139986730458 | etot = -14.6175140348046 -959000 ekin = 0.306408207891338 | erot = 0.492846142548894 | epot = -15.4167683852429 | etot = -14.6175140348027 -960000 ekin = 0.309362278812989 | erot = 0.493512316198202 | epot = -15.4203886298201 | etot = -14.6175140348089 -961000 ekin = 0.313285873784586 | erot = 0.493972653387296 | epot = -15.4247725619958 | etot = -14.6175140348239 -962000 ekin = 0.31791392478401 | erot = 0.494271324762717 | epot = -15.429699284394 | etot = -14.6175140348473 -963000 ekin = 0.322938673952677 | erot = 0.49436733773729 | epot = -15.4348200465674 | etot = -14.6175140348775 -964000 ekin = 0.328038281530642 | erot = 0.494131108238433 | epot = -15.4396834246807 | etot = -14.6175140349116 -965000 ekin = 0.332909295682699 | erot = 0.493354750676295 | epot = -15.4437780813051 | etot = -14.6175140349461 -966000 ekin = 0.33729968976251 | erot = 0.491775167781853 | epot = -15.4465888925212 | etot = -14.6175140349768 -967000 ekin = 0.341038574326505 | erot = 0.489107134739274 | epot = -15.4476597440655 | etot = -14.6175140349998 -968000 ekin = 0.344058508086205 | erot = 0.485082040988283 | epot = -15.446654584086 | etot = -14.6175140350116 -969000 ekin = 0.346406687226292 | erot = 0.479487053292162 | epot = -15.4434077755287 | etot = -14.6175140350102 -970000 ekin = 0.348242259950603 | erot = 0.472199376075359 | epot = -15.4379556710211 | etot = -14.6175140349951 -971000 ekin = 0.34981857790832 | erot = 0.46321104020783 | epot = -15.4305436530838 | etot = -14.6175140349677 -972000 ekin = 0.351451221504254 | erot = 0.452641107454446 | epot = -15.4216063638894 | etot = -14.6175140349307 -973000 ekin = 0.353474851841754 | erot = 0.440734047140903 | epot = -15.4117229338711 | etot = -14.6175140348884 -974000 ekin = 0.356193968986792 | erot = 0.42784496232361 | epot = -15.4015529661561 | etot = -14.6175140348457 -975000 ekin = 0.359834072253393 | erot = 0.414413971021987 | epot = -15.3917620780828 | etot = -14.6175140348074 -976000 ekin = 0.364500158165202 | erot = 0.400933139115816 | epot = -15.3829473320587 | etot = -14.6175140347777 -977000 ekin = 0.370148756532482 | erot = 0.387909813697021 | epot = -15.3755726049891 | etot = -14.6175140347596 -978000 ekin = 0.376577842833215 | erot = 0.375830059083025 | epot = -15.3699219366707 | etot = -14.6175140347545 -979000 ekin = 0.38343628910019 | erot = 0.365125297246779 | epot = -15.3660756211092 | etot = -14.6175140347622 -980000 ekin = 0.390251542223294 | erot = 0.35614439745949 | epot = -15.3639099744643 | etot = -14.6175140347816 -981000 ekin = 0.396471539317082 | erot = 0.349132547197932 | epot = -15.3631181213249 | etot = -14.6175140348099 -982000 ekin = 0.401514997593021 | erot = 0.344217435799683 | epot = -15.3632464682369 | etot = -14.6175140348442 -983000 ekin = 0.40482345877132 | erot = 0.341402706416172 | epot = -15.3637402000689 | etot = -14.6175140348814 -984000 ekin = 0.40590886668651 | erot = 0.340568324597744 | epot = -15.3639912262029 | etot = -14.6175140349187 -985000 ekin = 0.40439180306127 | erot = 0.341477444720355 | epot = -15.3633832827352 | etot = -14.6175140349536 -986000 ekin = 0.400027422801574 | erot = 0.34378943446128 | epot = -15.361330892247 | etot = -14.6175140349842 -987000 ekin = 0.392718180745197 | erot = 0.347078806738211 | epot = -15.3573110224925 | etot = -14.617514035009 -988000 ekin = 0.38251423921461 | erot = 0.35085976914659 | epot = -15.3508880433883 | etot = -14.6175140350271 -989000 ekin = 0.369603726654237 | erot = 0.354615837188711 | epot = -15.3417335988804 | etot = -14.6175140350375 -990000 ekin = 0.354295674461643 | erot = 0.357833454087933 | epot = -15.3296431635888 | etot = -14.6175140350392 -991000 ekin = 0.336998529351755 | erot = 0.360037895318059 | epot = -15.3145504597015 | etot = -14.6175140350317 -992000 ekin = 0.318196763890793 | erot = 0.360829065190808 | epot = -15.2965398640958 | etot = -14.6175140350142 -993000 ekin = 0.298427479538949 | erot = 0.359914303089432 | epot = -15.275855817615 | etot = -14.6175140349866 -994000 ekin = 0.278258203580391 | erot = 0.357135170965373 | epot = -15.2529074094948 | etot = -14.617514034949 -995000 ekin = 0.258266471895345 | erot = 0.352485480212691 | epot = -15.2282659870101 | etot = -14.617514034902 -996000 ekin = 0.239021351636229 | erot = 0.346118523027927 | epot = -15.2026539095112 | etot = -14.617514034847 -997000 ekin = 0.221066818081289 | erot = 0.338342492442898 | epot = -15.1769233453102 | etot = -14.617514034786 -998000 ekin = 0.204906835818331 | erot = 0.329604233509071 | epot = -15.1520251040488 | etot = -14.6175140347214 -999000 ekin = 0.190992053959174 | erot = 0.320462575795008 | epot = -15.1289686644104 | etot = -14.6175140346562 -1000000 ekin = 0.179708146665509 | erot = 0.311553394429298 | epot = -15.1087755756885 | etot = -14.6175140345937 - 1000000 0.013311715 -1.5443684 0.033490821 -1.4929067 -3.7544839e-05 -Loop time of 17.0535 on 1 procs for 1000000 steps with 10 atoms - -Performance: 50663.947 tau/day, 58638.827 timesteps/s -99.5% CPU use with 1 MPI tasks x no OpenMP threads - -MPI task timing breakdown: -Section | min time | avg time | max time |%varavg| %total ---------------------------------------------------------------- -Pair | 13.135 | 13.135 | 13.135 | 0.0 | 77.02 -Bond | 0.6362 | 0.6362 | 0.6362 | 0.0 | 3.73 -Neigh | 0 | 0 | 0 | 0.0 | 0.00 -Comm | 0.18919 | 0.18919 | 0.18919 | 0.0 | 1.11 -Output | 8e-06 | 8e-06 | 8e-06 | 0.0 | 0.00 -Modify | 2.8399 | 2.8399 | 2.8399 | 0.0 | 16.65 -Other | | 0.2536 | | | 1.49 - -Nlocal: 10.0 ave 10.0 max 10.0 min -Histogram: 1 0 0 0 0 0 0 0 0 0 -Nghost: 0.0 ave 0.0 max 0.0 min -Histogram: 1 0 0 0 0 0 0 0 0 0 -Neighs: 37.0 ave 37.0 max 37.0 min -Histogram: 1 0 0 0 0 0 0 0 0 0 - -Total # of neighbors = 37 -Ave neighs/atom = 3.7 -Ave special neighs/atom = 3.6 -Neighbor list builds = 0 -Dangerous builds = 0 - -#write_restart config.${number}.* -Total wall time: 0:00:17 diff --git a/examples/PACKAGES/cgdna/examples/oxDNA2/duplex1/log.30Jun20.duplex1.g++.4 b/examples/PACKAGES/cgdna/examples/oxDNA2/duplex1/log.30Jun20.duplex1.g++.4 deleted file mode 100644 index 134ef62d8f..0000000000 --- a/examples/PACKAGES/cgdna/examples/oxDNA2/duplex1/log.30Jun20.duplex1.g++.4 +++ /dev/null @@ -1,1182 +0,0 @@ -LAMMPS (30 Jun 2020) -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 -WARNING: Atom_style hybrid defines both pertype and peratom masses - both must be set, only peratom masses will be used (../atom_vec_hybrid.cpp:156) -atom_modify sort 0 1.0 - -# Pair interactions require lists of neighbours to be calculated -neighbor 1.0 bin -neigh_modify every 1 delay 0 check yes - -read_data data.duplex1 - orthogonal box = (-20 -20 -20) to (20 20 20) - 1 by 2 by 2 MPI processor grid - reading atoms ... - 10 atoms - reading velocities ... - 10 velocities - 10 ellipsoids - scanning bonds ... - 2 = max bonds/atom - reading bonds ... - 8 bonds - 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 = 0.004 seconds - -set atom * mass 3.1575 - 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 - 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} 1.0 0.815 -pair_coeff * * oxdna2/dh 0.1 1.0 0.815 - -# NVE ensemble -fix 1 all nve/dot -#fix 1 all nve/dotc/langevin ${T} ${T} 0.03 457145 angmom 10 -#fix 1 all nve/asphere -#fix 2 all langevin ${T} ${T} 0.03 457145 angmom 10 - -timestep 1e-5 - -#comm_style tiled -#fix 3 all balance 10000 1.1 rcb -comm_modify cutoff 2.5 - -#compute mol all chunk/atom molecule -#compute mychunk all vcm/chunk mol -#fix 4 all ave/time 10000 1 10000 c_mychunk[1] c_mychunk[2] c_mychunk[3] file vcm.txt mode vector - -#dump pos all xyz ${ofreq} traj.${number}.xyz - -#compute quat all property/atom quatw quati quatj quatk -#dump quat all custom ${ofreq} quat.${number}.txt id c_quat[1] c_quat[2] c_quat[3] c_quat[4] -#dump_modify quat sort id -#dump_modify quat format line "%d %13.6le %13.6le %13.6le %13.6le" - -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}.txt id x y z vx vy vz fx fy fz tqx tqy tqz -#dump_modify out sort id -#dump_modify out format line "%d %13.6le %13.6le %13.6le %13.6le %13.6le %13.6le %13.6le %13.6le %13.6le %13.6le %13.6le %13.6le" - -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 = 2.6274048 - ghost atom cutoff = 2.6274048 - binsize = 1.3137024, bins = 31 31 31 - 6 neighbor lists, perpetual/occasional/extra = 6 0 0 - (1) pair oxdna2/excv, perpetual - attributes: half, newton off - pair build: half/bin/newtoff - stencil: half/bin/3d/newtoff - bin: standard - (2) pair oxdna2/stk, perpetual, copy from (1) - attributes: half, newton off - pair build: copy - stencil: none - bin: none - (3) pair oxdna2/hbond, perpetual, copy from (1) - attributes: half, newton off - pair build: copy - stencil: none - bin: none - (4) pair oxdna2/xstk, perpetual, copy from (1) - attributes: half, newton off - pair build: copy - stencil: none - bin: none - (5) pair oxdna2/coaxstk, perpetual, copy from (1) - attributes: half, newton off - pair build: copy - stencil: none - bin: none - (6) pair oxdna2/dh, perpetual, copy from (1) - attributes: half, newton off - pair build: copy - stencil: none - bin: none -WARNING: Communication cutoff adjusted to 2.627404783947349 (../comm.cpp:690) -0 ekin = 0 | erot = 0 | epot = -14.6175140343334 | etot = -14.6175140343334 -Per MPI rank memory allocation (min/avg/max) = 7.903 | 7.96 | 8.018 Mbytes -Step Temp E_pair E_mol TotEng Press - 0 0 -1.4712768 0.009525411 -1.4617514 4.663076e-06 -1000 ekin = 0.00113086229080478 | erot = 0.00431010160406708 | epot = -14.6229549982368 | etot = -14.617514034342 -2000 ekin = 0.00448533224342286 | erot = 0.0171407706505013 | epot = -14.6391401372615 | etot = -14.6175140343675 -3000 ekin = 0.0099503525964896 | erot = 0.0381961780846439 | epot = -14.6656605650904 | etot = -14.6175140344093 -4000 ekin = 0.0173418024861991 | erot = 0.0669935184860482 | epot = -14.7018493554381 | etot = -14.6175140344659 -5000 ekin = 0.0264109356285965 | erot = 0.102878288094483 | epot = -14.7468032582586 | etot = -14.6175140345355 -6000 ekin = 0.0368533113591267 | erot = 0.14504542056981 | epot = -14.7994127665446 | etot = -14.6175140346157 -7000 ekin = 0.0483200640564583 | erot = 0.192565862515414 | epot = -14.8583999612755 | etot = -14.6175140347036 -8000 ekin = 0.0604312317605635 | erot = 0.244417870131371 | epot = -14.9223631366881 | etot = -14.6175140347962 -9000 ekin = 0.072790711967127 | erot = 0.299521949931656 | epot = -14.9898266967887 | etot = -14.6175140348899 -10000 ekin = 0.0850022498874609 | erot = 0.356777997217668 | epot = -15.0592942820866 | etot = -14.6175140349815 -11000 ekin = 0.0966857134040954 | erot = 0.415102860829322 | epot = -15.1293026093009 | etot = -14.6175140350675 -12000 ekin = 0.107492790688356 | erot = 0.473466334177699 | epot = -15.1984731600111 | etot = -14.617514035145 -13000 ekin = 0.117121180381612 | erot = 0.530923485009329 | epot = -15.2655587006024 | etot = -14.6175140352115 -14000 ekin = 0.125326348459051 | erot = 0.586641324447251 | epot = -15.3294817081714 | etot = -14.6175140352651 -15000 ekin = 0.131930017119328 | erot = 0.63991810423422 | epot = -15.3893621566583 | etot = -14.6175140353048 -16000 ekin = 0.136824741331405 | erot = 0.690194029500566 | epot = -15.4445328061626 | etot = -14.6175140353306 -17000 ekin = 0.139974218116171 | erot = 0.737052866147306 | epot = -15.4945411196066 | etot = -14.6175140353432 -18000 ekin = 0.141409342139797 | erot = 0.780214750583043 | epot = -15.5391381280668 | etot = -14.617514035344 -19000 ekin = 0.141220424903361 | erot = 0.819521373491177 | epot = -15.5782558337298 | etot = -14.6175140353352 -20000 ekin = 0.139546371890511 | erot = 0.854915474127585 | epot = -15.6119758813374 | etot = -14.6175140353193 -21000 ekin = 0.136561897558541 | erot = 0.886417110947522 | epot = -15.6404930438047 | etot = -14.6175140352986 -22000 ekin = 0.132464002543684 | erot = 0.914099368829796 | epot = -15.6640774066492 | etot = -14.6175140352758 -23000 ekin = 0.127458921012898 | erot = 0.938065991541741 | epot = -15.6830389478072 | etot = -14.6175140352525 -24000 ekin = 0.121750582423396 | erot = 0.958432936326346 | epot = -15.6976975539803 | etot = -14.6175140352306 -25000 ekin = 0.115531361419039 | erot = 0.975315142931434 | epot = -15.7083605395612 | etot = -14.6175140352107 -26000 ekin = 0.108975565586195 | erot = 0.988819027952452 | epot = -15.715308628732 | etot = -14.6175140351934 -27000 ekin = 0.102235785319183 | erot = 0.999040485514706 | epot = -15.7187903060122 | etot = -14.6175140351783 -28000 ekin = 0.0954419434320554 | erot = 1.00606759141037 | epot = -15.7190235700075 | etot = -14.6175140351651 -29000 ekin = 0.0887026587346012 | erot = 1.00998681843686 | epot = -15.7162035123244 | etot = -14.6175140351529 -30000 ekin = 0.0821083868016836 | erot = 1.01089138149989 | epot = -15.7105138034423 | etot = -14.6175140351407 -31000 ekin = 0.0757357206090521 | erot = 1.00889031641421 | epot = -15.702140072151 | etot = -14.6175140351278 -32000 ekin = 0.0696522149391935 | erot = 1.00411701390103 | epot = -15.6912832639534 | etot = -14.6175140351132 -33000 ekin = 0.0639211300031737 | erot = 0.996736133736263 | epot = -15.6781712988358 | etot = -14.6175140350964 -34000 ekin = 0.0586055597942697 | erot = 0.986948071944207 | epot = -15.6630676668155 | etot = -14.617514035077 -35000 ekin = 0.0537715085522448 | erot = 0.974990414618501 | epot = -15.6462759582258 | etot = -14.617514035055 -36000 ekin = 0.0494895953267295 | erot = 0.961136064968264 | epot = -15.6281396953257 | etot = -14.6175140350307 -37000 ekin = 0.0458351949408502 | erot = 0.945687966087874 | epot = -15.6090371960337 | etot = -14.617514035005 -38000 ekin = 0.0428869588018996 | erot = 0.928970560853581 | epot = -15.5893715546342 | etot = -14.6175140349787 -39000 ekin = 0.0407237982125063 | erot = 0.911318339680438 | epot = -15.5695561728459 | etot = -14.617514034953 -40000 ekin = 0.0394205547756063 | erot = 0.893062038098217 | epot = -15.5499966278032 | etot = -14.6175140349294 -41000 ekin = 0.0390427256108178 | erot = 0.874513269991183 | epot = -15.5310700305113 | etot = -14.6175140349092 -42000 ekin = 0.0396407506458889 | erot = 0.855948622306388 | epot = -15.5131034078463 | etot = -14.617514034894 -43000 ekin = 0.0412444930542012 | erot = 0.837594480923648 | epot = -15.4963530088627 | etot = -14.6175140348848 -44000 ekin = 0.0438586280729573 | erot = 0.819614069272763 | epot = -15.4809867322283 | etot = -14.6175140348826 -45000 ekin = 0.0474596621514809 | erot = 0.802098297010425 | epot = -15.4670719940496 | etot = -14.6175140348876 -46000 ekin = 0.0519951857190001 | erot = 0.785061947877089 | epot = -15.4545711684958 | etot = -14.6175140348997 -47000 ekin = 0.0573856747188828 | erot = 0.768446392385995 | epot = -15.4433461020223 | etot = -14.6175140349174 -48000 ekin = 0.0635286843628562 | erot = 0.752129335015535 | epot = -15.433172054318 | etot = -14.6175140349396 -49000 ekin = 0.0703046735384702 | erot = 0.735941123250163 | epot = -15.4237598317528 | etot = -14.6175140349642 -50000 ekin = 0.0775831019852491 | erot = 0.719686007780774 | epot = -15.4147831447551 | etot = -14.6175140349891 -51000 ekin = 0.0852270843840623 | erot = 0.703165726694424 | epot = -15.4059068460916 | etot = -14.6175140350132 -52000 ekin = 0.0930950223446157 | erot = 0.686202231165621 | epot = -15.3968112885448 | etot = -14.6175140350346 -53000 ekin = 0.101038429252411 | erot = 0.668656546988554 | epot = -15.3872090112944 | etot = -14.6175140350534 -54000 ekin = 0.108896540979999 | erot = 0.65044172617409 | epot = -15.3768523022237 | etot = -14.6175140350696 -55000 ekin = 0.116489881625605 | erot = 0.631529329347953 | epot = -15.3655332460571 | etot = -14.6175140350836 -56000 ekin = 0.12361610349128 | erot = 0.611950383382754 | epot = -15.3530805219694 | etot = -14.6175140350954 -57000 ekin = 0.130051530400511 | erot = 0.591792721317636 | epot = -15.3393582868229 | etot = -14.6175140351047 -58000 ekin = 0.135560625192868 | erot = 0.571196690673809 | epot = -15.3242713509772 | etot = -14.6175140351105 -59000 ekin = 0.13991335082652 | erot = 0.550350463180971 | epot = -15.307777849119 | etot = -14.6175140351115 -60000 ekin = 0.142907875045205 | erot = 0.529485019663366 | epot = -15.2899069298149 | etot = -14.6175140351063 -61000 ekin = 0.144394224776987 | erot = 0.508867904999859 | epot = -15.2707761648709 | etot = -14.6175140350941 -62000 ekin = 0.14429400378525 | erot = 0.488794507593493 | epot = -15.2506025464535 | etot = -14.6175140350748 -63000 ekin = 0.142612256997681 | erot = 0.469576039422599 | epot = -15.2297023314693 | etot = -14.617514035049 -64000 ekin = 0.139439544726489 | erot = 0.451524344955609 | epot = -15.2084779247008 | etot = -14.6175140350187 -65000 ekin = 0.134944526553205 | erot = 0.434934714914789 | epot = -15.1873932764541 | etot = -14.6175140349861 -66000 ekin = 0.129359146357915 | erot = 0.42006860776795 | epot = -15.1669417890793 | etot = -14.6175140349534 -67000 ekin = 0.122959458763979 | erot = 0.407138362060406 | epot = -15.1476118557473 | etot = -14.6175140349229 -68000 ekin = 0.116045210525348 | erot = 0.396295631876791 | epot = -15.1298548772989 | etot = -14.6175140348967 -69000 ekin = 0.108920722072196 | erot = 0.387624589972286 | epot = -15.1140593469203 | etot = -14.6175140348758 -70000 ekin = 0.10187874072944 | erot = 0.381140173640969 | epot = -15.1005329492312 | etot = -14.6175140348608 -71000 ekin = 0.0951880561483024 | erot = 0.376791007701474 | epot = -15.0894930987017 | etot = -14.6175140348519 -72000 ekin = 0.0890849677261225 | erot = 0.374466237250124 | epot = -15.0810652398251 | etot = -14.6175140348489 -73000 ekin = 0.0837682427021172 | erot = 0.37400534759948 | epot = -15.0752876251526 | etot = -14.617514034851 -74000 ekin = 0.0793969849743902 | erot = 0.375210076750066 | epot = -15.0721210965819 | etot = -14.6175140348574 -75000 ekin = 0.0760907865069309 | erot = 0.377857644571635 | epot = -15.0714624659456 | etot = -14.617514034867 -76000 ekin = 0.073931583490861 | erot = 0.381714646754472 | epot = -15.073160265124 | etot = -14.6175140348787 -77000 ekin = 0.0729667273608691 | erot = 0.386551032955436 | epot = -15.0770317952076 | etot = -14.6175140348913 -78000 ekin = 0.0732128655080132 | erot = 0.392153586682573 | epot = -15.0828804870945 | etot = -14.6175140349039 -79000 ekin = 0.0746602878351816 | erot = 0.398338263928879 | epot = -15.0905125866795 | etot = -14.6175140349154 -80000 ekin = 0.0772774298946258 | erot = 0.404960669862598 | epot = -15.0997521346822 | etot = -14.617514034925 -81000 ekin = 0.0810152396747851 | erot = 0.411923913358685 | epot = -15.1104531879654 | etot = -14.617514034932 -82000 ekin = 0.0858111278281503 | erot = 0.419183131304765 | epot = -15.122508294069 | etot = -14.6175140349361 -83000 ekin = 0.0915922459207823 | erot = 0.426746154030485 | epot = -15.1358524348888 | etot = -14.6175140349375 -84000 ekin = 0.0982778862655832 | erot = 0.434670094582864 | epot = -15.1504620157849 | etot = -14.6175140349364 -85000 ekin = 0.105780875252437 | erot = 0.443054055542249 | epot = -15.1663489657283 | etot = -14.6175140349336 -86000 ekin = 0.114007936320836 | erot = 0.452028591870875 | epot = -15.1835505631216 | etot = -14.6175140349299 -87000 ekin = 0.122859117093393 | erot = 0.461742961599463 | epot = -15.2021161136192 | etot = -14.6175140349264 -88000 ekin = 0.132226490250757 | erot = 0.472351454261397 | epot = -15.2220919794359 | etot = -14.6175140349237 -89000 ekin = 0.141992430435586 | erot = 0.48400015022936 | epot = -15.243506615588 | etot = -14.6175140349231 -90000 ekin = 0.152027823849156 | erot = 0.496815313840275 | epot = -15.2663571726144 | etot = -14.617514034925 -91000 ekin = 0.162190574344531 | erot = 0.510894287760946 | epot = -15.2905988970356 | etot = -14.6175140349301 -92000 ekin = 0.172324730223634 | erot = 0.526299304076921 | epot = -15.3161380692392 | etot = -14.6175140349387 -93000 ekin = 0.182260479602882 | erot = 0.543054150884053 | epot = -15.3428286654374 | etot = -14.6175140349505 -94000 ekin = 0.19181516642483 | erot = 0.561143224560411 | epot = -15.3704724259507 | etot = -14.6175140349654 -95000 ekin = 0.200795384590157 | erot = 0.580512230413436 | epot = -15.398821649987 | etot = -14.6175140349834 -96000 ekin = 0.209000133284529 | erot = 0.601069706845066 | epot = -15.4275838751334 | etot = -14.6175140350038 -97000 ekin = 0.216224974983237 | erot = 0.62268863993255 | epot = -15.4564276499423 | etot = -14.6175140350265 -98000 ekin = 0.222267131485539 | erot = 0.6452076702458 | epot = -15.4849888367823 | etot = -14.617514035051 -99000 ekin = 0.226931474008825 | erot = 0.668431711039527 | epot = -15.5128772201251 | etot = -14.6175140350767 -100000 ekin = 0.230037392185109 | erot = 0.692132125756159 | epot = -15.5396835530446 | etot = -14.6175140351033 -101000 ekin = 0.231426538774162 | erot = 0.716046886548711 | epot = -15.5649874604531 | etot = -14.6175140351302 -102000 ekin = 0.230971416185847 | erot = 0.739881303910146 | epot = -15.5883667552525 | etot = -14.6175140351565 -103000 ekin = 0.228584676860608 | erot = 0.763309953364731 | epot = -15.6094086654068 | etot = -14.6175140351814 -104000 ekin = 0.224228843046253 | erot = 0.78598032692129 | epot = -15.6277232051714 | etot = -14.6175140352039 -105000 ekin = 0.217925953180068 | erot = 0.807518535459536 | epot = -15.6429585238624 | etot = -14.6175140352228 -106000 ekin = 0.209766205881383 | erot = 0.827537066837229 | epot = -15.6548173079557 | etot = -14.6175140352371 -107000 ekin = 0.199914663118832 | erot = 0.845644346598305 | epot = -15.6630730449629 | etot = -14.6175140352458 -108000 ekin = 0.188614735690438 | erot = 0.86145556230374 | epot = -15.6675843332424 | etot = -14.6175140352482 -109000 ekin = 0.176187061060969 | erot = 0.874603999194657 | epot = -15.6683050954996 | etot = -14.617514035244 -110000 ekin = 0.163022626611269 | erot = 0.884752084634178 | epot = -15.6652887464788 | etot = -14.6175140352334 -111000 ekin = 0.149569382110055 | erot = 0.891601400936344 | epot = -15.6586848182636 | etot = -14.6175140352172 -112000 ekin = 0.136312261124298 | erot = 0.894901120601569 | epot = -15.6487274169225 | etot = -14.6175140351967 -113000 ekin = 0.123747404857111 | erot = 0.894454602034433 | epot = -15.635716042065 | etot = -14.6175140351735 -114000 ekin = 0.112352324429236 | erot = 0.89012419645392 | epot = -15.6199905560327 | etot = -14.6175140351496 -115000 ekin = 0.102554569787019 | erot = 0.881834585428133 | epot = -15.601903190342 | etot = -14.6175140351268 -116000 ekin = 0.094702004709198 | erot = 0.869575126615747 | epot = -15.5817911664316 | etot = -14.6175140351067 -117000 ekin = 0.0890378681933156 | erot = 0.853401690495617 | epot = -15.5599535937792 | etot = -14.6175140350902 -118000 ekin = 0.0856833736304911 | erot = 0.833438318820653 | epot = -15.536635727529 | etot = -14.6175140350778 -119000 ekin = 0.0846297171115028 | erot = 0.809878764033866 | epot = -15.5120225162146 | etot = -14.6175140350693 -120000 ekin = 0.0857402026933537 | erot = 0.782987649503194 | epot = -15.4862418872603 | etot = -14.6175140350638 -121000 ekin = 0.0887619781646647 | erot = 0.753100709617513 | epot = -15.4593767228421 | etot = -14.61751403506 -122000 ekin = 0.0933458418333701 | erot = 0.720623403983765 | epot = -15.4314832808735 | etot = -14.6175140350564 -123000 ekin = 0.0990718975136712 | erot = 0.686027198351099 | epot = -15.4026131309163 | etot = -14.6175140350515 -124000 ekin = 0.10547856753477 | erot = 0.649842971568616 | epot = -15.3728355741476 | etot = -14.6175140350442 -125000 ekin = 0.112092583657157 | erot = 0.612651306911466 | epot = -15.3422579256018 | etot = -14.6175140350331 -126000 ekin = 0.118457948669929 | erot = 0.575069793126885 | epot = -15.3110417768148 | etot = -14.6175140350179 -127000 ekin = 0.12416235209736 | erot = 0.537737821904032 | epot = -15.2794142089994 | etot = -14.617514034998 -128000 ekin = 0.12886000047466 | erot = 0.50129966007338 | epot = -15.2476736955216 | etot = -14.6175140349735 -129000 ekin = 0.132290197680968 | erot = 0.466386755141928 | epot = -15.2161909877676 | etot = -14.6175140349447 -130000 ekin = 0.134291248322799 | erot = 0.433600287194598 | epot = -15.1854055704295 | etot = -14.6175140349121 -131000 ekin = 0.134809368078731 | erot = 0.403494917850824 | epot = -15.1558183208059 | etot = -14.6175140348763 -132000 ekin = 0.133902311412609 | erot = 0.376564532721137 | epot = -15.1279808789722 | etot = -14.6175140348384 -133000 ekin = 0.131737425949523 | erot = 0.35323055944927 | epot = -15.102482020198 | etot = -14.6175140347992 -134000 ekin = 0.128583872249503 | erot = 0.333833200744645 | epot = -15.0799311077543 | etot = -14.6175140347601 -135000 ekin = 0.124798858318881 | erot = 0.318625678761018 | epot = -15.0609385718023 | etot = -14.6175140347224 -136000 ekin = 0.120807966950657 | erot = 0.307771366705204 | epot = -15.0460933683435 | etot = -14.6175140346876 -137000 ekin = 0.117080018573046 | erot = 0.301343503849178 | epot = -15.0359375570798 | etot = -14.6175140346576 -138000 ekin = 0.11409740445119 | erot = 0.299327064918184 | epot = -15.0309385040035 | etot = -14.6175140346342 -139000 ekin = 0.112323403877017 | erot = 0.30162229304682 | epot = -15.0314597315429 | etot = -14.6175140346191 -140000 ekin = 0.112168587316825 | erot = 0.308049410073269 | epot = -15.0377320320041 | etot = -14.617514034614 -141000 ekin = 0.113958896787242 | erot = 0.318354084563179 | epot = -15.0498270159708 | etot = -14.6175140346204 -142000 ekin = 0.117908250109871 | erot = 0.332213334114279 | epot = -15.0676356188632 | etot = -14.6175140346391 -143000 ekin = 0.124098500240005 | erot = 0.349241744869171 | epot = -15.0908542797795 | etot = -14.6175140346704 -144000 ekin = 0.132469049162189 | erot = 0.368998042344344 | epot = -15.1189811262203 | etot = -14.6175140347138 -145000 ekin = 0.142817534773286 | erot = 0.390992018433719 | epot = -15.1513235879751 | etot = -14.6175140347681 -146000 ekin = 0.154812002594074 | erot = 0.414692148539669 | epot = -15.1870181859652 | etot = -14.6175140348314 -147000 ekin = 0.168013608208222 | erot = 0.439534147564146 | epot = -15.2250617906734 | etot = -14.617514034901 -148000 ekin = 0.181907755044263 | erot = 0.464930715993231 | epot = -15.2643525060114 | etot = -14.617514034974 -149000 ekin = 0.195940689918476 | erot = 0.490282644231627 | epot = -15.303737369197 | etot = -14.6175140350469 -150000 ekin = 0.209558115498224 | erot = 0.514991307803342 | epot = -15.3420634584183 | etot = -14.6175140351167 -151000 ekin = 0.222242375358764 | erot = 0.538472447670959 | epot = -15.37822885821 | etot = -14.6175140351803 -152000 ekin = 0.233545181100908 | erot = 0.560170967505261 | epot = -15.4112301838413 | etot = -14.6175140352351 -153000 ekin = 0.243113638171877 | erot = 0.579575715964384 | epot = -15.4402033894153 | etot = -14.6175140352791 -154000 ekin = 0.250708030719506 | erot = 0.596234520730852 | epot = -15.4644565867613 | etot = -14.617514035311 -155000 ekin = 0.256210874594867 | erot = 0.60976818504912 | epot = -15.4834930949737 | etot = -14.6175140353297 -156000 ekin = 0.259627463842678 | erot = 0.619882772314523 | epot = -15.4970242714926 | etot = -14.6175140353354 -157000 ekin = 0.261078756733762 | erot = 0.626379517381851 | epot = -15.5049723094439 | etot = -14.6175140353283 -158000 ekin = 0.260787877594799 | erot = 0.629161788909728 | epot = -15.5074637018138 | etot = -14.6175140353093 -159000 ekin = 0.259061752299363 | erot = 0.628238692725143 | epot = -15.5048144803044 | etot = -14.6175140352799 -160000 ekin = 0.256269476947947 | erot = 0.623725097357694 | epot = -15.4975086095473 | etot = -14.6175140352416 -161000 ekin = 0.252818974262676 | erot = 0.615838055764808 | epot = -15.486171065224 | etot = -14.6175140351965 -162000 ekin = 0.249133354780831 | erot = 0.604889772113657 | epot = -15.471537162041 | etot = -14.6175140351465 -163000 ekin = 0.245628201594069 | erot = 0.591277407065719 | epot = -15.4544196437535 | etot = -14.6175140350937 -164000 ekin = 0.242690765770497 | erot = 0.575470125399849 | epot = -15.4356749262106 | etot = -14.6175140350402 -165000 ekin = 0.240661818237638 | erot = 0.557993868663582 | epot = -15.4161697218892 | etot = -14.617514034988 -166000 ekin = 0.239820672159809 | erot = 0.53941438884916 | epot = -15.3967490959478 | etot = -14.6175140349388 -167000 ekin = 0.240373682616981 | erot = 0.520319112884548 | epot = -15.3782068303959 | etot = -14.6175140348944 -168000 ekin = 0.24244635767337 | erot = 0.501298426047094 | epot = -15.3612588185766 | etot = -14.6175140348562 -169000 ekin = 0.246079081489486 | erot = 0.482926967022081 | epot = -15.3465200833369 | etot = -14.6175140348253 -170000 ekin = 0.251226355670601 | erot = 0.465745518941346 | epot = -15.3344859094148 | etot = -14.6175140348028 -171000 ekin = 0.257759407502439 | erot = 0.450244072412675 | epot = -15.3255175147044 | etot = -14.6175140347893 -172000 ekin = 0.265471962314995 | erot = 0.43684655757276 | epot = -15.3198325546728 | etot = -14.617514034785 -173000 ekin = 0.274088992052566 | erot = 0.425897760802307 | epot = -15.317500787645 | etot = -14.6175140347901 -174000 ekin = 0.283278228107989 | erot = 0.417652965987653 | epot = -15.3184452288998 | etot = -14.6175140348041 -175000 ekin = 0.292664164217049 | erot = 0.41227065206718 | epot = -15.3224488511106 | etot = -14.6175140348264 -176000 ekin = 0.301844276743974 | erot = 0.409808663993543 | epot = -15.3291669755933 | etot = -14.6175140348558 -177000 ekin = 0.310407103277722 | erot = 0.410224178773613 | epot = -15.338145316942 | etot = -14.6175140348907 -178000 ekin = 0.317951707448459 | erot = 0.413377690533319 | epot = -15.3488434329112 | etot = -14.6175140349295 -179000 ekin = 0.324107901131331 | erot = 0.419041092199345 | epot = -15.3606630283007 | etot = -14.61751403497 -180000 ekin = 0.328556397748226 | erot = 0.426909726007329 | epot = -15.3729801587658 | etot = -14.6175140350103 -181000 ekin = 0.331047834153872 | erot = 0.436618006902467 | epot = -15.3851798761041 | etot = -14.6175140350478 -182000 ekin = 0.331419420114469 | erot = 0.447757936314679 | epot = -15.3966913915095 | etot = -14.6175140350803 -183000 ekin = 0.32960779233749 | erot = 0.459899520065503 | epot = -15.4070213475091 | etot = -14.6175140351061 -184000 ekin = 0.325656516855028 | erot = 0.472611792133139 | epot = -15.4157823441118 | etot = -14.6175140351236 -185000 ekin = 0.319716934487211 | erot = 0.485483030927449 | epot = -15.4227140005469 | etot = -14.6175140351322 -186000 ekin = 0.312041347782212 | erot = 0.498138700398001 | epot = -15.4276940833121 | etot = -14.6175140351319 -187000 ekin = 0.302968200961153 | erot = 0.510255791848845 | epot = -15.4307380279334 | etot = -14.6175140351234 -188000 ekin = 0.292899787356355 | erot = 0.5215725520513 | epot = -15.4319863745157 | etot = -14.6175140351081 -189000 ekin = 0.282274048055605 | erot = 0.531893031493143 | epot = -15.4316811146372 | etot = -14.6175140350884 -190000 ekin = 0.271533034588949 | erot = 0.541086413296656 | epot = -15.4301334829521 | etot = -14.6175140350665 -191000 ekin = 0.261091384545176 | erot = 0.549081610185661 | epot = -15.4276870297757 | etot = -14.6175140350448 -192000 ekin = 0.251308489707993 | erot = 0.555858063434326 | epot = -15.4246805881679 | etot = -14.6175140350256 -193000 ekin = 0.242467771119499 | erot = 0.561433978654792 | epot = -15.4214157847846 | etot = -14.6175140350103 -194000 ekin = 0.234765581624083 | erot = 0.565853352187983 | epot = -15.4181329688119 | etot = -14.6175140349998 -195000 ekin = 0.228310848060933 | erot = 0.569173077812972 | epot = -15.414997960868 | etot = -14.6175140349941 -196000 ekin = 0.223134890549791 | erot = 0.571451208607789 | epot = -15.4121001341501 | etot = -14.6175140349925 -197000 ekin = 0.219209242155479 | erot = 0.572737138234515 | epot = -15.4094604153842 | etot = -14.6175140349942 -198000 ekin = 0.216468062808567 | erot = 0.573064123809139 | epot = -15.4070462216157 | etot = -14.6175140349979 -199000 ekin = 0.214831137522102 | erot = 0.572444258405115 | epot = -15.4047894309295 | etot = -14.6175140350023 -200000 ekin = 0.214223573901692 | erot = 0.570865760664587 | epot = -15.402603369573 | etot = -14.6175140350067 -201000 ekin = 0.214589119166338 | erot = 0.568292309388425 | epot = -15.4003954635655 | etot = -14.6175140350107 -202000 ekin = 0.215895325601886 | erot = 0.564664121435212 | epot = -15.3980734820515 | etot = -14.6175140350144 -203000 ekin = 0.218130347569574 | erot = 0.559900543320399 | epot = -15.3955449259083 | etot = -14.6175140350184 -204000 ekin = 0.221292667473328 | erot = 0.553904074219812 | epot = -15.3927107767163 | etot = -14.6175140350232 -205000 ekin = 0.225376258610291 | erot = 0.546565915590092 | epot = -15.3894562092301 | etot = -14.6175140350297 -206000 ekin = 0.230354397528691 | erot = 0.537773288685112 | epot = -15.3856417212522 | etot = -14.6175140350384 -207000 ekin = 0.236165428414371 | erot = 0.527418806931585 | epot = -15.3810982703949 | etot = -14.617514035049 -208000 ekin = 0.242703261860097 | erot = 0.515412077176746 | epot = -15.3756293740978 | etot = -14.617514035061 -209000 ekin = 0.249814382549771 | erot = 0.501693407692903 | epot = -15.3690218253159 | etot = -14.6175140350732 -210000 ekin = 0.257301864855487 | erot = 0.486249049966596 | epot = -15.3610649499059 | etot = -14.6175140350838 -211000 ekin = 0.264935635394204 | erot = 0.469126912721243 | epot = -15.3515765832063 | etot = -14.6175140350909 -212000 ekin = 0.272467183646431 | erot = 0.450451153648371 | epot = -15.3404323723875 | etot = -14.6175140350927 -213000 ekin = 0.279646306736912 | erot = 0.430433702677772 | epot = -15.3275940445023 | etot = -14.6175140350876 -214000 ekin = 0.286237611276899 | erot = 0.409381288017331 | epot = -15.3131329343688 | etot = -14.6175140350746 -215000 ekin = 0.29203464387293 | erot = 0.387696263733711 | epot = -15.29724494266 | etot = -14.6175140350534 -216000 ekin = 0.296870258153004 | erot = 0.365870567410591 | epot = -15.2802548605881 | etot = -14.6175140350245 -217000 ekin = 0.300622666325324 | erot = 0.344472695101547 | epot = -15.2626093964159 | etot = -14.617514034989 -218000 ekin = 0.303217269541564 | erot = 0.324128407396835 | epot = -15.244859711887 | etot = -14.6175140349486 -219000 ekin = 0.30462484391226 | erot = 0.305496496150474 | epot = -15.2276353749682 | etot = -14.6175140349055 -220000 ekin = 0.304856982074418 | erot = 0.289241221674229 | epot = -15.2116122386105 | etot = -14.6175140348619 -221000 ekin = 0.303959749544728 | erot = 0.276003133760616 | epot = -15.1974769181253 | etot = -14.61751403482 -222000 ekin = 0.302006434071345 | erot = 0.266369862263779 | epot = -15.1858903311172 | etot = -14.6175140347821 -223000 ekin = 0.299090105491099 | erot = 0.260848208952979 | epot = -15.1774523491944 | etot = -14.6175140347503 -224000 ekin = 0.295316503745815 | erot = 0.259838588555865 | epot = -15.172669127028 | etot = -14.6175140347263 -225000 ekin = 0.29079760031813 | erot = 0.263612591734547 | epot = -15.1719242267643 | etot = -14.6175140347116 -226000 ekin = 0.28564610323333 | erot = 0.272294318079248 | epot = -15.1754544560199 | etot = -14.6175140347074 -227000 ekin = 0.279971018689722 | erot = 0.285846075010758 | epot = -15.1833311284149 | etot = -14.6175140347144 -228000 ekin = 0.27387437472819 | erot = 0.304059069119049 | epot = -15.1954474785804 | etot = -14.6175140347332 -229000 ekin = 0.2674491741605 | erot = 0.326549807965654 | epot = -15.2115130168897 | etot = -14.6175140347636 -230000 ekin = 0.260778614119455 | erot = 0.352763004039831 | epot = -15.2310556529641 | etot = -14.6175140348048 -231000 ekin = 0.253936564977397 | erot = 0.381981763344761 | epot = -15.2534323631777 | etot = -14.6175140348555 -232000 ekin = 0.246989230842658 | erot = 0.413345683736738 | epot = -15.2778489494936 | etot = -14.6175140349142 -233000 ekin = 0.239997814735998 | erot = 0.445877135783837 | epot = -15.3033889854983 | etot = -14.6175140349784 -234000 ekin = 0.233021891669953 | erot = 0.478515439398998 | epot = -15.3290513661143 | etot = -14.6175140350454 -235000 ekin = 0.226123071286445 | erot = 0.510157919201484 | epot = -15.3537950255997 | etot = -14.6175140351118 -236000 ekin = 0.21936843695277 | erot = 0.539706010633891 | epot = -15.3765884827611 | etot = -14.6175140351745 -237000 ekin = 0.212833212708602 | erot = 0.566113832023262 | epot = -15.3964610799619 | etot = -14.61751403523 -238000 ekin = 0.206602165162865 | erot = 0.588436180449287 | epot = -15.4125523808878 | etot = -14.6175140352757 -239000 ekin = 0.200769360307748 | erot = 0.605872583258365 | epot = -15.4241559788754 | etot = -14.6175140353093 -240000 ekin = 0.195436190928625 | erot = 0.61780345837781 | epot = -15.4307536846357 | etot = -14.6175140353293 -241000 ekin = 0.190707920284743 | erot = 0.623817360380854 | epot = -15.4320393160006 | etot = -14.617514035335 -242000 ekin = 0.186689132524135 | erot = 0.623726737659666 | epot = -15.4279299055104 | etot = -14.6175140353266 -243000 ekin = 0.183478880874969 | erot = 0.617571857376273 | epot = -15.4185647735561 | etot = -14.6175140353049 -244000 ekin = 0.181166166760206 | erot = 0.605612923712308 | epot = -15.4042931257437 | etot = -14.6175140352712 -245000 ekin = 0.179826690516145 | erot = 0.588311983397642 | epot = -15.3856527091413 | etot = -14.6175140352275 -246000 ekin = 0.179521473345086 | erot = 0.566306329739288 | epot = -15.3633418382601 | etot = -14.6175140351758 -247000 ekin = 0.180297726609514 | erot = 0.540375528723551 | epot = -15.3381872904514 | etot = -14.6175140351183 -248000 ekin = 0.182192022181392 | erot = 0.511404282991666 | epot = -15.3111103402302 | etot = -14.6175140350572 -249000 ekin = 0.185235475059313 | erot = 0.480343275337858 | epot = -15.2830927853916 | etot = -14.6175140349945 -250000 ekin = 0.189460324578832 | erot = 0.448169956262064 | epot = -15.255144315773 | etot = -14.6175140349321 -251000 ekin = 0.19490702001237 | erot = 0.415851007132868 | epot = -15.228272062017 | etot = -14.6175140348717 -252000 ekin = 0.201630699423836 | erot = 0.384307951122289 | epot = -15.2034526853611 | etot = -14.617514034815 -253000 ekin = 0.209705815256177 | erot = 0.354387113740113 | epot = -15.1816069637594 | etot = -14.6175140347631 -254000 ekin = 0.219227629547432 | erot = 0.326834860919775 | epot = -15.1635765251848 | etot = -14.6175140347176 -255000 ekin = 0.230309407957432 | erot = 0.302278768995733 | epot = -15.1501022116327 | etot = -14.6175140346795 -256000 ekin = 0.243074422922267 | erot = 0.281215109558701 | epot = -15.141803567131 | etot = -14.61751403465 -257000 ekin = 0.257642364630153 | erot = 0.264002762946067 | epot = -15.1391591622066 | etot = -14.6175140346304 -258000 ekin = 0.274110461104108 | erot = 0.250863404057697 | epot = -15.1424878997833 | etot = -14.6175140346215 -259000 ekin = 0.292530483429775 | erot = 0.241887528333024 | epot = -15.1519320463872 | etot = -14.6175140346244 -260000 ekin = 0.312883750215128 | erot = 0.237045600991386 | epot = -15.1674433858462 | etot = -14.6175140346397 -261000 ekin = 0.335057071666333 | erot = 0.236203324625284 | epot = -15.1887744309592 | etot = -14.6175140346676 -262000 ekin = 0.358823075933473 | erot = 0.239139750884213 | epot = -15.2154768615253 | etot = -14.6175140347076 -263000 ekin = 0.383828346058996 | erot = 0.245566753569572 | epot = -15.2469091343872 | etot = -14.6175140347587 -264000 ekin = 0.409592161639947 | erot = 0.255148290958814 | epot = -15.2822544874178 | etot = -14.6175140348191 -265000 ekin = 0.435517425640964 | erot = 0.267517972446782 | epot = -15.3205494329741 | etot = -14.6175140348864 -266000 ekin = 0.460913759434661 | erot = 0.282293742227942 | epot = -15.3607215366204 | etot = -14.6175140349578 -267000 ekin = 0.485031075313793 | erot = 0.299088986461059 | epot = -15.4016340968052 | etot = -14.6175140350303 -268000 ekin = 0.50710051747368 | erot = 0.317519986656956 | epot = -15.4421345392314 | etot = -14.6175140351007 -269000 ekin = 0.526378761163555 | erot = 0.33721025800327 | epot = -15.4811030543329 | etot = -14.6175140351661 -270000 ekin = 0.542191399557166 | erot = 0.357792786170323 | epot = -15.5174982209515 | etot = -14.617514035224 -271000 ekin = 0.553971501275297 | erot = 0.378911394713051 | epot = -15.5503969312606 | etot = -14.6175140352722 -272000 ekin = 0.561290243476884 | erot = 0.400222387433604 | epot = -15.5790266662199 | etot = -14.6175140353094 -273000 ekin = 0.563877614617889 | erot = 0.421397250043755 | epot = -15.6027888999963 | etot = -14.6175140353346 -274000 ekin = 0.561632338447609 | erot = 0.442126671655328 | epot = -15.6212730454506 | etot = -14.6175140353477 -275000 ekin = 0.554621238224436 | erot = 0.462125606775396 | epot = -15.6342608803486 | etot = -14.6175140353487 -276000 ekin = 0.543069132887187 | erot = 0.481138682331962 | epot = -15.6417218505579 | etot = -14.6175140353387 -277000 ekin = 0.527340979965694 | erot = 0.498945052082853 | epot = -15.6438000673675 | etot = -14.6175140353189 -278000 ekin = 0.507918337217276 | erot = 0.515361832413196 | epot = -15.6407942049214 | etot = -14.617514035291 -279000 ekin = 0.485372319601914 | erot = 0.530245473601771 | epot = -15.6331318284601 | etot = -14.6175140352564 -280000 ekin = 0.46033511650651 | erot = 0.543490744711146 | epot = -15.6213398964351 | etot = -14.6175140352175 -281000 ekin = 0.433471859960453 | erot = 0.555027349456868 | epot = -15.6060132445935 | etot = -14.6175140351761 -282000 ekin = 0.405454262480505 | erot = 0.564814480007104 | epot = -15.5877827776223 | etot = -14.6175140351347 -283000 ekin = 0.376937038993415 | erot = 0.572833827993335 | epot = -15.5672849020813 | etot = -14.6175140350945 -284000 ekin = 0.348537747962441 | erot = 0.579081711931139 | epot = -15.5451334949501 | etot = -14.6175140350565 -285000 ekin = 0.320820372083179 | erot = 0.583561068647143 | epot = -15.5218954757531 | etot = -14.6175140350227 -286000 ekin = 0.294282726921465 | erot = 0.586274110946605 | epot = -15.4980708728619 | etot = -14.6175140349939 -287000 ekin = 0.269347634013372 | erot = 0.587216475910704 | epot = -15.4740781448946 | etot = -14.6175140349706 -288000 ekin = 0.246357704467567 | erot = 0.586373659773396 | epot = -15.4502453991941 | etot = -14.6175140349531 -289000 ekin = 0.225573522145737 | erot = 0.583720426232575 | epot = -15.4268079833199 | etot = -14.6175140349416 -290000 ekin = 0.207174962818498 | erot = 0.579223657449698 | epot = -15.4039126552032 | etot = -14.617514034935 -291000 ekin = 0.191265313940317 | erot = 0.57284878086397 | epot = -15.3816281297368 | etot = -14.6175140349325 -292000 ekin = 0.177877757396561 | erot = 0.564569470033103 | epot = -15.3599612623625 | etot = -14.6175140349328 -293000 ekin = 0.166983649288562 | erot = 0.55437983768204 | epot = -15.3388775219052 | etot = -14.6175140349346 -294000 ekin = 0.158501898150816 | erot = 0.542307895558416 | epot = -15.3183238286456 | etot = -14.6175140349363 -295000 ekin = 0.152308641379775 | erot = 0.528428741575564 | epot = -15.2982514178919 | etot = -14.6175140349366 -296000 ekin = 0.14824639013426 | erot = 0.512875830575376 | epot = -15.2786362556441 | etot = -14.6175140349344 -297000 ekin = 0.146131889948848 | erot = 0.49584883363365 | epot = -15.2594947585117 | etot = -14.6175140349292 -298000 ekin = 0.145762142540934 | erot = 0.47761697934363 | epot = -15.2408931568053 | etot = -14.6175140349207 -299000 ekin = 0.146918339842692 | erot = 0.458517327974144 | epot = -15.2229497027261 | etot = -14.6175140349093 -300000 ekin = 0.149367830718069 | erot = 0.438948042711649 | epot = -15.2058299083254 | etot = -14.6175140348957 -301000 ekin = 0.152864610234033 | erot = 0.419357266833102 | epot = -15.1897359119478 | etot = -14.6175140348807 -302000 ekin = 0.157149122640169 | erot = 0.400228590597444 | epot = -15.1748917481033 | etot = -14.6175140348656 -303000 ekin = 0.161948347719032 | erot = 0.382064246006851 | epot = -15.1615266285773 | etot = -14.6175140348514 -304000 ekin = 0.166977167327436 | erot = 0.365367110078575 | epot = -15.1498583122451 | etot = -14.6175140348391 -305000 ekin = 0.171941885875871 | erot = 0.350622387001196 | epot = -15.1400783077067 | etot = -14.6175140348296 -306000 ekin = 0.176546522696863 | erot = 0.338279561363742 | epot = -15.1323401188838 | etot = -14.6175140348232 -307000 ekin = 0.180502080572192 | erot = 0.32873493509135 | epot = -15.126751050484 | etot = -14.6175140348205 -308000 ekin = 0.183539117579248 | erot = 0.322315068517915 | epot = -15.1233682209185 | etot = -14.6175140348213 -309000 ekin = 0.18542258916881 | erot = 0.31926113518031 | epot = -15.1221977591748 | etot = -14.6175140348257 -310000 ekin = 0.185968382525478 | erot = 0.319714556777655 | epot = -15.1231969741364 | etot = -14.6175140348332 -311000 ekin = 0.185060444471749 | erot = 0.323704474532897 | epot = -15.1262789538482 | etot = -14.6175140348435 -312000 ekin = 0.182667055699898 | erot = 0.331137883754702 | epot = -15.1313189743107 | etot = -14.6175140348561 -313000 ekin = 0.178854671448117 | erot = 0.341793554574368 | epot = -15.1381622608928 | etot = -14.6175140348703 -314000 ekin = 0.173797674113305 | erot = 0.355321045101964 | epot = -15.1466327541009 | etot = -14.6175140348857 -315000 ekin = 0.167782440685989 | erot = 0.371246117950244 | epot = -15.1565425935376 | etot = -14.6175140349013 -316000 ekin = 0.161204347699333 | erot = 0.388983636698412 | epot = -15.1677020193144 | etot = -14.6175140349166 -317000 ekin = 0.154556738722997 | erot = 0.407858516721222 | epot = -15.179929290375 | etot = -14.6175140349308 -318000 ekin = 0.148411457828014 | erot = 0.427134549771526 | epot = -15.1930600425429 | etot = -14.6175140349434 -319000 ekin = 0.143391260343274 | erot = 0.446049980956587 | epot = -15.2069552762535 | etot = -14.6175140349536 -320000 ekin = 0.140135163879389 | erot = 0.463857713006731 | epot = -15.2215069118477 | etot = -14.6175140349616 -321000 ekin = 0.13925849683082 | erot = 0.47986711734359 | epot = -15.2366396491416 | etot = -14.6175140349672 -322000 ekin = 0.141309963686786 | erot = 0.493483840953745 | epot = -15.2523078396115 | etot = -14.617514034971 -323000 ekin = 0.146728465402049 | erot = 0.504243890594766 | epot = -15.2684863909708 | etot = -14.617514034974 -324000 ekin = 0.155802740978474 | erot = 0.511838753068047 | epot = -15.2851555290241 | etot = -14.6175140349776 -325000 ekin = 0.168637192339758 | erot = 0.516129344219392 | epot = -15.3022805715425 | etot = -14.6175140349833 -326000 ekin = 0.185127492740937 | erot = 0.517147991936341 | epot = -15.3197895196698 | etot = -14.6175140349925 -327000 ekin = 0.204949583925474 | erot = 0.515089155111526 | epot = -15.3375527740431 | etot = -14.6175140350061 -328000 ekin = 0.227565145376632 | erot = 0.510290835144293 | epot = -15.3553700155453 | etot = -14.6175140350243 -329000 ekin = 0.252245305622037 | erot = 0.503209396460715 | epot = -15.372968737129 | etot = -14.6175140350463 -330000 ekin = 0.278112223739082 | erot = 0.494390678506977 | epot = -15.3900169373163 | etot = -14.6175140350702 -331000 ekin = 0.304195517645115 | erot = 0.484439927614521 | epot = -15.4061494803532 | etot = -14.6175140350935 -332000 ekin = 0.329497983392802 | erot = 0.473992405219011 | epot = -15.4210044237255 | etot = -14.6175140351136 -333000 ekin = 0.353063353198636 | erot = 0.463685785195801 | epot = -15.4342631735224 | etot = -14.617514035128 -334000 ekin = 0.374038491016654 | erot = 0.454134842083192 | epot = -15.4456873682344 | etot = -14.6175140351345 -335000 ekin = 0.391723520500355 | erot = 0.445908562625392 | epot = -15.4551461182584 | etot = -14.6175140351326 -336000 ekin = 0.405605581598612 | erot = 0.439509690040415 | epot = -15.4626293067615 | etot = -14.6175140351225 -337000 ekin = 0.415374601838216 | erot = 0.435356764652285 | epot = -15.4682454015957 | etot = -14.6175140351052 -338000 ekin = 0.42092199701013 | erot = 0.433768862195237 | epot = -15.4722048942883 | etot = -14.6175140350829 -339000 ekin = 0.422325110447523 | erot = 0.434953376211998 | epot = -15.4747925217174 | etot = -14.6175140350579 -340000 ekin = 0.419821259880453 | erot = 0.438997304560007 | epot = -15.4763325994732 | etot = -14.6175140350327 -341000 ekin = 0.413775534581149 | erot = 0.445862573585633 | epot = -15.4771521431765 | etot = -14.6175140350097 -342000 ekin = 0.404646174020848 | erot = 0.455385967573857 | epot = -15.4775461765857 | etot = -14.617514034991 -343000 ekin = 0.39295070583281 | erot = 0.467284215126884 | epot = -15.4777489559374 | etot = -14.6175140349777 -344000 ekin = 0.379235231728883 | erot = 0.481164689425934 | epot = -15.4779139561254 | etot = -14.6175140349706 -345000 ekin = 0.364048459933153 | erot = 0.496541967294177 | epot = -15.4781044621969 | etot = -14.6175140349695 -346000 ekin = 0.347921358320316 | erot = 0.512860132815006 | epot = -15.478295526109 | etot = -14.6175140349737 -347000 ekin = 0.331352665808126 | erot = 0.529520204053122 | epot = -15.4783869048429 | etot = -14.6175140349817 -348000 ekin = 0.314799955036566 | erot = 0.545911447469168 | epot = -15.4782254374972 | etot = -14.6175140349915 -349000 ekin = 0.298675493175281 | erot = 0.561444708834092 | epot = -15.4776342370104 | etot = -14.6175140350011 -350000 ekin = 0.283345815520869 | erot = 0.575585348315993 | epot = -15.4764451988451 | etot = -14.6175140350083 -351000 ekin = 0.269133730327523 | erot = 0.587883045339117 | epot = -15.474530810678 | etot = -14.6175140350114 -352000 ekin = 0.256321431305203 | erot = 0.597995738138039 | epot = -15.4718312044524 | etot = -14.6175140350092 -353000 ekin = 0.24515350965437 | erot = 0.605705335206206 | epot = -15.4683728798616 | etot = -14.617514035001 -354000 ekin = 0.235838910986168 | erot = 0.610923562934476 | epot = -15.4642765089078 | etot = -14.6175140349872 -355000 ekin = 0.228551231300269 | erot = 0.613687305425456 | epot = -15.4597525716945 | etot = -14.6175140349688 -356000 ekin = 0.223427131306842 | erot = 0.61414390282459 | epot = -15.4550850690789 | etot = -14.6175140349475 -357000 ekin = 0.220563006917694 | erot = 0.612527933401747 | epot = -15.4506049752447 | etot = -14.6175140349253 -358000 ekin = 0.22001033319751 | erot = 0.60913185554411 | epot = -15.4466562236463 | etot = -14.6175140349046 -359000 ekin = 0.221770268739896 | erot = 0.604273418957587 | epot = -15.4435577225855 | etot = -14.617514034888 -360000 ekin = 0.225788163653238 | erot = 0.598262925571301 | epot = -15.4415651241022 | etot = -14.6175140348777 -361000 ekin = 0.231948578437327 | erot = 0.591373251984918 | epot = -15.4408358652977 | etot = -14.6175140348754 -362000 ekin = 0.240071331017989 | erot = 0.583815109039703 | epot = -15.4414004749403 | etot = -14.6175140348826 -363000 ekin = 0.249908988057725 | erot = 0.5757194066129 | epot = -15.4431424295705 | etot = -14.6175140348999 -364000 ekin = 0.261146140581906 | erot = 0.567127906486804 | epot = -15.445788081996 | etot = -14.6175140349273 -365000 ekin = 0.273400773645715 | erot = 0.55799265360587 | epot = -15.4489074622158 | etot = -14.6175140349642 -366000 ekin = 0.286228056503678 | erot = 0.548184015759183 | epot = -15.4519261072721 | etot = -14.6175140350092 -367000 ekin = 0.299126926925909 | erot = 0.537506547612528 | epot = -15.454147509599 | etot = -14.6175140350606 -368000 ekin = 0.311549892638302 | erot = 0.525721330953642 | epot = -15.4547852587076 | etot = -14.6175140351156 -369000 ekin = 0.32291649334207 | erot = 0.512572942756027 | epot = -15.4530034712696 | etot = -14.6175140351715 -370000 ekin = 0.332630833323927 | erot = 0.497818805483382 | epot = -15.4479636740324 | etot = -14.6175140352251 -371000 ekin = 0.340103492446064 | erot = 0.481258447418256 | epot = -15.4388759751374 | etot = -14.617514035273 -372000 ekin = 0.344777943663672 | erot = 0.462760223985855 | epot = -15.4250522029614 | etot = -14.6175140353119 -373000 ekin = 0.346161332161602 | erot = 0.442283380419715 | epot = -15.4059587479198 | etot = -14.6175140353385 -374000 ekin = 0.343859062980226 | erot = 0.419893962768359 | epot = -15.3812670610984 | etot = -14.6175140353498 -375000 ekin = 0.337612023151089 | erot = 0.395773904237503 | epot = -15.3508999627316 | etot = -14.617514035343 -376000 ekin = 0.327334336193297 | erot = 0.370223433837585 | epot = -15.3150718053467 | etot = -14.6175140353159 -377000 ekin = 0.31314826371265 | erot = 0.343657545338067 | epot = -15.2743198443178 | etot = -14.6175140352671 -378000 ekin = 0.295411338277465 | erot = 0.316597454538877 | epot = -15.2295228280127 | etot = -14.6175140351964 -379000 ekin = 0.274729408510311 | erot = 0.289657740940239 | epot = -15.1819011845556 | etot = -14.6175140351051 -380000 ekin = 0.251948675267255 | erot = 0.263529414055484 | epot = -15.1329921243191 | etot = -14.6175140349963 -381000 ekin = 0.228120837035106 | erot = 0.238958749468258 | epot = -15.0845936213795 | etot = -14.6175140348762 -382000 ekin = 0.204438854506711 | erot = 0.21672127051921 | epot = -15.0386741597778 | etot = -14.6175140347519 -383000 ekin = 0.182146263755408 | erot = 0.197591880984099 | epot = -14.9972521793719 | etot = -14.6175140346324 -384000 ekin = 0.162429780679591 | erot = 0.182311896923862 | epot = -14.9622557121303 | etot = -14.6175140345269 -385000 ekin = 0.14631062212392 | erot = 0.171555128910903 | epot = -14.9353797854787 | etot = -14.6175140344438 -386000 ekin = 0.134552389652504 | erot = 0.165895597224072 | epot = -14.9179620212652 | etot = -14.6175140343886 -387000 ekin = 0.127600986328474 | erot = 0.165779213533691 | epot = -14.9108942342261 | etot = -14.6175140343639 -388000 ekin = 0.125565151523057 | erot = 0.171500950984465 | epot = -14.9145801368767 | etot = -14.6175140343691 -389000 ekin = 0.128237001096924 | erot = 0.183188026636153 | epot = -14.9289390621345 | etot = -14.6175140344014 -390000 ekin = 0.135143637923019 | erot = 0.200788930663243 | epot = -14.953446603043 | etot = -14.6175140344567 -391000 ekin = 0.145616156499687 | erot = 0.224068074688667 | epot = -14.9871982657189 | etot = -14.6175140345306 -392000 ekin = 0.158862235246419 | erot = 0.252606362172197 | epot = -15.028982632037 | etot = -14.6175140346184 -393000 ekin = 0.174032087603182 | erot = 0.285808726840173 | epot = -15.0773548491589 | etot = -14.6175140347155 -394000 ekin = 0.190272707003279 | erot = 0.32292010751355 | epot = -15.130706849335 | etot = -14.6175140348181 -395000 ekin = 0.206769905101682 | erot = 0.363051013228993 | epot = -15.1873349532528 | etot = -14.6175140349222 -396000 ekin = 0.222780272469837 | erot = 0.405212687948367 | epot = -15.2455069954416 | etot = -14.6175140350234 -397000 ekin = 0.237655698718666 | erot = 0.448360183483368 | epot = -15.3035299173201 | etot = -14.6175140351181 -398000 ekin = 0.250862154069819 | erot = 0.491439914330298 | epot = -15.3598161036023 | etot = -14.6175140352022 -399000 ekin = 0.261993055953367 | erot = 0.533437059171161 | epot = -15.4129441503973 | etot = -14.6175140352727 -400000 ekin = 0.27077655050685 | erot = 0.573417887950022 | epot = -15.4617084737844 | etot = -14.6175140353276 -401000 ekin = 0.277075831015552 | erot = 0.610562842824378 | epot = -15.505152709206 | etot = -14.6175140353661 -402000 ekin = 0.280882158891387 | erot = 0.644187798759806 | epot = -15.5425839930396 | etot = -14.6175140353885 -403000 ekin = 0.282301228578668 | erot = 0.673752968642337 | epot = -15.5735682326172 | etot = -14.6175140353962 -404000 ekin = 0.281534519811851 | erot = 0.698860907482421 | epot = -15.5979094626856 | etot = -14.6175140353913 -405000 ekin = 0.278857975736577 | erot = 0.719246574878491 | epot = -15.6156185859914 | etot = -14.6175140353763 -406000 ekin = 0.27460055575904 | erot = 0.734763157396981 | epot = -15.6268777485092 | etot = -14.6175140353531 -407000 ekin = 0.269124923358191 | erot = 0.745367259285135 | epot = -15.632006217967 | etot = -14.6175140353237 -408000 ekin = 0.262811853165513 | erot = 0.75110627666519 | epot = -15.6314321651198 | etot = -14.6175140352891 -409000 ekin = 0.256049112192014 | erot = 0.752109968276038 | epot = -15.6256731157183 | etot = -14.6175140352503 -410000 ekin = 0.249224269809724 | erot = 0.748584332259421 | epot = -15.6153226372766 | etot = -14.6175140352074 -411000 ekin = 0.242720888553515 | erot = 0.74080910391814 | epot = -15.6010440276324 | etot = -14.6175140351607 -412000 ekin = 0.236916379506249 | erot = 0.729136085380527 | epot = -15.5835664999973 | etot = -14.6175140351105 -413000 ekin = 0.232179735243875 | erot = 0.713985498456682 | epot = -15.5636792687578 | etot = -14.6175140350572 -414000 ekin = 0.228867632642529 | erot = 0.695838652585608 | epot = -15.5422203202303 | etot = -14.6175140350022 -415000 ekin = 0.227317772308198 | erot = 0.675225695396014 | epot = -15.5200575026511 | etot = -14.6175140349469 -416000 ekin = 0.227838940778005 | erot = 0.65270826110506 | epot = -15.4980612367768 | etot = -14.6175140348937 -417000 ekin = 0.23069797086734 | erot = 0.628857925336074 | epot = -15.4770699310485 | etot = -14.6175140348451 -418000 ekin = 0.236104416121177 | erot = 0.604232291329939 | epot = -15.4578507422545 | etot = -14.6175140348034 -419000 ekin = 0.244194252200936 | erot = 0.579351108945467 | epot = -15.4410593959176 | etot = -14.6175140347712 -420000 ekin = 0.255014214169025 | erot = 0.554674986841681 | epot = -15.427203235761 | etot = -14.6175140347503 -421000 ekin = 0.268508458340867 | erot = 0.530589008737006 | epot = -15.4166115018197 | etot = -14.6175140347419 -422000 ekin = 0.284509119561056 | erot = 0.507392982381358 | epot = -15.4094161366888 | etot = -14.6175140347464 -423000 ekin = 0.302732060427453 | erot = 0.485299248119848 | epot = -15.4055453433108 | etot = -14.6175140347635 -424000 ekin = 0.322778728051846 | erot = 0.464438075671392 | epot = -15.4047308385151 | etot = -14.6175140347918 -425000 ekin = 0.344144594922978 | erot = 0.444869796713037 | epot = -15.4065284264654 | etot = -14.6175140348294 -426000 ekin = 0.366234204300236 | erot = 0.426602052984558 | epot = -15.4103502921584 | etot = -14.6175140348736 -427000 ekin = 0.388382398339839 | erot = 0.409609962240785 | epot = -15.4155063955021 | etot = -14.6175140349215 -428000 ekin = 0.409880900047347 | erot = 0.393856678092514 | epot = -15.4212516131098 | etot = -14.61751403497 -429000 ekin = 0.430009061106081 | erot = 0.379311788382045 | epot = -15.4268348845042 | etot = -14.617514035016 -430000 ekin = 0.448067283635938 | erot = 0.365965282400769 | epot = -15.4315466010937 | etot = -14.617514035057 -431000 ekin = 0.463411378722709 | erot = 0.353835411175237 | epot = -15.4347608249887 | etot = -14.6175140350907 -432000 ekin = 0.47548594153415 | erot = 0.342969616703567 | epot = -15.4359695933534 | etot = -14.6175140351157 -433000 ekin = 0.483854704019995 | erot = 0.333438714396017 | epot = -15.4348074535468 | etot = -14.6175140351308 -434000 ekin = 0.488225698517989 | erot = 0.325325491781988 | epot = -15.4310652254358 | etot = -14.6175140351358 -435000 ekin = 0.488469615216989 | erot = 0.318709988965469 | epot = -15.4246936393136 | etot = -14.6175140351312 -436000 ekin = 0.48462910079659 | erot = 0.313653867974335 | epot = -15.4157970038886 | etot = -14.6175140351176 -437000 ekin = 0.476917712283315 | erot = 0.310186654190433 | epot = -15.4046184015705 | etot = -14.6175140350967 -438000 ekin = 0.465707830234525 | erot = 0.308296241622533 | epot = -15.3915181069269 | etot = -14.6175140350699 -439000 ekin = 0.451507536799582 | erot = 0.307925153770196 | epot = -15.376946725609 | etot = -14.6175140350392 -440000 ekin = 0.434927659012326 | erot = 0.308973010492473 | epot = -15.3614147045113 | etot = -14.6175140350065 -441000 ekin = 0.416641657348227 | erot = 0.311304747383323 | epot = -15.3454604397054 | etot = -14.6175140349739 -442000 ekin = 0.397341542599983 | erot = 0.3147626187362 | epot = -15.3296181962795 | etot = -14.6175140349433 -443000 ekin = 0.377694362714098 | erot = 0.319179725729427 | epot = -15.3143881233596 | etot = -14.6175140349161 -444000 ekin = 0.358304425135514 | erot = 0.324393298190365 | epot = -15.3002117582193 | etot = -14.6175140348935 -445000 ekin = 0.339684383333994 | erot = 0.330254911560057 | epot = -15.2874533297702 | etot = -14.6175140348761 -446000 ekin = 0.322237701350787 | erot = 0.336636009508874 | epot = -15.276387745724 | etot = -14.6175140348643 -447000 ekin = 0.306253086582787 | erot = 0.343428242758822 | epot = -15.2671953641996 | etot = -14.617514034858 -448000 ekin = 0.291909091343146 | erot = 0.350538602021414 | epot = -15.2599617282214 | etot = -14.6175140348569 -449000 ekin = 0.279285717663623 | erot = 0.35788026308961 | epot = -15.2546800156141 | etot = -14.6175140348608 -450000 ekin = 0.268379332693062 | erot = 0.365360767817965 | epot = -15.2512541353807 | etot = -14.6175140348697 -451000 ekin = 0.259117719162389 | erot = 0.372869677561009 | epot = -15.2495014316067 | etot = -14.6175140348833 -452000 ekin = 0.251373384973236 | erot = 0.380268095671436 | epot = -15.2491555155464 | etot = -14.6175140349017 -453000 ekin = 0.244974824127414 | erot = 0.387382402365197 | epot = -15.249871261417 | etot = -14.6175140349243 -454000 ekin = 0.239716691076083 | erot = 0.39400413186188 | epot = -15.2512348578882 | etot = -14.6175140349502 -455000 ekin = 0.235370413814051 | erot = 0.399897145642462 | epot = -15.2527815944342 | etot = -14.6175140349777 -456000 ekin = 0.231696513790449 | erot = 0.40481218842498 | epot = -15.2540227372201 | etot = -14.6175140350047 -457000 ekin = 0.228459014431981 | erot = 0.40850770951526 | epot = -15.2544807589758 | etot = -14.6175140350286 -458000 ekin = 0.225441196082345 | erot = 0.410774705624049 | epot = -15.2537299367533 | etot = -14.6175140350469 -459000 ekin = 0.222461018940529 | erot = 0.411462514811891 | epot = -15.2514375688097 | etot = -14.6175140350572 -460000 ekin = 0.219384094438522 | erot = 0.410502136529 | epot = -15.2474002660254 | etot = -14.6175140350579 -461000 ekin = 0.216132245240083 | erot = 0.40792384413244 | epot = -15.2415701244207 | etot = -14.6175140350482 -462000 ekin = 0.212686361973293 | erot = 0.403866554423589 | epot = -15.2340669514251 | etot = -14.6175140350283 -463000 ekin = 0.209083218482802 | erot = 0.398577486489706 | epot = -15.2251747399718 | etot = -14.6175140349993 -464000 ekin = 0.205406888263705 | erot = 0.392401883856904 | epot = -15.2153228070839 | etot = -14.6175140349633 -465000 ekin = 0.201776197881055 | erot = 0.385763783461981 | epot = -15.205054016266 | etot = -14.617514034923 -466000 ekin = 0.198330130961163 | erot = 0.379139817336875 | epot = -15.1949839831792 | etot = -14.6175140348812 -467000 ekin = 0.195213224017084 | erot = 0.373028711257248 | epot = -15.1857559701149 | etot = -14.6175140348406 -468000 ekin = 0.192562810062079 | erot = 0.367919448414624 | epot = -15.1779962932805 | etot = -14.6175140348038 -469000 ekin = 0.190499545154634 | erot = 0.364261004085315 | epot = -15.1722745840127 | etot = -14.6175140347728 -470000 ekin = 0.189122086032537 | erot = 0.362436180586744 | epot = -15.1690723013681 | etot = -14.6175140347488 -471000 ekin = 0.188506156938585 | erot = 0.362741456207124 | epot = -15.1687616478783 | etot = -14.6175140347325 -472000 ekin = 0.188707621222025 | erot = 0.365373993438314 | epot = -15.1715956493842 | etot = -14.6175140347239 -473000 ekin = 0.189768618621823 | erot = 0.370426120543997 | epot = -15.1777087738881 | etot = -14.6175140347222 -474000 ekin = 0.191725397341228 | erot = 0.377886798112909 | epot = -15.1871262301805 | etot = -14.6175140347264 -475000 ekin = 0.194616213070748 | erot = 0.387648901412907 | epot = -15.1997791492191 | etot = -14.6175140347355 -476000 ekin = 0.19848763616064 | erot = 0.39952067815615 | epot = -15.2155223490651 | etot = -14.6175140347483 -477000 ekin = 0.203397790429832 | erot = 0.413239540255182 | epot = -15.2341513654491 | etot = -14.6175140347641 -478000 ekin = 0.209415519783212 | erot = 0.428486466927375 | epot = -15.2554160214929 | etot = -14.6175140347823 -479000 ekin = 0.216615156594683 | erot = 0.444899686772466 | epot = -15.2790288781699 | etot = -14.6175140348028 -480000 ekin = 0.225067223157677 | erot = 0.462086880018489 | epot = -15.3046681380017 | etot = -14.6175140348255 -481000 ekin = 0.234826185147703 | erot = 0.479635803739713 | epot = -15.3319760237384 | etot = -14.617514034851 -482000 ekin = 0.245916939355107 | erot = 0.497123799838186 | epot = -15.3605547740726 | etot = -14.6175140348793 -483000 ekin = 0.258322039580648 | erot = 0.514126984881418 | epot = -15.3899630593725 | etot = -14.6175140349104 -484000 ekin = 0.27197166705463 | erot = 0.530229960568927 | epot = -15.4197156625676 | etot = -14.6175140349441 -485000 ekin = 0.286738030809397 | erot = 0.545036619609846 | epot = -15.4492886853987 | etot = -14.6175140349795 -486000 ekin = 0.302435294441744 | erot = 0.55818212519067 | epot = -15.4781314546478 | etot = -14.6175140350154 -487000 ekin = 0.31882536985775 | erot = 0.569345540302742 | epot = -15.5056849452109 | etot = -14.6175140350504 -488000 ekin = 0.33562912085568 | erot = 0.578262027782569 | epot = -15.531405183721 | etot = -14.6175140350828 -489000 ekin = 0.352541803824768 | erot = 0.584733173542191 | epot = -15.5547890124778 | etot = -14.6175140351108 -490000 ekin = 0.369251041132819 | erot = 0.588633902375943 | epot = -15.575398978642 | etot = -14.6175140351332 -491000 ekin = 0.38545533994301 | erot = 0.589914693969638 | epot = -15.5928840690618 | etot = -14.6175140351491 -492000 ekin = 0.400881156477994 | erot = 0.588598334680196 | epot = -15.6069935263164 | etot = -14.6175140351582 -493000 ekin = 0.41529674637658 | erot = 0.584771169136983 | epot = -15.6175819506742 | etot = -14.6175140351607 -494000 ekin = 0.42852150310201 | erot = 0.578569614095072 | epot = -15.6246051523544 | etot = -14.6175140351573 -495000 ekin = 0.440430011857935 | erot = 0.570163426567811 | epot = -15.6281074735753 | etot = -14.6175140351496 -496000 ekin = 0.45095070631601 | erot = 0.559737766476832 | epot = -15.6282025079316 | etot = -14.6175140351387 -497000 ekin = 0.460059581797609 | erot = 0.547476355485017 | epot = -15.6250499724091 | etot = -14.6175140351264 -498000 ekin = 0.467769906491902 | erot = 0.533547985554597 | epot = -15.6188319271606 | etot = -14.6175140351141 -499000 ekin = 0.474119221072851 | erot = 0.51809827733209 | epot = -15.6097315335077 | etot = -14.6175140351027 -500000 ekin = 0.47915510663515 | erot = 0.501247978936972 | epot = -15.5979171206651 | etot = -14.617514035093 -501000 ekin = 0.482921233339145 | erot = 0.48309830408219 | epot = -15.5835335725062 | etot = -14.6175140350848 -502000 ekin = 0.485445093649468 | erot = 0.463742920559152 | epot = -15.5667020492864 | etot = -14.6175140350778 -503000 ekin = 0.486728599210218 | erot = 0.443285305605287 | epot = -15.5475279398865 | etot = -14.617514035071 -504000 ekin = 0.486742408088666 | erot = 0.421859374631512 | epot = -15.5261158177833 | etot = -14.6175140350632 -505000 ekin = 0.485424480828576 | erot = 0.399650657767878 | epot = -15.5025891736495 | etot = -14.617514035053 -506000 ekin = 0.482682973412862 | erot = 0.376914939267073 | epot = -15.4771119477192 | etot = -14.6175140350392 -507000 ekin = 0.478403198155678 | erot = 0.353991273960951 | epot = -15.4499085071374 | etot = -14.6175140350208 -508000 ekin = 0.472458052936543 | erot = 0.331306710133899 | epot = -15.4212787980677 | etot = -14.6175140349973 -509000 ekin = 0.464721062856492 | erot = 0.309370883447797 | epot = -15.3916059812731 | etot = -14.6175140349688 -510000 ekin = 0.455081004105159 | erot = 0.288759823578861 | epot = -15.3613548626198 | etot = -14.6175140349358 -511000 ekin = 0.443456979181393 | erot = 0.270089690707588 | epot = -15.3310607047887 | etot = -14.6175140348997 -512000 ekin = 0.42981284822046 | erot = 0.253982534898902 | epot = -15.3013094179813 | etot = -14.6175140348619 -513000 ekin = 0.414169942619743 | erot = 0.241027258547542 | epot = -15.2727112359918 | etot = -14.6175140348246 -514000 ekin = 0.396617122320061 | erot = 0.231739657368506 | epot = -15.2458708144779 | etot = -14.6175140347893 -515000 ekin = 0.377317407139222 | erot = 0.226525548757325 | epot = -15.2213569906545 | etot = -14.6175140347579 -516000 ekin = 0.356510629533878 | erot = 0.225650587239722 | epot = -15.1996752515054 | etot = -14.6175140347318 -517000 ekin = 0.334511811731657 | erot = 0.2292195098864 | epot = -15.1812453563299 | etot = -14.6175140347119 -518000 ekin = 0.311705249159968 | erot = 0.237166415926506 | epot = -15.1663856997852 | etot = -14.6175140346987 -519000 ekin = 0.288534562405324 | erot = 0.249256456193412 | epot = -15.1553050532911 | etot = -14.6175140346924 -520000 ekin = 0.265489234982117 | erot = 0.265098165450665 | epot = -15.1481014351253 | etot = -14.6175140346926 -521000 ekin = 0.243088358087376 | erot = 0.28416474515935 | epot = -15.1447671379453 | etot = -14.6175140346986 -522000 ekin = 0.221862437060409 | erot = 0.305821970139557 | epot = -15.1451984419098 | etot = -14.6175140347099 -523000 ekin = 0.202334169775844 | erot = 0.329360070796281 | epot = -15.1492082752976 | etot = -14.6175140347255 -524000 ekin = 0.18499909107587 | erot = 0.354026911469942 | epot = -15.1565400372904 | etot = -14.6175140347446 -525000 ekin = 0.170306912739125 | erot = 0.379059948770509 | epot = -15.1668808962761 | etot = -14.6175140347665 -526000 ekin = 0.158644243148338 | erot = 0.403715126924459 | epot = -15.1798734048633 | etot = -14.6175140347905 -527000 ekin = 0.150319367666652 | erot = 0.427291025811595 | epot = -15.1951244282948 | etot = -14.6175140348166 -528000 ekin = 0.145549592055536 | erot = 0.449147424932796 | epot = -15.2122110518326 | etot = -14.6175140348442 -529000 ekin = 0.144451603985221 | erot = 0.468718121850073 | epot = -15.2306837607087 | etot = -14.6175140348734 -530000 ekin = 0.14703526713895 | erot = 0.485518371010905 | epot = -15.2500676730542 | etot = -14.6175140349043 -531000 ekin = 0.153201203685084 | erot = 0.499147835496798 | epot = -15.2698630741185 | etot = -14.6175140349366 -532000 ekin = 0.162742448480689 | erot = 0.509290301682419 | epot = -15.2895467851334 | etot = -14.6175140349703 -533000 ekin = 0.175350354883052 | erot = 0.515711587206659 | epot = -15.3085759770945 | etot = -14.6175140350048 -534000 ekin = 0.190624856014791 | erot = 0.518257146630773 | epot = -15.3263960376849 | etot = -14.6175140350393 -535000 ekin = 0.2080884935382 | erot = 0.516850140105121 | epot = -15.342452668716 | etot = -14.6175140350727 -536000 ekin = 0.227204325844129 | erot = 0.511491240066285 | epot = -15.356209601014 | etot = -14.6175140351035 -537000 ekin = 0.247396768814447 | erot = 0.502260311074919 | epot = -15.3671711150196 | etot = -14.6175140351302 -538000 ekin = 0.268074342414832 | erot = 0.489319600962367 | epot = -15.374907978528 | etot = -14.6175140351508 -539000 ekin = 0.288653182934819 | erot = 0.472917679673217 | epot = -15.3790848977717 | etot = -14.6175140351637 -540000 ekin = 0.308579985827036 | erot = 0.453392904740712 | epot = -15.3794869257353 | etot = -14.6175140351676 -541000 ekin = 0.32735300819234 | erot = 0.431174973012169 | epot = -15.3760420163656 | etot = -14.6175140351611 -542000 ekin = 0.344539853507862 | erot = 0.406783142890278 | epot = -15.368837031542 | etot = -14.6175140351439 -543000 ekin = 0.359790986514659 | erot = 0.380819988065077 | epot = -15.3581250096959 | etot = -14.6175140351161 -544000 ekin = 0.372848263091261 | erot = 0.353960030673725 | epot = -15.3443223288437 | etot = -14.6175140350787 -545000 ekin = 0.383548167009949 | erot = 0.326933212483018 | epot = -15.3279954145262 | etot = -14.6175140350332 -546000 ekin = 0.391819867385597 | erot = 0.30050378423916 | epot = -15.3098376866063 | etot = -14.6175140349815 -547000 ekin = 0.397678590181961 | erot = 0.275445713888184 | epot = -15.2906383389964 | etot = -14.6175140349263 -548000 ekin = 0.401215088504123 | erot = 0.252516050367 | epot = -15.2712451737411 | etot = -14.6175140348699 -549000 ekin = 0.402582175511822 | erot = 0.232427794768509 | epot = -15.2525240050958 | etot = -14.6175140348155 -550000 ekin = 0.401979352686767 | erot = 0.215823740833757 | epot = -15.2353171282858 | etot = -14.6175140347652 -551000 ekin = 0.399636550192594 | erot = 0.203252510910356 | epot = -15.2204030958242 | etot = -14.6175140347213 -552000 ekin = 0.39579793483933 | erot = 0.19514771457426 | epot = -15.2084596840996 | etot = -14.617514034686 -553000 ekin = 0.390706676474511 | erot = 0.191810879117678 | epot = -15.2000315902533 | etot = -14.6175140346611 -554000 ekin = 0.384591526956334 | erot = 0.193398609454572 | epot = -15.1955041710586 | etot = -14.6175140346477 -555000 ekin = 0.37765606833088 | erot = 0.19991436289407 | epot = -15.1950844658717 | etot = -14.6175140346467 -556000 ekin = 0.370071512613894 | erot = 0.211205266307038 | epot = -15.1987908135787 | etot = -14.6175140346578 -557000 ekin = 0.361973939271072 | erot = 0.22696451510277 | epot = -15.2064524890543 | etot = -14.6175140346805 -558000 ekin = 0.353466765019157 | erot = 0.246739996101886 | epot = -15.2177207958342 | etot = -14.6175140347132 -559000 ekin = 0.344628961763677 | erot = 0.269949765670226 | epot = -15.2320927621875 | etot = -14.6175140347536 -560000 ekin = 0.335528980566657 | erot = 0.295904778795777 | epot = -15.2489477941611 | etot = -14.6175140347987 -561000 ekin = 0.326243446080443 | erot = 0.323838714908469 | epot = -15.2675961958334 | etot = -14.6175140348445 -562000 ekin = 0.31687848681263 | erot = 0.35294385755285 | epot = -15.2873363792525 | etot = -14.617514034887 -563000 ekin = 0.307590234581101 | erot = 0.382410843957197 | epot = -15.3075151134611 | etot = -14.6175140349228 -564000 ekin = 0.298599911427017 | erot = 0.411468934029061 | epot = -15.3275828804049 | etot = -14.6175140349488 -565000 ekin = 0.290198521501092 | erot = 0.439422606477171 | epot = -15.3471351629423 | etot = -14.617514034964 -566000 ekin = 0.282736992095573 | erot = 0.46568015891933 | epot = -15.365931185984 | etot = -14.6175140349691 -567000 ekin = 0.276599956454062 | erot = 0.489770841522339 | epot = -15.3838848329429 | etot = -14.6175140349665 -568000 ekin = 0.272165052790826 | erot = 0.511348887820125 | epot = -15.4010279755712 | etot = -14.6175140349602 -569000 ekin = 0.269753809413461 | erot = 0.530185258476706 | epot = -15.4174531028449 | etot = -14.6175140349547 -570000 ekin = 0.269583567607582 | erot = 0.546150320474166 | epot = -15.4332479230358 | etot = -14.617514034954 -571000 ekin = 0.271731068578169 | erot = 0.559192265325146 | epot = -15.4484373688639 | etot = -14.6175140349606 -572000 ekin = 0.27611649568743 | erot = 0.569316321633573 | epot = -15.4629468522957 | etot = -14.6175140349747 -573000 ekin = 0.282512256444883 | erot = 0.576569321997748 | epot = -15.4765956134373 | etot = -14.6175140349947 -574000 ekin = 0.290574483947772 | erot = 0.581030490761115 | epot = -15.4891190097262 | etot = -14.6175140350173 -575000 ekin = 0.299890113326873 | erot = 0.582808418137228 | epot = -15.5002125665028 | etot = -14.6175140350387 -576000 ekin = 0.310029076131071 | erot = 0.582041678954515 | epot = -15.5095847901411 | etot = -14.6175140350555 -577000 ekin = 0.320591144135804 | erot = 0.578899817193121 | epot = -15.5170049963945 | etot = -14.6175140350656 -578000 ekin = 0.331239680817777 | erot = 0.573581904321184 | epot = -15.5223356202071 | etot = -14.6175140350681 -579000 ekin = 0.341718767395671 | erot = 0.566311213814667 | epot = -15.5255440162741 | etot = -14.6175140350637 -580000 ekin = 0.351854361646072 | erot = 0.557326170820678 | epot = -15.5266945675208 | etot = -14.6175140350541 -581000 ekin = 0.361543170719775 | erot = 0.54686904311153 | epot = -15.5259262488726 | etot = -14.6175140350413 -582000 ekin = 0.370734291431498 | erot = 0.535174473618245 | epot = -15.5234228000773 | etot = -14.6175140350275 -583000 ekin = 0.37940854514609 | erot = 0.522459863754552 | epot = -15.5193824439152 | etot = -14.6175140350145 -584000 ekin = 0.38755933833177 | erot = 0.50891899994006 | epot = -15.5139923732754 | etot = -14.6175140350036 -585000 ekin = 0.395177418309126 | erot = 0.494719483695348 | epot = -15.5074109369997 | etot = -14.6175140349952 -586000 ekin = 0.402240533516271 | erot = 0.480003760425467 | epot = -15.4997583289313 | etot = -14.6175140349896 -587000 ekin = 0.408707997144929 | erot = 0.464893014295021 | epot = -15.4911150464262 | etot = -14.6175140349863 -588000 ekin = 0.414519545772604 | erot = 0.449492951761529 | epot = -15.4815265325189 | etot = -14.6175140349848 -589000 ekin = 0.419597612554971 | erot = 0.433900487906506 | epot = -15.4710121354457 | etot = -14.6175140349842 -590000 ekin = 0.423852083806182 | erot = 0.418210489544302 | epot = -15.4595766083342 | etot = -14.6175140349837 -591000 ekin = 0.42718667151707 | erot = 0.402521929659384 | epot = -15.4472226361591 | etot = -14.6175140349827 -592000 ekin = 0.429506137373247 | erot = 0.386943005730352 | epot = -15.4339631780839 | etot = -14.6175140349803 -593000 ekin = 0.430723706116147 | erot = 0.371594936610811 | epot = -15.4198326777029 | etot = -14.617514034976 -594000 ekin = 0.430768094953345 | erot = 0.356614269838259 | epot = -15.4048963997609 | etot = -14.6175140349693 -595000 ekin = 0.429589664829847 | erot = 0.342153609171636 | epot = -15.3892573089616 | etot = -14.6175140349601 -596000 ekin = 0.427165296133148 | erot = 0.328380718542492 | epot = -15.3730600496239 | etot = -14.6175140349483 -597000 ekin = 0.42350165849966 | erot = 0.315475989403582 | epot = -15.3564916828373 | etot = -14.6175140349341 -598000 ekin = 0.418636501255305 | erot = 0.303628359581859 | epot = -15.339778895755 | etot = -14.6175140349179 -599000 ekin = 0.412638207582272 | erot = 0.293029673723798 | epot = -15.3231819162063 | etot = -14.6175140349002 -600000 ekin = 0.405603414753522 | erot = 0.28386763722636 | epot = -15.3069850868619 | etot = -14.617514034882 -601000 ekin = 0.397652939448492 | erot = 0.276317573361084 | epot = -15.2914845476736 | etot = -14.617514034864 -602000 ekin = 0.388926339151588 | erot = 0.270533300128844 | epot = -15.2769736741277 | etot = -14.6175140348473 -603000 ekin = 0.379575547710976 | erot = 0.266637582798786 | epot = -15.2637271653425 | etot = -14.6175140348328 -604000 ekin = 0.369758112224373 | erot = 0.264712769809576 | epot = -15.2519849168554 | etot = -14.6175140348215 -605000 ekin = 0.35963061496451 | erot = 0.264792359550224 | epot = -15.2419370093288 | etot = -14.6175140348141 -606000 ekin = 0.349342882571248 | erot = 0.266854337886836 | epot = -15.2337112552692 | etot = -14.6175140348112 -607000 ekin = 0.339033558751512 | erot = 0.270817131627415 | epot = -15.2273647251918 | etot = -14.6175140348128 -608000 ekin = 0.32882753825937 | erot = 0.276538908097057 | epot = -15.2228804811754 | etot = -14.617514034819 -609000 ekin = 0.318835621087622 | erot = 0.283820700144174 | epot = -15.2201703560608 | etot = -14.617514034829 -610000 ekin = 0.309156542568317 | erot = 0.292413461055651 | epot = -15.219084038466 | etot = -14.617514034842 -611000 ekin = 0.299881272108214 | erot = 0.302028697869802 | epot = -15.2194240048347 | etot = -14.6175140348566 -612000 ekin = 0.291099167856268 | erot = 0.312351863789569 | epot = -15.2209650665173 | etot = -14.6175140348715 -613000 ekin = 0.282905257831642 | erot = 0.323057294042038 | epot = -15.2234765867589 | etot = -14.6175140348852 -614000 ekin = 0.275407632339941 | erot = 0.333823223652897 | epot = -15.2267448908892 | etot = -14.6175140348963 -615000 ekin = 0.26873372556727 | erot = 0.344345386320857 | epot = -15.2305931467922 | etot = -14.6175140349041 -616000 ekin = 0.263034181136603 | erot = 0.354347879927045 | epot = -15.2348960959716 | etot = -14.617514034908 -617000 ekin = 0.258483071857928 | erot = 0.363590372787296 | epot = -15.2395874795532 | etot = -14.617514034908 -618000 ekin = 0.255273496413749 | erot = 0.371871254538884 | epot = -15.2446587858574 | etot = -14.6175140349047 -619000 ekin = 0.253608004174875 | erot = 0.379026921287401 | epot = -15.2501489603618 | etot = -14.6175140348996 -620000 ekin = 0.253683881422301 | erot = 0.384927934514049 | epot = -15.2561258508302 | etot = -14.6175140348939 -621000 ekin = 0.255674023710173 | erot = 0.389473226072584 | epot = -15.2626612846724 | etot = -14.6175140348896 -622000 ekin = 0.25970485336799 | erot = 0.392583779640473 | epot = -15.269802667897 | etot = -14.6175140348886 -623000 ekin = 0.265833429999859 | erot = 0.394197274406549 | epot = -15.2775447392987 | etot = -14.6175140348923 -624000 ekin = 0.274026439188702 | erot = 0.394265031625425 | epot = -15.2858055057161 | etot = -14.6175140349019 -625000 ekin = 0.28414401573885 | erot = 0.392752285177019 | epot = -15.2944103358336 | etot = -14.6175140349177 -626000 ekin = 0.295931256226573 | erot = 0.389642344381245 | epot = -15.303087635547 | etot = -14.6175140349392 -627000 ekin = 0.309019727830035 | erot = 0.384944676505037 | epot = -15.3114784393 | etot = -14.6175140349649 -628000 ekin = 0.322940275279346 | erot = 0.378706350960174 | epot = -15.3191606612318 | etot = -14.6175140349923 -629000 ekin = 0.337147043698441 | erot = 0.371025698974895 | epot = -15.3256867776918 | etot = -14.6175140350184 -630000 ekin = 0.351051052995002 | erot = 0.362066500827022 | epot = -15.330631588862 | etot = -14.61751403504 -631000 ekin = 0.364060148818953 | erot = 0.352070586246035 | epot = -15.3336447701185 | etot = -14.6175140350535 -632000 ekin = 0.375621025661416 | erot = 0.341366514681189 | epot = -15.334501575399 | etot = -14.6175140350563 -633000 ekin = 0.385258541224309 | erot = 0.330372092305621 | epot = -15.3331446685767 | etot = -14.6175140350468 -634000 ekin = 0.392607865616072 | erot = 0.319588956493667 | epot = -15.329710857134 | etot = -14.6175140350243 -635000 ekin = 0.397436097277817 | erot = 0.309588318033289 | epot = -15.3245384503008 | etot = -14.6175140349897 -636000 ekin = 0.399651602684335 | erot = 0.300988094378234 | epot = -15.3181537320079 | etot = -14.6175140349453 -637000 ekin = 0.399301141331978 | erot = 0.294422893568735 | epot = -15.3112380697947 | etot = -14.617514034894 -638000 ekin = 0.396556439146157 | erot = 0.290509369489293 | epot = -15.3045798434752 | etot = -14.6175140348397 -639000 ekin = 0.391692975512685 | erot = 0.289810143796979 | epot = -15.2990171540957 | etot = -14.6175140347861 -640000 ekin = 0.385064212932825 | erot = 0.29279965311316 | epot = -15.2953779007829 | etot = -14.6175140347369 -641000 ekin = 0.377074355549984 | erot = 0.299834934662478 | epot = -15.2944233249076 | etot = -14.6175140346951 -642000 ekin = 0.368152133960252 | erot = 0.311133625025682 | epot = -15.2967997936491 | etot = -14.6175140346632 -643000 ekin = 0.35872729827394 | erot = 0.326760494743215 | epot = -15.3030018276596 | etot = -14.6175140346425 -644000 ekin = 0.349210670242454 | erot = 0.346622862553666 | epot = -15.3133475674301 | etot = -14.6175140346339 -645000 ekin = 0.339977915473995 | erot = 0.370474376279531 | epot = -15.3279663263912 | etot = -14.6175140346376 -646000 ekin = 0.331356734048571 | erot = 0.397926004728945 | epot = -15.3467967734306 | etot = -14.6175140346531 -647000 ekin = 0.323616951061498 | erot = 0.428462692621698 | epot = -15.3695936783626 | etot = -14.6175140346794 -648000 ekin = 0.316962984679426 | erot = 0.461463981263885 | epot = -15.395941000659 | etot = -14.6175140347157 -649000 ekin = 0.311528303721651 | erot = 0.496226945505972 | epot = -15.4252692839882 | etot = -14.6175140347606 -650000 ekin = 0.307371814502134 | erot = 0.531990113311391 | epot = -15.4568759626263 | etot = -14.6175140348127 -651000 ekin = 0.304476169211803 | erot = 0.567957247022998 | epot = -15.4899474511054 | etot = -14.6175140348706 -652000 ekin = 0.302748327843514 | erot = 0.603320352538697 | epot = -15.5235827153148 | etot = -14.6175140349326 -653000 ekin = 0.302022769690169 | erot = 0.637281675063339 | epot = -15.5568184797505 | etot = -14.617514034997 -654000 ekin = 0.302067723594894 | erot = 0.669074745115614 | epot = -15.5886565037725 | etot = -14.617514035062 -655000 ekin = 0.30259467177562 | erot = 0.697984728109731 | epot = -15.6180934350106 | etot = -14.6175140351253 -656000 ekin = 0.30327116127458 | erot = 0.723368330431443 | epot = -15.6441535268905 | etot = -14.6175140351845 -657000 ekin = 0.303736663271753 | erot = 0.744673311811842 | epot = -15.665924010321 | etot = -14.6175140352374 -658000 ekin = 0.303620889263354 | erot = 0.761457272709825 | epot = -15.6825921972547 | etot = -14.6175140352815 -659000 ekin = 0.302563666908929 | erot = 0.773404945480537 | epot = -15.6934826477038 | etot = -14.6175140353143 -660000 ekin = 0.300235395695977 | erot = 0.780343280385416 | epot = -15.6980927114156 | etot = -14.6175140353342 -661000 ekin = 0.2963557105327 | erot = 0.782250083092817 | epot = -15.6961198289653 | etot = -14.6175140353398 -662000 ekin = 0.290710478297869 | erot = 0.779257959177475 | epot = -15.6874824728057 | etot = -14.6175140353303 -663000 ekin = 0.283165147464189 | erot = 0.771650651991606 | epot = -15.672329834762 | etot = -14.6175140353062 -664000 ekin = 0.27367342717685 | erot = 0.75985056245593 | epot = -15.6510380249012 | etot = -14.6175140352684 -665000 ekin = 0.262280913452633 | erot = 0.744397727319261 | epot = -15.6241926759909 | etot = -14.617514035219 -666000 ekin = 0.249123647022576 | erot = 0.725921231745041 | epot = -15.5925589139283 | etot = -14.6175140351607 -667000 ekin = 0.234422061210095 | erot = 0.705104954965518 | epot = -15.5570410512721 | etot = -14.6175140350965 -668000 ekin = 0.218471158369142 | erot = 0.682650243125394 | epot = -15.5186354365242 | etot = -14.6175140350297 -669000 ekin = 0.201627981911554 | erot = 0.659238455807285 | epot = -15.4783804726821 | etot = -14.6175140349633 -670000 ekin = 0.184297501938695 | erot = 0.635496303881749 | epot = -15.4373078407206 | etot = -14.6175140349002 -671000 ekin = 0.166917915804586 | erot = 0.611966525748987 | epot = -15.3963984763963 | etot = -14.6175140348427 -672000 ekin = 0.149946120673763 | erot = 0.589085832362546 | epot = -15.3565459878289 | etot = -14.6175140347926 -673000 ekin = 0.133843801904168 | erot = 0.567171306813735 | epot = -15.3185291434688 | etot = -14.6175140347509 -674000 ekin = 0.119064262674211 | erot = 0.546415679822031 | epot = -15.2829939772145 | etot = -14.6175140347182 -675000 ekin = 0.106039855016797 | erot = 0.526891195483695 | epot = -15.250445085195 | etot = -14.6175140346945 -676000 ekin = 0.0951697078771964 | erot = 0.508561175679673 | epot = -15.2212449182363 | etot = -14.6175140346794 -677000 ekin = 0.0868074519861108 | erot = 0.491297978911151 | epot = -15.1956194655695 | etot = -14.6175140346723 -678000 ekin = 0.0812485969713162 | erot = 0.47490530110032 | epot = -15.173667932744 | etot = -14.6175140346723 -679000 ekin = 0.0787177619801643 | erot = 0.459143233465844 | epot = -15.1553750301248 | etot = -14.6175140346788 -680000 ekin = 0.079356202465094 | erot = 0.443753980650321 | epot = -15.1406242178063 | etot = -14.6175140346909 -681000 ekin = 0.0832104900793129 | erot = 0.428486254342671 | epot = -15.1292107791298 | etot = -14.6175140347078 -682000 ekin = 0.0902236865228784 | erot = 0.41311688093406 | epot = -15.1208546021859 | etot = -14.617514034729 -683000 ekin = 0.100230543462783 | erot = 0.397468585264983 | epot = -15.1152131634811 | etot = -14.6175140347533 -684000 ekin = 0.112958164259223 | erot = 0.38142345901904 | epot = -15.1118956580582 | etot = -14.61751403478 -685000 ekin = 0.128033094046448 | erot = 0.364932120277571 | epot = -15.1104792491317 | etot = -14.6175140348077 -686000 ekin = 0.144995008361815 | erot = 0.348018922992721 | epot = -15.1105279661897 | etot = -14.6175140348351 -687000 ekin = 0.163316207854869 | erot = 0.330783730220898 | epot = -15.1116139729366 | etot = -14.6175140348608 -688000 ekin = 0.18242523421552 | erot = 0.313400732953528 | epot = -15.1133400020522 | etot = -14.6175140348832 -689000 ekin = 0.201732335852404 | erot = 0.296114640200911 | epot = -15.1153610109544 | etot = -14.6175140349011 -690000 ekin = 0.220654383890837 | erot = 0.2792343742397 | epot = -15.1174027930443 | etot = -14.6175140349138 -691000 ekin = 0.238637189924079 | erot = 0.263124260135935 | epot = -15.1192754849806 | etot = -14.6175140349206 -692000 ekin = 0.255173895595862 | erot = 0.248192653896372 | epot = -15.120880584414 | etot = -14.6175140349217 -693000 ekin = 0.269818995117389 | erot = 0.23487802400786 | epot = -15.1222110540428 | etot = -14.6175140349175 -694000 ekin = 0.282198402188406 | erot = 0.223632668705058 | epot = -15.1233451058024 | etot = -14.6175140349089 -695000 ekin = 0.292016609392508 | erot = 0.214904477347547 | epot = -15.1244351216369 | etot = -14.6175140348968 -696000 ekin = 0.299062308190414 | erot = 0.209117382946464 | epot = -15.125693726019 | etot = -14.6175140348821 -697000 ekin = 0.303213809971508 | erot = 0.20665136156702 | epot = -15.1273792064044 | etot = -14.6175140348658 -698000 ekin = 0.304445256191661 | erot = 0.207822979228463 | epot = -15.1297822702686 | etot = -14.6175140348484 -699000 ekin = 0.302833983904557 | erot = 0.212867544423975 | epot = -15.133215563159 | etot = -14.6175140348305 -700000 ekin = 0.298568596343091 | erot = 0.221923881122192 | epot = -15.1380065122771 | etot = -14.6175140348118 -701000 ekin = 0.291956369738192 | erot = 0.235022588975887 | epot = -15.1444929935065 | etot = -14.6175140347924 -702000 ekin = 0.283427734153971 | erot = 0.252078414120766 | epot = -15.1530201830474 | etot = -14.6175140347727 -703000 ekin = 0.273534855577063 | erot = 0.272887068860917 | epot = -15.1639359591908 | etot = -14.6175140347528 -704000 ekin = 0.262941046164718 | erot = 0.297126498876258 | epot = -15.1775815797747 | etot = -14.6175140347337 -705000 ekin = 0.252398060444993 | erot = 0.324362359960494 | epot = -15.1942744551228 | etot = -14.6175140347173 -706000 ekin = 0.242709489752809 | erot = 0.35405734989386 | epot = -15.2142808743525 | etot = -14.6175140347058 -707000 ekin = 0.23468046525944 | erot = 0.385584073394854 | epot = -15.2377785733566 | etot = -14.6175140347023 -708000 ekin = 0.229056562326985 | erot = 0.418241319395694 | epot = -15.2648119164327 | etot = -14.61751403471 -709000 ekin = 0.226457657534062 | erot = 0.451273895784643 | epot = -15.2952455880503 | etot = -14.6175140347316 -710000 ekin = 0.227314828596047 | erot = 0.483896330832059 | epot = -15.3287251941968 | etot = -14.6175140347687 -711000 ekin = 0.231819479497758 | erot = 0.51532074217238 | epot = -15.3646542564917 | etot = -14.6175140348216 -712000 ekin = 0.239893150549453 | erot = 0.544788749313893 | epot = -15.4021959347515 | etot = -14.6175140348881 -713000 ekin = 0.251183758823612 | erot = 0.571606341189966 | epot = -15.4403041349782 | etot = -14.6175140349646 -714000 ekin = 0.265090036185669 | erot = 0.595179886373849 | epot = -15.4777839576048 | etot = -14.6175140350453 -715000 ekin = 0.280811306968513 | erot = 0.615050345045216 | epot = -15.5133756871376 | etot = -14.6175140351238 -716000 ekin = 0.297415784950172 | erot = 0.63092216570443 | epot = -15.5458519858484 | etot = -14.6175140351938 -717000 ekin = 0.313918116237496 | erot = 0.642683345317361 | epot = -15.5741154968044 | etot = -14.6175140352495 -718000 ekin = 0.329356373326515 | erot = 0.650413757300699 | epot = -15.597284165914 | etot = -14.6175140352868 -719000 ekin = 0.342860093483698 | erot = 0.654380316354833 | epot = -15.6147544451418 | etot = -14.6175140353033 -720000 ekin = 0.353703497402146 | erot = 0.655019233384794 | epot = -15.6262367660857 | etot = -14.6175140352987 -721000 ekin = 0.361340844904821 | erot = 0.652906431496425 | epot = -15.6317613116759 | etot = -14.6175140352746 -722000 ekin = 0.365423978940444 | erot = 0.648719378780955 | epot = -15.6316573929551 | etot = -14.6175140352337 -723000 ekin = 0.365803989071099 | erot = 0.643193727890457 | epot = -15.6265117521414 | etot = -14.6175140351799 -724000 ekin = 0.362520178744054 | erot = 0.637078359572984 | epot = -15.6171125734343 | etot = -14.6175140351172 -725000 ekin = 0.355779938479084 | erot = 0.631092082280464 | epot = -15.6043860558097 | etot = -14.6175140350502 -726000 ekin = 0.345932952940548 | erot = 0.625884613514222 | epot = -15.5893316014373 | etot = -14.6175140349826 -727000 ekin = 0.333442641404433 | erot = 0.622003743386452 | epot = -15.572960419709 | etot = -14.6175140349181 -728000 ekin = 0.31885705049608 | erot = 0.619869891937983 | epot = -15.5562409772938 | etot = -14.6175140348597 -729000 ekin = 0.30278072495631 | erot = 0.61975869169039 | epot = -15.5400534514564 | etot = -14.6175140348097 -730000 ekin = 0.285848455040377 | erot = 0.621791770571061 | epot = -15.5251542603808 | etot = -14.6175140347694 -731000 ekin = 0.26870127220438 | erot = 0.625935552811994 | epot = -15.5121508597562 | etot = -14.6175140347399 -732000 ekin = 0.251964649663544 | erot = 0.632007594592584 | epot = -15.5014862789777 | etot = -14.6175140347215 -733000 ekin = 0.236228569496369 | erot = 0.639689689353592 | epot = -15.4934322935641 | etot = -14.6175140347141 -734000 ekin = 0.2220289607466 | erot = 0.64854669871573 | epot = -15.4880896941798 | etot = -14.6175140347175 -735000 ekin = 0.209830023527896 | erot = 0.658049804518268 | epot = -15.4853938627768 | etot = -14.6175140347306 -736000 ekin = 0.20000716676131 | erot = 0.667602683400117 | epot = -15.4851238849144 | etot = -14.6175140347529 -737000 ekin = 0.192830719625365 | erot = 0.676569044421737 | epot = -15.4869137988309 | etot = -14.6175140347838 -738000 ekin = 0.188451200585985 | erot = 0.684300102138329 | epot = -15.4902653375465 | etot = -14.6175140348222 -739000 ekin = 0.186887639937117 | erot = 0.6901609006521 | epot = -15.4945625754563 | etot = -14.6175140348671 -740000 ekin = 0.18802106841102 | erot = 0.693554915035337 | epot = -15.4990900183636 | etot = -14.6175140349173 -741000 ekin = 0.191595568995591 | erot = 0.693946922730827 | epot = -15.5030565266968 | etot = -14.6175140349704 -742000 ekin = 0.197228843628703 | erot = 0.690884208638806 | epot = -15.5056270872919 | etot = -14.6175140350244 -743000 ekin = 0.204433503637974 | erot = 0.684016821527692 | epot = -15.5059643602413 | etot = -14.6175140350756 -744000 ekin = 0.212648433381792 | erot = 0.673116668202608 | epot = -15.503279136705 | etot = -14.6175140351206 -745000 ekin = 0.221277722248228 | erot = 0.658094727364962 | epot = -15.4968864847688 | etot = -14.6175140351556 -746000 ekin = 0.229733012317398 | erot = 0.639014583780834 | epot = -15.4862616312757 | etot = -14.6175140351775 -747000 ekin = 0.23747404414407 | erot = 0.616100096672176 | epot = -15.4710881760002 | etot = -14.6175140351839 -748000 ekin = 0.244042266762415 | erot = 0.589734872786552 | epot = -15.4512911747231 | etot = -14.6175140351741 -749000 ekin = 0.249083597952522 | erot = 0.560451518402465 | epot = -15.4270491515038 | etot = -14.6175140351488 -750000 ekin = 0.25235833014632 | erot = 0.528910066810374 | epot = -15.3987824320668 | etot = -14.6175140351102 -751000 ekin = 0.253738423480709 | erot = 0.495866496253692 | epot = -15.3671189547962 | etot = -14.6175140350618 -752000 ekin = 0.253194394014668 | erot = 0.462133785332355 | epot = -15.3328422143545 | etot = -14.6175140350075 -753000 ekin = 0.250775308154698 | erot = 0.428539072349797 | epot = -15.2968284154564 | etot = -14.6175140349519 -754000 ekin = 0.246585878545855 | erot = 0.395880964578259 | epot = -15.2599808780229 | etot = -14.6175140348988 -755000 ekin = 0.240764398112151 | erot = 0.364890850085332 | epot = -15.2231692830489 | etot = -14.6175140348514 -756000 ekin = 0.233464471042371 | erot = 0.33620133003052 | epot = -15.1871798358848 | etot = -14.6175140348119 -757000 ekin = 0.224842467157428 | erot = 0.310323830730607 | epot = -15.1526803326694 | etot = -14.6175140347814 -758000 ekin = 0.215051562420606 | erot = 0.287636293953365 | epot = -15.1202018911339 | etot = -14.61751403476 -759000 ekin = 0.204242275875609 | erot = 0.268380753510832 | epot = -15.090137064133 | etot = -14.6175140347465 -760000 ekin = 0.192568636064991 | erot = 0.252669695564108 | epot = -15.0627523663688 | etot = -14.6175140347397 -761000 ekin = 0.180198520175589 | erot = 0.240499428913179 | epot = -15.038211983826 | etot = -14.6175140347373 -762000 ekin = 0.167326299029085 | erot = 0.231768292969539 | epot = -15.0166086267357 | etot = -14.617514034737 -763000 ekin = 0.15418568590204 | erot = 0.226297425418118 | epot = -14.997997146057 | etot = -14.6175140347368 -764000 ekin = 0.141060632749147 | erot = 0.223852003350697 | epot = -14.9824266708347 | etot = -14.6175140347349 -765000 ekin = 0.128292252297103 | erot = 0.224161332820243 | epot = -14.9699676198474 | etot = -14.61751403473 -766000 ekin = 0.116280064488639 | erot = 0.226936813025351 | epot = -14.9607309122354 | etot = -14.6175140347214 -767000 ekin = 0.105476340627594 | erot = 0.231887507272404 | epot = -14.9548778826094 | etot = -14.6175140347094 -768000 ekin = 0.0963728909465988 | erot = 0.23873364134698 | epot = -14.952620566988 | etot = -14.6175140346944 -769000 ekin = 0.0894802427438104 | erot = 0.247218655410706 | epot = -14.9542129328319 | etot = -14.6175140346774 -770000 ekin = 0.0852997361098734 | erot = 0.257120353609604 | epot = -14.9599341243794 | etot = -14.6175140346599 -771000 ekin = 0.0842896183574806 | erot = 0.268261228609983 | epot = -14.9700648816113 | etot = -14.6175140346438 -772000 ekin = 0.0868267987479503 | erot = 0.280517313420827 | epot = -14.9848581468001 | etot = -14.6175140346313 -773000 ekin = 0.0931666172479738 | erot = 0.29382416266062 | epot = -15.0045048145334 | etot = -14.6175140346248 -774000 ekin = 0.103403843826315 | erot = 0.308178073397328 | epot = -15.0290959518505 | etot = -14.6175140346269 -775000 ekin = 0.117439110045059 | erot = 0.323630675217718 | epot = -15.0585838199028 | etot = -14.61751403464 -776000 ekin = 0.134955835364923 | erot = 0.340275613675133 | epot = -15.0927454837062 | etot = -14.6175140346661 -777000 ekin = 0.155413263634583 | erot = 0.3582278427454 | epot = -15.1311551410863 | etot = -14.6175140347063 -778000 ekin = 0.178060391220183 | erot = 0.377596905888865 | epot = -15.1731713318691 | etot = -14.6175140347601 -779000 ekin = 0.201973803863677 | erot = 0.398457850157374 | epot = -15.2179456888463 | etot = -14.6175140348253 -780000 ekin = 0.226119091212116 | erot = 0.420824480237598 | epot = -15.2644576063476 | etot = -14.6175140348979 -781000 ekin = 0.249431156624362 | erot = 0.444629585314245 | epot = -15.3115747769111 | etot = -14.6175140349725 -782000 ekin = 0.27090447026737 | erot = 0.469715692367108 | epot = -15.3581341976774 | etot = -14.617514035043 -783000 ekin = 0.289681273781371 | erot = 0.495837747641005 | epot = -15.4030330565255 | etot = -14.6175140351031 -784000 ekin = 0.305125009984925 | erot = 0.522676532161846 | epot = -15.4453155772951 | etot = -14.6175140351483 -785000 ekin = 0.316868262921689 | erot = 0.549859353707494 | epot = -15.4842416518049 | etot = -14.6175140351757 -786000 ekin = 0.324828845887827 | erot = 0.57698331002341 | epot = -15.5193261910962 | etot = -14.617514035185 -787000 ekin = 0.32919323387832 | erot = 0.60363650580216 | epot = -15.5503437748586 | etot = -14.6175140351781 -788000 ekin = 0.33037186485146 | erot = 0.629413875564563 | epot = -15.5772997755749 | etot = -14.6175140351589 -789000 ekin = 0.328934711355184 | erot = 0.653926193133396 | epot = -15.6003749396209 | etot = -14.6175140351323 -790000 ekin = 0.325537319473833 | erot = 0.676802790007515 | epot = -15.619854144585 | etot = -14.6175140351037 -791000 ekin = 0.320847267933844 | erot = 0.697689943212853 | epot = -15.6360512462245 | etot = -14.6175140350778 -792000 ekin = 0.315479253540059 | erot = 0.716247584425432 | epot = -15.6492408730237 | etot = -14.6175140350582 -793000 ekin = 0.309944490982995 | erot = 0.732146955923568 | epot = -15.659605481954 | etot = -14.6175140350475 -794000 ekin = 0.304617480926279 | erot = 0.745071299200936 | epot = -15.6672028151733 | etot = -14.6175140350461 -795000 ekin = 0.299720880977542 | erot = 0.754720862086076 | epot = -15.6719557781174 | etot = -14.6175140350538 -796000 ekin = 0.295327396181288 | erot = 0.760822658788699 | epot = -15.6736640900385 | etot = -14.6175140350685 -797000 ekin = 0.291376296852734 | erot = 0.763144639346229 | epot = -15.6720349712862 | etot = -14.6175140350872 -798000 ekin = 0.287701294704638 | erot = 0.761513269132583 | epot = -15.6667285989436 | etot = -14.6175140351064 -799000 ekin = 0.284065979572969 | erot = 0.755832991337638 | epot = -15.6574130060325 | etot = -14.6175140351219 -800000 ekin = 0.280202790632173 | erot = 0.746105645864818 | epot = -15.6438224716274 | etot = -14.6175140351304 -801000 ekin = 0.275851560112921 | erot = 0.732447665813908 | epot = -15.6258132610552 | etot = -14.6175140351284 -802000 ekin = 0.270794034433598 | erot = 0.715102809072986 | epot = -15.6034108786203 | etot = -14.6175140351137 -803000 ekin = 0.264881442636211 | erot = 0.694448356025999 | epot = -15.5768438337475 | etot = -14.6175140350853 -804000 ekin = 0.258053167890611 | erot = 0.670993199746564 | epot = -15.5465604026803 | etot = -14.6175140350431 -805000 ekin = 0.250345604727777 | erot = 0.645366941436383 | epot = -15.5132265811527 | etot = -14.6175140349885 -806000 ekin = 0.241890533711227 | erot = 0.618299214643911 | epot = -15.4777037832789 | etot = -14.6175140349238 -807000 ekin = 0.232905655206386 | erot = 0.59059128773573 | epot = -15.4410109777945 | etot = -14.6175140348524 -808000 ekin = 0.223678061732307 | erot = 0.563080896687569 | epot = -15.404272993198 | etot = -14.6175140347781 -809000 ekin = 0.21454303522989 | erot = 0.536602758841035 | epot = -15.3686598287761 | etot = -14.6175140347052 -810000 ekin = 0.205860488312487 | erot = 0.511947500022813 | epot = -15.335322022973 | etot = -14.6175140346377 -811000 ekin = 0.197991117804985 | erot = 0.489821758276953 | epot = -15.3053269106614 | etot = -14.6175140345795 -812000 ekin = 0.191273941670598 | erot = 0.470812030933133 | epot = -15.2796000071373 | etot = -14.6175140345336 -813000 ekin = 0.18600640436918 | erot = 0.455354451061547 | epot = -15.2588748899335 | etot = -14.6175140345028 -814000 ekin = 0.182427753711695 | erot = 0.443712201373049 | epot = -15.2436539895733 | etot = -14.6175140344886 -815000 ekin = 0.180705986334899 | erot = 0.435961774090678 | epot = -15.2341817949176 | etot = -14.617514034492 -816000 ekin = 0.180928373605138 | erot = 0.431988814112469 | epot = -15.2304312222306 | etot = -14.617514034513 -817000 ekin = 0.183095431233989 | erot = 0.431493858262917 | epot = -15.2321033240477 | etot = -14.6175140345508 -818000 ekin = 0.187118173911423 | erot = 0.43400789506895 | epot = -15.2386401035843 | etot = -14.6175140346039 -819000 ekin = 0.192818568053485 | erot = 0.438917286806367 | epot = -15.2492498895297 | etot = -14.6175140346698 -820000 ekin = 0.199933211815007 | erot = 0.445497181488063 | epot = -15.2629444280486 | etot = -14.6175140347455 -821000 ekin = 0.208120374082307 | erot = 0.452952069483619 | epot = -15.2785864783934 | etot = -14.6175140348274 -822000 ekin = 0.216970558498724 | erot = 0.460461605795572 | epot = -15.2949461992058 | etot = -14.6175140349115 -823000 ekin = 0.226020685629653 | erot = 0.467229260922794 | epot = -15.3107639815457 | etot = -14.6175140349933 -824000 ekin = 0.234771793852154 | erot = 0.472530858216694 | epot = -15.3248166871376 | etot = -14.6175140350687 -825000 ekin = 0.242709867662635 | erot = 0.475759712130466 | epot = -15.3359836149267 | etot = -14.6175140351336 -826000 ekin = 0.249329060858575 | erot = 0.476465014357238 | epot = -15.3433081104001 | etot = -14.6175140351843 -827000 ekin = 0.25415625948642 | erot = 0.474380409602698 | epot = -15.3460507043074 | etot = -14.6175140352183 -828000 ekin = 0.256775693171424 | erot = 0.469440383344404 | epot = -15.3437301117495 | etot = -14.6175140352337 -829000 ekin = 0.256852201217284 | erot = 0.46178309210187 | epot = -15.336149328549 | etot = -14.6175140352299 -830000 ekin = 0.254151805817283 | erot = 0.451739467040903 | epot = -15.3234053080654 | etot = -14.6175140352073 -831000 ekin = 0.248558416434218 | erot = 0.439809632306185 | epot = -15.3058820839079 | etot = -14.6175140351675 -832000 ekin = 0.240085737091441 | erot = 0.426628719075599 | epot = -15.2842284912797 | etot = -14.6175140351126 -833000 ekin = 0.228883712687973 | erot = 0.412924890623741 | epot = -15.2593226383575 | etot = -14.6175140350458 -834000 ekin = 0.215239082682017 | erot = 0.399472764055522 | epot = -15.2322258817081 | etot = -14.6175140349705 -835000 ekin = 0.199569787294727 | erot = 0.387045440519038 | epot = -15.2041292627042 | etot = -14.6175140348904 -836000 ekin = 0.182413100763729 | erot = 0.376368114580306 | epot = -15.1762952501535 | etot = -14.6175140348094 -837000 ekin = 0.164407483062571 | erot = 0.368075825930997 | epot = -15.149997343725 | etot = -14.6175140347315 -838000 ekin = 0.146268295773245 | erot = 0.362677435797452 | epot = -15.1264597662308 | etot = -14.6175140346601 -839000 ekin = 0.128757768426142 | erot = 0.360527421580312 | epot = -15.1067992246053 | etot = -14.6175140345989 -840000 ekin = 0.112649960717701 | erot = 0.36180661865639 | epot = -15.0919706139249 | etot = -14.6175140345508 -841000 ekin = 0.0986919456674289 | erot = 0.36651260392939 | epot = -15.0827185841154 | etot = -14.6175140345186 -842000 ekin = 0.0875630029231973 | erot = 0.374460003556307 | epot = -15.0795370409836 | etot = -14.6175140345041 -843000 ekin = 0.0798341847684568 | erot = 0.385290606533499 | epot = -15.0826388258105 | etot = -14.6175140345086 -844000 ekin = 0.0759310929906455 | erot = 0.398492769730518 | epot = -15.0919378972534 | etot = -14.6175140345322 -845000 ekin = 0.0761029610203614 | erot = 0.413429207169692 | epot = -15.1070462027642 | etot = -14.6175140345741 -846000 ekin = 0.0804010613291467 | erot = 0.429371869323724 | epot = -15.1272869652855 | etot = -14.6175140346326 -847000 ekin = 0.0886689809243283 | erot = 0.445542241999283 | epot = -15.151725257628 | etot = -14.6175140347044 -848000 ekin = 0.100546421460129 | erot = 0.46115503871289 | epot = -15.1792154949586 | etot = -14.6175140347856 -849000 ekin = 0.115486960011282 | erot = 0.475462945352927 | epot = -15.2084639402358 | etot = -14.6175140348716 -850000 ekin = 0.132788806696208 | erot = 0.487799837753942 | epot = -15.2381026794073 | etot = -14.6175140349572 -851000 ekin = 0.151636227786906 | erot = 0.497619785577632 | epot = -15.2667700484016 | etot = -14.6175140350371 -852000 ekin = 0.171148194576718 | erot = 0.504529242628412 | epot = -15.2931914723118 | etot = -14.6175140351066 -853000 ekin = 0.190430159396265 | erot = 0.50831015746196 | epot = -15.31625435202 | etot = -14.6175140351617 -854000 ekin = 0.208624756900111 | erot = 0.508932337651449 | epot = -15.3350711297509 | etot = -14.6175140351993 -855000 ekin = 0.224957674812678 | erot = 0.506554231539646 | epot = -15.3490259415702 | etot = -14.6175140352179 -856000 ekin = 0.238775816539412 | erot = 0.501512259960127 | epot = -15.3578021117162 | etot = -14.6175140352167 -857000 ekin = 0.249575992234284 | erot = 0.494299801981541 | epot = -15.3613898294126 | etot = -14.6175140351967 -858000 ekin = 0.257023502073991 | erot = 0.485537766821542 | epot = -15.3600753040553 | etot = -14.6175140351598 -859000 ekin = 0.260960921285794 | erot = 0.475939247615297 | epot = -15.3544142040096 | etot = -14.6175140351085 -860000 ekin = 0.261408037072425 | erot = 0.466270984603931 | epot = -15.3451930567221 | etot = -14.6175140350458 -861000 ekin = 0.258554187538353 | erot = 0.457314264402295 | epot = -15.3333824869156 | etot = -14.6175140349749 -862000 ekin = 0.252744258033141 | erot = 0.449827506885222 | epot = -15.3200857998177 | etot = -14.6175140348993 -863000 ekin = 0.244459417796683 | erot = 0.444512141833012 | epot = -15.3064855944521 | etot = -14.6175140348224 -864000 ekin = 0.23429336884036 | erot = 0.441983030938511 | epot = -15.2937904345263 | etot = -14.6175140347475 -865000 ekin = 0.222924696624272 | erot = 0.442744308393629 | epot = -15.2831830396954 | etot = -14.6175140346775 -866000 ekin = 0.211086026109497 | erot = 0.447169652379628 | epot = -15.2757697131049 | etot = -14.6175140346158 -867000 ekin = 0.199530465893205 | erot = 0.455487658922675 | epot = -15.2725321593806 | etot = -14.6175140345647 -868000 ekin = 0.188996288427701 | erot = 0.467771811642206 | epot = -15.274282134597 | etot = -14.6175140345271 -869000 ekin = 0.180171161859839 | erot = 0.483934855625384 | epot = -15.2816200519904 | etot = -14.6175140345052 -870000 ekin = 0.173657413869083 | erot = 0.503727420428225 | epot = -15.2948988687979 | etot = -14.6175140345006 -871000 ekin = 0.169940429082826 | erot = 0.526741193130643 | epot = -15.3141956567281 | etot = -14.6175140345146 -872000 ekin = 0.169362274179231 | erot = 0.55241708894464 | epot = -15.3392933976713 | etot = -14.6175140345475 -873000 ekin = 0.172102391202432 | erot = 0.580058846013128 | epot = -15.3696752718142 | etot = -14.6175140345986 -874000 ekin = 0.178167002902699 | erot = 0.608852557306752 | epot = -15.404533594876 | etot = -14.6175140346666 -875000 ekin = 0.187388233891608 | erot = 0.637892396629037 | epot = -15.4427946652693 | etot = -14.6175140347487 -876000 ekin = 0.199433181368205 | erot = 0.666212376944565 | epot = -15.4831595931543 | etot = -14.6175140348416 -877000 ekin = 0.213822249051452 | erot = 0.69282332523737 | epot = -15.5241596092296 | etot = -14.6175140349407 -878000 ekin = 0.229955728386783 | erot = 0.716754212644293 | epot = -15.5642239760726 | etot = -14.6175140350415 -879000 ekin = 0.247146104645698 | erot = 0.737095186134375 | epot = -15.6017553259191 | etot = -14.617514035139 -880000 ekin = 0.264653797002906 | erot = 0.753040153405454 | epot = -15.6352079856366 | etot = -14.6175140352283 -881000 ekin = 0.28172378426185 | erot = 0.763926241590771 | epot = -15.6631640611577 | etot = -14.617514035305 -882000 ekin = 0.297620641607227 | erot = 0.769267373447333 | epot = -15.6844020504203 | etot = -14.6175140353657 -883000 ekin = 0.311659967166543 | erot = 0.768779581882131 | epot = -15.6979535844564 | etot = -14.6175140354077 -884000 ekin = 0.323234773768197 | erot = 0.762396270683944 | epot = -15.7031450798816 | etot = -14.6175140354294 -885000 ekin = 0.331836099625417 | erot = 0.750272396067174 | epot = -15.6996225311231 | etot = -14.6175140354305 -886000 ekin = 0.337067751564103 | erot = 0.732777385265373 | epot = -15.6873591722411 | etot = -14.6175140354117 -887000 ekin = 0.338655649766336 | erot = 0.710477420749848 | epot = -15.6666471058904 | etot = -14.6175140353742 -888000 ekin = 0.336452632420875 | erot = 0.684108417155686 | epot = -15.6380750848969 | etot = -14.6175140353203 -889000 ekin = 0.330439768515621 | erot = 0.654541548239603 | epot = -15.602495352008 | etot = -14.6175140352528 -890000 ekin = 0.320725208484741 | erot = 0.62274352002662 | epot = -15.5609827636857 | etot = -14.6175140351743 -891000 ekin = 0.307541386208895 | erot = 0.589733936087021 | epot = -15.514789357384 | etot = -14.6175140350881 -892000 ekin = 0.291240998129636 | erot = 0.556542080397485 | epot = -15.465297113524 | etot = -14.6175140349969 -893000 ekin = 0.272291667891092 | erot = 0.524165278720341 | epot = -15.4139709815152 | etot = -14.6175140349038 -894000 ekin = 0.251268620703177 | erot = 0.493530718297282 | epot = -15.3623133738115 | etot = -14.6175140348111 -895000 ekin = 0.228844131843334 | erot = 0.465462234286213 | epot = -15.311820400851 | etot = -14.6175140347214 -896000 ekin = 0.205772103521623 | erot = 0.440653137306931 | epot = -15.263939275466 | etot = -14.6175140346374 -897000 ekin = 0.18286601780276 | erot = 0.419645693758162 | epot = -15.2200257461227 | etot = -14.6175140345617 -898000 ekin = 0.160968870008327 | erot = 0.40281742524286 | epot = -15.1813003297482 | etot = -14.617514034497 -899000 ekin = 0.140914625128286 | erot = 0.390374024162985 | epot = -15.1488026837377 | etot = -14.6175140344464 -900000 ekin = 0.123482269337591 | erot = 0.382348451689304 | epot = -15.1233447554395 | etot = -14.6175140344126 -901000 ekin = 0.109345484385278 | erot = 0.378605737554559 | epot = -15.1054652563381 | etot = -14.6175140343982 -902000 ekin = 0.0990229789071406 | erot = 0.37885314016642 | epot = -15.0953901534788 | etot = -14.6175140344052 -903000 ekin = 0.0928360184568559 | erot = 0.382655585825979 | epot = -15.093005638717 | etot = -14.6175140344341 -904000 ekin = 0.0908801123885926 | erot = 0.389456554773827 | epot = -15.0978507016463 | etot = -14.6175140344838 -905000 ekin = 0.0930167096533132 | erot = 0.398604648850322 | epot = -15.1091353930552 | etot = -14.6175140345515 -906000 ekin = 0.0988880708470662 | erot = 0.409385812369458 | epot = -15.1257879178489 | etot = -14.6175140346324 -907000 ekin = 0.107954659148216 | erot = 0.421060528764254 | epot = -15.1465292226329 | etot = -14.6175140347204 -908000 ekin = 0.119550305155171 | erot = 0.432904367174519 | epot = -15.1699687071382 | etot = -14.6175140348085 -909000 ekin = 0.132947118365042 | erot = 0.444249232158093 | epot = -15.1947103854133 | etot = -14.6175140348902 -910000 ekin = 0.14742054333404 | erot = 0.45452187965619 | epot = -15.2194564579498 | etot = -14.6175140349596 -911000 ekin = 0.162305506309761 | erot = 0.463275978358842 | epot = -15.2430955196813 | etot = -14.6175140350127 -912000 ekin = 0.177037050913266 | erot = 0.470214361754283 | epot = -15.2647654477151 | etot = -14.6175140350476 -913000 ekin = 0.191172462463443 | erot = 0.475199092565798 | epot = -15.2838855900934 | etot = -14.6175140350642 -914000 ekin = 0.204395616840806 | erot = 0.478248345047313 | epot = -15.3001579969523 | etot = -14.6175140350642 -915000 ekin = 0.21650723869525 | erot = 0.479520616571472 | epot = -15.3135418903175 | etot = -14.6175140350508 -916000 ekin = 0.22740635239903 | erot = 0.479288139235308 | epot = -15.3242085266619 | etot = -14.6175140350276 -917000 ekin = 0.237068358847916 | erot = 0.477902392722287 | epot = -15.3324847865686 | etot = -14.6175140349984 -918000 ekin = 0.245524170398606 | erot = 0.475755244751368 | epot = -15.338793450117 | etot = -14.617514034967 -919000 ekin = 0.252843202023207 | erot = 0.473239468154926 | epot = -15.3435967051145 | etot = -14.6175140349364 -920000 ekin = 0.259121284814418 | erot = 0.470712244289352 | epot = -15.3473475640129 | etot = -14.6175140349091 -921000 ekin = 0.264473144075716 | erot = 0.468464808091652 | epot = -15.3504519870541 | etot = -14.6175140348868 -922000 ekin = 0.269028180853147 | erot = 0.466700668341421 | epot = -15.3532428840648 | etot = -14.6175140348703 -923000 ekin = 0.272927944744965 | erot = 0.465523908452019 | epot = -15.3559658880565 | etot = -14.6175140348596 -924000 ekin = 0.276323793828338 | erot = 0.464938026324942 | epot = -15.3587758550077 | etot = -14.6175140348544 -925000 ekin = 0.279373649322719 | erot = 0.464854721381143 | epot = -15.3617424055579 | etot = -14.6175140348541 -926000 ekin = 0.282237300897349 | erot = 0.465111106681717 | epot = -15.3648624424361 | etot = -14.6175140348571 -927000 ekin = 0.285070250341268 | erot = 0.465493135294266 | epot = -15.3680774204978 | etot = -14.6175140348623 -928000 ekin = 0.288016501944426 | erot = 0.465762600719312 | epot = -15.3712931375323 | etot = -14.6175140348686 -929000 ekin = 0.291201026098215 | erot = 0.465684740680354 | epot = -15.3743998016532 | etot = -14.6175140348747 -930000 ekin = 0.294722459179014 | erot = 0.465054261990702 | epot = -15.3772907560492 | etot = -14.6175140348795 -931000 ekin = 0.29864676401532 | erot = 0.463717248454336 | epot = -15.3798780473521 | etot = -14.6175140348824 -932000 ekin = 0.30300230463982 | erot = 0.461587311534142 | epot = -15.382103651057 | etot = -14.617514034883 -933000 ekin = 0.307776651095021 | erot = 0.458654945592281 | epot = -15.3839456315687 | etot = -14.6175140348814 -934000 ekin = 0.312915338272243 | erot = 0.454989722656041 | epot = -15.385419095806 | etot = -14.6175140348777 -935000 ekin = 0.318322768321537 | erot = 0.4507356255513 | epot = -15.3865724287453 | etot = -14.6175140348725 -936000 ekin = 0.323865441581232 | erot = 0.446100385695392 | epot = -15.3874798621431 | etot = -14.6175140348664 -937000 ekin = 0.329377658420751 | erot = 0.441340069470884 | epot = -15.3882317627517 | etot = -14.6175140348601 -938000 ekin = 0.334669609401342 | erot = 0.436740154638299 | epot = -15.3889237988938 | etot = -14.6175140348541 -939000 ekin = 0.339538182698431 | erot = 0.432595723627041 | epot = -15.3896479411745 | etot = -14.617514034849 -940000 ekin = 0.343779460434951 | erot = 0.429190561372456 | epot = -15.3904840566526 | etot = -14.6175140348452 -941000 ekin = 0.347202304173587 | erot = 0.426777065358565 | epot = -15.391493404375 | etot = -14.6175140348428 -942000 ekin = 0.349642062607373 | erot = 0.425558062624985 | epot = -15.3927141600744 | etot = -14.6175140348421 -943000 ekin = 0.350973206935267 | erot = 0.425671371650545 | epot = -15.3941586134289 | etot = -14.6175140348431 -944000 ekin = 0.351119786154239 | erot = 0.427178062458757 | epot = -15.3958118834587 | etot = -14.6175140348457 -945000 ekin = 0.350062816508182 | erot = 0.430055404932911 | epot = -15.397632256291 | etot = -14.6175140348499 -946000 ekin = 0.347844068536133 | erot = 0.434195447788936 | epot = -15.3995535511804 | etot = -14.6175140348553 -947000 ekin = 0.344566017440968 | erot = 0.439410327983271 | epot = -15.4014903802857 | etot = -14.6175140348614 -948000 ekin = 0.340388212506876 | erot = 0.445444378275944 | epot = -15.4033466256503 | etot = -14.6175140348675 -949000 ekin = 0.335520427168076 | erot = 0.451992965713332 | epot = -15.405027427754 | etot = -14.6175140348726 -950000 ekin = 0.330213181195925 | erot = 0.458727107974287 | epot = -15.4064543240458 | etot = -14.6175140348756 -951000 ekin = 0.324745816556271 | erot = 0.465321341195901 | epot = -15.4075811926278 | etot = -14.6175140348756 -952000 ekin = 0.319412679962131 | erot = 0.471482169175953 | epot = -15.4084088840101 | etot = -14.617514034872 -953000 ekin = 0.314508037100271 | erot = 0.476974139325801 | epot = -15.4089962112904 | etot = -14.6175140348643 -954000 ekin = 0.310309685024597 | erot = 0.481639431416524 | epot = -15.4094631512943 | etot = -14.6175140348532 -955000 ekin = 0.30706194776561 | erot = 0.485408201612597 | epot = -15.4099841842179 | etot = -14.6175140348397 -956000 ekin = 0.304958921289462 | erot = 0.488297803840355 | epot = -15.4107707599554 | etot = -14.6175140348255 -957000 ekin = 0.304129209169334 | erot = 0.490400499131601 | epot = -15.4120437431141 | etot = -14.6175140348131 -958000 ekin = 0.304623714620741 | erot = 0.491860923620763 | epot = -15.4139986730463 | etot = -14.6175140348048 -959000 ekin = 0.306408207892433 | erot = 0.492846142548468 | epot = -15.4167683852438 | etot = -14.6175140348029 -960000 ekin = 0.309362278814204 | erot = 0.493512316197963 | epot = -15.4203886298212 | etot = -14.617514034809 -961000 ekin = 0.313285873785893 | erot = 0.493972653387203 | epot = -15.4247725619971 | etot = -14.617514034824 -962000 ekin = 0.317913924785377 | erot = 0.494271324762721 | epot = -15.4296992843955 | etot = -14.6175140348474 -963000 ekin = 0.322938673954067 | erot = 0.494367337737335 | epot = -15.434820046569 | etot = -14.6175140348776 -964000 ekin = 0.32803828153202 | erot = 0.494131108238476 | epot = -15.4396834246822 | etot = -14.6175140349118 -965000 ekin = 0.332909295684033 | erot = 0.493354750676285 | epot = -15.4437780813066 | etot = -14.6175140349462 -966000 ekin = 0.337299689763766 | erot = 0.491775167781745 | epot = -15.4465888925225 | etot = -14.617514034977 -967000 ekin = 0.341038574327655 | erot = 0.489107134739062 | epot = -15.4476597440666 | etot = -14.6175140349999 -968000 ekin = 0.344058508087222 | erot = 0.485082040987952 | epot = -15.4466545840868 | etot = -14.6175140350117 -969000 ekin = 0.346406687227151 | erot = 0.479487053291702 | epot = -15.4434077755292 | etot = -14.6175140350103 -970000 ekin = 0.348242259951282 | erot = 0.472199376074787 | epot = -15.4379556710213 | etot = -14.6175140349953 -971000 ekin = 0.349818577908804 | erot = 0.463211040207177 | epot = -15.4305436530837 | etot = -14.6175140349678 -972000 ekin = 0.351451221504524 | erot = 0.452641107453752 | epot = -15.4216063638891 | etot = -14.6175140349308 -973000 ekin = 0.3534748518418 | erot = 0.440734047140215 | epot = -15.4117229338706 | etot = -14.6175140348885 -974000 ekin = 0.356193968986606 | erot = 0.427844962322964 | epot = -15.4015529661554 | etot = -14.6175140348458 -975000 ekin = 0.359834072252968 | erot = 0.414413971021433 | epot = -15.3917620780819 | etot = -14.6175140348075 -976000 ekin = 0.364500158164541 | erot = 0.400933139115399 | epot = -15.3829473320578 | etot = -14.6175140347778 -977000 ekin = 0.370148756531594 | erot = 0.387909813696784 | epot = -15.3755726049881 | etot = -14.6175140347597 -978000 ekin = 0.376577842832112 | erot = 0.37583005908299 | epot = -15.3699219366697 | etot = -14.6175140347546 -979000 ekin = 0.383436289098897 | erot = 0.365125297246974 | epot = -15.3660756211082 | etot = -14.6175140347623 -980000 ekin = 0.390251542221838 | erot = 0.356144397459927 | epot = -15.3639099744635 | etot = -14.6175140347817 -981000 ekin = 0.396471539315499 | erot = 0.349132547198626 | epot = -15.3631181213241 | etot = -14.61751403481 -982000 ekin = 0.401514997591354 | erot = 0.344217435800631 | epot = -15.3632464682362 | etot = -14.6175140348443 -983000 ekin = 0.404823458769612 | erot = 0.341402706417366 | epot = -15.3637402000685 | etot = -14.6175140348815 -984000 ekin = 0.405908866684804 | erot = 0.34056832459917 | epot = -15.3639912262027 | etot = -14.6175140349188 -985000 ekin = 0.404391803059605 | erot = 0.341477444721989 | epot = -15.3633832827353 | etot = -14.6175140349537 -986000 ekin = 0.400027422799988 | erot = 0.343789434463081 | epot = -15.3613308922474 | etot = -14.6175140349843 -987000 ekin = 0.392718180743718 | erot = 0.347078806740141 | epot = -15.357311022493 | etot = -14.6175140350092 -988000 ekin = 0.382514239213264 | erot = 0.350859769148604 | epot = -15.3508880433891 | etot = -14.6175140350273 -989000 ekin = 0.36960372665304 | erot = 0.354615837190747 | epot = -15.3417335988814 | etot = -14.6175140350376 -990000 ekin = 0.354295674460603 | erot = 0.357833454089941 | epot = -15.3296431635899 | etot = -14.6175140350393 -991000 ekin = 0.336998529350877 | erot = 0.360037895319979 | epot = -15.3145504597026 | etot = -14.6175140350318 -992000 ekin = 0.318196763890073 | erot = 0.360829065192576 | epot = -15.296539864097 | etot = -14.6175140350143 -993000 ekin = 0.298427479538382 | erot = 0.359914303090994 | epot = -15.2758558176161 | etot = -14.6175140349867 -994000 ekin = 0.278258203579966 | erot = 0.357135170966681 | epot = -15.2529074094957 | etot = -14.6175140349491 -995000 ekin = 0.258266471895044 | erot = 0.352485480213702 | epot = -15.2282659870109 | etot = -14.6175140349022 -996000 ekin = 0.239021351636038 | erot = 0.346118523028621 | epot = -15.2026539095118 | etot = -14.6175140348471 -997000 ekin = 0.221066818081191 | erot = 0.338342492443265 | epot = -15.1769233453106 | etot = -14.6175140347861 -998000 ekin = 0.204906835818307 | erot = 0.329604233509113 | epot = -15.152025104049 | etot = -14.6175140347215 -999000 ekin = 0.190992053959209 | erot = 0.320462575794744 | epot = -15.1289686644103 | etot = -14.6175140346563 -1000000 ekin = 0.179708146665587 | erot = 0.311553394428757 | epot = -15.1087755756882 | etot = -14.6175140345938 - 1000000 0.013311715 -1.5443684 0.033490821 -1.4929067 -3.7544839e-05 -Loop time of 17.7119 on 4 procs for 1000000 steps with 10 atoms - -Performance: 48780.802 tau/day, 56459.261 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 | 0.59564 | 6.28 | 11.307 | 181.3 | 35.46 -Bond | 0.083757 | 0.28777 | 0.47668 | 30.6 | 1.62 -Neigh | 0 | 0 | 0 | 0.0 | 0.00 -Comm | 1.8539 | 2.1875 | 2.4877 | 17.3 | 12.35 -Output | 2.1e-05 | 3.85e-05 | 4.5e-05 | 0.0 | 0.00 -Modify | 0.18254 | 0.92719 | 1.638 | 61.5 | 5.23 -Other | | 8.029 | | | 45.33 - -Nlocal: 2.5 ave 5.0 max 0.0 min -Histogram: 1 0 1 0 0 0 0 0 1 1 -Nghost: 7.5 ave 10.0 max 5.0 min -Histogram: 1 0 1 0 0 0 0 0 1 1 -Neighs: 16.0 ave 30.0 max 0.0 min -Histogram: 1 0 1 0 0 0 0 0 1 1 - -Total # of neighbors = 64 -Ave neighs/atom = 6.4 -Ave special neighs/atom = 3.6 -Neighbor list builds = 0 -Dangerous builds = 0 - -#write_restart config.${number}.* -Total wall time: 0:00:17 diff --git a/examples/PACKAGES/cgdna/examples/oxDNA2/duplex2/data.duplex2 b/examples/PACKAGES/cgdna/examples/oxDNA2/duplex2/data.duplex2 index 72872d431a..8c985708ca 100644 --- a/examples/PACKAGES/cgdna/examples/oxDNA2/duplex2/data.duplex2 +++ b/examples/PACKAGES/cgdna/examples/oxDNA2/duplex2/data.duplex2 @@ -1,15 +1,14 @@ -# LAMMPS data file +LAMMPS data file via write_data, version 27 May 2021 + 16 atoms -16 ellipsoids -13 bonds - 4 atom types +13 bonds 1 bond types +16 ellipsoids -# System size --20.000000 20.000000 xlo xhi --20.000000 20.000000 ylo yhi --20.000000 20.000000 zlo zhi +-20 20 xlo xhi +-20 20 ylo yhi +-20 20 zlo zhi Masses @@ -18,79 +17,75 @@ Masses 3 3.1575 4 3.1575 -# Atom-ID, type, position, molecule-ID, ellipsoid flag, density -Atoms +Atoms # hybrid -1 1 -6.000000000000001e-01 0.000000000000000e+00 0.000000000000000e+00 1 1 1 -2 2 -4.860249842674776e-01 -3.518234140414736e-01 3.897628551303122e-01 1 1 1 -3 3 -1.874009511073395e-01 -5.699832309147915e-01 7.795257102606244e-01 1 1 1 -4 4 1.824198365552941e-01 -5.715968887521518e-01 1.169288565390937e+00 1 1 1 -5 1 4.829362784135484e-01 -3.560513319622209e-01 1.559051420521249e+00 1 1 1 -6 2 5.999771538385027e-01 -5.235921299024461e-03 1.948814275651561e+00 1 1 1 -7 3 4.890766774371325e-01 3.475687034056071e-01 2.338577130781873e+00 1 1 1 -8 4 1.923677943514057e-01 5.683261666476170e-01 2.728339985912185e+00 1 1 1 -9 1 -1.923677943514057e-01 -5.683261666476170e-01 2.728339985912185e+00 2 1 1 -10 2 -4.890766774371324e-01 -3.475687034056071e-01 2.338577130781873e+00 2 1 1 -11 3 -5.999771538385025e-01 5.235921299024461e-03 1.948814275651561e+00 2 1 1 -12 4 -4.829362784135481e-01 3.560513319622207e-01 1.559051420521249e+00 2 1 1 -13 1 -1.824198365552940e-01 5.715968887521514e-01 1.169288565390936e+00 2 1 1 -14 2 1.874009511073395e-01 5.699832309147912e-01 7.795257102606241e-01 2 1 1 -15 3 4.860249842674773e-01 3.518234140414733e-01 3.897628551303119e-01 2 1 1 -16 4 5.999999999999995e-01 -3.330669073875470e-17 -3.330669073875470e-16 2 1 1 +1 1 -0.6133472972454725 -0.657478171669766 0.36065226351201896 1 1 3.7269849963023267 0 0 0 +2 2 -0.45262764247356363 -1.0030650534345913 0.7258693379233347 1 1 3.7269849963023267 0 0 0 +3 3 -0.0988342108522641 -1.239775807128057 1.069462285786363 1 1 3.7269849963023267 0 0 0 +4 4 0.2937771854299732 -1.2579750924899842 1.4258916086606965 1 1 3.7269849963023267 0 0 0 +5 1 0.6286896795685137 -1.0183343395119744 1.7689346339672825 1 1 3.7269849963023267 0 0 0 +6 2 0.7901522619067926 -0.6766341805565266 2.1540160705495754 1 1 3.7269849963023267 0 0 0 +7 3 0.7115777184886863 -0.40195579325143455 2.569568683291525 1 1 3.7269849963023267 0 0 0 +8 4 0.46973310377005234 -0.30251697967107033 3.0668007117519216 1 1 3.7269849963023267 0 0 0 +9 1 0.4056113349449848 -1.443775499211898 3.0590726503341124 2 1 3.7269849963023267 0 0 0 +10 2 -0.032028429059287516 -1.2947520971164723 2.7201071151392187 2 1 3.7269849963023267 0 0 0 +11 3 -0.31613855112314065 -0.908414175906161 2.4125207871782006 2 1 3.7269849963023267 0 0 0 +12 4 -0.38939391251821 -0.4866605488242819 2.006177777000426 2 1 3.7269849963023267 0 0 0 +13 1 -0.06232643040853296 -0.07155965522127403 1.5593206052730733 3 1 3.7269849963023267 0 0 0 +14 2 0.17884090390913376 -0.05516721349427172 1.021273149730912 3 1 3.7269849963023267 0 0 0 +15 3 0.4513439961906 -0.23795607383274572 0.5957328539615993 3 1 3.7269849963023267 0 0 0 +16 4 0.5077649359807965 -0.5565625134533538 0.1655875784458841 3 1 3.7269849963023267 0 0 0 -# Atom-ID, translational velocity, angular momentum Velocities -1 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 -2 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 -3 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 -4 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 -5 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 -6 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 -7 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 -8 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 -9 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 -10 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 -11 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 -12 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 -13 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 -14 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 -15 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 -16 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 +1 0.05386890022865587 0.02262922525602673 0.24882291144736746 0.1772010258006941 -0.29588531700001014 -0.2624137503614725 +2 -0.03995003075629463 0.26969511063701984 -0.18986454548195664 -0.030614539375968176 -0.11769518931480599 0.040074702426473215 +3 -0.20784535295201376 -0.13628722357673043 -0.06062477950201746 -0.03676034584820381 -0.06308707793373186 -0.14798601576087625 +4 -0.23969824181316998 -0.5624721730878831 0.032474422905036715 -0.16523645965016515 0.2860623077030974 0.33543519753105877 +5 -0.16114897356828353 -0.22889697470760145 -0.13553324962649563 0.07151030852881342 -0.09415592891043179 0.13422881539312292 +6 -0.04701706588477693 0.19216715585110036 0.14588242791297215 0.09218622989776322 -0.5640128930702024 0.09287105657777776 +7 0.05098438305112513 -0.038459555522009595 -0.14244196285749675 0.3479046835475834 0.4244922695910593 -0.13582882604358357 +8 0.37827971348411926 -0.04953992506010833 0.1626392045834847 0.0442887659636129 0.07868414126013584 -0.12713600444325032 +9 0.04912038408665491 0.041260647318716696 0.012223856334495234 0.03282916621721876 -0.00012670547095256 0.155978785417696 +10 0.1939216183073483 0.11075235485381942 -0.0405050516019971 -0.17008135001813812 -0.4563093565840761 -0.30318513627039506 +11 -0.351360733920646 -0.18822419067535692 0.36147938199051305 -0.3708221604627426 -0.49108381825941216 0.09435948331955418 +12 -0.1188642917357977 0.22355282456551884 0.009265586122144348 -0.28230100188858365 0.10276485660828892 0.10175233476780697 +13 -0.1446616296238799 -0.11552059909787235 0.1331477187595642 -0.25498721890374343 0.2754663721641154 0.05806416868630132 +14 0.051547120035862544 -0.36611026510775635 -0.06630782880801242 -0.11999847173316518 0.0684476892288605 0.2161595932308759 +15 -0.20214244962091388 0.23341226933559608 0.008133374252278069 -0.17013911124135248 0.01870292260510287 -0.2682954134361106 +16 -0.19202131162868008 -0.08105295741355378 -0.0469350810885074 0.017332107652647588 -0.32876588862807693 0.1085334141225924 -# Atom-ID, shape, quaternion -Ellipsoids - -1 1.173984503142341e+00 1.173984503142341e+00 1.173984503142341e+00 1.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 -2 1.173984503142341e+00 1.173984503142341e+00 1.173984503142341e+00 9.513258223252946e-01 0.000000000000000e+00 0.000000000000000e+00 3.081869234362515e-01 -3 1.173984503142341e+00 1.173984503142341e+00 1.173984503142341e+00 8.100416404457962e-01 0.000000000000000e+00 0.000000000000000e+00 5.863723567357894e-01 -4 1.173984503142341e+00 1.173984503142341e+00 1.173984503142341e+00 5.899012371043606e-01 0.000000000000000e+00 0.000000000000000e+00 8.074754054847398e-01 -5 1.173984503142341e+00 1.173984503142341e+00 1.173984503142341e+00 3.123349185122326e-01 0.000000000000000e+00 0.000000000000000e+00 9.499720515246527e-01 -6 1.173984503142341e+00 1.173984503142341e+00 1.173984503142341e+00 4.363309284746654e-03 0.000000000000000e+00 0.000000000000000e+00 9.999904807207346e-01 -7 1.173984503142341e+00 1.173984503142341e+00 1.173984503142341e+00 -3.040330609254902e-01 0.000000000000000e+00 0.000000000000000e+00 9.526614812535865e-01 -8 1.173984503142341e+00 1.173984503142341e+00 1.173984503142341e+00 5.828323126827837e-01 0.000000000000000e+00 0.000000000000000e+00 -8.125924533816677e-01 -9 1.173984503142341e+00 1.173984503142341e+00 1.173984503142341e+00 0.000000000000000e+00 8.125924533816681e-01 5.828323126827832e-01 -0.000000000000000e+00 -10 1.173984503142341e+00 1.173984503142341e+00 1.173984503142341e+00 0.000000000000000e+00 9.526614812535864e-01 3.040330609254902e-01 0.000000000000000e+00 -11 1.173984503142341e+00 1.173984503142341e+00 1.173984503142341e+00 0.000000000000000e+00 9.999904807207346e-01 -4.363309284746654e-03 0.000000000000000e+00 -12 1.173984503142341e+00 1.173984503142341e+00 1.173984503142341e+00 0.000000000000000e+00 9.499720515246526e-01 -3.123349185122325e-01 0.000000000000000e+00 -13 1.173984503142341e+00 1.173984503142341e+00 1.173984503142341e+00 0.000000000000000e+00 8.074754054847402e-01 -5.899012371043603e-01 0.000000000000000e+00 -14 1.173984503142341e+00 1.173984503142341e+00 1.173984503142341e+00 0.000000000000000e+00 5.863723567357898e-01 -8.100416404457959e-01 0.000000000000000e+00 -15 1.173984503142341e+00 1.173984503142341e+00 1.173984503142341e+00 -0.000000000000000e+00 -3.081869234362514e-01 9.513258223252948e-01 0.000000000000000e+00 -16 1.173984503142341e+00 1.173984503142341e+00 1.173984503142341e+00 -0.000000000000000e+00 2.775557561562893e-17 1.000000000000000e+00 -0.000000000000000e+00 - -# Bond topology Bonds -1 1 1 2 -2 1 2 3 -3 1 3 4 -4 1 4 5 -5 1 5 6 -6 1 6 7 -7 1 7 8 -8 1 9 10 -9 1 10 11 -10 1 11 12 -11 1 13 14 -12 1 14 15 -13 1 15 16 +1 1 1 2 +2 1 2 3 +3 1 3 4 +4 1 4 5 +5 1 5 6 +6 1 6 7 +7 1 7 8 +8 1 9 10 +9 1 10 11 +10 1 11 12 +11 1 13 14 +12 1 14 15 +13 1 15 16 + +Ellipsoids + +1 1.173984503142341 1.173984503142341 1.173984503142341 0.9964752158482045 -0.053253555733239796 0.011391163807102514 -0.06380787090289707 +2 1.173984503142341 1.173984503142341 1.173984503142341 0.9369923833143513 0.11220716044648564 0.06732538499716349 0.3239168400846305 +3 1.173984503142341 1.173984503142341 1.173984503142341 0.797964932091827 0.14473096354527873 0.18374142699366386 0.5554673737937029 +4 1.173984503142341 1.173984503142341 1.173984503142341 0.5660864821344559 0.14688275499481052 0.09873742533340191 0.8051226439917721 +5 1.173984503142341 1.173984503142341 1.173984503142341 0.2533023785125306 0.12062313161679827 0.08583012223905846 0.9559922359911086 +6 1.173984503142341 1.173984503142341 1.173984503142341 -0.03855807343534716 0.08405913137017908 0.02236505169306371 0.9954632800204194 +7 1.173984503142341 1.173984503142341 1.173984503142341 -0.45592844330248017 0.1004550065061007 -0.052524745294758785 0.8827679181910482 +8 1.173984503142341 1.173984503142341 1.173984503142341 0.768021221540491 -0.009582139884533599 0.03658677589040892 -0.63930665074644 +9 1.173984503142341 1.173984503142341 1.173984503142341 -0.23299975754512345 0.688686395231341 0.6747873944883376 -0.12682324016841584 +10 1.173984503142341 1.173984503142341 1.173984503142341 -0.24662061871907232 0.8744456399178389 0.39370836087823996 -0.13970261209395163 +11 1.173984503142341 1.173984503142341 1.173984503142341 -0.087475900850909 0.977367602388229 0.14493549113095577 -0.12686307572668784 +12 1.173984503142341 1.173984503142341 1.173984503142341 -0.03181169300779214 0.9634374984140112 -0.2442360692534371 -0.10547485630879185 +13 1.173984503142341 1.173984503142341 1.173984503142341 -0.032786070696572266 0.7922941528811777 -0.6084214170523915 -0.03191282109962717 +14 1.173984503142341 1.173984503142341 1.173984503142341 0.047188686288341455 0.6316396208287698 -0.7737349519945348 0.011783095844627799 +15 1.173984503142341 1.173984503142341 1.173984503142341 -0.05869980642620335 -0.34229358203414423 0.9376740835056508 0.012519965878508689 +16 1.173984503142341 1.173984503142341 1.173984503142341 -0.08582818143150042 0.0008707732197394232 0.9939540921464659 -0.0684691735853161 diff --git a/examples/PACKAGES/cgdna/examples/oxDNA2/duplex2/in.duplex2 b/examples/PACKAGES/cgdna/examples/oxDNA2/duplex2/in.duplex2 index 50c1dd3379..b43ce6fd15 100644 --- a/examples/PACKAGES/cgdna/examples/oxDNA2/duplex2/in.duplex2 +++ b/examples/PACKAGES/cgdna/examples/oxDNA2/duplex2/in.duplex2 @@ -2,6 +2,7 @@ variable number equal 2 variable ofreq equal 1000 variable efreq equal 1000 variable T equal 0.1 +variable rhos equal 0.2 units lj @@ -11,11 +12,11 @@ newton off boundary p p p -atom_style hybrid bond ellipsoid +atom_style hybrid bond ellipsoid oxdna atom_modify sort 0 1.0 # Pair interactions require lists of neighbours to be calculated -neighbor 1.0 bin +neighbor 2.0 bin neigh_modify every 1 delay 0 check yes read_data data.duplex2 @@ -38,30 +39,19 @@ 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 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} 1.0 0.815 +pair_coeff * * oxdna2/dh ${T} ${rhos} 0.815 # NVE ensemble -#fix 1 all nve/dot -fix 1 all nve/dotc/langevin ${T} ${T} 0.03 457145 angmom 10 -#fix 1 all nve/asphere -#fix 2 all langevin ${T} ${T} 0.03 457145 angmom 10 +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 10000 1.1 rcb -comm_modify cutoff 2.5 +fix 3 all balance 1000 1.03 shift xyz 10 1.03 +comm_modify cutoff 3.8 -#compute mol all chunk/atom molecule -#compute mychunk all vcm/chunk mol -#fix 4 all ave/time 10000 1 10000 c_mychunk[1] c_mychunk[2] c_mychunk[3] file vcm.txt mode vector - -#dump pos all xyz ${ofreq} traj.${number}.xyz - -#compute quat all property/atom quatw quati quatj quatk -#dump quat all custom ${ofreq} quat.${number}.txt id c_quat[1] c_quat[2] c_quat[3] c_quat[4] -#dump_modify quat sort id -#dump_modify quat format line "%d %13.6le %13.6le %13.6le %13.6le" +compute quat all property/atom quatw quati quatj quatk compute erot all erotate/asphere compute ekin all ke @@ -72,10 +62,10 @@ 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}.txt id x y z vx vy vz fx fy fz tqx tqy tqz -#dump_modify out sort id -#dump_modify out format line "%d %13.6le %13.6le %13.6le %13.6le %13.6le %13.6le %13.6le %13.6le %13.6le %13.6le %13.6le %13.6le" +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 1000000 -#write_restart config.${number}.* +write_data last_config.${number}.* nocoeff 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 new file mode 100644 index 0000000000..6ad31311d6 --- /dev/null +++ b/examples/PACKAGES/cgdna/examples/oxDNA2/duplex2/log.27May21.duplex2.g++.1 @@ -0,0 +1,1182 @@ +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 new file mode 100644 index 0000000000..0cd4417b42 --- /dev/null +++ b/examples/PACKAGES/cgdna/examples/oxDNA2/duplex2/log.27May21.duplex2.g++.4 @@ -0,0 +1,1182 @@ +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.30Jun20.duplex2.g++.1 b/examples/PACKAGES/cgdna/examples/oxDNA2/duplex2/log.30Jun20.duplex2.g++.1 deleted file mode 100644 index 18df3a8299..0000000000 --- a/examples/PACKAGES/cgdna/examples/oxDNA2/duplex2/log.30Jun20.duplex2.g++.1 +++ /dev/null @@ -1,1184 +0,0 @@ -LAMMPS (30 Jun 2020) -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 -WARNING: Atom_style hybrid defines both pertype and peratom masses - both must be set, only peratom masses will be used (../atom_vec_hybrid.cpp:156) -atom_modify sort 0 1.0 - -# Pair interactions require lists of neighbours to be calculated -neighbor 1.0 bin -neigh_modify every 1 delay 0 check yes - -read_data data.duplex2 - orthogonal box = (-20 -20 -20) to (20 20 20) - 1 by 1 by 1 MPI processor grid - reading atoms ... - 16 atoms - reading velocities ... - 16 velocities - 16 ellipsoids - scanning bonds ... - 2 = max bonds/atom - reading bonds ... - 13 bonds - 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 = 0.002 seconds - -set atom * mass 3.1575 - 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 - 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} 1.0 0.815 -pair_coeff * * oxdna2/dh 0.1 1.0 0.815 - -# NVE ensemble -#fix 1 all nve/dot -fix 1 all nve/dotc/langevin ${T} ${T} 0.03 457145 angmom 10 -fix 1 all nve/dotc/langevin 0.1 ${T} 0.03 457145 angmom 10 -fix 1 all nve/dotc/langevin 0.1 0.1 0.03 457145 angmom 10 -#fix 1 all nve/asphere -#fix 2 all langevin ${T} ${T} 0.03 457145 angmom 10 - -timestep 1e-5 - -#comm_style tiled -#fix 3 all balance 10000 1.1 rcb -comm_modify cutoff 2.5 - -#compute mol all chunk/atom molecule -#compute mychunk all vcm/chunk mol -#fix 4 all ave/time 10000 1 10000 c_mychunk[1] c_mychunk[2] c_mychunk[3] file vcm.txt mode vector - -#dump pos all xyz ${ofreq} traj.${number}.xyz - -#compute quat all property/atom quatw quati quatj quatk -#dump quat all custom ${ofreq} quat.${number}.txt id c_quat[1] c_quat[2] c_quat[3] c_quat[4] -#dump_modify quat sort id -#dump_modify quat format line "%d %13.6le %13.6le %13.6le %13.6le" - -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}.txt id x y z vx vy vz fx fy fz tqx tqy tqz -#dump_modify out sort id -#dump_modify out format line "%d %13.6le %13.6le %13.6le %13.6le %13.6le %13.6le %13.6le %13.6le %13.6le %13.6le %13.6le %13.6le" - -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 = 2.6274048 - ghost atom cutoff = 2.6274048 - binsize = 1.3137024, bins = 31 31 31 - 6 neighbor lists, perpetual/occasional/extra = 6 0 0 - (1) pair oxdna2/excv, perpetual - attributes: half, newton off - pair build: half/bin/newtoff - stencil: half/bin/3d/newtoff - bin: standard - (2) pair oxdna2/stk, perpetual, copy from (1) - attributes: half, newton off - pair build: copy - stencil: none - bin: none - (3) pair oxdna2/hbond, perpetual, copy from (1) - attributes: half, newton off - pair build: copy - stencil: none - bin: none - (4) pair oxdna2/xstk, perpetual, copy from (1) - attributes: half, newton off - pair build: copy - stencil: none - bin: none - (5) pair oxdna2/coaxstk, perpetual, copy from (1) - attributes: half, newton off - pair build: copy - stencil: none - bin: none - (6) pair oxdna2/dh, perpetual, copy from (1) - attributes: half, newton off - pair build: copy - stencil: none - bin: none -WARNING: Communication cutoff adjusted to 2.627404783947349 (../comm.cpp:690) -0 ekin = 0 | erot = 0 | epot = -24.419271289937 | etot = -24.419271289937 -Per MPI rank memory allocation (min/avg/max) = 8.146 | 8.146 | 8.146 Mbytes -Step Temp E_pair E_mol TotEng Press - 0 0 -1.5358787 0.0096742456 -1.5262045 1.0127369e-05 -1000 ekin = 1.54282272464468 | erot = 1.71757897250772 | epot = -24.4403527731341 | etot = -21.1799510759817 -2000 ekin = 1.86109566690716 | erot = 1.93804145796026 | epot = -24.3759816748265 | etot = -20.5768445499591 -3000 ekin = 2.68769182431188 | erot = 2.14559269500086 | epot = -24.2916556822451 | etot = -19.4583711629324 -4000 ekin = 2.04710303757243 | erot = 1.48774072590987 | epot = -24.190371461807 | etot = -20.6555276983247 -5000 ekin = 1.77654023802719 | erot = 2.53418650522101 | epot = -24.1246365663843 | etot = -19.8139098231361 -6000 ekin = 3.12253137872527 | erot = 2.04028266818831 | epot = -24.0491248750916 | etot = -18.8863108281781 -7000 ekin = 3.22418765752177 | erot = 2.72037570174022 | epot = -23.9458569915548 | etot = -18.0012936322928 -8000 ekin = 2.83204202112963 | erot = 2.67060276413776 | epot = -23.9211291529766 | etot = -18.4184843677092 -9000 ekin = 2.69585642754481 | erot = 2.59559820250212 | epot = -23.8340823338302 | etot = -18.5426277037833 -10000 ekin = 2.66058119525512 | erot = 1.95965933336077 | epot = -23.7132443170725 | etot = -19.0930037884567 -11000 ekin = 2.34346978235591 | erot = 2.0608750207871 | epot = -23.5779637301072 | etot = -19.1736189269642 -12000 ekin = 2.71430148816282 | erot = 2.08352509995717 | epot = -23.4639027443831 | etot = -18.6660761562631 -13000 ekin = 2.61978682102879 | erot = 2.37135270083347 | epot = -23.3602247027812 | etot = -18.3690851809189 -14000 ekin = 3.07648218347461 | erot = 2.513719767243 | epot = -23.2345584968309 | etot = -17.6443565461133 -15000 ekin = 2.98155804409324 | erot = 1.87766202539412 | epot = -23.0833749664029 | etot = -18.2241548969156 -16000 ekin = 2.18215330648447 | erot = 2.12621179836828 | epot = -22.9601160092383 | etot = -18.6517509043856 -17000 ekin = 1.85636180329758 | erot = 2.31208745603367 | epot = -22.8022922969143 | etot = -18.633843037583 -18000 ekin = 2.26768559168017 | erot = 1.2389450409061 | epot = -22.668242963885 | etot = -19.1616123312987 -19000 ekin = 2.41605854545852 | erot = 2.44791952321404 | epot = -22.5387095337131 | etot = -17.6747314650405 -20000 ekin = 2.51175765558337 | erot = 2.15047735899709 | epot = -22.3909493829452 | etot = -17.7287143683647 -21000 ekin = 2.9915110961596 | erot = 2.41132105778464 | epot = -22.5047205397251 | etot = -17.1018883857809 -22000 ekin = 3.06067007914886 | erot = 1.83986675392832 | epot = -22.6049739626141 | etot = -17.7044371295369 -23000 ekin = 2.66061083480474 | erot = 2.22251362834379 | epot = -22.5979829967718 | etot = -17.7148585336233 -24000 ekin = 2.65745533322327 | erot = 2.79344397300952 | epot = -22.5688422615674 | etot = -17.1179429553346 -25000 ekin = 2.30064465907917 | erot = 2.20975367009042 | epot = -22.5633453862602 | etot = -18.0529470570906 -26000 ekin = 1.6282588103248 | erot = 2.51914272742421 | epot = -22.6015006270016 | etot = -18.4540990892526 -27000 ekin = 1.76021840072103 | erot = 3.70719293889859 | epot = -22.6409357152274 | etot = -17.1735243756077 -28000 ekin = 2.28064774169505 | erot = 2.34192414128161 | epot = -22.7124772012735 | etot = -18.0899053182968 -29000 ekin = 2.05883865245349 | erot = 1.85387249117169 | epot = -22.7242388348361 | etot = -18.811527691211 -30000 ekin = 2.41090888362676 | erot = 1.86304539977924 | epot = -22.6876650006964 | etot = -18.4137107172904 -31000 ekin = 2.76955959719985 | erot = 2.74117025737249 | epot = -22.6962463526981 | etot = -17.1855164981257 -32000 ekin = 2.08562644954365 | erot = 2.81609166367558 | epot = -22.7309387973059 | etot = -17.8292206840867 -33000 ekin = 2.08306771838837 | erot = 3.6412168312574 | epot = -22.671701882331 | etot = -16.9474173326852 -34000 ekin = 2.32648544880974 | erot = 3.09480128654123 | epot = -22.5637155764017 | etot = -17.1424288410507 -35000 ekin = 2.32492461599899 | erot = 2.02549181832456 | epot = -22.4811871522455 | etot = -18.1307707179219 -36000 ekin = 1.9160219633488 | erot = 1.97655634076097 | epot = -22.3849871062612 | etot = -18.4924088021514 -37000 ekin = 1.57338784336504 | erot = 2.62872199467344 | epot = -22.3528406869297 | etot = -18.1507308488912 -38000 ekin = 2.21547906806797 | erot = 2.89630123965964 | epot = -22.3056616105138 | etot = -17.1938813027862 -39000 ekin = 2.55049061085212 | erot = 2.46486573403212 | epot = -22.2602280028032 | etot = -17.244871657919 -40000 ekin = 2.25628181110086 | erot = 1.87515483835113 | epot = -22.2878959489406 | etot = -18.1564592994886 -41000 ekin = 2.46478791133629 | erot = 2.50742704532316 | epot = -22.3614598606398 | etot = -17.3892449039804 -42000 ekin = 2.69217693496336 | erot = 2.04021031621289 | epot = -22.3505245167544 | etot = -17.6181372655782 -43000 ekin = 2.40211339309477 | erot = 1.6668978842528 | epot = -22.353509525279 | etot = -18.2844982479314 -44000 ekin = 2.30891568897327 | erot = 2.40213237626172 | epot = -22.3871831090405 | etot = -17.6761350438055 -45000 ekin = 1.83275065976638 | erot = 2.26068140262528 | epot = -22.4994702091406 | etot = -18.406038146749 -46000 ekin = 1.97585087518641 | erot = 3.0186371421683 | epot = -22.4902643909032 | etot = -17.4957763735485 -47000 ekin = 1.30702141485601 | erot = 1.99592830992523 | epot = -22.4679405795691 | etot = -19.1649908547879 -48000 ekin = 2.58893650014613 | erot = 1.90050780837457 | epot = -22.5072015009757 | etot = -18.017757192455 -49000 ekin = 2.30293607053961 | erot = 2.71885537559561 | epot = -22.5026363414396 | etot = -17.4808448953044 -50000 ekin = 2.47053682632632 | erot = 3.4216531112208 | epot = -22.415032340787 | etot = -16.5228424032399 -51000 ekin = 2.70972992123879 | erot = 1.4301791663753 | epot = -22.3056750708571 | etot = -18.165765983243 -52000 ekin = 3.01390456844682 | erot = 1.97787470370191 | epot = -22.2827481318966 | etot = -17.2909688597479 -53000 ekin = 2.43796472406694 | erot = 4.25598325759163 | epot = -22.2611961774508 | etot = -15.5672481957922 -54000 ekin = 2.47286167616923 | erot = 2.3677730007818 | epot = -22.243519577301 | etot = -17.40288490035 -55000 ekin = 2.25994505035907 | erot = 1.91872181759988 | epot = -22.2996523252175 | etot = -18.1209854572585 -56000 ekin = 2.3461223108806 | erot = 2.20461695689782 | epot = -22.370356062429 | etot = -17.8196167946505 -57000 ekin = 2.51587877543148 | erot = 2.87451767129977 | epot = -22.4723343857415 | etot = -17.0819379390103 -58000 ekin = 2.49925674722554 | erot = 2.80569508565646 | epot = -22.5303780310556 | etot = -17.2254261981736 -59000 ekin = 2.75080755995156 | erot = 2.17181245800364 | epot = -22.5861118023788 | etot = -17.6634917844236 -60000 ekin = 3.2849676836621 | erot = 1.98487748777051 | epot = -22.5789662701264 | etot = -17.3091210986938 -61000 ekin = 2.4147550327795 | erot = 1.80972454908232 | epot = -22.5207352876114 | etot = -18.2962557057495 -62000 ekin = 2.82665653061546 | erot = 1.68517769072779 | epot = -22.4078181490349 | etot = -17.8959839276917 -63000 ekin = 3.70002607874218 | erot = 1.92704686824234 | epot = -22.2626867402007 | etot = -16.6356137932161 -64000 ekin = 3.61736288982706 | erot = 3.03600982585025 | epot = -22.2659045523542 | etot = -15.6125318366769 -65000 ekin = 3.40363639902008 | erot = 3.89044870099903 | epot = -22.2274777177663 | etot = -14.9333926177472 -66000 ekin = 2.94418257190202 | erot = 2.45963190668857 | epot = -22.1363667635561 | etot = -16.7325522849655 -67000 ekin = 2.60477940218663 | erot = 2.10479080523513 | epot = -22.038362895265 | etot = -17.3287926878432 -68000 ekin = 2.57158327795866 | erot = 2.46431755410219 | epot = -22.0244560205645 | etot = -16.9885551885036 -69000 ekin = 2.43845102321476 | erot = 2.85996177461682 | epot = -22.0620804569545 | etot = -16.7636676591229 -70000 ekin = 3.08348233524936 | erot = 2.49640850205841 | epot = -22.1433186271748 | etot = -16.563427789867 -71000 ekin = 2.5576093427884 | erot = 2.50957641127969 | epot = -22.2697187660694 | etot = -17.2025330120013 -72000 ekin = 1.7831483145096 | erot = 2.52806261120156 | epot = -22.3815818044114 | etot = -18.0703708787002 -73000 ekin = 1.86053585113659 | erot = 2.3350857968737 | epot = -22.4387359493251 | etot = -18.2431143013148 -74000 ekin = 3.14016175467449 | erot = 2.13186507521504 | epot = -22.447062887188 | etot = -17.1750360572984 -75000 ekin = 2.60368665360454 | erot = 2.18680067560206 | epot = -22.4438479629936 | etot = -17.653360633787 -76000 ekin = 1.9633244939079 | erot = 1.96057322365503 | epot = -22.4704022140376 | etot = -18.5465044964747 -77000 ekin = 2.09841107775422 | erot = 2.1471460143176 | epot = -22.4970899098551 | etot = -18.2515328177832 -78000 ekin = 2.49484391610508 | erot = 2.50538853212234 | epot = -22.4472882748805 | etot = -17.4470558266531 -79000 ekin = 3.10058476014063 | erot = 2.47637061915656 | epot = -22.3558276087081 | etot = -16.7788722294109 -80000 ekin = 2.52610159631253 | erot = 1.89085194000216 | epot = -22.2951000287249 | etot = -17.8781464924102 -81000 ekin = 2.34286765202483 | erot = 2.2376810918426 | epot = -22.2933034850974 | etot = -17.71275474123 -82000 ekin = 1.55517061572748 | erot = 2.02195112736337 | epot = -22.2470532436032 | etot = -18.6699315005123 -83000 ekin = 2.27421747802727 | erot = 3.34135950792192 | epot = -22.2406089881454 | etot = -16.6250320021963 -84000 ekin = 2.91603956429582 | erot = 2.09861057599124 | epot = -22.2305865946953 | etot = -17.2159364544083 -85000 ekin = 3.17172070756641 | erot = 2.91883241347319 | epot = -22.2381339647476 | etot = -16.147580843708 -86000 ekin = 3.48918734688943 | erot = 2.79711547316344 | epot = -22.2890012778608 | etot = -16.0026984578079 -87000 ekin = 3.648834525211 | erot = 2.30637362835037 | epot = -22.2817018896603 | etot = -16.3264937360989 -88000 ekin = 3.16156585935194 | erot = 2.24503314085539 | epot = -22.2225172277202 | etot = -16.8159182275129 -89000 ekin = 3.32092350591891 | erot = 1.79966969251215 | epot = -22.1549711261911 | etot = -17.03437792776 -90000 ekin = 2.41383485147934 | erot = 2.22694238351369 | epot = -21.9352492588881 | etot = -17.294472023895 -91000 ekin = 1.87769980964557 | erot = 2.50898156232204 | epot = -21.766796868726 | etot = -17.3801154967584 -92000 ekin = 2.06420930396832 | erot = 2.23853979300919 | epot = -21.6902828653619 | etot = -17.3875337683844 -93000 ekin = 1.94960374605101 | erot = 3.00245663654886 | epot = -21.6771969695753 | etot = -16.7251365869754 -94000 ekin = 2.07633340602167 | erot = 3.38669471112637 | epot = -21.7794316475531 | etot = -16.3164035304051 -95000 ekin = 2.09307446139111 | erot = 2.0811295310408 | epot = -21.9165143849258 | etot = -17.7423103924939 -96000 ekin = 2.66782345206074 | erot = 1.87453507536254 | epot = -21.9748225431664 | etot = -17.4324640157432 -97000 ekin = 1.93962158410337 | erot = 2.81228342262069 | epot = -22.0301811391172 | etot = -17.2782761323932 -98000 ekin = 1.98651083318125 | erot = 2.05358325550364 | epot = -22.1050988415859 | etot = -18.065004752901 -99000 ekin = 2.50729461715162 | erot = 3.55227490812968 | epot = -22.2148658268239 | etot = -16.1552963015426 -100000 ekin = 1.87954195221303 | erot = 2.38994009743578 | epot = -22.3826768493088 | etot = -18.11319479966 -101000 ekin = 1.66917867676911 | erot = 3.61296864361924 | epot = -22.4122779848186 | etot = -17.1301306644303 -102000 ekin = 1.63707836649616 | erot = 3.33958463197985 | epot = -22.3664797586262 | etot = -17.3898167601502 -103000 ekin = 2.00216132457488 | erot = 2.34409134088738 | epot = -22.338100531932 | etot = -17.9918478664698 -104000 ekin = 2.03704734920245 | erot = 2.74903331701925 | epot = -22.3478074938274 | etot = -17.5617268276057 -105000 ekin = 1.85601249652044 | erot = 2.00020228548217 | epot = -22.2937670136133 | etot = -18.4375522316107 -106000 ekin = 1.70582694215149 | erot = 1.90992656339968 | epot = -22.3252996603125 | etot = -18.7095461547614 -107000 ekin = 2.61183521416777 | erot = 1.56756438600251 | epot = -22.3815585845482 | etot = -18.2021589843779 -108000 ekin = 2.13345133147477 | erot = 2.1967764492834 | epot = -22.2873637709221 | etot = -17.9571359901639 -109000 ekin = 2.23517703897427 | erot = 2.12289589403282 | epot = -22.1519605830327 | etot = -17.7938876500256 -110000 ekin = 1.66340581480182 | erot = 2.52573727214601 | epot = -22.1681066766204 | etot = -17.9789635896725 -111000 ekin = 2.28529122032929 | erot = 2.24044883756493 | epot = -22.1711980210611 | etot = -17.6454579631669 -112000 ekin = 2.60405127944181 | erot = 2.43646974545776 | epot = -22.1582164438795 | etot = -17.11769541898 -113000 ekin = 2.40208651796091 | erot = 3.06270264515793 | epot = -22.1587051510952 | etot = -16.6939159879764 -114000 ekin = 2.34302229470158 | erot = 2.30426477746864 | epot = -22.1439772736805 | etot = -17.4966902015103 -115000 ekin = 1.69616053999229 | erot = 3.11049212247371 | epot = -22.1736739038021 | etot = -17.3670212413361 -116000 ekin = 1.51961045217859 | erot = 2.22203808801726 | epot = -22.2355447345615 | etot = -18.4938961943657 -117000 ekin = 1.69355164638512 | erot = 2.33913072714747 | epot = -22.2671845473364 | etot = -18.2345021738038 -118000 ekin = 2.1960991163694 | erot = 2.33815079858085 | epot = -22.2453229868293 | etot = -17.7110730718791 -119000 ekin = 2.55982892523823 | erot = 2.47378749563683 | epot = -22.2824155531543 | etot = -17.2487991322793 -120000 ekin = 1.76091001620491 | erot = 2.1741296357231 | epot = -22.2369948282136 | etot = -18.3019551762855 -121000 ekin = 2.80671234452976 | erot = 2.30128219469303 | epot = -22.2260257995407 | etot = -17.1180312603179 -122000 ekin = 3.23136903340218 | erot = 3.30036165167127 | epot = -22.2515019863338 | etot = -15.7197713012603 -123000 ekin = 2.8561114897291 | erot = 3.24294818442618 | epot = -22.2018342366988 | etot = -16.1027745625435 -124000 ekin = 2.14842162472016 | erot = 2.7693802805091 | epot = -22.0303368839078 | etot = -17.1125349786785 -125000 ekin = 1.83317468651689 | erot = 1.37271219749613 | epot = -21.8885764971633 | etot = -18.6826896131502 -126000 ekin = 2.45181092117661 | erot = 3.08753876167365 | epot = -21.8912653158441 | etot = -16.3519156329938 -127000 ekin = 2.39800706812202 | erot = 2.35255982488708 | epot = -21.8786845575463 | etot = -17.1281176645372 -128000 ekin = 2.74926309150919 | erot = 1.83113656927751 | epot = -21.8947833530885 | etot = -17.3143836923018 -129000 ekin = 2.71720149007507 | erot = 2.89223888586493 | epot = -21.888738829699 | etot = -16.279298453759 -130000 ekin = 3.27436175016883 | erot = 2.48649258221715 | epot = -21.9126051843054 | etot = -16.1517508519195 -131000 ekin = 2.72616313783309 | erot = 2.50345885992118 | epot = -21.9360367126892 | etot = -16.7064147149349 -132000 ekin = 2.62485920187038 | erot = 3.40341903141799 | epot = -21.9656374341347 | etot = -15.9373592008463 -133000 ekin = 2.0325764784668 | erot = 2.89126702157637 | epot = -21.9394295827134 | etot = -17.0155860826702 -134000 ekin = 1.62930019559461 | erot = 1.67001909466596 | epot = -21.900605038258 | etot = -18.6012857479974 -135000 ekin = 2.45037614605464 | erot = 2.12340550038047 | epot = -21.8772864662343 | etot = -17.3035048197992 -136000 ekin = 2.29225558372926 | erot = 3.05501283629331 | epot = -21.7842467542129 | etot = -16.4369783341904 -137000 ekin = 2.71619061857373 | erot = 2.45779692364663 | epot = -21.6204232926258 | etot = -16.4464357504054 -138000 ekin = 3.30410447428295 | erot = 1.73171704445596 | epot = -21.609821441089 | etot = -16.57399992235 -139000 ekin = 2.77055079544968 | erot = 1.72559500013771 | epot = -21.7720020827881 | etot = -17.2758562872007 -140000 ekin = 2.72528465654122 | erot = 2.46411811431296 | epot = -21.8660237331067 | etot = -16.6766209622525 -141000 ekin = 2.78705568892822 | erot = 2.44850479765533 | epot = -21.8731300806739 | etot = -16.6375695940903 -142000 ekin = 3.51931490090282 | erot = 3.48544343137045 | epot = -21.8228511941687 | etot = -14.8180928618954 -143000 ekin = 2.59719776759383 | erot = 2.02350560733262 | epot = -21.8096443263653 | etot = -17.1889409514388 -144000 ekin = 3.74308404358447 | erot = 3.03564456771536 | epot = -21.8085900408448 | etot = -15.029861429545 -145000 ekin = 3.62659723153861 | erot = 2.70926904415538 | epot = -21.7250027836497 | etot = -15.3891365079557 -146000 ekin = 3.87407885398524 | erot = 2.49638573472853 | epot = -21.7001271601514 | etot = -15.3296625714376 -147000 ekin = 3.27961687549993 | erot = 2.08263345163676 | epot = -21.5857141934645 | etot = -16.2234638663278 -148000 ekin = 2.49678519214407 | erot = 1.65068656472224 | epot = -21.3397240410766 | etot = -17.1922522842103 -149000 ekin = 2.74324871192595 | erot = 2.27422609775036 | epot = -21.1619902393526 | etot = -16.1445154296762 -150000 ekin = 2.63493686559431 | erot = 2.89891054679402 | epot = -21.0669519346708 | etot = -15.5331045222825 -151000 ekin = 2.08067982512823 | erot = 2.11598312084942 | epot = -20.9754508944265 | etot = -16.7787879484489 -152000 ekin = 2.41049293269485 | erot = 2.60865966337995 | epot = -20.8324522723453 | etot = -15.8132996762705 -153000 ekin = 2.11771886644781 | erot = 2.2612193836258 | epot = -20.8689010813857 | etot = -16.4899628313121 -154000 ekin = 2.34048807401985 | erot = 2.61000659349907 | epot = -20.9736996291527 | etot = -16.0232049616338 -155000 ekin = 2.06125568994135 | erot = 3.02657060603564 | epot = -20.9977701757737 | etot = -15.9099438797968 -156000 ekin = 2.03103875451807 | erot = 3.1844861824748 | epot = -20.8318196513999 | etot = -15.616294714407 -157000 ekin = 2.34991277428576 | erot = 1.91129748769811 | epot = -20.8011437796089 | etot = -16.539933517625 -158000 ekin = 2.16899004769298 | erot = 2.47810803275591 | epot = -20.8955785127325 | etot = -16.2484804322837 -159000 ekin = 2.86703441642079 | erot = 2.2901833721065 | epot = -21.0162479016245 | etot = -15.8590301130972 -160000 ekin = 2.19810986416329 | erot = 2.37335510649732 | epot = -21.1025044999173 | etot = -16.5310395292567 -161000 ekin = 2.13983549244144 | erot = 2.44280202062021 | epot = -21.204645979403 | etot = -16.6220084663414 -162000 ekin = 1.75007978204456 | erot = 2.67089623079416 | epot = -21.2587160217762 | etot = -16.8377400089375 -163000 ekin = 2.22497705720617 | erot = 2.03752809750894 | epot = -21.4065038175883 | etot = -17.1439986628732 -164000 ekin = 2.74622171092286 | erot = 1.42968886006587 | epot = -21.5464343754361 | etot = -17.3705238044474 -165000 ekin = 2.65892253082074 | erot = 2.28893669468687 | epot = -21.5542883684299 | etot = -16.6064291429223 -166000 ekin = 3.28497940714848 | erot = 2.38441021083685 | epot = -21.4831502209917 | etot = -15.8137606030064 -167000 ekin = 3.03302043173269 | erot = 2.0371493034983 | epot = -21.552220768162 | etot = -16.482051032931 -168000 ekin = 3.16647476932142 | erot = 1.85328814856002 | epot = -21.6005552665342 | etot = -16.5807923486528 -169000 ekin = 2.24705103875432 | erot = 2.66949801663851 | epot = -21.5155875234663 | etot = -16.5990384680735 -170000 ekin = 2.43835864940733 | erot = 2.49651566577791 | epot = -21.3706724967315 | etot = -16.4357981815463 -171000 ekin = 1.91174741927943 | erot = 2.39538037263751 | epot = -21.2808048923853 | etot = -16.9736771004683 -172000 ekin = 2.88344950373025 | erot = 3.21569142102288 | epot = -21.2429879136862 | etot = -15.1438469889331 -173000 ekin = 2.75630897924877 | erot = 2.14100943461477 | epot = -21.2680309804945 | etot = -16.370712566631 -174000 ekin = 2.45420058414632 | erot = 2.2332035837858 | epot = -21.3153962561354 | etot = -16.6279920882033 -175000 ekin = 2.84815372525752 | erot = 2.37845124629735 | epot = -21.2811665321372 | etot = -16.0545615605823 -176000 ekin = 2.13811988096562 | erot = 1.89602404006214 | epot = -21.3483452704796 | etot = -17.3142013494519 -177000 ekin = 2.57845153047441 | erot = 2.74101209600055 | epot = -21.3192781201108 | etot = -15.9998144936358 -178000 ekin = 1.8362026158725 | erot = 2.58532929872161 | epot = -21.2513623538897 | etot = -16.8298304392955 -179000 ekin = 2.51664198429652 | erot = 2.38535598715308 | epot = -21.3137585755744 | etot = -16.4117606041248 -180000 ekin = 1.88870242540222 | erot = 2.46307032082017 | epot = -21.4708809842583 | etot = -17.1191082380359 -181000 ekin = 1.7573063317019 | erot = 3.04206214925082 | epot = -21.4638802199926 | etot = -16.6645117390399 -182000 ekin = 1.56372006631669 | erot = 2.0482446459855 | epot = -21.4014353137661 | etot = -17.7894706014639 -183000 ekin = 2.00375583158539 | erot = 2.82586034021598 | epot = -21.4815637987258 | etot = -16.6519476269244 -184000 ekin = 2.68318475320728 | erot = 2.43685976384415 | epot = -21.5996781237133 | etot = -16.4796336066618 -185000 ekin = 2.99744907214255 | erot = 3.19569112714916 | epot = -21.6712604055259 | etot = -15.4781202062342 -186000 ekin = 3.18086271329103 | erot = 2.43694344502803 | epot = -21.700014527818 | etot = -16.0822083694989 -187000 ekin = 2.64763078555984 | erot = 3.43034775414789 | epot = -21.6568302519365 | etot = -15.5788517122288 -188000 ekin = 2.86104386361227 | erot = 3.05673704653031 | epot = -21.5997264275815 | etot = -15.6819455174389 -189000 ekin = 2.64279940222614 | erot = 1.81959052043828 | epot = -21.5371949170904 | etot = -17.074804994426 -190000 ekin = 2.21943570515013 | erot = 1.84825749826526 | epot = -21.498320200761 | etot = -17.4306269973456 -191000 ekin = 2.27416889747069 | erot = 2.0662909239644 | epot = -21.4373070550835 | etot = -17.0968472336484 -192000 ekin = 2.27339562400024 | erot = 3.1084542715957 | epot = -21.4737141732368 | etot = -16.0918642776409 -193000 ekin = 1.95136295247808 | erot = 1.8894092381771 | epot = -21.4612356964994 | etot = -17.6204635058442 -194000 ekin = 2.46233473019503 | erot = 2.02708794085746 | epot = -21.3374302301573 | etot = -16.8480075591048 -195000 ekin = 3.12435057559399 | erot = 2.09826675864205 | epot = -21.2738979568211 | etot = -16.0512806225851 -196000 ekin = 2.70015718375597 | erot = 2.5128575582669 | epot = -21.1930998936957 | etot = -15.9800851516728 -197000 ekin = 2.55038574692144 | erot = 2.07531410993401 | epot = -21.0258757995296 | etot = -16.4001759426742 -198000 ekin = 2.70688003284557 | erot = 1.79490240776514 | epot = -21.0190268968 | etot = -16.5172444561893 -199000 ekin = 2.5693949791157 | erot = 2.33188600887061 | epot = -21.0320560569424 | etot = -16.1307750689561 -200000 ekin = 2.89114428387874 | erot = 1.42209502781995 | epot = -21.0251552631878 | etot = -16.7119159514891 -201000 ekin = 2.68221791581645 | erot = 1.55638461968673 | epot = -21.0246765678572 | etot = -16.786074032354 -202000 ekin = 2.26600119742896 | erot = 2.24264658465156 | epot = -20.966213452201 | etot = -16.4575656701204 -203000 ekin = 2.11315541926328 | erot = 2.03104522736692 | epot = -20.8925289725737 | etot = -16.7483283259435 -204000 ekin = 2.10598805427349 | erot = 1.8944018028419 | epot = -20.9063507999493 | etot = -16.9059609428339 -205000 ekin = 1.32797127466544 | erot = 2.12796235386513 | epot = -20.9546930460646 | etot = -17.4987594175341 -206000 ekin = 1.38118094354854 | erot = 2.25600442653048 | epot = -20.9248899100655 | etot = -17.2877045399865 -207000 ekin = 1.89847617306066 | erot = 1.80813925076998 | epot = -21.0282211762941 | etot = -17.3216057524635 -208000 ekin = 1.82509354299281 | erot = 3.24652806561536 | epot = -21.2820126865175 | etot = -16.2103910779094 -209000 ekin = 2.8041625285186 | erot = 2.34850039993979 | epot = -21.4041461087816 | etot = -16.2514831803232 -210000 ekin = 3.17398766473313 | erot = 3.11871773439181 | epot = -21.4808635207107 | etot = -15.1881581215857 -211000 ekin = 2.47010820072588 | erot = 2.09528143227157 | epot = -21.6056990668499 | etot = -17.0403094338525 -212000 ekin = 2.36989560577724 | erot = 1.93500906628112 | epot = -21.6842526468772 | etot = -17.3793479748188 -213000 ekin = 1.90065800582391 | erot = 2.51889248061745 | epot = -21.7615899372457 | etot = -17.3420394508043 -214000 ekin = 1.97423172880181 | erot = 2.4980598759111 | epot = -21.7892459673185 | etot = -17.3169543626056 -215000 ekin = 1.97168935774729 | erot = 3.17151545304801 | epot = -21.7903331088791 | etot = -16.6471282980838 -216000 ekin = 1.89146772443534 | erot = 1.88107923457565 | epot = -21.7542848995033 | etot = -17.9817379404923 -217000 ekin = 2.06396631795602 | erot = 1.95272203440507 | epot = -21.8104294829847 | etot = -17.7937411306236 -218000 ekin = 2.31997702749623 | erot = 1.68971395254107 | epot = -21.7623319926371 | etot = -17.7526410125998 -219000 ekin = 2.46685879548778 | erot = 2.20801864234035 | epot = -21.7696248586177 | etot = -17.0947474207895 -220000 ekin = 1.73830824437668 | erot = 3.03764928140501 | epot = -21.7250063140519 | etot = -16.9490487882702 -221000 ekin = 1.77900155382619 | erot = 2.78474425452726 | epot = -21.7358321600373 | etot = -17.1720863516838 -222000 ekin = 2.62686448871845 | erot = 2.86058966709522 | epot = -21.6939796138854 | etot = -16.2065254580717 -223000 ekin = 3.04452612483164 | erot = 1.94024942191071 | epot = -21.7122663420572 | etot = -16.7274907953149 -224000 ekin = 2.718937145138 | erot = 2.42480319358565 | epot = -21.6802900448522 | etot = -16.5365497061286 -225000 ekin = 2.02691300626945 | erot = 3.37602856858266 | epot = -21.6857094668298 | etot = -16.2827678919777 -226000 ekin = 2.36557492667929 | erot = 2.39082460572007 | epot = -21.7553390008386 | etot = -16.9989394684392 -227000 ekin = 2.73620885172714 | erot = 2.63025691267084 | epot = -21.818043188201 | etot = -16.451577423803 -228000 ekin = 2.08980697083006 | erot = 2.26883720629955 | epot = -21.880544956506 | etot = -17.5219007793764 -229000 ekin = 1.80144547388731 | erot = 1.79654911472853 | epot = -21.9628584317261 | etot = -18.3648638431102 -230000 ekin = 2.77451167134285 | erot = 2.22776499369623 | epot = -21.9854420760081 | etot = -16.983165410969 -231000 ekin = 3.15850107875523 | erot = 2.7756116636273 | epot = -21.9726828438209 | etot = -16.0385701014384 -232000 ekin = 1.86960416304709 | erot = 1.70620936865288 | epot = -22.0086347294912 | etot = -18.4328211977913 -233000 ekin = 1.75933775527383 | erot = 1.56532056032101 | epot = -21.9899365513674 | etot = -18.6652782357726 -234000 ekin = 2.33698261677869 | erot = 2.05550388448924 | epot = -21.9120502409319 | etot = -17.5195637396639 -235000 ekin = 1.9573829360185 | erot = 2.52333284033808 | epot = -21.8594642182283 | etot = -17.3787484418717 -236000 ekin = 2.2617849997626 | erot = 1.90928533288046 | epot = -21.8749689452558 | etot = -17.7038986126127 -237000 ekin = 2.48853198845777 | erot = 2.64888724219513 | epot = -21.9453266234327 | etot = -16.8079073927798 -238000 ekin = 2.21038428000156 | erot = 2.7424361712651 | epot = -22.0000238560637 | etot = -17.0472034047971 -239000 ekin = 2.72852713027264 | erot = 2.49133994747208 | epot = -22.0182378682277 | etot = -16.7983707904829 -240000 ekin = 3.10387064960454 | erot = 2.19174616842279 | epot = -21.9254266959964 | etot = -16.629809877969 -241000 ekin = 3.04688823533615 | erot = 2.65417483072321 | epot = -21.8524309009232 | etot = -16.1513678348639 -242000 ekin = 2.22655833358292 | erot = 2.33728691596105 | epot = -21.775606752996 | etot = -17.211761503452 -243000 ekin = 1.53720920161825 | erot = 2.80453969203578 | epot = -21.7184041577432 | etot = -17.3766552640892 -244000 ekin = 1.91538946868823 | erot = 2.4387847070438 | epot = -21.6211228029713 | etot = -17.2669486272392 -245000 ekin = 1.95684890248336 | erot = 2.60788082483666 | epot = -21.4938704859113 | etot = -16.9291407585913 -246000 ekin = 2.07153989492555 | erot = 2.40695304198482 | epot = -21.4521110801275 | etot = -16.9736181432171 -247000 ekin = 1.55669060713796 | erot = 2.27930456834644 | epot = -21.4122603878221 | etot = -17.5762652123377 -248000 ekin = 1.83803563986085 | erot = 2.56773709137239 | epot = -21.4358565123266 | etot = -17.0300837810933 -249000 ekin = 1.79842337395836 | erot = 2.04417900475198 | epot = -21.5079955681831 | etot = -17.6653931894727 -250000 ekin = 1.68165772872533 | erot = 3.39425180338125 | epot = -21.5394505717881 | etot = -16.4635410396816 -251000 ekin = 2.13109176968443 | erot = 3.25918860829495 | epot = -21.5291832995953 | etot = -16.1389029216159 -252000 ekin = 2.053654740928 | erot = 2.53782822604964 | epot = -21.5554268525819 | etot = -16.9639438856043 -253000 ekin = 1.65815317720656 | erot = 3.2103686272941 | epot = -21.5801245998449 | etot = -16.7116027953443 -254000 ekin = 2.32643739073982 | erot = 3.10897981239372 | epot = -21.5778214253297 | etot = -16.1424042221962 -255000 ekin = 2.50573519817545 | erot = 2.76783941653296 | epot = -21.5566198260725 | etot = -16.2830452113641 -256000 ekin = 1.97360306022237 | erot = 2.62555911992843 | epot = -21.5492296987675 | etot = -16.9500675186167 -257000 ekin = 2.23010041401886 | erot = 3.26408085278294 | epot = -21.5699664805037 | etot = -16.0757852137019 -258000 ekin = 2.04489236085684 | erot = 1.84672249628675 | epot = -21.6871004150333 | etot = -17.7954855578897 -259000 ekin = 2.87368351206713 | erot = 2.78936048482183 | epot = -21.79465654858 | etot = -16.131612551691 -260000 ekin = 2.90723740318823 | erot = 2.19282117735075 | epot = -21.8510164466681 | etot = -16.7509578661291 -261000 ekin = 2.76826717813612 | erot = 2.3408102568469 | epot = -21.8996159314726 | etot = -16.7905384964896 -262000 ekin = 3.52272168049175 | erot = 1.77108921100701 | epot = -21.9183679745592 | etot = -16.6245570830604 -263000 ekin = 3.08415540167847 | erot = 2.42542153733818 | epot = -21.8525939259305 | etot = -16.3430169869139 -264000 ekin = 2.24750828021794 | erot = 2.03549249484823 | epot = -21.8644003610158 | etot = -17.5813995859496 -265000 ekin = 1.9256244934252 | erot = 2.50003397851261 | epot = -21.7368613865555 | etot = -17.3112029146177 -266000 ekin = 2.39663137918843 | erot = 3.25281234980079 | epot = -21.6911624005759 | etot = -16.0417186715867 -267000 ekin = 1.71138772864696 | erot = 2.23669516146945 | epot = -21.656773778734 | etot = -17.7086908886176 -268000 ekin = 2.1012342991695 | erot = 3.22431689054768 | epot = -21.6149417342532 | etot = -16.289390544536 -269000 ekin = 1.96288847894507 | erot = 2.78695129937916 | epot = -21.5074378362073 | etot = -16.7575980578831 -270000 ekin = 2.11352321718224 | erot = 2.66970769590072 | epot = -21.4082402788558 | etot = -16.6250093657728 -271000 ekin = 2.187367149063 | erot = 3.10651896358249 | epot = -21.2262888361409 | etot = -15.9324027234954 -272000 ekin = 2.53123659603481 | erot = 2.28031086814788 | epot = -21.0667233503151 | etot = -16.2551758861324 -273000 ekin = 1.93620978534757 | erot = 1.99248019508239 | epot = -21.0024789385132 | etot = -17.0737889580832 -274000 ekin = 1.90995249837777 | erot = 2.21197524437096 | epot = -21.0425035783664 | etot = -16.9205758356177 -275000 ekin = 1.7924862003403 | erot = 3.10053081821809 | epot = -21.0804706135493 | etot = -16.1874535949909 -276000 ekin = 3.35665649861731 | erot = 2.41114048919769 | epot = -21.0250329806457 | etot = -15.2572359928307 -277000 ekin = 2.41733347319127 | erot = 1.50728350741789 | epot = -20.9704854598112 | etot = -17.045868479202 -278000 ekin = 2.53927407792784 | erot = 2.14772203209251 | epot = -20.9597795409701 | etot = -16.2727834309497 -279000 ekin = 1.9086257726176 | erot = 2.39006859456279 | epot = -20.9691625784233 | etot = -16.6704682112429 -280000 ekin = 2.3712715434438 | erot = 3.59520758009785 | epot = -20.8511344732567 | etot = -14.884655349715 -281000 ekin = 1.76900280298917 | erot = 1.79532059184944 | epot = -20.9241533960326 | etot = -17.3598300011939 -282000 ekin = 2.27081772250325 | erot = 3.05002296036257 | epot = -20.8869696699162 | etot = -15.5661289870504 -283000 ekin = 2.18678338225262 | erot = 2.20808584908431 | epot = -20.8425952687799 | etot = -16.4477260374429 -284000 ekin = 1.91967212543913 | erot = 2.20885942937705 | epot = -20.8702716845898 | etot = -16.7417401297736 -285000 ekin = 3.15534421247094 | erot = 1.80733118017555 | epot = -21.0506046634905 | etot = -16.0879292708441 -286000 ekin = 3.87414654801577 | erot = 1.83540293712377 | epot = -21.2318072144161 | etot = -15.5222577292766 -287000 ekin = 3.65199335032365 | erot = 2.91368616965972 | epot = -21.3038992633635 | etot = -14.7382197433801 -288000 ekin = 3.25566938715965 | erot = 1.61414633945368 | epot = -21.2971542306353 | etot = -16.427338504022 -289000 ekin = 2.57263419624199 | erot = 2.78652542009298 | epot = -21.270831111226 | etot = -15.911671494891 -290000 ekin = 2.70850264399552 | erot = 2.41920167874741 | epot = -21.2832461285427 | etot = -16.1555418057998 -291000 ekin = 2.06015522240602 | erot = 2.36096794039798 | epot = -21.2800181616414 | etot = -16.8588949988374 -292000 ekin = 2.28565579809197 | erot = 2.0492309975275 | epot = -21.3390392809808 | etot = -17.0041524853614 -293000 ekin = 2.24969697991474 | erot = 2.35258801570063 | epot = -21.4487457699855 | etot = -16.8464607743701 -294000 ekin = 2.93116374685755 | erot = 2.88908330420809 | epot = -21.5301464521074 | etot = -15.7098994010417 -295000 ekin = 2.66799463567933 | erot = 2.29137040664776 | epot = -21.6929279927361 | etot = -16.733562950409 -296000 ekin = 2.20703557359524 | erot = 2.91779932622371 | epot = -21.745669704948 | etot = -16.6208348051291 -297000 ekin = 2.17709774147519 | erot = 3.31374313109423 | epot = -21.7393959864692 | etot = -16.2485551138997 -298000 ekin = 2.9129468421301 | erot = 2.35672300219859 | epot = -21.6957115365355 | etot = -16.4260416922068 -299000 ekin = 3.16776997287189 | erot = 2.2391818507998 | epot = -21.8064946029841 | etot = -16.3995427793124 -300000 ekin = 3.29561200430319 | erot = 1.38909463218868 | epot = -21.88075107193 | etot = -17.1960444354381 -301000 ekin = 2.38366117761117 | erot = 3.3087020645508 | epot = -21.8991772346975 | etot = -16.2068139925356 -302000 ekin = 2.92578534773873 | erot = 3.24773085922143 | epot = -21.8654359309133 | etot = -15.6919197239531 -303000 ekin = 2.41046706286872 | erot = 2.62044101440911 | epot = -21.8547021809442 | etot = -16.8237941036664 -304000 ekin = 2.22973717088315 | erot = 2.69550632779805 | epot = -21.7935318306645 | etot = -16.8682883319833 -305000 ekin = 2.37917924648061 | erot = 2.39025207841258 | epot = -21.7682058013904 | etot = -16.9987744764972 -306000 ekin = 1.94479260294372 | erot = 2.89926351945751 | epot = -21.7686335450968 | etot = -16.9245774226955 -307000 ekin = 2.51329193607427 | erot = 2.07893464323809 | epot = -21.710948391274 | etot = -17.1187218119617 -308000 ekin = 2.81355602400968 | erot = 2.63100444247636 | epot = -21.7026983871469 | etot = -16.2581379206609 -309000 ekin = 2.33327686418279 | erot = 2.12127029003217 | epot = -21.6762127568296 | etot = -17.2216656026146 -310000 ekin = 2.52298184126179 | erot = 3.21591454963617 | epot = -21.695142164932 | etot = -15.956245774034 -311000 ekin = 2.34923515117596 | erot = 3.03949532400544 | epot = -21.7087574865082 | etot = -16.3200270113268 -312000 ekin = 1.8269200765792 | erot = 3.25879908323384 | epot = -21.581493453196 | etot = -16.495774293383 -313000 ekin = 1.63600964511319 | erot = 2.08094899400482 | epot = -21.606397547734 | etot = -17.889438908616 -314000 ekin = 2.27293762564082 | erot = 2.5685903273234 | epot = -21.6199211148905 | etot = -16.7783931619263 -315000 ekin = 2.5313505044608 | erot = 2.13255412771189 | epot = -21.6994892370102 | etot = -17.0355846048375 -316000 ekin = 1.99528950863063 | erot = 1.8009779719585 | epot = -21.7144101219026 | etot = -17.9181426413135 -317000 ekin = 2.11352183168035 | erot = 2.00935618346838 | epot = -21.702888210866 | etot = -17.5800101957173 -318000 ekin = 2.29665458459675 | erot = 1.9218837801722 | epot = -21.6711519227436 | etot = -17.4526135579747 -319000 ekin = 1.98093881438111 | erot = 1.68246475076764 | epot = -21.5680359341469 | etot = -17.9046323689982 -320000 ekin = 2.46251923881396 | erot = 3.07047264047418 | epot = -21.5096210718397 | etot = -15.9766291925515 -321000 ekin = 1.85318841838943 | erot = 2.6741946235276 | epot = -21.5386927047478 | etot = -17.0113096628308 -322000 ekin = 1.94542919328061 | erot = 3.36132448976007 | epot = -21.462118312038 | etot = -16.1553646289973 -323000 ekin = 1.92568445593302 | erot = 2.08578688156951 | epot = -21.4990899081635 | etot = -17.487618570661 -324000 ekin = 2.21374645511898 | erot = 2.45979330983641 | epot = -21.6010648344435 | etot = -16.9275250694881 -325000 ekin = 2.71973630116966 | erot = 2.37178970012744 | epot = -21.712426807882 | etot = -16.6209008065849 -326000 ekin = 1.88824000887386 | erot = 1.92165807946833 | epot = -21.7667410841736 | etot = -17.9568429958315 -327000 ekin = 3.03069091411613 | erot = 1.66905303717587 | epot = -21.8444186282852 | etot = -17.1446746769932 -328000 ekin = 2.74111841160537 | erot = 1.91707691036631 | epot = -21.8825192055331 | etot = -17.2243238835614 -329000 ekin = 2.94134490087235 | erot = 3.13982603162578 | epot = -21.9373718647512 | etot = -15.8562009322531 -330000 ekin = 2.91659917154128 | erot = 2.01302494652939 | epot = -21.9334919050175 | etot = -17.0038677869468 -331000 ekin = 2.28401437900765 | erot = 2.04959290659006 | epot = -21.9235871145697 | etot = -17.589979828972 -332000 ekin = 2.41477240701933 | erot = 3.18206286535344 | epot = -21.9762685570111 | etot = -16.3794332846383 -333000 ekin = 2.45632306729147 | erot = 2.70981698021117 | epot = -22.0802863854372 | etot = -16.9141463379346 -334000 ekin = 2.37343096192712 | erot = 2.99538841337669 | epot = -22.1169059815891 | etot = -16.7480866062853 -335000 ekin = 2.11258102220993 | erot = 3.56563799589785 | epot = -22.1589708630881 | etot = -16.4807518449803 -336000 ekin = 2.63443561655341 | erot = 2.12835506840877 | epot = -22.135253476801 | etot = -17.3724627918388 -337000 ekin = 2.74032565197819 | erot = 2.73568544119591 | epot = -22.1162186765824 | etot = -16.6402075834083 -338000 ekin = 1.84481246769261 | erot = 2.23462418681718 | epot = -22.1932263562086 | etot = -18.1137897016988 -339000 ekin = 1.56179484671187 | erot = 2.48907003494865 | epot = -22.2362997512502 | etot = -18.1854348695896 -340000 ekin = 1.46400835747893 | erot = 4.0512188877133 | epot = -22.1550062300509 | etot = -16.6397789848587 -341000 ekin = 1.68583362524713 | erot = 2.79345882658496 | epot = -22.1357452359775 | etot = -17.6564527841454 -342000 ekin = 1.96314395645267 | erot = 2.74466248035308 | epot = -22.1973030330981 | etot = -17.4894965962924 -343000 ekin = 2.66788553126356 | erot = 3.18183761806682 | epot = -22.2887136544829 | etot = -16.4389905051526 -344000 ekin = 1.78884972348303 | erot = 2.18066038812641 | epot = -22.3196903631289 | etot = -18.3501802515195 -345000 ekin = 1.54101094076145 | erot = 1.85848281555012 | epot = -22.3637723164297 | etot = -18.9642785601181 -346000 ekin = 1.69292596460904 | erot = 1.8080316670706 | epot = -22.3281555406487 | etot = -18.827197908969 -347000 ekin = 1.37586220035546 | erot = 2.61615920278041 | epot = -22.3502414839316 | etot = -18.3582200807958 -348000 ekin = 2.1379756238867 | erot = 2.8590037384953 | epot = -22.3431546343773 | etot = -17.3461752719953 -349000 ekin = 1.82920941743142 | erot = 1.97683001829644 | epot = -22.358647853278 | etot = -18.5526084175502 -350000 ekin = 1.78940567302629 | erot = 2.50961291060183 | epot = -22.3435711705442 | etot = -18.0445525869161 -351000 ekin = 1.68761490497198 | erot = 2.81740261848487 | epot = -22.413948353252 | etot = -17.9089308297951 -352000 ekin = 2.77021596792832 | erot = 2.15256490237832 | epot = -22.5845859351651 | etot = -17.6618050648585 -353000 ekin = 3.56514294827437 | erot = 1.46623266587274 | epot = -22.6366139885995 | etot = -17.6052383744524 -354000 ekin = 3.44768413783611 | erot = 2.2508741161152 | epot = -22.5521676274445 | etot = -16.8536093734932 -355000 ekin = 2.0339222695118 | erot = 2.90917743936019 | epot = -22.5104712522892 | etot = -17.5673715434172 -356000 ekin = 2.10642401704757 | erot = 3.31919387591753 | epot = -22.5408670189009 | etot = -17.1152491259358 -357000 ekin = 2.76519653125328 | erot = 2.50858960423796 | epot = -22.5185760247454 | etot = -17.2447898892542 -358000 ekin = 2.5374658712045 | erot = 2.2647702680074 | epot = -22.5067305203673 | etot = -17.7044943811554 -359000 ekin = 3.23575918003202 | erot = 2.52804611996866 | epot = -22.5983600193657 | etot = -16.834554719365 -360000 ekin = 2.59182745067507 | erot = 1.97199586910126 | epot = -22.6431957503706 | etot = -18.0793724305942 -361000 ekin = 2.61187422629997 | erot = 2.50384597992352 | epot = -22.6889255875949 | etot = -17.5732053813714 -362000 ekin = 2.38478129908564 | erot = 3.84225576928699 | epot = -22.6416012117121 | etot = -16.4145641433395 -363000 ekin = 2.88499903144359 | erot = 1.98712884581536 | epot = -22.5277585455565 | etot = -17.6556306682975 -364000 ekin = 2.24472586183289 | erot = 1.87849655022233 | epot = -22.4027818145434 | etot = -18.2795594024882 -365000 ekin = 2.04314188489358 | erot = 2.81001232738016 | epot = -22.2276048128305 | etot = -17.3744506005568 -366000 ekin = 2.26658685631362 | erot = 1.95650208645697 | epot = -22.1895525177766 | etot = -17.966463575006 -367000 ekin = 2.81568040956379 | erot = 2.51870737095405 | epot = -22.2465449976265 | etot = -16.9121572171087 -368000 ekin = 2.81607406017701 | erot = 2.1866718839128 | epot = -22.3661835489406 | etot = -17.3634376048508 -369000 ekin = 2.31666862853353 | erot = 2.84859903953565 | epot = -22.4308123375305 | etot = -17.2655446694613 -370000 ekin = 2.66612981804874 | erot = 2.10389084208224 | epot = -22.505799930102 | etot = -17.7357792699711 -371000 ekin = 2.19552758440374 | erot = 3.61117481442869 | epot = -22.5711545036622 | etot = -16.7644521048298 -372000 ekin = 1.77345963407765 | erot = 3.42406482157981 | epot = -22.66405706261 | etot = -17.4665326069525 -373000 ekin = 2.14860861324314 | erot = 2.79097682151395 | epot = -22.7141452937347 | etot = -17.7745598589776 -374000 ekin = 2.69445806056395 | erot = 3.57889438136966 | epot = -22.860153056641 | etot = -16.5868006147074 -375000 ekin = 2.40579827793462 | erot = 2.98564029581681 | epot = -22.9188993843038 | etot = -17.5274608105523 -376000 ekin = 3.36516934625557 | erot = 3.24766546156016 | epot = -22.940715917868 | etot = -16.3278811100523 -377000 ekin = 3.18983781467362 | erot = 2.65450417571542 | epot = -22.8850374180386 | etot = -17.0406954276496 -378000 ekin = 1.54656075265338 | erot = 2.66317423977111 | epot = -22.8855901030291 | etot = -18.6758551106046 -379000 ekin = 1.93839150288505 | erot = 2.54534031143981 | epot = -22.9043634096536 | etot = -18.4206315953288 -380000 ekin = 2.66254728899606 | erot = 2.88892403669479 | epot = -22.9338385289327 | etot = -17.3823672032419 -381000 ekin = 2.95357480274557 | erot = 2.1770881328374 | epot = -22.9777297037143 | etot = -17.8470667681313 -382000 ekin = 2.58828801972808 | erot = 2.01895528744468 | epot = -22.9240694006084 | etot = -18.3168260934356 -383000 ekin = 2.01537544096934 | erot = 2.50444896556415 | epot = -22.9471970402487 | etot = -18.4273726337152 -384000 ekin = 2.1008854766715 | erot = 2.19856058469132 | epot = -22.9599217884816 | etot = -18.6604757271188 -385000 ekin = 1.91384966632105 | erot = 1.63022965207194 | epot = -22.9760629278411 | etot = -19.4319836094481 -386000 ekin = 1.56010650102716 | erot = 1.35861854215736 | epot = -23.0225779741027 | etot = -20.1038529309182 -387000 ekin = 2.21264194719196 | erot = 1.75007226671446 | epot = -23.0228562328387 | etot = -19.0601420189323 -388000 ekin = 1.98740987493218 | erot = 1.95984350341523 | epot = -22.9305477811724 | etot = -18.983294402825 -389000 ekin = 2.54192883121441 | erot = 2.33922416322361 | epot = -22.9249127695712 | etot = -18.0437597751332 -390000 ekin = 2.07846479778646 | erot = 1.88716644515798 | epot = -22.8328701541731 | etot = -18.8672389112287 -391000 ekin = 1.85214179314428 | erot = 2.41299153787073 | epot = -22.7996788423596 | etot = -18.5345455113446 -392000 ekin = 2.1990161201673 | erot = 2.89998817237143 | epot = -22.7987091159473 | etot = -17.6997048234086 -393000 ekin = 2.15260515278705 | erot = 3.19524728171092 | epot = -22.8896620280071 | etot = -17.5418095935092 -394000 ekin = 1.99225032343945 | erot = 2.14729304405154 | epot = -22.8800416390029 | etot = -18.7404982715119 -395000 ekin = 2.03378474286714 | erot = 2.5027536840914 | epot = -22.9316292594111 | etot = -18.3950908324525 -396000 ekin = 2.1438632384243 | erot = 1.95894279389406 | epot = -23.0275362016084 | etot = -18.92473016929 -397000 ekin = 2.3982267029558 | erot = 1.6520465154777 | epot = -23.1343663061977 | etot = -19.0840930877642 -398000 ekin = 3.58481792746973 | erot = 2.51392910802386 | epot = -23.2457545351658 | etot = -17.1470074996722 -399000 ekin = 2.65690049350562 | erot = 1.78819644367598 | epot = -23.3515850649259 | etot = -18.9064881277443 -400000 ekin = 2.51173640894656 | erot = 2.10904826584645 | epot = -23.4207879652203 | etot = -18.8000032904273 -401000 ekin = 2.051233917874 | erot = 2.1536921336815 | epot = -23.4762000730604 | etot = -19.2712740215049 -402000 ekin = 2.43380846674055 | erot = 2.11259263785444 | epot = -23.4648112610383 | etot = -18.9184101564433 -403000 ekin = 2.53609107080855 | erot = 2.81280118329428 | epot = -23.5344895971956 | etot = -18.1855973430928 -404000 ekin = 2.18209195546023 | erot = 2.63706526020475 | epot = -23.6211046727682 | etot = -18.8019474571032 -405000 ekin = 2.45129457425945 | erot = 2.40500271478244 | epot = -23.6324000926426 | etot = -18.7761028036007 -406000 ekin = 2.21962265364597 | erot = 2.24914950938542 | epot = -23.6519777970511 | etot = -19.1832056340197 -407000 ekin = 1.98553912077512 | erot = 2.77856927236326 | epot = -23.557236944138 | etot = -18.7931285509997 -408000 ekin = 2.57635800289226 | erot = 2.58086436198046 | epot = -23.4362831006766 | etot = -18.2790607358039 -409000 ekin = 2.36933136766419 | erot = 2.25922617215654 | epot = -23.3257538962906 | etot = -18.6971963564699 -410000 ekin = 2.02248038283451 | erot = 1.96486213113069 | epot = -23.3085205990924 | etot = -19.3211780851272 -411000 ekin = 1.8788974806599 | erot = 2.6514468933077 | epot = -23.288114132028 | etot = -18.7577697580604 -412000 ekin = 1.99373261308744 | erot = 2.68967710559433 | epot = -23.2520689125676 | etot = -18.5686591938858 -413000 ekin = 2.38901265794743 | erot = 2.64559329464322 | epot = -23.1974799245766 | etot = -18.1628739719859 -414000 ekin = 2.42764537426657 | erot = 1.75171638842505 | epot = -23.1227256481796 | etot = -18.943363885488 -415000 ekin = 2.76411872449006 | erot = 2.44214574701597 | epot = -23.1777400120228 | etot = -17.9714755405168 -416000 ekin = 2.08293620051845 | erot = 2.76581176915863 | epot = -23.186622003278 | etot = -18.337874033601 -417000 ekin = 1.99975250190993 | erot = 1.9578721634496 | epot = -23.1905597787985 | etot = -19.2329351134389 -418000 ekin = 2.38311403931269 | erot = 2.55890369849375 | epot = -23.1547990589628 | etot = -18.2127813211564 -419000 ekin = 2.98411599395291 | erot = 2.57059785409318 | epot = -23.0506701290817 | etot = -17.4959562810356 -420000 ekin = 2.60188910540588 | erot = 2.46051136519661 | epot = -22.9584750453702 | etot = -17.8960745747677 -421000 ekin = 2.51721839958931 | erot = 1.77803097918895 | epot = -22.9478270423399 | etot = -18.6525776635616 -422000 ekin = 2.73215994330404 | erot = 1.67289719515518 | epot = -22.9366997516619 | etot = -18.5316426132027 -423000 ekin = 2.13301592734426 | erot = 2.54982791014141 | epot = -22.8120609726708 | etot = -18.1292171351851 -424000 ekin = 1.90609667850123 | erot = 2.31895806505094 | epot = -22.7750025410849 | etot = -18.5499477975327 -425000 ekin = 2.37363345292966 | erot = 1.95591998920184 | epot = -22.7837602756269 | etot = -18.4542068334954 -426000 ekin = 2.23506150102974 | erot = 2.60957702289923 | epot = -22.8034248715963 | etot = -17.9587863476673 -427000 ekin = 1.8858071920588 | erot = 2.12670154749625 | epot = -22.9703036100131 | etot = -18.957794870458 -428000 ekin = 1.93190556918249 | erot = 2.45435859297294 | epot = -23.1028032345637 | etot = -18.7165390724082 -429000 ekin = 1.72625681322915 | erot = 2.16391616195066 | epot = -23.1169612720762 | etot = -19.2267882968964 -430000 ekin = 2.31229851925652 | erot = 2.14059498772528 | epot = -23.123947656521 | etot = -18.6710541495392 -431000 ekin = 2.45856801873639 | erot = 2.41565239614123 | epot = -23.1343729492306 | etot = -18.260152534353 -432000 ekin = 2.80045086542028 | erot = 2.19133218252703 | epot = -23.1425691977264 | etot = -18.1507861497791 -433000 ekin = 2.20382151693237 | erot = 1.62233615534329 | epot = -23.186811655719 | etot = -19.3606539834433 -434000 ekin = 2.5912014730388 | erot = 2.35257474145033 | epot = -23.2139624944838 | etot = -18.2701862799947 -435000 ekin = 2.292878018016 | erot = 2.54026793769998 | epot = -23.1933803471397 | etot = -18.3602343914237 -436000 ekin = 2.43255475285637 | erot = 2.74965402216776 | epot = -23.2431213562246 | etot = -18.0609125812005 -437000 ekin = 1.64425595993858 | erot = 3.23323066283653 | epot = -23.2344898707627 | etot = -18.3570032479876 -438000 ekin = 1.56118873048903 | erot = 2.60253121414272 | epot = -23.1306562811571 | etot = -18.9669363365254 -439000 ekin = 2.30492577643288 | erot = 1.9389279713903 | epot = -23.1381949153658 | etot = -18.8943411675426 -440000 ekin = 2.52026113610471 | erot = 3.04666677428385 | epot = -23.1986879717886 | etot = -17.6317600614 -441000 ekin = 2.79914634628251 | erot = 2.54581028632591 | epot = -23.1725956938593 | etot = -17.8276390612509 -442000 ekin = 2.93509023618977 | erot = 2.87676477127226 | epot = -23.1159592458781 | etot = -17.304104238416 -443000 ekin = 1.96857488695096 | erot = 1.76444429617767 | epot = -23.0441054580414 | etot = -19.3110862749127 -444000 ekin = 2.00750191739409 | erot = 2.2534047751145 | epot = -22.9735423472635 | etot = -18.712635654755 -445000 ekin = 2.22546986952724 | erot = 2.06326830023309 | epot = -22.8095964231444 | etot = -18.5208582533841 -446000 ekin = 2.4450124715022 | erot = 2.3730159305034 | epot = -22.7149791043001 | etot = -17.8969507022945 -447000 ekin = 2.27692613820669 | erot = 2.40593386102284 | epot = -22.7350457195192 | etot = -18.0521857202897 -448000 ekin = 2.17715994902024 | erot = 1.93996223845971 | epot = -22.8484345777469 | etot = -18.7313123902669 -449000 ekin = 2.2196798712192 | erot = 2.34285870025318 | epot = -22.938199826666 | etot = -18.3756612551936 -450000 ekin = 2.75054977353848 | erot = 1.97938557871968 | epot = -22.8928697422248 | etot = -18.1629343899666 -451000 ekin = 2.21115355148631 | erot = 2.13373186546172 | epot = -22.9268989776618 | etot = -18.5820135607137 -452000 ekin = 2.54346617380347 | erot = 2.35731335928095 | epot = -22.9645722362833 | etot = -18.0637927031988 -453000 ekin = 2.2284644335428 | erot = 1.78504863466535 | epot = -22.9494030803646 | etot = -18.9358900121564 -454000 ekin = 2.43981950788672 | erot = 2.59540327726185 | epot = -22.8784508334485 | etot = -17.8432280482999 -455000 ekin = 2.04589395219366 | erot = 2.7960521140105 | epot = -22.6640287607136 | etot = -17.8220826945095 -456000 ekin = 2.02066497153519 | erot = 2.51421900073603 | epot = -22.4777086012038 | etot = -17.9428246289326 -457000 ekin = 2.62428771899347 | erot = 2.43881206937848 | epot = -22.3598178635714 | etot = -17.2967180751994 -458000 ekin = 2.00990487485324 | erot = 1.99234707595584 | epot = -22.2532334283702 | etot = -18.2509814775611 -459000 ekin = 1.75250109782347 | erot = 2.49689893971802 | epot = -22.2437782516535 | etot = -17.994378214112 -460000 ekin = 1.9190487289221 | erot = 2.07624013444807 | epot = -22.2370852343625 | etot = -18.2417963709923 -461000 ekin = 1.56836892852198 | erot = 1.28974645955658 | epot = -22.2063748439499 | etot = -19.3482594558713 -462000 ekin = 2.45168650095568 | erot = 1.36025556758079 | epot = -22.3059327256893 | etot = -18.4939906571528 -463000 ekin = 2.64349639743884 | erot = 2.07826809667296 | epot = -22.4269210824658 | etot = -17.705156588354 -464000 ekin = 2.67294933942793 | erot = 3.73619931212747 | epot = -22.5513294295021 | etot = -16.1421807779467 -465000 ekin = 1.95387776347697 | erot = 2.23929165445271 | epot = -22.7354276602965 | etot = -18.5422582423668 -466000 ekin = 2.13358131772513 | erot = 2.9628231040371 | epot = -22.8413443832467 | etot = -17.7449399614844 -467000 ekin = 2.46622692687387 | erot = 2.11619893803783 | epot = -23.0236293811154 | etot = -18.4412035162037 -468000 ekin = 1.99045166389675 | erot = 1.6285380006184 | epot = -23.0932840681895 | etot = -19.4742944036743 -469000 ekin = 2.49670871865504 | erot = 2.63664907892974 | epot = -23.1383213964888 | etot = -18.0049635989041 -470000 ekin = 2.92207685554493 | erot = 3.21710942124273 | epot = -23.1429890223789 | etot = -17.0038027455912 -471000 ekin = 2.36481422254557 | erot = 1.72322177619039 | epot = -23.1018283304032 | etot = -19.0137923316673 -472000 ekin = 2.18517765615792 | erot = 2.00241070370021 | epot = -23.0699010011102 | etot = -18.8823126412521 -473000 ekin = 2.37141527291476 | erot = 2.86124879212049 | epot = -23.0301508899776 | etot = -17.7974868249423 -474000 ekin = 2.18573397152438 | erot = 2.60055996125085 | epot = -22.9109845829656 | etot = -18.1246906501904 -475000 ekin = 2.39664419497567 | erot = 2.01359105802913 | epot = -22.8103966693808 | etot = -18.400161416376 -476000 ekin = 2.106779684052 | erot = 2.60326535898524 | epot = -22.8093298667681 | etot = -18.0992848237309 -477000 ekin = 2.53303116397527 | erot = 3.55507509768021 | epot = -22.7929172799516 | etot = -16.7048110182962 -478000 ekin = 2.40644412232746 | erot = 2.73235251079285 | epot = -22.7008644942783 | etot = -17.562067861158 -479000 ekin = 1.2774884884165 | erot = 2.99242202231977 | epot = -22.6580451660686 | etot = -18.3881346553323 -480000 ekin = 1.82378442133505 | erot = 2.13912569674403 | epot = -22.6273806665075 | etot = -18.6644705484284 -481000 ekin = 2.38794676527735 | erot = 3.18394268862154 | epot = -22.652698250081 | etot = -17.0808087961821 -482000 ekin = 3.20103552737715 | erot = 2.41980408559651 | epot = -22.6098898945504 | etot = -16.9890502815768 -483000 ekin = 3.03840673317681 | erot = 2.48624445057528 | epot = -22.5747152180487 | etot = -17.0500640342966 -484000 ekin = 2.70186903599877 | erot = 2.52680102607677 | epot = -22.6043659240374 | etot = -17.3756958619618 -485000 ekin = 3.27237676088605 | erot = 2.42435226331311 | epot = -22.5971021698101 | etot = -16.9003731456109 -486000 ekin = 1.96601696665902 | erot = 1.75893246838797 | epot = -22.6399989280022 | etot = -18.9150494929552 -487000 ekin = 2.62348602949564 | erot = 2.50764223408898 | epot = -22.7315097398775 | etot = -17.6003814762928 -488000 ekin = 1.75208653704965 | erot = 2.64490018417003 | epot = -22.7893685606217 | etot = -18.3923818394021 -489000 ekin = 2.08736451702833 | erot = 2.95231225184179 | epot = -22.8795542371813 | etot = -17.8398774683112 -490000 ekin = 2.30758266641326 | erot = 2.33160202425018 | epot = -22.8824154392574 | etot = -18.2432307485939 -491000 ekin = 2.48198002403303 | erot = 2.59526090835888 | epot = -22.8753520101327 | etot = -17.7981110777408 -492000 ekin = 3.28206840084522 | erot = 2.18523064608534 | epot = -22.8554585939889 | etot = -17.3881595470583 -493000 ekin = 3.37968205627646 | erot = 2.35359230702798 | epot = -22.802471593836 | etot = -17.0691972305315 -494000 ekin = 3.57469694905841 | erot = 2.2485639294812 | epot = -22.8021092664721 | etot = -16.9788483879325 -495000 ekin = 2.5052834294994 | erot = 2.15847696242519 | epot = -22.7974611109899 | etot = -18.1337007190653 -496000 ekin = 1.95424552563439 | erot = 3.58261919463167 | epot = -22.8351163728141 | etot = -17.298251652548 -497000 ekin = 2.22184693843012 | erot = 2.46505638343575 | epot = -22.8411234790096 | etot = -18.1542201571438 -498000 ekin = 1.72646972661644 | erot = 2.39649152448662 | epot = -22.7771984845447 | etot = -18.6542372334417 -499000 ekin = 2.44587532386558 | erot = 2.82724443292545 | epot = -22.7933140861756 | etot = -17.5201943293846 -500000 ekin = 2.78510450558426 | erot = 2.23272713529476 | epot = -22.8971262576266 | etot = -17.8792946167476 -501000 ekin = 2.99437147790547 | erot = 1.97777660143103 | epot = -22.9259326262666 | etot = -17.9537845469301 -502000 ekin = 2.98620318494749 | erot = 1.79968012191087 | epot = -22.9540905110158 | etot = -18.1682072041574 -503000 ekin = 2.51500641896251 | erot = 2.88866029010492 | epot = -22.9837264072572 | etot = -17.5800596981898 -504000 ekin = 2.84385497746759 | erot = 2.69349274825329 | epot = -22.9149904805499 | etot = -17.377642754829 -505000 ekin = 2.95574835602088 | erot = 2.6026753799514 | epot = -22.9888007816538 | etot = -17.4303770456815 -506000 ekin = 2.19820711369971 | erot = 1.96723089641087 | epot = -23.0300125090253 | etot = -18.8645744989147 -507000 ekin = 2.26258673474996 | erot = 2.70466389763239 | epot = -22.9957070923465 | etot = -18.0284564599641 -508000 ekin = 2.63638196787186 | erot = 2.05040146648131 | epot = -23.0074182438498 | etot = -18.3206348094966 -509000 ekin = 2.941534357322 | erot = 2.9116561510807 | epot = -23.0604926861274 | etot = -17.2073021777247 -510000 ekin = 2.26261998090286 | erot = 2.81560695024321 | epot = -23.1751735881193 | etot = -18.0969466569732 -511000 ekin = 2.89882203877689 | erot = 2.15644204743089 | epot = -23.2976829651598 | etot = -18.242418878952 -512000 ekin = 2.18248507908123 | erot = 2.32471465184078 | epot = -23.3729111641778 | etot = -18.8657114332558 -513000 ekin = 1.69088054596992 | erot = 2.87837634409229 | epot = -23.3827433252491 | etot = -18.8134864351869 -514000 ekin = 1.72555879339418 | erot = 2.33322715253437 | epot = -23.3782683624831 | etot = -19.3194824165546 -515000 ekin = 1.99840271010263 | erot = 1.80256652461596 | epot = -23.3732611472924 | etot = -19.5722919125738 -516000 ekin = 3.02857447051151 | erot = 1.5400404903518 | epot = -23.3371239983442 | etot = -18.7685090374808 -517000 ekin = 2.46355229218044 | erot = 2.11387593279357 | epot = -23.3120503202835 | etot = -18.7346220953095 -518000 ekin = 2.03623914203692 | erot = 2.51801359135206 | epot = -23.2489994054059 | etot = -18.6947466720169 -519000 ekin = 1.58667253859857 | erot = 1.63211503072947 | epot = -23.2067561094409 | etot = -19.9879685401128 -520000 ekin = 2.16324608146533 | erot = 1.89657617078696 | epot = -23.2082678544253 | etot = -19.148445602173 -521000 ekin = 1.97686811359425 | erot = 2.0872712571421 | epot = -23.2512754061872 | etot = -19.1871360354508 -522000 ekin = 2.69830866187618 | erot = 2.1956248060682 | epot = -23.3119120700689 | etot = -18.4179786021245 -523000 ekin = 2.24785090987913 | erot = 1.67440253273743 | epot = -23.3589880036331 | etot = -19.4367345610165 -524000 ekin = 2.34889284001673 | erot = 2.1007910786486 | epot = -23.3797580192055 | etot = -18.9300741005401 -525000 ekin = 2.13149576225198 | erot = 2.0723725435025 | epot = -23.4380051055748 | etot = -19.2341367998203 -526000 ekin = 2.50239998087446 | erot = 2.25424985364477 | epot = -23.4972589637756 | etot = -18.7406091292563 -527000 ekin = 3.03515775223167 | erot = 1.80505768055502 | epot = -23.554671119079 | etot = -18.7144556862923 -528000 ekin = 2.5608174763548 | erot = 2.54328225738986 | epot = -23.5720157710688 | etot = -18.4679160373241 -529000 ekin = 2.37506941472445 | erot = 1.93007818421908 | epot = -23.5564414475786 | etot = -19.251293848635 -530000 ekin = 3.3419677281169 | erot = 3.41384036164691 | epot = -23.4493550232615 | etot = -16.6935469334977 -531000 ekin = 2.4235092053109 | erot = 2.35978294499845 | epot = -23.1490536179472 | etot = -18.3657614676379 -532000 ekin = 2.58896799590229 | erot = 1.86978691602605 | epot = -23.165039392045 | etot = -18.7062844801167 -533000 ekin = 2.18027058294701 | erot = 2.16031799038535 | epot = -23.3790946936929 | etot = -19.0385061203605 -534000 ekin = 2.3479868128811 | erot = 2.0385286250955 | epot = -23.4622625656644 | etot = -19.0757471276878 -535000 ekin = 2.3782313722319 | erot = 2.07392590496072 | epot = -23.4816815929821 | etot = -19.0295243157895 -536000 ekin = 2.46212862766406 | erot = 1.89477230721272 | epot = -23.4656032882526 | etot = -19.1087023533758 -537000 ekin = 1.71194009451629 | erot = 2.13445451003515 | epot = -23.5539827524157 | etot = -19.7075881478642 -538000 ekin = 2.16675831406369 | erot = 2.76561566966347 | epot = -23.6593643234718 | etot = -18.7269903397447 -539000 ekin = 2.16624212273309 | erot = 2.29113017698322 | epot = -23.7362705602946 | etot = -19.2788982605782 -540000 ekin = 2.37614209115086 | erot = 1.63783384730145 | epot = -23.7311087126642 | etot = -19.7171327742119 -541000 ekin = 2.61201729538231 | erot = 2.5250031626081 | epot = -23.6609998128446 | etot = -18.5239793548541 -542000 ekin = 2.72899828578995 | erot = 2.10988741791456 | epot = -23.6987729418172 | etot = -18.8598872381126 -543000 ekin = 2.72077400162185 | erot = 1.85643651604112 | epot = -23.6056812049309 | etot = -19.0284706872679 -544000 ekin = 2.11785692900505 | erot = 1.50578231047403 | epot = -23.581427161181 | etot = -19.9577879217019 -545000 ekin = 1.70786262657811 | erot = 2.5699332427333 | epot = -23.5821026874923 | etot = -19.3043068181809 -546000 ekin = 2.38060529409929 | erot = 1.86647004671163 | epot = -23.6101839511561 | etot = -19.3631086103452 -547000 ekin = 2.4524914794752 | erot = 2.45758863876476 | epot = -23.659961725937 | etot = -18.749881607697 -548000 ekin = 2.39048922197387 | erot = 2.39595923181893 | epot = -23.672341518051 | etot = -18.8858930642582 -549000 ekin = 2.59237109487195 | erot = 2.03286301955741 | epot = -23.663402955197 | etot = -19.0381688407676 -550000 ekin = 1.99326412841577 | erot = 1.84900416370414 | epot = -23.6657646794243 | etot = -19.8234963873044 -551000 ekin = 2.44897958881949 | erot = 2.02189459200062 | epot = -23.6223977807006 | etot = -19.1515235998805 -552000 ekin = 2.69506011124378 | erot = 1.4087045289661 | epot = -23.4598817431801 | etot = -19.3561171029703 -553000 ekin = 1.7614112496816 | erot = 2.61025745472483 | epot = -23.2534851194706 | etot = -18.8818164150642 -554000 ekin = 2.30413102985308 | erot = 2.33068531989324 | epot = -23.2170368597895 | etot = -18.5822205100432 -555000 ekin = 3.27044533046142 | erot = 1.64227498681914 | epot = -23.1963457102547 | etot = -18.2836253929742 -556000 ekin = 2.90315678132448 | erot = 2.59895742246943 | epot = -23.1450725642432 | etot = -17.6429583604493 -557000 ekin = 2.91669736278429 | erot = 3.16406737832137 | epot = -23.1449528769861 | etot = -17.0641881358805 -558000 ekin = 2.82900232701285 | erot = 2.71147852622196 | epot = -23.1184803827916 | etot = -17.5779995295568 -559000 ekin = 2.44505587446295 | erot = 3.29469811923283 | epot = -23.1627781618237 | etot = -17.423024168128 -560000 ekin = 2.31904677659936 | erot = 2.34795233137866 | epot = -23.1210700988646 | etot = -18.4540709908866 -561000 ekin = 2.04771931333916 | erot = 2.88228436865011 | epot = -23.024411145941 | etot = -18.0944074639517 -562000 ekin = 2.23091608960519 | erot = 3.71635453668511 | epot = -22.8944164201338 | etot = -16.9471457938435 -563000 ekin = 3.1357852432065 | erot = 2.30361462487037 | epot = -22.9661332369329 | etot = -17.5267333688561 -564000 ekin = 2.43466309429864 | erot = 2.37782011884422 | epot = -22.9389295001135 | etot = -18.1264462869706 -565000 ekin = 2.74708790028088 | erot = 2.07634713087886 | epot = -22.939331551729 | etot = -18.1158965205693 -566000 ekin = 2.4222839122782 | erot = 2.23675738705857 | epot = -22.9632631791452 | etot = -18.3042218798084 -567000 ekin = 2.66083125722037 | erot = 2.00815445030396 | epot = -23.0587738412098 | etot = -18.3897881336855 -568000 ekin = 3.04192088032675 | erot = 1.98454766740893 | epot = -23.1119399549794 | etot = -18.0854714072437 -569000 ekin = 3.57500602366975 | erot = 2.06993473480211 | epot = -23.1169833765643 | etot = -17.4720426180924 -570000 ekin = 2.66021275095562 | erot = 2.34009289778314 | epot = -23.1329733111479 | etot = -18.1326676624092 -571000 ekin = 1.9492727086219 | erot = 2.84215857351434 | epot = -23.059975766874 | etot = -18.2685444847377 -572000 ekin = 2.41534745626505 | erot = 2.40867063666104 | epot = -23.0550186086203 | etot = -18.2310005156942 -573000 ekin = 1.75690848092507 | erot = 2.3167538090557 | epot = -23.1062821980692 | etot = -19.0326199080885 -574000 ekin = 2.10700070451592 | erot = 2.59266019942445 | epot = -23.1953992541668 | etot = -18.4957383502265 -575000 ekin = 2.3766207361603 | erot = 2.79835296504546 | epot = -23.2685471976934 | etot = -18.0935734964876 -576000 ekin = 2.17646651375686 | erot = 3.28542649915204 | epot = -23.3024195314184 | etot = -17.8405265185095 -577000 ekin = 2.48649787916229 | erot = 2.29384528363048 | epot = -23.3336440834232 | etot = -18.5533009206305 -578000 ekin = 2.63489334342406 | erot = 2.38537839776846 | epot = -23.3926914947912 | etot = -18.3724197535987 -579000 ekin = 2.6879639473483 | erot = 1.70827418352421 | epot = -23.3699011030343 | etot = -18.9736629721618 -580000 ekin = 2.35397680707073 | erot = 2.85531289645877 | epot = -23.3791722262718 | etot = -18.1698825227423 -581000 ekin = 2.45623723360352 | erot = 2.60459639714713 | epot = -23.3494339765039 | etot = -18.2886003457532 -582000 ekin = 2.3382526117462 | erot = 3.2061485365379 | epot = -23.4180112490559 | etot = -17.8736101007718 -583000 ekin = 1.96183434404855 | erot = 2.8182320095548 | epot = -23.5859382554133 | etot = -18.80587190181 -584000 ekin = 2.00096532862293 | erot = 1.71661883974024 | epot = -23.6753971791609 | etot = -19.9578130107977 -585000 ekin = 2.26504312453072 | erot = 2.08207426542528 | epot = -23.7221723341546 | etot = -19.3750549441986 -586000 ekin = 2.20198471634668 | erot = 1.96863181734696 | epot = -23.6845937288944 | etot = -19.5139771952007 -587000 ekin = 3.67920423738482 | erot = 1.82482965137738 | epot = -23.6620758789199 | etot = -18.1580419901577 -588000 ekin = 3.48072723000483 | erot = 2.30687784419354 | epot = -23.5628518088072 | etot = -17.7752467346088 -589000 ekin = 2.6301802350708 | erot = 2.97022216183281 | epot = -23.3751519834186 | etot = -17.774749586515 -590000 ekin = 1.60810524494739 | erot = 2.03262567379754 | epot = -23.1930040863614 | etot = -19.5522731676165 -591000 ekin = 1.81653979391832 | erot = 1.75590363843925 | epot = -23.1286401679288 | etot = -19.5561967355713 -592000 ekin = 2.57251131663395 | erot = 2.59255636832343 | epot = -23.1517404198258 | etot = -17.9866727348685 -593000 ekin = 2.43680227955855 | erot = 1.78797812851328 | epot = -23.101945124129 | etot = -18.8771647160572 -594000 ekin = 2.12130372154182 | erot = 2.16319738901753 | epot = -23.0522428105757 | etot = -18.7677417000163 -595000 ekin = 2.61503378317223 | erot = 2.04014237870419 | epot = -23.0400690201979 | etot = -18.3848928583215 -596000 ekin = 2.5838826262171 | erot = 2.12601862315907 | epot = -23.0972897944143 | etot = -18.3873885450381 -597000 ekin = 3.03557942938101 | erot = 3.13923818214656 | epot = -23.0945090272485 | etot = -16.9196914157209 -598000 ekin = 3.44798129544029 | erot = 2.86439798217039 | epot = -23.1511239016259 | etot = -16.8387446240152 -599000 ekin = 2.14574146166173 | erot = 3.49764417749902 | epot = -23.122284004392 | etot = -17.4788983652312 -600000 ekin = 2.20860876734766 | erot = 2.50874056137532 | epot = -23.121641128369 | etot = -18.4042917996461 -601000 ekin = 2.82315501435403 | erot = 2.82784045939002 | epot = -23.0925533117084 | etot = -17.4415578379644 -602000 ekin = 2.33761512592198 | erot = 2.38145173595585 | epot = -23.0579577028674 | etot = -18.3388908409896 -603000 ekin = 1.93160054442741 | erot = 1.95556752436392 | epot = -22.9401029172158 | etot = -19.0529348484245 -604000 ekin = 2.6789810993261 | erot = 3.14412986031109 | epot = -22.910832287093 | etot = -17.0877213274558 -605000 ekin = 2.71997631755228 | erot = 2.06416447860583 | epot = -22.9239871466825 | etot = -18.1398463505244 -606000 ekin = 2.99643636348445 | erot = 2.03201196902714 | epot = -22.8415583488471 | etot = -17.8131100163355 -607000 ekin = 2.88272893636888 | erot = 2.37624693398617 | epot = -22.8254440726334 | etot = -17.5664682022784 -608000 ekin = 3.65630425769789 | erot = 2.4609503215642 | epot = -22.762585585759 | etot = -16.6453310064969 -609000 ekin = 2.67762341692564 | erot = 2.28055578469673 | epot = -22.7828567112764 | etot = -17.824677509654 -610000 ekin = 2.96652133048089 | erot = 2.13934256593668 | epot = -22.7741547643332 | etot = -17.6682908679156 -611000 ekin = 3.84932586877613 | erot = 2.13519046445732 | epot = -22.7544276213926 | etot = -16.7699112881591 -612000 ekin = 2.85989656018767 | erot = 2.46801741609839 | epot = -22.6660352466822 | etot = -17.3381212703962 -613000 ekin = 2.93453113084909 | erot = 2.15612014750899 | epot = -22.6610069845369 | etot = -17.5703557061788 -614000 ekin = 2.80105508963963 | erot = 2.03410273106392 | epot = -22.7348632778619 | etot = -17.8997054571583 -615000 ekin = 2.29275813765167 | erot = 2.37294703205248 | epot = -22.8254873753585 | etot = -18.1597822056544 -616000 ekin = 1.78885710821491 | erot = 2.46510899047625 | epot = -22.9171248890198 | etot = -18.6631587903287 -617000 ekin = 2.58551875410709 | erot = 2.5373402867597 | epot = -22.9360764839305 | etot = -17.8132174430637 -618000 ekin = 2.31892663964202 | erot = 2.68589041417607 | epot = -22.8727518088247 | etot = -17.8679347550066 -619000 ekin = 1.95263551601201 | erot = 2.00547599081928 | epot = -22.8336441658867 | etot = -18.8755326590554 -620000 ekin = 2.93125230382283 | erot = 2.17152517775752 | epot = -22.9083331407927 | etot = -17.8055556592123 -621000 ekin = 2.92256345141131 | erot = 1.69365804073587 | epot = -22.9481701549848 | etot = -18.3319486628377 -622000 ekin = 2.04586667934044 | erot = 2.52349184406704 | epot = -22.8875044323845 | etot = -18.318145908977 -623000 ekin = 1.97950132185482 | erot = 3.07798060074862 | epot = -22.8981219896543 | etot = -17.8406400670509 -624000 ekin = 2.09648418588882 | erot = 2.6543004426831 | epot = -22.9137783443298 | etot = -18.1629937157579 -625000 ekin = 2.53180941807541 | erot = 2.36094945875658 | epot = -22.9713145545226 | etot = -18.0785556776906 -626000 ekin = 2.71470092938691 | erot = 2.03801315634257 | epot = -22.9996382199111 | etot = -18.2469241341817 -627000 ekin = 2.22369596417806 | erot = 2.35283010947608 | epot = -22.9578688816797 | etot = -18.3813428080256 -628000 ekin = 2.27999602854394 | erot = 2.28859122795553 | epot = -22.8528131434533 | etot = -18.2842258869538 -629000 ekin = 2.52123682351367 | erot = 1.89626016629389 | epot = -22.7899249071395 | etot = -18.372427917332 -630000 ekin = 3.09552317576679 | erot = 2.51631689437832 | epot = -22.7146675453805 | etot = -17.1028274752354 -631000 ekin = 2.38490277583395 | erot = 3.31743656633136 | epot = -22.7264783640902 | etot = -17.0241390219248 -632000 ekin = 2.58507904222623 | erot = 2.52764941236063 | epot = -22.679176298765 | etot = -17.5664478441781 -633000 ekin = 2.43449371039936 | erot = 1.90741463354387 | epot = -22.6535443404276 | etot = -18.3116359964843 -634000 ekin = 2.22577214221416 | erot = 2.00782187507303 | epot = -22.5713359353359 | etot = -18.3377419180487 -635000 ekin = 2.21828703186448 | erot = 1.98254572604181 | epot = -22.5412406270617 | etot = -18.3404078691554 -636000 ekin = 2.25203768985671 | erot = 2.77892756814694 | epot = -22.5726302712271 | etot = -17.5416650132235 -637000 ekin = 1.94361631144887 | erot = 2.61217525293607 | epot = -22.6025759792528 | etot = -18.0467844148678 -638000 ekin = 2.53948853675747 | erot = 3.14008150742344 | epot = -22.5816815234452 | etot = -16.9021114792643 -639000 ekin = 2.37754295974937 | erot = 2.49543508367508 | epot = -22.5440763882375 | etot = -17.671098344813 -640000 ekin = 2.08220370718338 | erot = 2.2194194329635 | epot = -22.4524516894458 | etot = -18.1508285492989 -641000 ekin = 2.47978319917432 | erot = 3.55852054823509 | epot = -22.3492008411224 | etot = -16.310897093713 -642000 ekin = 3.38960132344713 | erot = 2.18185754829543 | epot = -22.2381539280913 | etot = -16.6666950563487 -643000 ekin = 2.84882938996105 | erot = 2.41327361032682 | epot = -22.1919035544934 | etot = -16.9298005542056 -644000 ekin = 2.97883864641817 | erot = 1.93798086343986 | epot = -22.1756635530162 | etot = -17.2588440431582 -645000 ekin = 4.12551460905463 | erot = 1.89960199669213 | epot = -22.1698840200029 | etot = -16.1447674142562 -646000 ekin = 2.52696700152244 | erot = 2.00637752228798 | epot = -22.1094379456324 | etot = -17.576093421822 -647000 ekin = 2.55510613012742 | erot = 2.20923063557538 | epot = -22.15306269638 | etot = -17.3887259306772 -648000 ekin = 3.02954161965434 | erot = 2.11327379217002 | epot = -22.1567476137635 | etot = -17.0139322019391 -649000 ekin = 2.58451162799693 | erot = 3.20634164199495 | epot = -22.1331170602233 | etot = -16.3422637902314 -650000 ekin = 3.77201429520633 | erot = 2.43067850654692 | epot = -22.0829669606205 | etot = -15.8802741588673 -651000 ekin = 3.31373950314884 | erot = 2.36225009565165 | epot = -21.9236843158819 | etot = -16.2476947170814 -652000 ekin = 2.49269048046144 | erot = 3.02152130835781 | epot = -21.7248332635395 | etot = -16.2106214747202 -653000 ekin = 2.82562653528407 | erot = 2.5389983180152 | epot = -21.720584398338 | etot = -16.3559595450387 -654000 ekin = 2.35162706281986 | erot = 2.1592221935512 | epot = -21.9212844347389 | etot = -17.4104351783678 -655000 ekin = 2.27465971046838 | erot = 2.12498228082651 | epot = -21.901368818889 | etot = -17.5017268275941 -656000 ekin = 2.33863364839044 | erot = 2.10521355308809 | epot = -21.9220753944062 | etot = -17.4782281929276 -657000 ekin = 2.74434430715418 | erot = 2.19004311145519 | epot = -22.136208072754 | etot = -17.2018206541446 -658000 ekin = 3.04725229200292 | erot = 2.59754076353072 | epot = -22.2930322879088 | etot = -16.6482392323752 -659000 ekin = 2.86433120437707 | erot = 3.42151787717832 | epot = -22.2980196003195 | etot = -16.0121705187641 -660000 ekin = 2.91954234725913 | erot = 1.63326659953276 | epot = -22.3386449739967 | etot = -17.7858360272048 -661000 ekin = 3.21083352573749 | erot = 1.8634965142938 | epot = -22.464255649999 | etot = -17.3899256099677 -662000 ekin = 3.05903745891172 | erot = 2.20029510410105 | epot = -22.5554071532051 | etot = -17.2960745901923 -663000 ekin = 1.91661647748247 | erot = 2.47135637120535 | epot = -22.6199107053331 | etot = -18.2319378566453 -664000 ekin = 1.43090369100425 | erot = 1.36491647540447 | epot = -22.7069611889569 | etot = -19.9111410225482 -665000 ekin = 1.55691746213238 | erot = 2.30942311266534 | epot = -22.7825901033953 | etot = -18.9162495285975 -666000 ekin = 2.44471757511112 | erot = 1.77340988320563 | epot = -22.9221213287866 | etot = -18.7039938704699 -667000 ekin = 2.81231115159421 | erot = 2.33234433996922 | epot = -23.1090557968116 | etot = -17.9644003052482 -668000 ekin = 2.71678052291266 | erot = 3.19300727255308 | epot = -23.1841400059555 | etot = -17.2743522104898 -669000 ekin = 3.42188935289467 | erot = 2.44862028635832 | epot = -23.2319725107707 | etot = -17.3614628715177 -670000 ekin = 2.54095648172786 | erot = 1.9812604087298 | epot = -23.1732308879544 | etot = -18.6510139974967 -671000 ekin = 2.3805663479416 | erot = 2.98378557997481 | epot = -23.1367627748431 | etot = -17.7724108469267 -672000 ekin = 3.02750640268286 | erot = 2.54451073535057 | epot = -23.1209945952621 | etot = -17.5489774572287 -673000 ekin = 3.42534085203218 | erot = 2.36776710166581 | epot = -23.0340816238788 | etot = -17.2409736701808 -674000 ekin = 3.1798335968179 | erot = 2.09974053793233 | epot = -22.9543522982093 | etot = -17.6747781634591 -675000 ekin = 2.35355980125584 | erot = 1.53476738200232 | epot = -22.8483076435154 | etot = -18.9599804602572 -676000 ekin = 2.44776916428191 | erot = 2.24648852028555 | epot = -22.7702475408439 | etot = -18.0759898562764 -677000 ekin = 2.75780413162083 | erot = 1.93135039840676 | epot = -22.8504049108609 | etot = -18.1612503808333 -678000 ekin = 2.86691036183901 | erot = 1.65298998733351 | epot = -22.8624995890271 | etot = -18.3425992398546 -679000 ekin = 2.3422515492929 | erot = 2.69060711211823 | epot = -22.9306443341676 | etot = -17.8977856727565 -680000 ekin = 2.47029457301042 | erot = 2.90804485320413 | epot = -22.9871466954175 | etot = -17.6088072692029 -681000 ekin = 1.90527495083164 | erot = 2.57752516482763 | epot = -22.9202555721454 | etot = -18.4374554564861 -682000 ekin = 2.11691016409813 | erot = 2.69948323324142 | epot = -22.8360698295072 | etot = -18.0196764321677 -683000 ekin = 2.36499416502711 | erot = 2.12378773338609 | epot = -22.7222509077472 | etot = -18.233469009334 -684000 ekin = 2.87417187528689 | erot = 2.65554383853006 | epot = -22.652968937805 | etot = -17.1232532239881 -685000 ekin = 3.04542408260429 | erot = 2.17388790678976 | epot = -22.6211255864198 | etot = -17.4018135970258 -686000 ekin = 2.4572232047866 | erot = 2.42733555780261 | epot = -22.5527218647546 | etot = -17.6681631021654 -687000 ekin = 2.74674649482159 | erot = 1.80406297330729 | epot = -22.4878814460607 | etot = -17.9370719779318 -688000 ekin = 1.79261906898015 | erot = 2.04571284009142 | epot = -22.4053085173396 | etot = -18.566976608268 -689000 ekin = 2.87728983191097 | erot = 1.89493579527769 | epot = -22.4572844245428 | etot = -17.6850587973542 -690000 ekin = 2.12417515140944 | erot = 2.42424686393433 | epot = -22.5714890244145 | etot = -18.0230670090707 -691000 ekin = 2.15969911943639 | erot = 2.52979832764676 | epot = -22.5876082022333 | etot = -17.8981107551501 -692000 ekin = 2.88674525045811 | erot = 2.651929872236 | epot = -22.4776759351877 | etot = -16.9390008124936 -693000 ekin = 2.3092809474595 | erot = 2.51902774155063 | epot = -22.3434837669245 | etot = -17.5151750779144 -694000 ekin = 2.90071779504629 | erot = 2.34205397880616 | epot = -22.2602593853742 | etot = -17.0174876115217 -695000 ekin = 2.95797030089466 | erot = 2.23892898139626 | epot = -22.3013052624001 | etot = -17.1044059801092 -696000 ekin = 2.65789992313128 | erot = 2.33957912785853 | epot = -22.3428209998027 | etot = -17.3453419488129 -697000 ekin = 1.89103531712653 | erot = 1.78294584711428 | epot = -22.3504400882104 | etot = -18.6764589239696 -698000 ekin = 2.22798162215976 | erot = 2.82524697464217 | epot = -22.3736356240205 | etot = -17.3204070272186 -699000 ekin = 2.35365478600885 | erot = 2.0687167283237 | epot = -22.3018254917899 | etot = -17.8794539774573 -700000 ekin = 2.58198996587039 | erot = 2.33085240245665 | epot = -22.2602257590337 | etot = -17.3473833907067 -701000 ekin = 2.99678089142865 | erot = 1.89950599572306 | epot = -22.3219835402767 | etot = -17.425696653125 -702000 ekin = 2.67515901971843 | erot = 2.64727221788161 | epot = -22.3592261887725 | etot = -17.0367949511725 -703000 ekin = 2.02349561650625 | erot = 2.03753398299055 | epot = -22.4335933513225 | etot = -18.3725637518257 -704000 ekin = 1.59653691808601 | erot = 1.63621743826809 | epot = -22.4663049532561 | etot = -19.233550596902 -705000 ekin = 2.34017756427041 | erot = 1.91003662789066 | epot = -22.5429518289027 | etot = -18.2927376367416 -706000 ekin = 2.47923684970646 | erot = 3.2700255708033 | epot = -22.5105468727032 | etot = -16.7612844521934 -707000 ekin = 2.38606338090128 | erot = 2.41702366807843 | epot = -22.6028317136512 | etot = -17.7997446646715 -708000 ekin = 1.68126488203551 | erot = 2.34005210871502 | epot = -22.7455626577094 | etot = -18.7242456669589 -709000 ekin = 1.80997013861619 | erot = 2.57925481113812 | epot = -23.0628207828654 | etot = -18.6735958331111 -710000 ekin = 2.07663470081894 | erot = 1.83621025520769 | epot = -23.1969975442429 | etot = -19.2841525882163 -711000 ekin = 1.95348523042278 | erot = 2.41454584124981 | epot = -23.2350510297748 | etot = -18.8670199581022 -712000 ekin = 2.1336102176431 | erot = 1.78657393325109 | epot = -23.2637922718023 | etot = -19.3436081209081 -713000 ekin = 2.90681618138139 | erot = 1.55095647140783 | epot = -23.1828218540472 | etot = -18.725049201258 -714000 ekin = 2.06612414721503 | erot = 1.86613874365067 | epot = -23.2231257100263 | etot = -19.2908628191606 -715000 ekin = 2.52896020774463 | erot = 1.94259727228635 | epot = -23.1650750564771 | etot = -18.6935175764461 -716000 ekin = 3.03493559712718 | erot = 2.21063194998576 | epot = -23.220942309801 | etot = -17.975374762688 -717000 ekin = 3.0796637775291 | erot = 2.47088132553581 | epot = -23.3632103988425 | etot = -17.8126652957776 -718000 ekin = 3.49698025039097 | erot = 2.2716592270022 | epot = -23.4191136876981 | etot = -17.6504742103049 -719000 ekin = 4.06136594689253 | erot = 3.10418551930051 | epot = -23.4063666180316 | etot = -16.2408151518386 -720000 ekin = 2.49833724515039 | erot = 1.90909716223089 | epot = -23.2614962660793 | etot = -18.854061858698 -721000 ekin = 2.57942252693403 | erot = 1.98570182653287 | epot = -23.1432472967431 | etot = -18.5781229432762 -722000 ekin = 2.01088679016935 | erot = 2.27470118196201 | epot = -23.1033008622402 | etot = -18.8177128901089 -723000 ekin = 2.44107678295511 | erot = 2.07629727323011 | epot = -23.182141318077 | etot = -18.6647672618918 -724000 ekin = 1.90803238982749 | erot = 1.93595857250405 | epot = -23.2369669247167 | etot = -19.3929759623851 -725000 ekin = 2.19380758227312 | erot = 2.80513053743865 | epot = -23.2881919599432 | etot = -18.2892538402315 -726000 ekin = 2.27661543234077 | erot = 2.54381748597239 | epot = -23.3349497821497 | etot = -18.5145168638365 -727000 ekin = 1.72229690120046 | erot = 2.6256783446951 | epot = -23.3699085142538 | etot = -19.0219332683583 -728000 ekin = 2.25091852567842 | erot = 3.59487379729856 | epot = -23.4350255191465 | etot = -17.5892331961695 -729000 ekin = 2.68838496984081 | erot = 1.72110395862725 | epot = -23.4780978913558 | etot = -19.0686089628877 -730000 ekin = 2.53299506461663 | erot = 2.76668907196319 | epot = -23.4895234062855 | etot = -18.1898392697057 -731000 ekin = 2.6760609217159 | erot = 2.04582604734292 | epot = -23.5238636820392 | etot = -18.8019767129804 -732000 ekin = 2.77846316806001 | erot = 1.88433334184077 | epot = -23.5770897435819 | etot = -18.9142932336812 -733000 ekin = 2.18892933871209 | erot = 2.6346843690662 | epot = -23.6104212257528 | etot = -18.7868075179745 -734000 ekin = 1.69459813153559 | erot = 2.30332709760983 | epot = -23.5932285157933 | etot = -19.5953032866479 -735000 ekin = 2.17738229724133 | erot = 2.71615420236581 | epot = -23.5325385675669 | etot = -18.6390020679598 -736000 ekin = 2.29368650601869 | erot = 1.17411705869823 | epot = -23.5029023896105 | etot = -20.0350988248936 -737000 ekin = 2.20822665790328 | erot = 3.11529898775426 | epot = -23.4546507116664 | etot = -18.1311250660089 -738000 ekin = 1.72299649032066 | erot = 2.28748751322147 | epot = -23.3303512731973 | etot = -19.3198672696552 -739000 ekin = 1.39485421458765 | erot = 2.1749073819018 | epot = -23.2849045067521 | etot = -19.7151429102627 -740000 ekin = 1.90421462896905 | erot = 2.27824600991221 | epot = -23.2508192404176 | etot = -19.0683586015364 -741000 ekin = 2.02016004868753 | erot = 2.72072555133488 | epot = -23.1869993966325 | etot = -18.4461137966101 -742000 ekin = 1.97476522388772 | erot = 1.87542520854124 | epot = -23.0922795240436 | etot = -19.2420890916146 -743000 ekin = 1.96482892297271 | erot = 2.7698229839544 | epot = -22.9312319116298 | etot = -18.1965800047027 -744000 ekin = 2.04907219390093 | erot = 2.34374807852806 | epot = -22.8504155274904 | etot = -18.4575952550614 -745000 ekin = 1.66770541517404 | erot = 1.87268797271618 | epot = -22.7970674500482 | etot = -19.256674062158 -746000 ekin = 2.11646191189726 | erot = 2.03543326686021 | epot = -22.7779244301375 | etot = -18.6260292513801 -747000 ekin = 3.07958266175499 | erot = 1.66913380114814 | epot = -22.8031371397658 | etot = -18.0544206768627 -748000 ekin = 3.03808653180953 | erot = 1.85632270757018 | epot = -22.842986346491 | etot = -17.9485771071113 -749000 ekin = 2.53758140749286 | erot = 2.01198418352658 | epot = -22.8596787422339 | etot = -18.3101131512145 -750000 ekin = 2.77211189937696 | erot = 2.32629771282836 | epot = -22.9522411003111 | etot = -17.8538314881058 -751000 ekin = 2.52041553848886 | erot = 2.34908561849257 | epot = -23.012198741928 | etot = -18.1426975849466 -752000 ekin = 2.46415827942669 | erot = 1.68869996421912 | epot = -22.9896556476389 | etot = -18.8367974039931 -753000 ekin = 2.47374307089788 | erot = 1.55777194971628 | epot = -23.1131588644731 | etot = -19.081643843859 -754000 ekin = 2.52796878003787 | erot = 2.29498052924916 | epot = -23.2400216607328 | etot = -18.4170723514458 -755000 ekin = 1.52934821736739 | erot = 2.21323453725358 | epot = -23.2617539322798 | etot = -19.5191711776588 -756000 ekin = 2.10421856984007 | erot = 2.40302151559052 | epot = -23.1682224257729 | etot = -18.6609823403423 -757000 ekin = 2.92556811452857 | erot = 2.06915289798223 | epot = -23.1499528985793 | etot = -18.1552318860685 -758000 ekin = 2.37294922982789 | erot = 2.5136802398028 | epot = -23.0492487158129 | etot = -18.1626192461822 -759000 ekin = 2.60143135392931 | erot = 2.3965867167667 | epot = -22.9022185044006 | etot = -17.9042004337045 -760000 ekin = 3.23086795451839 | erot = 2.77070394347185 | epot = -22.8086083978769 | etot = -16.8070364998867 -761000 ekin = 3.41474520443683 | erot = 1.70182284622131 | epot = -22.7401488061481 | etot = -17.62358075549 -762000 ekin = 3.40874138334159 | erot = 2.5214687610176 | epot = -22.5273378250467 | etot = -16.5971276806875 -763000 ekin = 2.64282337808311 | erot = 1.82465845176878 | epot = -22.3886968592841 | etot = -17.9212150294322 -764000 ekin = 2.38098374928432 | erot = 2.71455514893631 | epot = -22.2306429954919 | etot = -17.1351040972713 -765000 ekin = 2.24220112607173 | erot = 1.94828018292253 | epot = -22.1222898533813 | etot = -17.931808544387 -766000 ekin = 2.50647054308507 | erot = 1.96127686565097 | epot = -21.9854922894721 | etot = -17.5177448807361 -767000 ekin = 2.34036216095461 | erot = 2.64592662901366 | epot = -21.9049052626546 | etot = -16.9186164726863 -768000 ekin = 1.86756150924074 | erot = 2.06140692143859 | epot = -21.8871911578369 | etot = -17.9582227271576 -769000 ekin = 3.0359885140629 | erot = 2.66441888317467 | epot = -21.8245365321496 | etot = -16.124129134912 -770000 ekin = 2.42572833720737 | erot = 1.97830348673474 | epot = -21.8109221594649 | etot = -17.4068903355227 -771000 ekin = 2.20057185883112 | erot = 2.53258595631101 | epot = -21.734014677427 | etot = -17.0008568622849 -772000 ekin = 2.75017737220644 | erot = 1.98404504724256 | epot = -21.81636663385 | etot = -17.082144214401 -773000 ekin = 2.14723700449497 | erot = 2.4151160924984 | epot = -21.9575475647945 | etot = -17.3951944678011 -774000 ekin = 2.20540233527262 | erot = 1.98379632188094 | epot = -22.0437158124788 | etot = -17.8545171553253 -775000 ekin = 2.53159855409247 | erot = 2.82258836068 | epot = -22.2468791717252 | etot = -16.8926922569528 -776000 ekin = 3.15990337350763 | erot = 2.46223603653204 | epot = -22.4204095516686 | etot = -16.7982701416289 -777000 ekin = 1.91544508000443 | erot = 1.75409994742756 | epot = -22.4517072920931 | etot = -18.7821622646612 -778000 ekin = 2.94664557229421 | erot = 2.31806053358263 | epot = -22.4632053661323 | etot = -17.1984992602554 -779000 ekin = 3.10966911142499 | erot = 2.04445735728845 | epot = -22.4851293821807 | etot = -17.3310029134672 -780000 ekin = 2.85217648357475 | erot = 3.13312150331092 | epot = -22.4501336819041 | etot = -16.4648356950184 -781000 ekin = 2.36735214903647 | erot = 3.56398811585504 | epot = -22.4171223027496 | etot = -16.4857820378581 -782000 ekin = 2.32799229473909 | erot = 2.86342068433246 | epot = -22.3437898412805 | etot = -17.1523768622089 -783000 ekin = 1.86441476378237 | erot = 3.05235927245358 | epot = -22.2079503227603 | etot = -17.2911762865243 -784000 ekin = 2.05475171167698 | erot = 2.29789662368463 | epot = -22.1006582038569 | etot = -17.7480098684953 -785000 ekin = 2.03881379634772 | erot = 2.15051381788682 | epot = -22.005618673928 | etot = -17.8162910596935 -786000 ekin = 2.37521569747453 | erot = 2.3215726256904 | epot = -21.9728072887761 | etot = -17.2760189656112 -787000 ekin = 2.76687650937794 | erot = 2.23624710557919 | epot = -21.8969738615634 | etot = -16.8938502466062 -788000 ekin = 2.13321139238913 | erot = 2.25164618737296 | epot = -21.8604412147426 | etot = -17.4755836349805 -789000 ekin = 1.98219933423288 | erot = 1.98059715582116 | epot = -21.8441893392272 | etot = -17.8813928491731 -790000 ekin = 1.67847666786903 | erot = 1.42561139395642 | epot = -21.941381415519 | etot = -18.8372933536936 -791000 ekin = 2.12688741327067 | erot = 2.53203269325841 | epot = -22.0865399118969 | etot = -17.4276198053679 -792000 ekin = 1.72796321880606 | erot = 2.2244832123241 | epot = -22.1855187635199 | etot = -18.2330723323897 -793000 ekin = 3.18410749492954 | erot = 1.94059536299771 | epot = -22.376174949317 | etot = -17.2514720913897 -794000 ekin = 2.49072782508363 | erot = 3.01187609729573 | epot = -22.4316780454308 | etot = -16.9290741230515 -795000 ekin = 2.89848925116022 | erot = 3.07660091365902 | epot = -22.516587410981 | etot = -16.5414972461618 -796000 ekin = 2.32849309170709 | erot = 1.6270978552186 | epot = -22.5662306303253 | etot = -18.6106396833996 -797000 ekin = 2.20767832793875 | erot = 3.65977564474856 | epot = -22.5353770098516 | etot = -16.6679230371643 -798000 ekin = 2.12139192163862 | erot = 2.94416204631962 | epot = -22.5360308536834 | etot = -17.4704768857252 -799000 ekin = 2.48451269034698 | erot = 2.74154593614504 | epot = -22.494267326257 | etot = -17.2682086997649 -800000 ekin = 2.17522042927318 | erot = 2.96479501864727 | epot = -22.3819091222467 | etot = -17.2418936743262 -801000 ekin = 2.54693512060825 | erot = 2.74965360561443 | epot = -22.3009510878525 | etot = -17.0043623616298 -802000 ekin = 3.02825099239106 | erot = 2.89157545074505 | epot = -22.2025114687808 | etot = -16.2826850256447 -803000 ekin = 2.21045049668896 | erot = 2.51592023666071 | epot = -22.1070021550193 | etot = -17.3806314216696 -804000 ekin = 2.91059686956699 | erot = 1.58302660030682 | epot = -22.0840071528844 | etot = -17.5903836830106 -805000 ekin = 2.67761934757361 | erot = 3.069720635569 | epot = -22.0793582077661 | etot = -16.3320182246235 -806000 ekin = 2.75980762879093 | erot = 2.21769953441322 | epot = -22.0550306032646 | etot = -17.0775234400604 -807000 ekin = 2.11045367551317 | erot = 2.83920073001796 | epot = -22.1075830544478 | etot = -17.1579286489166 -808000 ekin = 1.84392497979905 | erot = 2.29793977175805 | epot = -22.0755335570562 | etot = -17.9336688054991 -809000 ekin = 1.93171637862302 | erot = 1.94017253306181 | epot = -22.066928232689 | etot = -18.1950393210042 -810000 ekin = 1.97775979279028 | erot = 2.64727266267807 | epot = -22.1021133187779 | etot = -17.4770808633095 -811000 ekin = 2.24172070509422 | erot = 1.75504577244544 | epot = -22.10631129566 | etot = -18.1095448181203 -812000 ekin = 2.49050572737176 | erot = 2.33987726148268 | epot = -22.1241871902584 | etot = -17.2938042014039 -813000 ekin = 3.01752815471752 | erot = 2.24002143249121 | epot = -22.116807731716 | etot = -16.8592581445073 -814000 ekin = 2.86042310191006 | erot = 2.24117753130618 | epot = -22.1084772529156 | etot = -17.0068766196994 -815000 ekin = 2.57504250841232 | erot = 2.76211504651086 | epot = -21.9950814575784 | etot = -16.6579239026553 -816000 ekin = 2.19959057655107 | erot = 2.59196925340511 | epot = -22.0843867435381 | etot = -17.2928269135819 -817000 ekin = 1.75064707017923 | erot = 2.66165145686199 | epot = -22.3740333039416 | etot = -17.9617347769004 -818000 ekin = 2.24812511950443 | erot = 2.59024748858361 | epot = -22.5610880116939 | etot = -17.7227154036058 -819000 ekin = 2.12541380503016 | erot = 2.59620266733555 | epot = -22.5607008655742 | etot = -17.8390843932085 -820000 ekin = 1.93417567600985 | erot = 2.29084462576239 | epot = -22.4839831235988 | etot = -18.2589628218266 -821000 ekin = 2.11386397679857 | erot = 2.38686655216469 | epot = -22.4763699831312 | etot = -17.9756394541679 -822000 ekin = 2.26135055598867 | erot = 2.12059051821569 | epot = -22.3710179425218 | etot = -17.9890768683174 -823000 ekin = 2.31556864207286 | erot = 2.6035211830053 | epot = -22.4989638717259 | etot = -17.5798740466477 -824000 ekin = 1.73693100722561 | erot = 1.5184813450247 | epot = -22.6200824712308 | etot = -19.3646701189804 -825000 ekin = 1.63610511008412 | erot = 1.97729484626479 | epot = -22.6198519859023 | etot = -19.0064520295534 -826000 ekin = 2.00840924391468 | erot = 2.17848588495273 | epot = -22.5466792805529 | etot = -18.3597841516855 -827000 ekin = 2.18458017496693 | erot = 2.44710855022062 | epot = -22.4005998352674 | etot = -17.7689111100799 -828000 ekin = 1.91041039942926 | erot = 2.73448484092911 | epot = -22.3948766951947 | etot = -17.7499814548364 -829000 ekin = 2.07229941615034 | erot = 2.97135025315954 | epot = -22.434811171522 | etot = -17.3911615022121 -830000 ekin = 1.99297455547369 | erot = 2.1576588802149 | epot = -22.4844092218597 | etot = -18.3337757861711 -831000 ekin = 2.33243999410257 | erot = 2.3763340012213 | epot = -22.5757447430944 | etot = -17.8669707477706 -832000 ekin = 2.02856837401183 | erot = 1.94730405553331 | epot = -22.6670646845116 | etot = -18.6911922549664 -833000 ekin = 2.28622313757813 | erot = 2.15106977742247 | epot = -22.7567197431772 | etot = -18.3194268281767 -834000 ekin = 2.1210378005443 | erot = 1.51167848496405 | epot = -22.7736040844494 | etot = -19.140887798941 -835000 ekin = 2.88530231894867 | erot = 2.74026724638582 | epot = -22.8585460390106 | etot = -17.2329764736761 -836000 ekin = 3.3206881354596 | erot = 2.42232340907521 | epot = -22.8959173733727 | etot = -17.1529058288379 -837000 ekin = 2.74147966492743 | erot = 2.32128866347136 | epot = -22.890688089557 | etot = -17.8279197611582 -838000 ekin = 3.13304582679089 | erot = 3.19831100603569 | epot = -22.9167021580119 | etot = -16.5853453251853 -839000 ekin = 2.73524310738819 | erot = 2.61098784970539 | epot = -22.8499775738039 | etot = -17.5037466167103 -840000 ekin = 2.9714125620732 | erot = 1.43156525093809 | epot = -22.7764096370098 | etot = -18.3734318239986 -841000 ekin = 2.95720011963303 | erot = 2.67281496410328 | epot = -22.74090696109 | etot = -17.1108918773537 -842000 ekin = 2.17222072547984 | erot = 2.30477888514471 | epot = -22.7382739265758 | etot = -18.2612743159512 -843000 ekin = 2.83293093637601 | erot = 2.04166092897363 | epot = -22.7426999769084 | etot = -17.8681081115587 -844000 ekin = 2.95939838423659 | erot = 1.50200392453934 | epot = -22.7837663105733 | etot = -18.3223640017974 -845000 ekin = 3.16075268425023 | erot = 2.28217181916471 | epot = -22.7914034530237 | etot = -17.3484789496088 -846000 ekin = 3.33989324329164 | erot = 2.53602590130801 | epot = -22.7943672716087 | etot = -16.918448127009 -847000 ekin = 2.14144439713513 | erot = 2.75036646754355 | epot = -22.7256188129676 | etot = -17.8338079482889 -848000 ekin = 2.4890850279473 | erot = 2.8187435102158 | epot = -22.5834530760368 | etot = -17.2756245378737 -849000 ekin = 1.98022709854769 | erot = 2.56921409657545 | epot = -22.4587362353358 | etot = -17.9092950402127 -850000 ekin = 2.04755793529054 | erot = 1.80627828287466 | epot = -22.4428719719836 | etot = -18.5890357538184 -851000 ekin = 2.09705201250659 | erot = 1.85768714478959 | epot = -22.4344321769461 | etot = -18.4796930196499 -852000 ekin = 1.70813063193921 | erot = 1.42387240689476 | epot = -22.3764716053444 | etot = -19.2444685665104 -853000 ekin = 2.00143066511545 | erot = 3.04689486443609 | epot = -22.4103416022683 | etot = -17.3620160727168 -854000 ekin = 3.02152778379787 | erot = 2.22991487666191 | epot = -22.4965524184488 | etot = -17.245109757989 -855000 ekin = 2.19608144065262 | erot = 2.83673950685791 | epot = -22.5084193524114 | etot = -17.4755984049009 -856000 ekin = 2.44947147813647 | erot = 1.52884725004682 | epot = -22.4898702614234 | etot = -18.5115515332401 -857000 ekin = 2.53343898625603 | erot = 2.80401080702751 | epot = -22.3987166021506 | etot = -17.0612668088671 -858000 ekin = 2.20262532647404 | erot = 2.8247792069788 | epot = -22.32281615969 | etot = -17.2954116262372 -859000 ekin = 2.30654937158539 | erot = 2.3142791907112 | epot = -22.299521643743 | etot = -17.6786930814465 -860000 ekin = 1.99694898863895 | erot = 1.95028208283263 | epot = -22.3157281013929 | etot = -18.3684970299213 -861000 ekin = 2.69685720778408 | erot = 2.24433692481965 | epot = -22.308684325649 | etot = -17.3674901930452 -862000 ekin = 2.86020772842225 | erot = 2.41684858841926 | epot = -22.2875015844601 | etot = -17.0104452676185 -863000 ekin = 2.60869027955544 | erot = 3.3557429503542 | epot = -22.2313715051009 | etot = -16.2669382751913 -864000 ekin = 2.90975887606274 | erot = 2.2974711132053 | epot = -22.1986440077119 | etot = -16.9914140184438 -865000 ekin = 1.92891179669311 | erot = 2.15731612388581 | epot = -22.0985432850411 | etot = -18.0123153644622 -866000 ekin = 1.96989214479485 | erot = 1.64765168847281 | epot = -21.9980789481616 | etot = -18.380535114894 -867000 ekin = 1.75216909752833 | erot = 3.37220321936945 | epot = -21.9061232860984 | etot = -16.7817509692006 -868000 ekin = 1.82818520973491 | erot = 2.7944755326823 | epot = -21.9402402920261 | etot = -17.3175795496089 -869000 ekin = 2.38093069905802 | erot = 2.38587933771677 | epot = -22.0330352056336 | etot = -17.2662251688588 -870000 ekin = 1.91335987165478 | erot = 3.22058308836822 | epot = -22.0373177401659 | etot = -16.9033747801429 -871000 ekin = 3.11763256544808 | erot = 2.95338164044026 | epot = -21.9586151724215 | etot = -15.8876009665332 -872000 ekin = 2.97998053337799 | erot = 1.38590039691319 | epot = -21.8388889958107 | etot = -17.4730080655196 -873000 ekin = 2.75061349369619 | erot = 2.24383438401082 | epot = -21.7622218517437 | etot = -16.7677739740367 -874000 ekin = 2.42548927431534 | erot = 2.11161436912391 | epot = -21.6727594489541 | etot = -17.1356558055149 -875000 ekin = 2.99029100585666 | erot = 2.74121308538956 | epot = -21.668258099805 | etot = -15.9367540085588 -876000 ekin = 2.13274848736646 | erot = 2.23319212644067 | epot = -21.6688484321843 | etot = -17.3029078183771 -877000 ekin = 1.83070881561166 | erot = 1.60104159742216 | epot = -21.6264522455532 | etot = -18.1947018325194 -878000 ekin = 2.01997766473212 | erot = 2.72068834038241 | epot = -21.6321722158884 | etot = -16.8915062107738 -879000 ekin = 1.43444304741827 | erot = 2.17422518419202 | epot = -21.5502499158235 | etot = -17.9415816842133 -880000 ekin = 2.09181756708376 | erot = 2.57774127759727 | epot = -21.4848386835567 | etot = -16.8152798388756 -881000 ekin = 1.54082374125037 | erot = 1.98591349326851 | epot = -21.5198561888166 | etot = -17.9931189542977 -882000 ekin = 2.20620241649865 | erot = 2.64810056429068 | epot = -21.6150536961203 | etot = -16.760750715331 -883000 ekin = 2.22399673754477 | erot = 2.23146179436218 | epot = -21.6815278641887 | etot = -17.2260693322817 -884000 ekin = 2.78668830976032 | erot = 2.10129457858281 | epot = -21.7273526514588 | etot = -16.8393697631157 -885000 ekin = 1.92363533860365 | erot = 1.77572806384608 | epot = -21.7697843629897 | etot = -18.07042096054 -886000 ekin = 1.99837400493853 | erot = 3.11594950867252 | epot = -21.7880717591464 | etot = -16.6737482455354 -887000 ekin = 1.98879357041702 | erot = 2.81587324889294 | epot = -21.7924289081933 | etot = -16.9877620888833 -888000 ekin = 1.92038081253069 | erot = 2.32529355289366 | epot = -21.8608148998544 | etot = -17.61514053443 -889000 ekin = 1.88062951921479 | erot = 2.46119685782947 | epot = -21.9507114977877 | etot = -17.6088851207434 -890000 ekin = 1.86004220539177 | erot = 2.25705599329311 | epot = -22.0524916675628 | etot = -17.935393468878 -891000 ekin = 2.60383186011201 | erot = 2.35330732153708 | epot = -22.1901610904928 | etot = -17.2330219088437 -892000 ekin = 2.68681495848524 | erot = 2.69191866418566 | epot = -22.2914319616012 | etot = -16.9126983389303 -893000 ekin = 2.1736025604619 | erot = 2.9855340631332 | epot = -22.2913989289332 | etot = -17.1322623053381 -894000 ekin = 2.52599407841049 | erot = 2.45860683847711 | epot = -22.2814390199637 | etot = -17.2968381030761 -895000 ekin = 2.51960337440812 | erot = 2.45850851261114 | epot = -22.3091317035431 | etot = -17.3310198165238 -896000 ekin = 1.83967907235416 | erot = 2.78765565400226 | epot = -22.2817324681859 | etot = -17.6543977418295 -897000 ekin = 2.36174473729441 | erot = 2.02088352475316 | epot = -22.224489906849 | etot = -17.8418616448014 -898000 ekin = 2.11473348088257 | erot = 1.90142069141409 | epot = -22.1399662163227 | etot = -18.123812044026 -899000 ekin = 2.62624378038804 | erot = 2.33607099930376 | epot = -22.0408432520367 | etot = -17.0785284723449 -900000 ekin = 2.11340838535732 | erot = 2.28923228114128 | epot = -22.0429025506397 | etot = -17.6402618841411 -901000 ekin = 1.91566215184365 | erot = 1.81440527703791 | epot = -22.0776473770081 | etot = -18.3475799481266 -902000 ekin = 2.56900020102358 | erot = 2.49857156191872 | epot = -22.0064871081721 | etot = -16.9389153452298 -903000 ekin = 1.85775254721542 | erot = 2.1749013676366 | epot = -21.9440711401438 | etot = -17.9114172252918 -904000 ekin = 1.86494867419599 | erot = 2.32873664886262 | epot = -21.8931245107356 | etot = -17.699439187677 -905000 ekin = 2.31980147940844 | erot = 2.14361807880238 | epot = -21.8243901028494 | etot = -17.3609705446386 -906000 ekin = 2.49848643102806 | erot = 2.24843917975751 | epot = -21.8343535689989 | etot = -17.0874279582134 -907000 ekin = 4.2050438363463 | erot = 2.50213014445972 | epot = -21.9270462870553 | etot = -15.2198723062493 -908000 ekin = 3.27389112705028 | erot = 2.1139773414904 | epot = -22.0852225119256 | etot = -16.697354043385 -909000 ekin = 2.63126952270321 | erot = 1.92588883864824 | epot = -22.2068298128194 | etot = -17.6496714514679 -910000 ekin = 2.59246919961188 | erot = 2.91531362022026 | epot = -22.3084480522696 | etot = -16.8006652324374 -911000 ekin = 2.58543295146612 | erot = 4.35272230096969 | epot = -22.3704507138015 | etot = -15.4322954613657 -912000 ekin = 3.05790216539308 | erot = 3.70627231984866 | epot = -22.3924902932765 | etot = -15.6283158080348 -913000 ekin = 2.8218125632957 | erot = 2.17270533888476 | epot = -22.3593081791921 | etot = -17.3647902770116 -914000 ekin = 2.15501507966989 | erot = 1.21668054480496 | epot = -22.2678655505214 | etot = -18.8961699260465 -915000 ekin = 1.59606056510822 | erot = 2.96269780066395 | epot = -22.1741171670757 | etot = -17.6153588013035 -916000 ekin = 2.59112654939107 | erot = 3.74925924318435 | epot = -22.2377409731947 | etot = -15.8973551806193 -917000 ekin = 3.0493203689855 | erot = 2.87183972423686 | epot = -22.2632355232676 | etot = -16.3420754300453 -918000 ekin = 2.92189281092746 | erot = 2.63335972566601 | epot = -22.258652580422 | etot = -16.7034000438285 -919000 ekin = 3.21078719192946 | erot = 2.75946068538008 | epot = -22.2355180140143 | etot = -16.2652701367047 -920000 ekin = 2.28586788874951 | erot = 2.37332627126475 | epot = -22.2034083137746 | etot = -17.5442141537604 -921000 ekin = 2.38962080413001 | erot = 2.43664225646834 | epot = -22.185112667546 | etot = -17.3588496069477 -922000 ekin = 2.30442218252457 | erot = 2.41447890834928 | epot = -22.1365633702844 | etot = -17.4176622794105 -923000 ekin = 2.49327560684184 | erot = 2.66692243519056 | epot = -22.1215324922228 | etot = -16.9613344501904 -924000 ekin = 1.53749943917136 | erot = 2.96826475564971 | epot = -22.089501289138 | etot = -17.5837370943169 -925000 ekin = 1.85839296627404 | erot = 1.9630089146505 | epot = -22.0261958798282 | etot = -18.2047939989037 -926000 ekin = 1.36443105914384 | erot = 2.1171794932878 | epot = -22.0105979668103 | etot = -18.5289874143787 -927000 ekin = 2.55078266090621 | erot = 2.08770331246949 | epot = -22.0297469966776 | etot = -17.3912610233019 -928000 ekin = 2.08687332975665 | erot = 2.73936175158276 | epot = -22.0655836352027 | etot = -17.2393485538632 -929000 ekin = 1.85843511626749 | erot = 1.85229477009255 | epot = -22.1619339279447 | etot = -18.4512040415846 -930000 ekin = 1.98312827530234 | erot = 2.11072782324153 | epot = -22.148404885232 | etot = -18.0545487866881 -931000 ekin = 2.44404037283661 | erot = 1.87098036863263 | epot = -22.045526835582 | etot = -17.7305060941127 -932000 ekin = 2.74511224055608 | erot = 2.34428828961869 | epot = -22.0610647907213 | etot = -16.9716642605465 -933000 ekin = 3.03612209957546 | erot = 2.51767378960712 | epot = -21.9625270494876 | etot = -16.408731160305 -934000 ekin = 2.94656694542126 | erot = 2.48807264081831 | epot = -21.861447502856 | etot = -16.4268079166164 -935000 ekin = 2.79277367387165 | erot = 2.14683969082916 | epot = -21.8273290607191 | etot = -16.8877156960183 -936000 ekin = 2.97180432771798 | erot = 2.07585566252292 | epot = -21.8285478379897 | etot = -16.7808878477488 -937000 ekin = 3.04681426679838 | erot = 2.34693750557886 | epot = -21.7540345943249 | etot = -16.3602828219476 -938000 ekin = 2.98753455096208 | erot = 2.36094629864927 | epot = -21.669921719463 | etot = -16.3214408698516 -939000 ekin = 2.5815116272011 | erot = 2.28540517977038 | epot = -21.6416685543635 | etot = -16.774751747392 -940000 ekin = 2.64452600431539 | erot = 2.76444843839484 | epot = -21.5519696309499 | etot = -16.1429951882397 -941000 ekin = 2.27120802986608 | erot = 2.60471729926444 | epot = -21.4614510918559 | etot = -16.5855257627254 -942000 ekin = 1.87372160611096 | erot = 2.80847310756688 | epot = -21.3628386356793 | etot = -16.6806439220015 -943000 ekin = 2.47141066321096 | erot = 2.33779379941891 | epot = -21.363618035927 | etot = -16.5544135732972 -944000 ekin = 2.13394139147127 | erot = 1.92151741713676 | epot = -21.3251241131195 | etot = -17.2696653045115 -945000 ekin = 2.55903591944463 | erot = 2.20641057626278 | epot = -21.3689027899513 | etot = -16.6034562942439 -946000 ekin = 2.36057887627665 | erot = 2.87562563403205 | epot = -21.3642844166796 | etot = -16.1280799063709 -947000 ekin = 2.06640868745843 | erot = 1.87129277041451 | epot = -21.361667299016 | etot = -17.423965841143 -948000 ekin = 1.84829667860633 | erot = 1.37748341041347 | epot = -21.4043264064643 | etot = -18.1785463174445 -949000 ekin = 1.76269317475673 | erot = 2.31704682699621 | epot = -21.4241969105702 | etot = -17.3444569088173 -950000 ekin = 1.71597192365278 | erot = 2.24238818867182 | epot = -21.4137382130783 | etot = -17.4553781007537 -951000 ekin = 1.97740353609815 | erot = 2.3235775919709 | epot = -21.4747894560116 | etot = -17.1738083279426 -952000 ekin = 2.93972459147619 | erot = 2.7264267649198 | epot = -21.5184934927053 | etot = -15.8523421363093 -953000 ekin = 2.94580120867627 | erot = 2.3885651029181 | epot = -21.5142900777068 | etot = -16.1799237661125 -954000 ekin = 3.09124464575104 | erot = 1.98545519388255 | epot = -21.4222393978574 | etot = -16.3455395582238 -955000 ekin = 3.57635828612239 | erot = 2.07344149873787 | epot = -21.305651356955 | etot = -15.6558515720948 -956000 ekin = 2.96200909778686 | erot = 3.68175912378205 | epot = -21.157040218368 | etot = -14.5132719967991 -957000 ekin = 2.9934348145403 | erot = 2.66416955872305 | epot = -20.9768827662772 | etot = -15.3192783930138 -958000 ekin = 2.66519549819093 | erot = 2.94296814880089 | epot = -20.7784507090075 | etot = -15.1702870620156 -959000 ekin = 1.92857560759304 | erot = 2.44736991936641 | epot = -20.7023816787833 | etot = -16.3264361518238 -960000 ekin = 1.49450803358212 | erot = 3.13585226423836 | epot = -20.7120144681538 | etot = -16.0816541703333 -961000 ekin = 1.95028642422207 | erot = 2.08600574936454 | epot = -20.7117469089035 | etot = -16.6754547353169 -962000 ekin = 2.02517481382584 | erot = 1.89936067129151 | epot = -20.7773964294488 | etot = -16.8528609443315 -963000 ekin = 1.81867025887159 | erot = 2.47411932412279 | epot = -20.8447579345839 | etot = -16.5519683515895 -964000 ekin = 2.82276496790393 | erot = 2.43516586616438 | epot = -20.903922975909 | etot = -15.6459921418407 -965000 ekin = 2.55108655192476 | erot = 2.29878304255031 | epot = -20.9718606663833 | etot = -16.1219910719082 -966000 ekin = 2.12011039995763 | erot = 2.28469402857006 | epot = -21.0607245253139 | etot = -16.6559200967862 -967000 ekin = 1.58231560351932 | erot = 3.55759001366773 | epot = -21.1226021191741 | etot = -15.982696501987 -968000 ekin = 1.95012246688271 | erot = 2.37521006238884 | epot = -21.1148898184345 | etot = -16.7895572891629 -969000 ekin = 2.19259023755588 | erot = 2.45911390116742 | epot = -21.0842607955297 | etot = -16.4325566568064 -970000 ekin = 1.87048303167747 | erot = 2.95645393326851 | epot = -21.0144108895372 | etot = -16.1874739245912 -971000 ekin = 1.95012477829126 | erot = 3.07172629604582 | epot = -20.9855553455518 | etot = -15.9637042712147 -972000 ekin = 1.93195517458082 | erot = 2.56231250597297 | epot = -20.9701698825601 | etot = -16.4759022020063 -973000 ekin = 2.21533845309822 | erot = 2.92680845685574 | epot = -20.9736039159605 | etot = -15.8314570060066 -974000 ekin = 2.53783851969245 | erot = 2.68951943774763 | epot = -20.9250705852868 | etot = -15.6977126278467 -975000 ekin = 3.38321286183975 | erot = 2.3388937245268 | epot = -20.8976133286568 | etot = -15.1755067422903 -976000 ekin = 2.84642762041042 | erot = 3.11577005329036 | epot = -20.8920682645474 | etot = -14.9298705908466 -977000 ekin = 2.71729658676912 | erot = 2.5084228279903 | epot = -20.8689607108408 | etot = -15.6432412960814 -978000 ekin = 1.79445054300148 | erot = 2.07364967100101 | epot = -20.8420722556647 | etot = -16.9739720416622 -979000 ekin = 1.87118885565252 | erot = 2.21929236157499 | epot = -20.774871884918 | etot = -16.6843906676905 -980000 ekin = 1.92328692629603 | erot = 1.58075146493092 | epot = -20.7450294842512 | etot = -17.2409910930243 -981000 ekin = 1.54380792071409 | erot = 2.05666691648826 | epot = -20.8055779656275 | etot = -17.2051031284252 -982000 ekin = 1.84105485043124 | erot = 1.96437622792518 | epot = -20.9115808211874 | etot = -17.106149742831 -983000 ekin = 2.72418502177569 | erot = 1.79041563369968 | epot = -20.9354223873698 | etot = -16.4208217318945 -984000 ekin = 3.62593140681741 | erot = 2.63360144654398 | epot = -21.0391820820805 | etot = -14.7796492287191 -985000 ekin = 2.94852683897972 | erot = 2.17122506831154 | epot = -21.2107161619268 | etot = -16.0909642546355 -986000 ekin = 2.8730990470673 | erot = 2.17803097743515 | epot = -21.3376467553807 | etot = -16.2865167308783 -987000 ekin = 3.37014034763591 | erot = 2.51986025997469 | epot = -21.4044213003553 | etot = -15.5144206927447 -988000 ekin = 3.46869513961502 | erot = 3.24290721199116 | epot = -21.4574897009989 | etot = -14.7458873493927 -989000 ekin = 2.84166309499202 | erot = 2.20794524768456 | epot = -21.6064619775396 | etot = -16.556853634863 -990000 ekin = 2.7961621760392 | erot = 1.83962335779988 | epot = -21.6050150594377 | etot = -16.9692295255987 -991000 ekin = 3.12373716765057 | erot = 3.19217793832918 | epot = -21.5124956370547 | etot = -15.196580531075 -992000 ekin = 3.28264042603627 | erot = 2.63437573620237 | epot = -21.3974383725657 | etot = -15.4804222103271 -993000 ekin = 3.03843938464914 | erot = 2.2245111821208 | epot = -21.3215565657891 | etot = -16.0586059990192 -994000 ekin = 3.17415651424377 | erot = 2.79358782634793 | epot = -21.2400795485327 | etot = -15.272335207941 -995000 ekin = 3.20647480868909 | erot = 1.72566862077117 | epot = -21.1373044030639 | etot = -16.2051609736037 -996000 ekin = 3.05112273650758 | erot = 3.18000206414337 | epot = -21.0953933909242 | etot = -14.8642685902733 -997000 ekin = 2.95627130723369 | erot = 3.15916576717626 | epot = -21.0582569249376 | etot = -14.9428198505277 -998000 ekin = 3.0660899917632 | erot = 1.97683196852806 | epot = -20.9835503180559 | etot = -15.9406283577646 -999000 ekin = 2.08921397127967 | erot = 2.76365668450607 | epot = -20.9706997536924 | etot = -16.1178290979066 -1000000 ekin = 2.117712793702 | erot = 2.14107266477967 | epot = -20.9100710796761 | etot = -16.6512856211944 - 1000000 0.094120569 -1.3660232 0.059143724 -1.1745224 -3.0717572e-05 -Loop time of 37.9247 on 1 procs for 1000000 steps with 16 atoms - -Performance: 22782.012 tau/day, 26368.069 timesteps/s -99.5% CPU use with 1 MPI tasks x no OpenMP threads - -MPI task timing breakdown: -Section | min time | avg time | max time |%varavg| %total ---------------------------------------------------------------- -Pair | 27.061 | 27.061 | 27.061 | 0.0 | 71.36 -Bond | 0.98271 | 0.98271 | 0.98271 | 0.0 | 2.59 -Neigh | 0 | 0 | 0 | 0.0 | 0.00 -Comm | 0.2053 | 0.2053 | 0.2053 | 0.0 | 0.54 -Output | 8e-06 | 8e-06 | 8e-06 | 0.0 | 0.00 -Modify | 9.3814 | 9.3814 | 9.3814 | 0.0 | 24.74 -Other | | 0.2939 | | | 0.77 - -Nlocal: 16.0 ave 16.0 max 16.0 min -Histogram: 1 0 0 0 0 0 0 0 0 0 -Nghost: 0.0 ave 0.0 max 0.0 min -Histogram: 1 0 0 0 0 0 0 0 0 0 -Neighs: 103.0 ave 103.0 max 103.0 min -Histogram: 1 0 0 0 0 0 0 0 0 0 - -Total # of neighbors = 103 -Ave neighs/atom = 6.4375 -Ave special neighs/atom = 3.75 -Neighbor list builds = 0 -Dangerous builds = 0 - -#write_restart config.${number}.* -Total wall time: 0:00:37 diff --git a/examples/PACKAGES/cgdna/examples/oxDNA2/duplex2/log.30Jun20.duplex2.g++.4 b/examples/PACKAGES/cgdna/examples/oxDNA2/duplex2/log.30Jun20.duplex2.g++.4 deleted file mode 100644 index 6639b696ed..0000000000 --- a/examples/PACKAGES/cgdna/examples/oxDNA2/duplex2/log.30Jun20.duplex2.g++.4 +++ /dev/null @@ -1,1184 +0,0 @@ -LAMMPS (30 Jun 2020) -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 -WARNING: Atom_style hybrid defines both pertype and peratom masses - both must be set, only peratom masses will be used (../atom_vec_hybrid.cpp:156) -atom_modify sort 0 1.0 - -# Pair interactions require lists of neighbours to be calculated -neighbor 1.0 bin -neigh_modify every 1 delay 0 check yes - -read_data data.duplex2 - orthogonal box = (-20 -20 -20) to (20 20 20) - 1 by 2 by 2 MPI processor grid - reading atoms ... - 16 atoms - reading velocities ... - 16 velocities - 16 ellipsoids - scanning bonds ... - 2 = max bonds/atom - reading bonds ... - 13 bonds - 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 = 0.004 seconds - -set atom * mass 3.1575 - 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 - 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} 1.0 0.815 -pair_coeff * * oxdna2/dh 0.1 1.0 0.815 - -# NVE ensemble -#fix 1 all nve/dot -fix 1 all nve/dotc/langevin ${T} ${T} 0.03 457145 angmom 10 -fix 1 all nve/dotc/langevin 0.1 ${T} 0.03 457145 angmom 10 -fix 1 all nve/dotc/langevin 0.1 0.1 0.03 457145 angmom 10 -#fix 1 all nve/asphere -#fix 2 all langevin ${T} ${T} 0.03 457145 angmom 10 - -timestep 1e-5 - -#comm_style tiled -#fix 3 all balance 10000 1.1 rcb -comm_modify cutoff 2.5 - -#compute mol all chunk/atom molecule -#compute mychunk all vcm/chunk mol -#fix 4 all ave/time 10000 1 10000 c_mychunk[1] c_mychunk[2] c_mychunk[3] file vcm.txt mode vector - -#dump pos all xyz ${ofreq} traj.${number}.xyz - -#compute quat all property/atom quatw quati quatj quatk -#dump quat all custom ${ofreq} quat.${number}.txt id c_quat[1] c_quat[2] c_quat[3] c_quat[4] -#dump_modify quat sort id -#dump_modify quat format line "%d %13.6le %13.6le %13.6le %13.6le" - -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}.txt id x y z vx vy vz fx fy fz tqx tqy tqz -#dump_modify out sort id -#dump_modify out format line "%d %13.6le %13.6le %13.6le %13.6le %13.6le %13.6le %13.6le %13.6le %13.6le %13.6le %13.6le %13.6le" - -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 = 2.6274048 - ghost atom cutoff = 2.6274048 - binsize = 1.3137024, bins = 31 31 31 - 6 neighbor lists, perpetual/occasional/extra = 6 0 0 - (1) pair oxdna2/excv, perpetual - attributes: half, newton off - pair build: half/bin/newtoff - stencil: half/bin/3d/newtoff - bin: standard - (2) pair oxdna2/stk, perpetual, copy from (1) - attributes: half, newton off - pair build: copy - stencil: none - bin: none - (3) pair oxdna2/hbond, perpetual, copy from (1) - attributes: half, newton off - pair build: copy - stencil: none - bin: none - (4) pair oxdna2/xstk, perpetual, copy from (1) - attributes: half, newton off - pair build: copy - stencil: none - bin: none - (5) pair oxdna2/coaxstk, perpetual, copy from (1) - attributes: half, newton off - pair build: copy - stencil: none - bin: none - (6) pair oxdna2/dh, perpetual, copy from (1) - attributes: half, newton off - pair build: copy - stencil: none - bin: none -WARNING: Communication cutoff adjusted to 2.627404783947349 (../comm.cpp:690) -0 ekin = 0 | erot = 0 | epot = -24.419271289937 | etot = -24.419271289937 -Per MPI rank memory allocation (min/avg/max) = 8.028 | 8.085 | 8.143 Mbytes -Step Temp E_pair E_mol TotEng Press - 0 0 -1.5358787 0.0096742456 -1.5262045 1.0127369e-05 -1000 ekin = 1.34554291364716 | erot = 2.30525041754444 | epot = -24.3924150888896 | etot = -20.741621757698 -2000 ekin = 2.15972469811184 | erot = 2.1628675965276 | epot = -24.3548203354875 | etot = -20.0322280408481 -3000 ekin = 3.26433550542939 | erot = 2.76107866472087 | epot = -24.2947953202752 | etot = -18.269381150125 -4000 ekin = 1.9203212531997 | erot = 2.133394384253 | epot = -24.234098584123 | etot = -20.1803829466703 -5000 ekin = 1.35481075814721 | erot = 2.00854026688447 | epot = -24.1768963201279 | etot = -20.8135452950963 -6000 ekin = 2.18974627635306 | erot = 1.73271671162436 | epot = -24.1096616118305 | etot = -20.1871986238531 -7000 ekin = 2.65472853187395 | erot = 1.73258720631297 | epot = -24.0561118130561 | etot = -19.6687960748691 -8000 ekin = 2.51192327964357 | erot = 2.34132844779952 | epot = -23.9708695663488 | etot = -19.1176178389058 -9000 ekin = 2.24554900802464 | erot = 2.0522939078286 | epot = -23.874757758319 | etot = -19.5769148424658 -10000 ekin = 2.36227360512089 | erot = 1.80185994066737 | epot = -23.7793375260418 | etot = -19.6152039802535 -11000 ekin = 2.03264234985168 | erot = 1.68707706801736 | epot = -23.7396221351636 | etot = -20.0199027172945 -12000 ekin = 2.66329111303325 | erot = 2.49804687909781 | epot = -23.7366995564469 | etot = -18.5753615643158 -13000 ekin = 1.89677055811531 | erot = 2.34624821263612 | epot = -23.6591067615901 | etot = -19.4160879908387 -14000 ekin = 1.91279445145792 | erot = 2.13129118502405 | epot = -23.6468743458148 | etot = -19.6027887093328 -15000 ekin = 2.41876331112169 | erot = 2.07362128417238 | epot = -23.5767792498568 | etot = -19.0843946545628 -16000 ekin = 2.76615310647131 | erot = 1.19495009524763 | epot = -23.4862363509196 | etot = -19.5251331492006 -17000 ekin = 2.45632569069911 | erot = 2.37627186077148 | epot = -23.500787861849 | etot = -18.6681903103784 -18000 ekin = 2.18348858414473 | erot = 2.46933014500077 | epot = -23.5223047738331 | etot = -18.8694860446876 -19000 ekin = 2.2074746303434 | erot = 2.45349372324724 | epot = -23.4618353655003 | etot = -18.8008670119096 -20000 ekin = 2.06964129991908 | erot = 1.80832666230414 | epot = -23.4930879797962 | etot = -19.615120017573 -21000 ekin = 2.26572194434983 | erot = 2.76680470094409 | epot = -23.5023070260553 | etot = -18.4697803807614 -22000 ekin = 2.69295306575102 | erot = 1.86984875574017 | epot = -23.4463493063166 | etot = -18.8835474848254 -23000 ekin = 1.99930153068661 | erot = 2.27735339437466 | epot = -23.3493214662276 | etot = -19.0726665411663 -24000 ekin = 2.20679650752062 | erot = 2.98147599881873 | epot = -23.273517698415 | etot = -18.0852451920757 -25000 ekin = 2.28085541692287 | erot = 2.99165466281124 | epot = -23.2072100929465 | etot = -17.9347000132124 -26000 ekin = 1.9530124305314 | erot = 2.81680126246586 | epot = -23.0636678500934 | etot = -18.2938541570962 -27000 ekin = 1.96948983508855 | erot = 2.69266617300682 | epot = -22.9870601707012 | etot = -18.3249041626058 -28000 ekin = 2.02061868464074 | erot = 2.37038530969117 | epot = -22.9383598315964 | etot = -18.5473558372645 -29000 ekin = 2.51387846128098 | erot = 2.0265039132053 | epot = -22.888959880923 | etot = -18.3485775064367 -30000 ekin = 1.95889729807242 | erot = 2.1170713545074 | epot = -22.7896312662562 | etot = -18.7136626136764 -31000 ekin = 1.81775203419098 | erot = 2.326796842935 | epot = -22.7561124537192 | etot = -18.6115635765932 -32000 ekin = 1.87947265787065 | erot = 2.0009346769358 | epot = -22.8533570528062 | etot = -18.9729497179997 -33000 ekin = 1.77435214491107 | erot = 1.82826131933673 | epot = -22.8632647352802 | etot = -19.2606512710324 -34000 ekin = 2.27098719472917 | erot = 3.11275511420439 | epot = -22.9527052663856 | etot = -17.5689629574521 -35000 ekin = 2.88921171289845 | erot = 1.82538384737236 | epot = -23.0316569923336 | etot = -18.3170614320628 -36000 ekin = 2.40471013682393 | erot = 2.59817148723643 | epot = -23.1277697887139 | etot = -18.1248881646536 -37000 ekin = 2.23499312928139 | erot = 1.74662115184433 | epot = -23.1542126827759 | etot = -19.1725984016501 -38000 ekin = 2.13875747252781 | erot = 3.07733571118648 | epot = -23.0916051545794 | etot = -17.8755119708651 -39000 ekin = 2.08901196654187 | erot = 2.81975762995374 | epot = -23.0796147800379 | etot = -18.1708451835423 -40000 ekin = 2.95155149177527 | erot = 2.19459039829335 | epot = -23.141500571363 | etot = -17.9953586812944 -41000 ekin = 2.49235596566196 | erot = 3.45295839915509 | epot = -23.115526015811 | etot = -17.1702116509939 -42000 ekin = 2.58401591894786 | erot = 3.0976076851145 | epot = -23.0181097727229 | etot = -17.3364861686605 -43000 ekin = 2.17593293893362 | erot = 2.65403748718844 | epot = -22.8962504257564 | etot = -18.0662799996343 -44000 ekin = 2.34068034665607 | erot = 3.294882771572 | epot = -22.8143844644656 | etot = -17.1788213462375 -45000 ekin = 1.87200112415306 | erot = 3.49863859200052 | epot = -22.6989374637074 | etot = -17.3282977475538 -46000 ekin = 2.60943921333194 | erot = 2.23170007842725 | epot = -22.5884035122493 | etot = -17.7472642204901 -47000 ekin = 1.89594756436345 | erot = 3.4002587629387 | epot = -22.4938472923117 | etot = -17.1976409650096 -48000 ekin = 2.49339593279701 | erot = 2.5104785556399 | epot = -22.5372062210456 | etot = -17.5333317326087 -49000 ekin = 3.2041407554348 | erot = 2.17669016194865 | epot = -22.5688036423094 | etot = -17.1879727249259 -50000 ekin = 2.93024070185999 | erot = 1.55416219951966 | epot = -22.6087903765995 | etot = -18.1243874752199 -51000 ekin = 2.8585759501124 | erot = 2.69193261792584 | epot = -22.6228353253324 | etot = -17.0723267572942 -52000 ekin = 2.3079418078843 | erot = 1.84260643306147 | epot = -22.6230480697441 | etot = -18.4724998287983 -53000 ekin = 3.1803685919024 | erot = 1.67451273370508 | epot = -22.6834814309773 | etot = -17.8286001053698 -54000 ekin = 2.6151376953128 | erot = 1.96091197875017 | epot = -22.7484551927013 | etot = -18.1724055186384 -55000 ekin = 3.1639577845443 | erot = 2.86286196426802 | epot = -22.7917236196438 | etot = -16.7649038708315 -56000 ekin = 2.52994034294643 | erot = 3.05544364249365 | epot = -22.7651844773103 | etot = -17.1798004918702 -57000 ekin = 2.40889871674401 | erot = 3.4525690879514 | epot = -22.7113139496974 | etot = -16.849846145002 -58000 ekin = 1.9363727739706 | erot = 2.52762778976703 | epot = -22.6468058892224 | etot = -18.1828053254848 -59000 ekin = 2.55505415922972 | erot = 3.52385701835933 | epot = -22.6037443858311 | etot = -16.5248332082421 -60000 ekin = 2.80945252332612 | erot = 2.88606183204889 | epot = -22.5227874119079 | etot = -16.8272730565329 -61000 ekin = 2.69750183117722 | erot = 2.55373633146433 | epot = -22.4306469225965 | etot = -17.1794087599549 -62000 ekin = 2.74494354639602 | erot = 2.23074517653766 | epot = -22.3675792436719 | etot = -17.3918905207383 -63000 ekin = 2.66335513293138 | erot = 2.46159865380861 | epot = -22.3527707145482 | etot = -17.2278169278082 -64000 ekin = 2.12832019835147 | erot = 2.78772793164811 | epot = -22.3048690294469 | etot = -17.3888208994473 -65000 ekin = 1.88429801911228 | erot = 2.70719871478483 | epot = -22.3342736701749 | etot = -17.7427769362778 -66000 ekin = 2.77106091929282 | erot = 1.94126620531915 | epot = -22.338257942783 | etot = -17.625930818171 -67000 ekin = 2.53561386235746 | erot = 2.45901054739082 | epot = -22.3780784743028 | etot = -17.3834540645545 -68000 ekin = 2.9678648663671 | erot = 1.95502711706149 | epot = -22.4420512915713 | etot = -17.5191593081427 -69000 ekin = 2.61501630036274 | erot = 2.2429513448561 | epot = -22.3607835407198 | etot = -17.502815895501 -70000 ekin = 2.41492598760663 | erot = 2.80885610657203 | epot = -22.2905725083407 | etot = -17.066790414162 -71000 ekin = 2.65062529541957 | erot = 2.88868401392431 | epot = -22.2951070257787 | etot = -16.7557977164349 -72000 ekin = 2.93273744051009 | erot = 2.82552508252073 | epot = -22.4016757930526 | etot = -16.6434132700218 -73000 ekin = 2.18922665452238 | erot = 3.03559183860538 | epot = -22.4509770394845 | etot = -17.2261585463568 -74000 ekin = 2.16074843540078 | erot = 2.83668185121384 | epot = -22.4374624006144 | etot = -17.4400321139998 -75000 ekin = 1.52329638473031 | erot = 1.91520672578907 | epot = -22.5623153080324 | etot = -19.123812197513 -76000 ekin = 1.89250964827726 | erot = 2.83358650938892 | epot = -22.6698326202442 | etot = -17.943736462578 -77000 ekin = 2.82066630152179 | erot = 3.19779433197964 | epot = -22.7402096770599 | etot = -16.7217490435584 -78000 ekin = 2.42603824235662 | erot = 2.82319136688957 | epot = -22.7334053911689 | etot = -17.4841757819227 -79000 ekin = 2.1571494738421 | erot = 1.67722302323495 | epot = -22.7616861631187 | etot = -18.9273136660417 -80000 ekin = 2.3760789053548 | erot = 2.58372913427157 | epot = -22.6889139769023 | etot = -17.729105937276 -81000 ekin = 2.73468961033338 | erot = 1.92748741387075 | epot = -22.6388260929897 | etot = -17.9766490687856 -82000 ekin = 1.90565370838817 | erot = 1.71715050303634 | epot = -22.5547415381056 | etot = -18.9319373266811 -83000 ekin = 1.63698443616271 | erot = 1.88092293220519 | epot = -22.4792739412377 | etot = -18.9613665728698 -84000 ekin = 1.65571812906993 | erot = 2.10290321918187 | epot = -22.4031972735297 | etot = -18.6445759252779 -85000 ekin = 2.40863681830855 | erot = 2.04741059095057 | epot = -22.321221903585 | etot = -17.8651744943259 -86000 ekin = 2.50560893716733 | erot = 1.80624308622105 | epot = -22.3789065133115 | etot = -18.0670544899231 -87000 ekin = 2.13576456371582 | erot = 1.97115993651017 | epot = -22.4335511413526 | etot = -18.3266266411266 -88000 ekin = 1.74897318407528 | erot = 2.37233945814529 | epot = -22.4142028246849 | etot = -18.2928901824643 -89000 ekin = 1.85559683216276 | erot = 3.29559734355419 | epot = -22.4519626048678 | etot = -17.3007684291509 -90000 ekin = 2.22181579992018 | erot = 2.33948779846394 | epot = -22.5289826258985 | etot = -17.9676790275144 -91000 ekin = 2.40596540834273 | erot = 3.11545124680293 | epot = -22.4975752624166 | etot = -16.9761586072709 -92000 ekin = 2.6773157744569 | erot = 3.00279439655287 | epot = -22.4834827179575 | etot = -16.8033725469477 -93000 ekin = 3.0427813598525 | erot = 3.03722776158512 | epot = -22.4121259471479 | etot = -16.3321168257103 -94000 ekin = 3.20507830840023 | erot = 1.86440047317737 | epot = -22.5079833350679 | etot = -17.4385045534903 -95000 ekin = 3.4839955648833 | erot = 2.87934575393031 | epot = -22.5675869456428 | etot = -16.2042456268292 -96000 ekin = 2.8873631080951 | erot = 2.38554372248299 | epot = -22.5453635283434 | etot = -17.2724566977653 -97000 ekin = 1.92899149350272 | erot = 2.09886479790579 | epot = -22.5208382020819 | etot = -18.4929819106733 -98000 ekin = 2.21420868967462 | erot = 3.66528252896999 | epot = -22.4426781355708 | etot = -16.5631869169262 -99000 ekin = 1.98238051924192 | erot = 2.77358159119584 | epot = -22.3579409961467 | etot = -17.6019788857089 -100000 ekin = 1.80278462349605 | erot = 2.65457154995031 | epot = -22.2926900475079 | etot = -17.8353338740616 -101000 ekin = 2.14042196591663 | erot = 2.38610603254675 | epot = -22.2789462117326 | etot = -17.7524182132692 -102000 ekin = 1.54923043145398 | erot = 2.30485616158943 | epot = -22.27519637673 | etot = -18.4211097836866 -103000 ekin = 1.66618004359352 | erot = 2.82192794888076 | epot = -22.3284746660305 | etot = -17.8403666735562 -104000 ekin = 1.8840390723585 | erot = 3.37607054348826 | epot = -22.4068162519772 | etot = -17.1467066361304 -105000 ekin = 2.08970806137592 | erot = 2.01278733908098 | epot = -22.450865561264 | etot = -18.3483701608071 -106000 ekin = 2.87186619049714 | erot = 1.95029477179727 | epot = -22.46479383237 | etot = -17.6426328700756 -107000 ekin = 2.28516102595382 | erot = 1.55115426482475 | epot = -22.420448971169 | etot = -18.5841336803904 -108000 ekin = 2.4440862469061 | erot = 1.71323205815914 | epot = -22.4934628688132 | etot = -18.336144563748 -109000 ekin = 2.33376449416318 | erot = 2.92962175925398 | epot = -22.4792154966925 | etot = -17.2158292432753 -110000 ekin = 2.7815613020599 | erot = 2.36483486971455 | epot = -22.4384263756784 | etot = -17.2920302039039 -111000 ekin = 2.32472851347632 | erot = 2.09554567134105 | epot = -22.3756448055424 | etot = -17.955370620725 -112000 ekin = 2.91126509700492 | erot = 1.8278781240038 | epot = -22.2278235937356 | etot = -17.4886803727269 -113000 ekin = 2.82522334536064 | erot = 1.67936756938672 | epot = -22.2030639545535 | etot = -17.6984730398062 -114000 ekin = 3.42964629994365 | erot = 2.67287683722422 | epot = -22.3274259722919 | etot = -16.224902835124 -115000 ekin = 3.0542495603856 | erot = 1.72370226125566 | epot = -22.3530732875163 | etot = -17.575121465875 -116000 ekin = 3.19934505541307 | erot = 3.20304074939432 | epot = -22.4112422200445 | etot = -16.0088564152371 -117000 ekin = 3.03942349360439 | erot = 2.40720645224432 | epot = -22.3646852618703 | etot = -16.9180553160216 -118000 ekin = 3.21704225120818 | erot = 1.46425401673931 | epot = -22.2864155249032 | etot = -17.6051192569557 -119000 ekin = 2.33989996826882 | erot = 3.07668030790319 | epot = -22.2283862990246 | etot = -16.8118060228526 -120000 ekin = 1.93772242476321 | erot = 2.20130457047854 | epot = -22.1620199969907 | etot = -18.022993001749 -121000 ekin = 1.94013950333198 | erot = 3.08987281123525 | epot = -22.1565667857742 | etot = -17.126554471207 -122000 ekin = 1.68663003450368 | erot = 1.73461876453175 | epot = -22.2565715090021 | etot = -18.8353227099667 -123000 ekin = 1.72841976989173 | erot = 2.32750063038672 | epot = -22.3665160016578 | etot = -18.3105956013793 -124000 ekin = 2.73468934475335 | erot = 1.93313584543739 | epot = -22.378088078826 | etot = -17.7102628886353 -125000 ekin = 2.77507735763211 | erot = 1.95244582221334 | epot = -22.3863676939847 | etot = -17.6588445141392 -126000 ekin = 2.04549959008918 | erot = 1.485897173428 | epot = -22.4226219879524 | etot = -18.8912252244352 -127000 ekin = 1.86410777734907 | erot = 1.58829497411524 | epot = -22.4027380289015 | etot = -18.9503352774372 -128000 ekin = 1.63329448006254 | erot = 1.88032753965974 | epot = -22.3918784566533 | etot = -18.8782564369311 -129000 ekin = 2.51522192674941 | erot = 2.38822614049102 | epot = -22.396225517968 | etot = -17.4927774507275 -130000 ekin = 1.61191166117177 | erot = 2.81688343133435 | epot = -22.341565060394 | etot = -17.9127699678878 -131000 ekin = 2.29569747740708 | erot = 2.2886876976091 | epot = -22.2184139794107 | etot = -17.6340288043945 -132000 ekin = 2.97393694467802 | erot = 2.3613525440602 | epot = -22.1410658382525 | etot = -16.8057763495143 -133000 ekin = 2.01357676743257 | erot = 2.125828419273 | epot = -22.1312019600638 | etot = -17.9917967733582 -134000 ekin = 1.56048037412857 | erot = 2.84208065022547 | epot = -22.0682869067536 | etot = -17.6657258823995 -135000 ekin = 1.79811942319758 | erot = 2.40075843487508 | epot = -22.0853555614258 | etot = -17.8864777033532 -136000 ekin = 1.63631696233012 | erot = 2.13166656554854 | epot = -22.0879615470249 | etot = -18.3199780191463 -137000 ekin = 2.36040439516093 | erot = 1.93785486632901 | epot = -22.1234845924018 | etot = -17.8252253309118 -138000 ekin = 2.94591421775872 | erot = 1.58866111192914 | epot = -22.1783168558241 | etot = -17.6437415261363 -139000 ekin = 3.17560544591524 | erot = 2.24933296614107 | epot = -22.2966418842012 | etot = -16.8717034721449 -140000 ekin = 2.24781162873235 | erot = 3.05934139328612 | epot = -22.4681108223249 | etot = -17.1609578003064 -141000 ekin = 1.89078628042285 | erot = 3.13246933186326 | epot = -22.730922227649 | etot = -17.7076666153629 -142000 ekin = 2.51033894675651 | erot = 2.4942894309123 | epot = -22.8404165502847 | etot = -17.8357881726159 -143000 ekin = 2.40438807844298 | erot = 2.71461817456284 | epot = -22.8207220890738 | etot = -17.7017158360679 -144000 ekin = 1.9307425487964 | erot = 2.67760329085926 | epot = -22.6973757396236 | etot = -18.0890298999679 -145000 ekin = 1.82681171280412 | erot = 1.73674169257736 | epot = -22.6628534675149 | etot = -19.0993000621335 -146000 ekin = 2.42423538163981 | erot = 2.0908776294658 | epot = -22.6072904345337 | etot = -18.0921774234281 -147000 ekin = 1.44607209743073 | erot = 1.8801263906251 | epot = -22.5001275476876 | etot = -19.1739290596318 -148000 ekin = 1.9349809420382 | erot = 2.57774390934154 | epot = -22.4721664357448 | etot = -17.9594415843651 -149000 ekin = 2.02370265642699 | erot = 3.3179576458013 | epot = -22.3745153112138 | etot = -17.0328550089855 -150000 ekin = 2.48124469844233 | erot = 2.68185291250579 | epot = -22.1950329772129 | etot = -17.0319353662648 -151000 ekin = 2.76319440452884 | erot = 1.87355938382631 | epot = -21.986630645846 | etot = -17.3498768574909 -152000 ekin = 2.77453107952051 | erot = 1.77016628972892 | epot = -21.7977108098427 | etot = -17.2530134405933 -153000 ekin = 3.08827014622555 | erot = 1.80976617511255 | epot = -21.6910123469878 | etot = -16.7929760256497 -154000 ekin = 2.32051051770812 | erot = 2.18004857730092 | epot = -21.6406733490634 | etot = -17.1401142540543 -155000 ekin = 1.95766873014157 | erot = 2.67064554154836 | epot = -21.7315745360126 | etot = -17.1032602643227 -156000 ekin = 2.69830438989808 | erot = 2.24987636164771 | epot = -21.7962907570244 | etot = -16.8481100054786 -157000 ekin = 3.89340900899948 | erot = 2.73733315325155 | epot = -21.8437967078712 | etot = -15.2130545456202 -158000 ekin = 2.84737207100033 | erot = 2.70157958556583 | epot = -21.878244439129 | etot = -16.3292927825628 -159000 ekin = 3.1312088996125 | erot = 2.65375527842548 | epot = -21.8350703791794 | etot = -16.0501062011414 -160000 ekin = 2.54316260055464 | erot = 3.27950281054041 | epot = -21.8888467298127 | etot = -16.0661813187176 -161000 ekin = 2.49549109190181 | erot = 2.45028506429479 | epot = -21.8585593359585 | etot = -16.9127831797619 -162000 ekin = 3.05200272259994 | erot = 2.59164651185653 | epot = -21.8439750046483 | etot = -16.2003257701918 -163000 ekin = 3.30374280597553 | erot = 2.24193960212662 | epot = -21.8717863279577 | etot = -16.3261039198555 -164000 ekin = 3.53081155329031 | erot = 2.22419322011391 | epot = -21.8162094860939 | etot = -16.0612047126897 -165000 ekin = 2.48919804649027 | erot = 2.59105984700639 | epot = -21.7395563276218 | etot = -16.6592984341251 -166000 ekin = 2.14880495285182 | erot = 3.05770380831398 | epot = -21.6850566092694 | etot = -16.4785478481036 -167000 ekin = 2.78181890034675 | erot = 2.90402826001928 | epot = -21.5971987360122 | etot = -15.9113515756462 -168000 ekin = 1.74726050172142 | erot = 2.76898886506121 | epot = -21.490566893224 | etot = -16.9743175264414 -169000 ekin = 1.8134289785439 | erot = 2.45780601602371 | epot = -21.4680710936728 | etot = -17.1968360991052 -170000 ekin = 1.69364478039988 | erot = 2.87928997590297 | epot = -21.4668806356843 | etot = -16.8939458793814 -171000 ekin = 2.14879448642638 | erot = 1.61442218455815 | epot = -21.3172106430715 | etot = -17.553993972087 -172000 ekin = 1.68431962963431 | erot = 2.36087816720612 | epot = -21.1539793618528 | etot = -17.1087815650124 -173000 ekin = 2.05784071815669 | erot = 2.17142592689102 | epot = -21.0926393885011 | etot = -16.8633727434534 -174000 ekin = 2.49611606122761 | erot = 3.09665692560806 | epot = -20.9460348670979 | etot = -15.3532618802622 -175000 ekin = 2.61673440848865 | erot = 2.88720331620426 | epot = -20.8525764091519 | etot = -15.348638684459 -176000 ekin = 2.16190213742438 | erot = 2.672518464664 | epot = -20.8442274508468 | etot = -16.0098068487584 -177000 ekin = 2.83236394902013 | erot = 2.81489135382763 | epot = -20.925759607446 | etot = -15.2785043045983 -178000 ekin = 3.17804494293424 | erot = 1.88346790512585 | epot = -21.0677853312893 | etot = -16.0062724832292 -179000 ekin = 2.33267448424065 | erot = 2.85731052069525 | epot = -21.1181390109479 | etot = -15.928154006012 -180000 ekin = 2.39061531304011 | erot = 2.93791308776 | epot = -21.1146449531392 | etot = -15.786116552339 -181000 ekin = 2.79990361156737 | erot = 3.28891520287386 | epot = -21.0834365456108 | etot = -14.9946177311695 -182000 ekin = 3.02616507870526 | erot = 2.3341432703009 | epot = -21.0600545808659 | etot = -15.6997462318597 -183000 ekin = 2.45290144562467 | erot = 2.21141617846262 | epot = -20.911866387917 | etot = -16.2475487638297 -184000 ekin = 2.56560515060991 | erot = 2.7739810551646 | epot = -20.6989716212004 | etot = -15.3593854154259 -185000 ekin = 2.17586139274635 | erot = 1.95913868179524 | epot = -20.5985322435751 | etot = -16.4635321690335 -186000 ekin = 2.07303044902321 | erot = 3.15122816264525 | epot = -20.4965070011281 | etot = -15.2722483894597 -187000 ekin = 2.44319481307615 | erot = 1.92784212082443 | epot = -20.5124982035642 | etot = -16.1414612696636 -188000 ekin = 2.28870879542405 | erot = 2.8871121346017 | epot = -20.6323506293031 | etot = -15.4565296992773 -189000 ekin = 1.68047280237829 | erot = 3.05535775765803 | epot = -20.6378101864803 | etot = -15.901979626444 -190000 ekin = 1.97184665786397 | erot = 2.95271452778009 | epot = -20.6376534135265 | etot = -15.7130922278825 -191000 ekin = 2.30626539196432 | erot = 2.64854814117512 | epot = -20.6037323569656 | etot = -15.6489188238262 -192000 ekin = 3.54976671698926 | erot = 2.91090725702116 | epot = -20.5525508832509 | etot = -14.0918769092405 -193000 ekin = 2.63938438600422 | erot = 3.14409581682352 | epot = -20.5892132844066 | etot = -14.8057330815789 -194000 ekin = 2.67903757365037 | erot = 2.30768318132376 | epot = -20.4753987179501 | etot = -15.488677962976 -195000 ekin = 1.89257615363314 | erot = 2.64508051866103 | epot = -20.4197880125065 | etot = -15.8821313402123 -196000 ekin = 2.29151017050607 | erot = 2.32636787964875 | epot = -20.4440761857987 | etot = -15.8261981356438 -197000 ekin = 2.48344018982905 | erot = 2.5654400941963 | epot = -20.516126938087 | etot = -15.4672466540616 -198000 ekin = 2.01386156849612 | erot = 1.52779840514975 | epot = -20.537160292649 | etot = -16.9955003190031 -199000 ekin = 1.50729232131931 | erot = 2.19878124720506 | epot = -20.5584754599868 | etot = -16.8524018914625 -200000 ekin = 1.64236235330806 | erot = 2.46736341802316 | epot = -20.5387924113648 | etot = -16.4290666400336 -201000 ekin = 2.627066472214 | erot = 2.61321940355396 | epot = -20.6089911163939 | etot = -15.3687052406259 -202000 ekin = 2.3129503751722 | erot = 2.54874856259559 | epot = -20.6732219111123 | etot = -15.8115229733445 -203000 ekin = 1.63961009223968 | erot = 2.10835750593015 | epot = -20.7002051999767 | etot = -16.9522376018069 -204000 ekin = 2.0558049009161 | erot = 1.9161072834091 | epot = -20.8154459612946 | etot = -16.8435337769694 -205000 ekin = 3.04603860094189 | erot = 3.24233043438682 | epot = -20.9297600758299 | etot = -14.6413910405012 -206000 ekin = 2.56775422508359 | erot = 2.20992928465512 | epot = -21.0192669133083 | etot = -16.2415834035696 -207000 ekin = 3.46597997409567 | erot = 2.48427015330086 | epot = -21.151399026488 | etot = -15.2011488990915 -208000 ekin = 2.51159742060494 | erot = 2.22948191756652 | epot = -21.2942477400986 | etot = -16.5531684019271 -209000 ekin = 3.78908644724162 | erot = 2.17660742759513 | epot = -21.4499700336111 | etot = -15.4842761587743 -210000 ekin = 3.03133642129733 | erot = 2.21595982730352 | epot = -21.5648709610245 | etot = -16.3175747124237 -211000 ekin = 1.63075564056512 | erot = 2.12650387194819 | epot = -21.6099552204253 | etot = -17.852695707912 -212000 ekin = 2.67694215598975 | erot = 2.47186432110288 | epot = -21.8481434074352 | etot = -16.6993369303425 -213000 ekin = 2.70688282449408 | erot = 1.96666534072978 | epot = -22.1170796448084 | etot = -17.4435314795845 -214000 ekin = 2.88993887341392 | erot = 3.16392577542175 | epot = -22.1689844550676 | etot = -16.1151198062319 -215000 ekin = 2.59587305508913 | erot = 1.84775314628517 | epot = -22.0799472955547 | etot = -17.6363210941804 -216000 ekin = 2.59710486720184 | erot = 2.79170232594871 | epot = -22.123050002636 | etot = -16.7342428094855 -217000 ekin = 2.50043297628753 | erot = 1.89569946865143 | epot = -22.2232445790842 | etot = -17.8271121341452 -218000 ekin = 2.42608117861514 | erot = 2.42380011003409 | epot = -22.2442965405807 | etot = -17.3944152519314 -219000 ekin = 2.31038806457503 | erot = 2.64910389607574 | epot = -22.2862511100887 | etot = -17.3267591494379 -220000 ekin = 1.69989575631519 | erot = 2.34717348369245 | epot = -22.2936253261379 | etot = -18.2465560861303 -221000 ekin = 2.0597604328414 | erot = 2.4617257870959 | epot = -22.2693428350923 | etot = -17.747856615155 -222000 ekin = 1.56778478035701 | erot = 2.12765432596982 | epot = -22.1639011265163 | etot = -18.4684620201895 -223000 ekin = 1.84761048251748 | erot = 1.88006246465219 | epot = -22.0932628941083 | etot = -18.3655899469387 -224000 ekin = 2.59436846043989 | erot = 2.94714248251079 | epot = -22.1101977210218 | etot = -16.5686867780711 -225000 ekin = 3.30446830369106 | erot = 2.86069163428051 | epot = -22.1130335717329 | etot = -15.9478736337614 -226000 ekin = 3.03148439961004 | erot = 2.0857715841185 | epot = -22.1515480756285 | etot = -17.0342920918999 -227000 ekin = 2.52473737037052 | erot = 3.1515233037479 | epot = -22.2272979755786 | etot = -16.5510373014602 -228000 ekin = 2.32773029487822 | erot = 2.67887550863523 | epot = -22.3289846157579 | etot = -17.3223788122445 -229000 ekin = 2.908632187774 | erot = 2.89972099244786 | epot = -22.4590990625921 | etot = -16.6507458823703 -230000 ekin = 2.30901008738396 | erot = 3.48892218468534 | epot = -22.5811133380347 | etot = -16.7831810659654 -231000 ekin = 2.09445974553368 | erot = 3.10137653837903 | epot = -22.6273628788262 | etot = -17.4315265949135 -232000 ekin = 2.11347252785341 | erot = 1.99214840222577 | epot = -22.6148559367411 | etot = -18.5092350066619 -233000 ekin = 2.31469131808302 | erot = 2.82702779723524 | epot = -22.573468078272 | etot = -17.4317489629538 -234000 ekin = 2.08691986790862 | erot = 2.09006771152617 | epot = -22.5768924885421 | etot = -18.3999049091073 -235000 ekin = 2.43602788311011 | erot = 2.79756094595935 | epot = -22.5841308018507 | etot = -17.3505419727812 -236000 ekin = 2.93232983655883 | erot = 3.05945149934941 | epot = -22.5011281720659 | etot = -16.5093468361576 -237000 ekin = 3.2236915032749 | erot = 3.26810349425041 | epot = -22.3869936414794 | etot = -15.8951986439541 -238000 ekin = 2.4674995923353 | erot = 2.31630563795609 | epot = -22.3210409459325 | etot = -17.5372357156411 -239000 ekin = 2.10887317283391 | erot = 2.47562990634415 | epot = -22.3008221039947 | etot = -17.7163190248166 -240000 ekin = 1.76092230208337 | erot = 2.62077674301801 | epot = -22.2503883436816 | etot = -17.8686892985802 -241000 ekin = 1.93966929781469 | erot = 1.41063904300121 | epot = -22.2367099354244 | etot = -18.8864015946085 -242000 ekin = 3.03220831764684 | erot = 2.02809667614523 | epot = -22.2529237351145 | etot = -17.1926187413224 -243000 ekin = 2.84396619393303 | erot = 1.7910064306681 | epot = -22.2768680265869 | etot = -17.6418954019858 -244000 ekin = 1.94630661585721 | erot = 2.3722540427007 | epot = -22.2272698315535 | etot = -17.9087091729956 -245000 ekin = 2.21268964174709 | erot = 2.75899365563147 | epot = -22.1926413343766 | etot = -17.2209580369981 -246000 ekin = 2.07547606015104 | erot = 2.22089229769683 | epot = -22.119471822751 | etot = -17.8231034649032 -247000 ekin = 1.58341517009487 | erot = 3.06778333448391 | epot = -22.0033087190277 | etot = -17.3521102144489 -248000 ekin = 2.1365138975527 | erot = 3.53502738921423 | epot = -21.8495423719646 | etot = -16.1780010851977 -249000 ekin = 2.17149547481658 | erot = 3.29316066315612 | epot = -21.813933670884 | etot = -16.3492775329113 -250000 ekin = 2.39365756609179 | erot = 2.39580124119371 | epot = -21.767733544404 | etot = -16.9782747371185 -251000 ekin = 1.2828204065042 | erot = 2.24293125468609 | epot = -21.7209613352709 | etot = -18.1952096740806 -252000 ekin = 1.76792385357404 | erot = 2.13774913157991 | epot = -21.715743646839 | etot = -17.8100706616851 -253000 ekin = 2.15844787240193 | erot = 2.59910839140098 | epot = -21.6939194867273 | etot = -16.9363632229244 -254000 ekin = 2.46988601582316 | erot = 1.99393049965303 | epot = -21.6738244724958 | etot = -17.2100079570196 -255000 ekin = 2.31014544453096 | erot = 2.03140480982291 | epot = -21.6888108217887 | etot = -17.3472605674348 -256000 ekin = 2.90570988017011 | erot = 2.61779108741197 | epot = -21.6304219101588 | etot = -16.1069209425767 -257000 ekin = 2.87227426842454 | erot = 2.08598550349753 | epot = -21.5998306482426 | etot = -16.6415708763206 -258000 ekin = 2.06365418401471 | erot = 2.33103720962373 | epot = -21.5019981919811 | etot = -17.1073067983427 -259000 ekin = 2.23106413601668 | erot = 2.88992031738565 | epot = -21.4929751490585 | etot = -16.3719906956562 -260000 ekin = 2.49064109684832 | erot = 2.38083177290805 | epot = -21.4659963710747 | etot = -16.5945235013183 -261000 ekin = 2.09140199827797 | erot = 2.40209752473156 | epot = -21.4076397934529 | etot = -16.9141402704433 -262000 ekin = 2.36091906713393 | erot = 2.66652490187927 | epot = -21.359937125592 | etot = -16.3324931565788 -263000 ekin = 2.2112169796158 | erot = 2.73059503173094 | epot = -21.4187723839513 | etot = -16.4769603726046 -264000 ekin = 2.28961718487933 | erot = 2.75455515229635 | epot = -21.370776058554 | etot = -16.3266037213783 -265000 ekin = 1.71596203334806 | erot = 1.76104932073225 | epot = -21.2034176623527 | etot = -17.7264063082724 -266000 ekin = 2.51424635704546 | erot = 2.09488481391075 | epot = -21.0818656942669 | etot = -16.4727345233107 -267000 ekin = 2.81393895925601 | erot = 2.14232705328249 | epot = -21.1259701200622 | etot = -16.1697041075237 -268000 ekin = 3.10191854871686 | erot = 2.80451383793942 | epot = -21.0933882633302 | etot = -15.1869558766739 -269000 ekin = 3.52550118014125 | erot = 2.35973600910593 | epot = -21.0585255577117 | etot = -15.1732883684645 -270000 ekin = 3.50731584216641 | erot = 1.86855463358785 | epot = -21.093710946541 | etot = -15.7178404707867 -271000 ekin = 3.5675331453682 | erot = 2.0823459971557 | epot = -21.1717850302959 | etot = -15.521905887772 -272000 ekin = 2.43382567191708 | erot = 3.09591378837425 | epot = -21.2584464912718 | etot = -15.7287070309805 -273000 ekin = 2.38177594135517 | erot = 3.14028416008422 | epot = -21.3418702267283 | etot = -15.8198101252889 -274000 ekin = 2.46408091312732 | erot = 2.01407385193325 | epot = -21.3513679347441 | etot = -16.8732131696836 -275000 ekin = 2.45653813926169 | erot = 3.06780010281641 | epot = -21.3769507768006 | etot = -15.8526125347225 -276000 ekin = 2.79508720985829 | erot = 2.87011619931109 | epot = -21.3368600634473 | etot = -15.671656654278 -277000 ekin = 2.21394865880382 | erot = 2.19504097967885 | epot = -21.2606836087454 | etot = -16.8516939702627 -278000 ekin = 2.75723780567064 | erot = 3.25107227641375 | epot = -21.1755556732391 | etot = -15.1672455911547 -279000 ekin = 2.50738352588257 | erot = 1.80312795092014 | epot = -21.119949297869 | etot = -16.8094378210662 -280000 ekin = 2.35419479075042 | erot = 1.7566104351529 | epot = -21.0612865360217 | etot = -16.9504813101184 -281000 ekin = 2.54091624756361 | erot = 2.29354970120309 | epot = -21.0950091005497 | etot = -16.260543151783 -282000 ekin = 2.99712896075656 | erot = 2.42094408338315 | epot = -21.2220089565004 | etot = -15.8039359123607 -283000 ekin = 2.56696810638689 | erot = 2.10068113035835 | epot = -21.403161576838 | etot = -16.7355123400928 -284000 ekin = 2.50149529685552 | erot = 3.12894850572552 | epot = -21.5256946024495 | etot = -15.8952507998684 -285000 ekin = 2.42104861452631 | erot = 1.7773884250687 | epot = -21.6343236201921 | etot = -17.4358865805971 -286000 ekin = 1.95703367775988 | erot = 2.02947038358402 | epot = -21.6777606373854 | etot = -17.6912565760415 -287000 ekin = 2.563069553437 | erot = 2.57822888294094 | epot = -21.7096788412169 | etot = -16.568380404839 -288000 ekin = 2.18408141161779 | erot = 1.69724000161796 | epot = -21.6059228036045 | etot = -17.7246013903687 -289000 ekin = 2.32975723406079 | erot = 1.67288237726622 | epot = -21.4690249265465 | etot = -17.4663853152195 -290000 ekin = 2.22773933829104 | erot = 2.00568808096403 | epot = -21.3936416309443 | etot = -17.1602142116892 -291000 ekin = 1.46140048209222 | erot = 2.68187349132486 | epot = -21.320309661152 | etot = -17.177035687735 -292000 ekin = 2.07752653885401 | erot = 2.42042811850752 | epot = -21.2225710152689 | etot = -16.7246163579074 -293000 ekin = 2.14598735312316 | erot = 1.87232699516306 | epot = -21.1503112105659 | etot = -17.1319968622797 -294000 ekin = 2.15249843510191 | erot = 2.17548638187737 | epot = -21.1209057143321 | etot = -16.7929208973528 -295000 ekin = 2.13417246804068 | erot = 2.31578295657371 | epot = -21.023273761855 | etot = -16.5733183372406 -296000 ekin = 1.52381700282724 | erot = 2.92433462308731 | epot = -21.0839283123442 | etot = -16.6357766864297 -297000 ekin = 2.45165869902145 | erot = 2.17953392904489 | epot = -21.0491333291916 | etot = -16.4179407011252 -298000 ekin = 1.77920935759369 | erot = 2.01251348063453 | epot = -21.0971977522748 | etot = -17.3054749140465 -299000 ekin = 1.87538650376616 | erot = 1.65135039658661 | epot = -21.119277949862 | etot = -17.5925410495092 -300000 ekin = 2.3167056751994 | erot = 1.510902648654 | epot = -21.178913099451 | etot = -17.3513047755976 -301000 ekin = 2.00567209290794 | erot = 2.01270349508404 | epot = -21.2857234594098 | etot = -17.2673478714178 -302000 ekin = 1.78598592595272 | erot = 2.2354055492879 | epot = -21.3905601140029 | etot = -17.3691686387622 -303000 ekin = 2.73278841880507 | erot = 1.64856089415774 | epot = -21.3608973804115 | etot = -16.9795480674487 -304000 ekin = 2.5809493598196 | erot = 2.00558555026353 | epot = -21.400198286629 | etot = -16.8136633765459 -305000 ekin = 2.43647384348742 | erot = 2.28275438290435 | epot = -21.3863075230184 | etot = -16.6670792966266 -306000 ekin = 2.14332823539982 | erot = 2.4338461634411 | epot = -21.3233075109442 | etot = -16.7461331121032 -307000 ekin = 3.21424191196812 | erot = 3.27591538479569 | epot = -21.289790084126 | etot = -14.7996327873622 -308000 ekin = 3.45838026839176 | erot = 2.68116130354006 | epot = -21.3419403426811 | etot = -15.2023987707493 -309000 ekin = 2.38041738433959 | erot = 2.92081370932153 | epot = -21.4463399141034 | etot = -16.1451088204423 -310000 ekin = 2.50977269558789 | erot = 2.34824464102402 | epot = -21.4648074532888 | etot = -16.6067901166769 -311000 ekin = 2.57488628819259 | erot = 2.293754673538 | epot = -21.5151382155269 | etot = -16.6464972537963 -312000 ekin = 2.09623150906876 | erot = 2.93795890592974 | epot = -21.6260240426366 | etot = -16.5918336276381 -313000 ekin = 1.8184499729194 | erot = 2.28463898505893 | epot = -21.6999003790643 | etot = -17.5968114210859 -314000 ekin = 2.3228324174232 | erot = 2.19580475273396 | epot = -21.6870491287185 | etot = -17.1684119585613 -315000 ekin = 1.84546653836013 | erot = 2.13886071139629 | epot = -21.7312132691438 | etot = -17.7468860193873 -316000 ekin = 2.1657114199577 | erot = 3.03124199276298 | epot = -21.7430929234306 | etot = -16.5461395107099 -317000 ekin = 2.42793755919909 | erot = 3.57187833839244 | epot = -21.8303487369249 | etot = -15.8305328393334 -318000 ekin = 2.31418145055206 | erot = 3.02858542885927 | epot = -21.9347898317926 | etot = -16.5920229523813 -319000 ekin = 2.35032973997068 | erot = 3.16078759112674 | epot = -22.0387665246751 | etot = -16.5276491935776 -320000 ekin = 1.78202525445684 | erot = 2.83297321443624 | epot = -22.1187616541783 | etot = -17.5037631852852 -321000 ekin = 2.87441941784728 | erot = 2.26223197636944 | epot = -22.1065455913123 | etot = -16.9698941970956 -322000 ekin = 2.79013397204362 | erot = 2.68769432639935 | epot = -22.1121405540937 | etot = -16.6343122556507 -323000 ekin = 2.070121980457 | erot = 2.31830584817612 | epot = -22.1539458855415 | etot = -17.7655180569083 -324000 ekin = 2.58383941134683 | erot = 2.58296807603305 | epot = -22.1539753505051 | etot = -16.9871678631253 -325000 ekin = 3.43451304817783 | erot = 2.45405386180802 | epot = -21.938960387404 | etot = -16.0503934774181 -326000 ekin = 3.49680929786584 | erot = 2.85196633398113 | epot = -21.8204400999953 | etot = -15.4716644681484 -327000 ekin = 2.68799300805475 | erot = 2.21805195956654 | epot = -21.7892073548558 | etot = -16.8831623872345 -328000 ekin = 1.81477491971657 | erot = 2.35891534842888 | epot = -21.7275637950057 | etot = -17.5538735268602 -329000 ekin = 2.19319322627006 | erot = 2.40717958919081 | epot = -21.6826095784948 | etot = -17.0822367630339 -330000 ekin = 1.87131927244382 | erot = 2.03694340108429 | epot = -21.5934239674847 | etot = -17.6851612939566 -331000 ekin = 2.37197683084608 | erot = 1.80087022346348 | epot = -21.5641185835514 | etot = -17.3912715292419 -332000 ekin = 1.69601394569048 | erot = 2.54947032294377 | epot = -21.5986464339748 | etot = -17.3531621653406 -333000 ekin = 1.59867443991714 | erot = 2.14911483871162 | epot = -21.7162173059518 | etot = -17.9684280273231 -334000 ekin = 2.25811733625553 | erot = 2.62323988136568 | epot = -21.7749416190679 | etot = -16.8935844014467 -335000 ekin = 2.93433632601273 | erot = 3.10350297573268 | epot = -21.7966831809595 | etot = -15.7588438792141 -336000 ekin = 2.76337640462581 | erot = 2.54930710489019 | epot = -21.7180312833467 | etot = -16.4053477738307 -337000 ekin = 3.19235531401951 | erot = 3.87146146874103 | epot = -21.8022396262892 | etot = -14.7384228435286 -338000 ekin = 2.33305125173566 | erot = 2.13094194678887 | epot = -21.8068682042896 | etot = -17.3428750057651 -339000 ekin = 1.71673308889604 | erot = 2.30964121170968 | epot = -21.7941224580796 | etot = -17.7677481574739 -340000 ekin = 1.59424151294027 | erot = 3.16324993863714 | epot = -21.7679173396748 | etot = -17.0104258880973 -341000 ekin = 1.69465464335694 | erot = 3.18694861883744 | epot = -21.7067352043109 | etot = -16.8251319421165 -342000 ekin = 1.81243763026219 | erot = 2.60448215582795 | epot = -21.5993126794634 | etot = -17.1823928933732 -343000 ekin = 3.08243814047349 | erot = 2.9217466333323 | epot = -21.5855979229594 | etot = -15.5814131491536 -344000 ekin = 2.94964594107348 | erot = 3.10231272046816 | epot = -21.5506154266351 | etot = -15.4986567650935 -345000 ekin = 2.34525111670595 | erot = 2.88045261854212 | epot = -21.530734043011 | etot = -16.3050303077629 -346000 ekin = 2.03136740406842 | erot = 3.44352096435563 | epot = -21.4703041890966 | etot = -15.9954158206726 -347000 ekin = 2.34515762081498 | erot = 1.91414074840886 | epot = -21.3488386855954 | etot = -17.0895403163716 -348000 ekin = 2.76763212340836 | erot = 2.78035348102326 | epot = -21.3102796687364 | etot = -15.7622940643048 -349000 ekin = 2.29342234253801 | erot = 3.14526664575919 | epot = -21.3922932631024 | etot = -15.9536042748052 -350000 ekin = 2.17828641691343 | erot = 2.38211689163937 | epot = -21.3570978647003 | etot = -16.7966945561475 -351000 ekin = 2.2787342054874 | erot = 2.85568682453813 | epot = -21.3165609660186 | etot = -16.182139935993 -352000 ekin = 2.70894563927919 | erot = 2.77656375044279 | epot = -21.3565059314145 | etot = -15.8709965416925 -353000 ekin = 1.74748047732915 | erot = 2.14191122851256 | epot = -21.3195625770357 | etot = -17.430170871194 -354000 ekin = 2.30492780756568 | erot = 2.37159952583724 | epot = -21.3742968901642 | etot = -16.6977695567612 -355000 ekin = 2.32493886573112 | erot = 2.38411746089983 | epot = -21.339340741587 | etot = -16.6302844149561 -356000 ekin = 2.9749649543268 | erot = 2.9916655517553 | epot = -21.2468948072712 | etot = -15.2802643011891 -357000 ekin = 1.79541671946026 | erot = 2.13971792108731 | epot = -21.2216819829681 | etot = -17.2865473424205 -358000 ekin = 2.06637919290965 | erot = 1.9076530715578 | epot = -21.2447441674953 | etot = -17.2707119030278 -359000 ekin = 2.02344077580052 | erot = 2.11726163321539 | epot = -21.2183688961264 | etot = -17.0776664871105 -360000 ekin = 2.64012587839158 | erot = 2.43776362828977 | epot = -21.1472477161847 | etot = -16.0693582095033 -361000 ekin = 2.41850555983882 | erot = 2.39054736245265 | epot = -21.2133787743639 | etot = -16.4043258520724 -362000 ekin = 2.2486199222758 | erot = 2.04489136793498 | epot = -21.2088914287919 | etot = -16.9153801385811 -363000 ekin = 3.21904252076974 | erot = 1.79717950163013 | epot = -21.2620537293498 | etot = -16.24583170695 -364000 ekin = 2.9845697448498 | erot = 2.18316673460243 | epot = -21.2883338312843 | etot = -16.120597351832 -365000 ekin = 2.49427392981412 | erot = 2.31205455481896 | epot = -21.4001153296815 | etot = -16.5937868450484 -366000 ekin = 2.61706523565788 | erot = 2.20229130507574 | epot = -21.4506718008962 | etot = -16.6313152601626 -367000 ekin = 2.24650816549397 | erot = 1.87906237362998 | epot = -21.5207044850599 | etot = -17.3951339459359 -368000 ekin = 2.46672276241562 | erot = 2.37638546053105 | epot = -21.5628581383216 | etot = -16.7197499153749 -369000 ekin = 2.03614635149851 | erot = 2.85426887707092 | epot = -21.6803034764487 | etot = -16.7898882478793 -370000 ekin = 2.13410724028005 | erot = 2.17304603842012 | epot = -21.7343761700058 | etot = -17.4272228913057 -371000 ekin = 2.21722409826115 | erot = 2.11058746733929 | epot = -21.6422617131998 | etot = -17.3144501475994 -372000 ekin = 1.88083333566673 | erot = 1.90617172826127 | epot = -21.6005499693118 | etot = -17.8135449053838 -373000 ekin = 1.98298204516521 | erot = 1.78267682128409 | epot = -21.5708808628646 | etot = -17.8052219964153 -374000 ekin = 2.88981201933268 | erot = 1.90326894499807 | epot = -21.4624711307906 | etot = -16.6693901664599 -375000 ekin = 2.31951869092549 | erot = 1.92779670517485 | epot = -21.3521768069862 | etot = -17.1048614108859 -376000 ekin = 2.60113015271722 | erot = 2.31181306588444 | epot = -21.34681055463 | etot = -16.4338673360283 -377000 ekin = 2.23867315344604 | erot = 1.65923992926403 | epot = -21.2611852709131 | etot = -17.363272188203 -378000 ekin = 2.38125181613766 | erot = 2.54002618279121 | epot = -21.2390275318703 | etot = -16.3177495329414 -379000 ekin = 2.06952281308678 | erot = 2.11888196225292 | epot = -21.194025606577 | etot = -17.0056208312373 -380000 ekin = 2.59961269461524 | erot = 2.3751200788503 | epot = -21.1885781090515 | etot = -16.2138453355859 -381000 ekin = 2.42019573552876 | erot = 2.20667402504614 | epot = -21.1989968748535 | etot = -16.5721271142786 -382000 ekin = 2.04746564398744 | erot = 3.34439482672214 | epot = -21.2903574441545 | etot = -15.8984969734449 -383000 ekin = 2.65699216362738 | erot = 1.56546061375907 | epot = -21.3572338418187 | etot = -17.1347810644322 -384000 ekin = 2.43156675693926 | erot = 2.00097327452753 | epot = -21.3434156392382 | etot = -16.9108756077714 -385000 ekin = 1.95152101616516 | erot = 3.28345377140313 | epot = -21.4173973675698 | etot = -16.1824225800015 -386000 ekin = 2.10919215730741 | erot = 2.90700736383436 | epot = -21.3963452767614 | etot = -16.3801457556197 -387000 ekin = 2.34448447096483 | erot = 2.50155013212484 | epot = -21.3487258248084 | etot = -16.5026912217187 -388000 ekin = 2.71771591111729 | erot = 2.76803950274557 | epot = -21.3515918112166 | etot = -15.8658363973537 -389000 ekin = 3.06825183100775 | erot = 3.06148533146046 | epot = -21.4826430036711 | etot = -15.3529058412029 -390000 ekin = 2.56997560639923 | erot = 2.05646161654304 | epot = -21.5623801506968 | etot = -16.9359429277546 -391000 ekin = 2.1110114400687 | erot = 2.44612603817531 | epot = -21.6052888202632 | etot = -17.0481513420191 -392000 ekin = 2.58328475785099 | erot = 2.75249392862464 | epot = -21.7336094646938 | etot = -16.3978307782182 -393000 ekin = 2.03977041996533 | erot = 1.67448219405536 | epot = -21.8740604202474 | etot = -18.1598078062267 -394000 ekin = 2.1229408356241 | erot = 2.43410977254954 | epot = -21.9094739378951 | etot = -17.3524233297214 -395000 ekin = 2.48696003315341 | erot = 2.48225062557349 | epot = -21.8799685903484 | etot = -16.9107579316215 -396000 ekin = 3.18909661029635 | erot = 1.62675064803775 | epot = -21.8520000277039 | etot = -17.0361527693698 -397000 ekin = 2.39161566907255 | erot = 2.17052346752458 | epot = -21.7939512244376 | etot = -17.2318120878404 -398000 ekin = 2.29946433742664 | erot = 2.18115834594542 | epot = -21.7285069861955 | etot = -17.2478843028235 -399000 ekin = 2.65449075133045 | erot = 2.80318185995816 | epot = -21.6503181327212 | etot = -16.1926455214325 -400000 ekin = 1.800915604111 | erot = 2.76596769548035 | epot = -21.6418619272709 | etot = -17.0749786276795 -401000 ekin = 2.35073130822393 | erot = 3.1229922205774 | epot = -21.6675586342212 | etot = -16.1938351054199 -402000 ekin = 3.95550191914708 | erot = 3.58855023837881 | epot = -21.5840051268208 | etot = -14.0399529692949 -403000 ekin = 3.59615502379622 | erot = 3.44558176696768 | epot = -21.5781150073617 | etot = -14.5363782165978 -404000 ekin = 2.50360365952137 | erot = 3.01285184176069 | epot = -21.6258060641303 | etot = -16.1093505628483 -405000 ekin = 2.77241560720113 | erot = 3.10596549510783 | epot = -21.704678917892 | etot = -15.826297815583 -406000 ekin = 2.33934923007339 | erot = 2.04671975867729 | epot = -21.819104286388 | etot = -17.4330352976373 -407000 ekin = 2.34277955096234 | erot = 1.89301717692526 | epot = -21.8450916691373 | etot = -17.6092949412497 -408000 ekin = 1.91561948833426 | erot = 2.19551604353608 | epot = -21.8744041835349 | etot = -17.7632686516646 -409000 ekin = 1.98819074442449 | erot = 1.93870533007334 | epot = -21.921903026697 | etot = -17.9950069521992 -410000 ekin = 1.59047218684375 | erot = 1.93259851333214 | epot = -21.969890787558 | etot = -18.4468200873821 -411000 ekin = 1.88305362601542 | erot = 2.47249081001963 | epot = -22.0985208042931 | etot = -17.742976368258 -412000 ekin = 2.51301623282815 | erot = 2.67550740966365 | epot = -22.2078537029906 | etot = -17.0193300604988 -413000 ekin = 2.81407439938451 | erot = 3.21402559358062 | epot = -22.1310120840187 | etot = -16.1029120910536 -414000 ekin = 2.79247479268938 | erot = 2.73425265524033 | epot = -22.0977113063587 | etot = -16.570983858429 -415000 ekin = 2.47916660937974 | erot = 2.2538291443672 | epot = -22.1646477745644 | etot = -17.4316520208175 -416000 ekin = 3.33232223339091 | erot = 1.56386062957 | epot = -22.1461937000839 | etot = -17.250010837123 -417000 ekin = 3.95877285814837 | erot = 2.43917045295873 | epot = -22.0789469190762 | etot = -15.6810036079691 -418000 ekin = 2.77978041892218 | erot = 2.67961998913593 | epot = -21.9429456651673 | etot = -16.4835452571092 -419000 ekin = 2.38024484823696 | erot = 2.99229133054455 | epot = -21.8677152868896 | etot = -16.4951791081081 -420000 ekin = 1.82267088279317 | erot = 1.83608705422836 | epot = -21.870451160571 | etot = -18.2116932235495 -421000 ekin = 1.36907389827089 | erot = 1.7797704929584 | epot = -21.8376802512791 | etot = -18.6888358600498 -422000 ekin = 1.39969148752264 | erot = 2.73407059574398 | epot = -21.8945647860022 | etot = -17.7608027027356 -423000 ekin = 1.56110844196111 | erot = 3.07614792088633 | epot = -21.9244447660987 | etot = -17.2871884032512 -424000 ekin = 2.34533519268149 | erot = 2.03540102416745 | epot = -21.9949085928942 | etot = -17.6141723760453 -425000 ekin = 2.30531135176125 | erot = 2.5628563075006 | epot = -22.0442964382176 | etot = -17.1761287789557 -426000 ekin = 2.08911806268394 | erot = 3.11967927432985 | epot = -21.9925431949266 | etot = -16.7837458579128 -427000 ekin = 2.15676382580403 | erot = 2.43973499877679 | epot = -21.8818966255662 | etot = -17.2853978009854 -428000 ekin = 1.77792840961357 | erot = 1.65301904457092 | epot = -21.8564247195203 | etot = -18.4254772653358 -429000 ekin = 1.64662621362122 | erot = 2.54748287085176 | epot = -21.8025042608483 | etot = -17.6083951763753 -430000 ekin = 2.65482151975961 | erot = 2.86424448473893 | epot = -21.8233021230657 | etot = -16.3042361185671 -431000 ekin = 2.76450737503174 | erot = 1.57600071919883 | epot = -21.8149424651896 | etot = -17.474434370959 -432000 ekin = 2.55825491646852 | erot = 1.62501657592138 | epot = -21.782511983832 | etot = -17.5992404914421 -433000 ekin = 2.01126969712347 | erot = 2.46583763941079 | epot = -21.8897978226513 | etot = -17.4126904861171 -434000 ekin = 3.04567132520196 | erot = 2.70385575793897 | epot = -22.0064907697329 | etot = -16.256963686592 -435000 ekin = 3.55537447133515 | erot = 1.38977885610833 | epot = -22.1475448623269 | etot = -17.2023915348834 -436000 ekin = 2.99751349357597 | erot = 2.00759426062759 | epot = -22.1521181601551 | etot = -17.1470104059515 -437000 ekin = 3.22719371512018 | erot = 1.7857012571478 | epot = -22.1712823460501 | etot = -17.1583873737822 -438000 ekin = 2.89146439117069 | erot = 1.84455801050198 | epot = -22.1285919294041 | etot = -17.3925695277315 -439000 ekin = 2.4298540579217 | erot = 2.69925899679117 | epot = -22.1231674050022 | etot = -16.9940543502893 -440000 ekin = 2.25394774327534 | erot = 3.00779841178563 | epot = -22.1604171321029 | etot = -16.898670977042 -441000 ekin = 2.90484412816846 | erot = 2.87153501323763 | epot = -22.3059803982533 | etot = -16.5296012568472 -442000 ekin = 2.09031226167651 | erot = 1.73424350391287 | epot = -22.3736918061838 | etot = -18.5491360405944 -443000 ekin = 1.88581876804904 | erot = 2.00333583047903 | epot = -22.4253701402759 | etot = -18.5362155417478 -444000 ekin = 2.07231382818727 | erot = 2.15535274194041 | epot = -22.4449863446106 | etot = -18.2173197744829 -445000 ekin = 2.10994187816787 | erot = 2.27934343705762 | epot = -22.5011906844133 | etot = -18.1119053691878 -446000 ekin = 2.42762161250135 | erot = 2.85815816680871 | epot = -22.5326129135227 | etot = -17.2468331342127 -447000 ekin = 2.18601253591574 | erot = 2.99495256710103 | epot = -22.609768680069 | etot = -17.4288035770523 -448000 ekin = 2.33389346287827 | erot = 2.95385139208094 | epot = -22.6330370332815 | etot = -17.3452921783223 -449000 ekin = 2.34940633774375 | erot = 2.93264896913184 | epot = -22.632810074435 | etot = -17.3507547675594 -450000 ekin = 1.83766660151173 | erot = 1.69672449717286 | epot = -22.577435118717 | etot = -19.0430440200324 -451000 ekin = 1.97812884417234 | erot = 1.92764750146577 | epot = -22.5879223350906 | etot = -18.6821459894525 -452000 ekin = 1.36037939407656 | erot = 1.88463175839662 | epot = -22.5510765694841 | etot = -19.3060654170109 -453000 ekin = 2.08089341129519 | erot = 2.55704963640352 | epot = -22.3855210194734 | etot = -17.7475779717747 -454000 ekin = 1.45876213242879 | erot = 2.19347003321548 | epot = -22.2423919107779 | etot = -18.5901597451336 -455000 ekin = 1.65659111626477 | erot = 2.72276980532162 | epot = -22.0960205273875 | etot = -17.7166596058011 -456000 ekin = 2.34656659310869 | erot = 1.9986137505101 | epot = -22.0123490462426 | etot = -17.6671687026238 -457000 ekin = 2.02190390619673 | erot = 2.36256741542514 | epot = -21.9726531641996 | etot = -17.5881818425778 -458000 ekin = 1.74372434205051 | erot = 2.25707911101456 | epot = -21.9983442618521 | etot = -17.997540808787 -459000 ekin = 2.51332199676583 | erot = 2.31717011174282 | epot = -22.0772270520059 | etot = -17.2467349434973 -460000 ekin = 2.2034722783839 | erot = 2.00072694492175 | epot = -22.0506516825516 | etot = -17.846452459246 -461000 ekin = 2.27677089259524 | erot = 2.92031766851146 | epot = -21.9925449331789 | etot = -16.7954563720722 -462000 ekin = 2.6185812356449 | erot = 1.79402090094851 | epot = -22.0230696595749 | etot = -17.6104675229815 -463000 ekin = 2.59249670562421 | erot = 3.30012727643189 | epot = -21.9571457322291 | etot = -16.064521750173 -464000 ekin = 2.18969352756478 | erot = 2.37346543558646 | epot = -21.8914572439365 | etot = -17.3282982807853 -465000 ekin = 2.55190117035706 | erot = 3.6026040005498 | epot = -21.8125549491858 | etot = -15.6580497782789 -466000 ekin = 1.97953104510473 | erot = 2.88392288093832 | epot = -21.8154103020505 | etot = -16.9519563760074 -467000 ekin = 1.6387129632993 | erot = 2.61654440984279 | epot = -21.8983950281207 | etot = -17.6431376549786 -468000 ekin = 1.11239222475223 | erot = 3.3637902926771 | epot = -21.9583777645662 | etot = -17.4821952471369 -469000 ekin = 1.72382156581199 | erot = 2.77626770299012 | epot = -21.9878353154891 | etot = -17.487746046687 -470000 ekin = 1.8714597310977 | erot = 2.88190687781237 | epot = -22.0448924208381 | etot = -17.291525811928 -471000 ekin = 2.74011620634609 | erot = 2.33779564753422 | epot = -22.0936369539761 | etot = -17.0157251000958 -472000 ekin = 2.69470680116255 | erot = 2.14464177510474 | epot = -22.1704276099478 | etot = -17.3310790336805 -473000 ekin = 2.28376217878235 | erot = 2.08795770091158 | epot = -22.1987443333452 | etot = -17.8270244536512 -474000 ekin = 2.23739040654538 | erot = 2.17996427776831 | epot = -22.2112749348846 | etot = -17.7939202505709 -475000 ekin = 2.52078584565558 | erot = 2.10760071935559 | epot = -22.2127629874904 | etot = -17.5843764224793 -476000 ekin = 2.21655354698253 | erot = 1.76978147174391 | epot = -22.1154823176964 | etot = -18.12914729897 -477000 ekin = 2.49538102143271 | erot = 2.39024231683251 | epot = -22.0840161006559 | etot = -17.1983927623907 -478000 ekin = 1.92447460017176 | erot = 2.05040869255766 | epot = -22.1087248977672 | etot = -18.1338416050377 -479000 ekin = 2.27800579519478 | erot = 3.09893174949893 | epot = -22.0960233927896 | etot = -16.7190858480959 -480000 ekin = 1.67638938499079 | erot = 2.75323401987762 | epot = -22.1000079080955 | etot = -17.6703845032271 -481000 ekin = 1.81944275684786 | erot = 2.94268362469552 | epot = -22.0498104845242 | etot = -17.2876841029808 -482000 ekin = 2.15574027829653 | erot = 2.0725438892243 | epot = -22.0125690425762 | etot = -17.7842848750553 -483000 ekin = 1.49597116676185 | erot = 1.99734627551918 | epot = -21.9777307226356 | etot = -18.4844132803546 -484000 ekin = 1.8484819245566 | erot = 2.33821326463838 | epot = -22.0508318876624 | etot = -17.8641366984674 -485000 ekin = 1.63994328771 | erot = 2.49471615719057 | epot = -22.0805056177628 | etot = -17.9458461728623 -486000 ekin = 1.86887650973413 | erot = 2.15138584351099 | epot = -22.0672609747503 | etot = -18.0469986215052 -487000 ekin = 2.36601044267131 | erot = 3.10120454318392 | epot = -22.1385621074087 | etot = -16.6713471215534 -488000 ekin = 2.28411726066255 | erot = 3.25699291514219 | epot = -22.0925409557863 | etot = -16.5514307799816 -489000 ekin = 2.42268424794998 | erot = 2.54559333727918 | epot = -22.0028229962135 | etot = -17.0345454109843 -490000 ekin = 2.15695777466101 | erot = 3.5405265432528 | epot = -21.8987471713935 | etot = -16.2012628534796 -491000 ekin = 2.21843295915446 | erot = 2.48759605623037 | epot = -21.7849993207689 | etot = -17.0789703053841 -492000 ekin = 2.42523259661774 | erot = 2.76338555140187 | epot = -21.7546976439717 | etot = -16.5660794959521 -493000 ekin = 1.78787643025978 | erot = 2.27566821203155 | epot = -21.8142896153583 | etot = -17.7507449730669 -494000 ekin = 2.08684832766799 | erot = 3.00001715875608 | epot = -21.8562812315893 | etot = -16.7694157451653 -495000 ekin = 2.13573322112433 | erot = 2.49326389133065 | epot = -21.9467671324553 | etot = -17.3177700200003 -496000 ekin = 2.04467628391159 | erot = 2.6162845895522 | epot = -21.9884683374098 | etot = -17.327507463946 -497000 ekin = 2.51418899377052 | erot = 1.70810866993563 | epot = -21.9276447401884 | etot = -17.7053470764823 -498000 ekin = 2.15585318171628 | erot = 1.79538414401099 | epot = -21.8645241799653 | etot = -17.913286854238 -499000 ekin = 3.01701290816369 | erot = 1.75748039597449 | epot = -21.8892368424083 | etot = -17.1147435382701 -500000 ekin = 2.75239118232731 | erot = 2.51840040194924 | epot = -21.8902992314675 | etot = -16.6195076471909 -501000 ekin = 2.67894034986861 | erot = 3.01164832527811 | epot = -21.7709154896334 | etot = -16.0803268144867 -502000 ekin = 1.89316543275823 | erot = 3.89794024057184 | epot = -21.6531840495811 | etot = -15.862078376251 -503000 ekin = 1.79271217239337 | erot = 2.94195973795538 | epot = -21.4642442224488 | etot = -16.7295723121 -504000 ekin = 1.6771855422807 | erot = 3.03652723399754 | epot = -21.3696883509301 | etot = -16.6559755746518 -505000 ekin = 2.71833858397102 | erot = 2.13541162175611 | epot = -21.3703611232649 | etot = -16.5166109175378 -506000 ekin = 2.26393943112 | erot = 2.03997434566047 | epot = -21.3701060081751 | etot = -17.0661922313946 -507000 ekin = 3.13593335317162 | erot = 2.43613799195774 | epot = -21.4594670249601 | etot = -15.8873956798307 -508000 ekin = 2.50977944502594 | erot = 2.54754436309782 | epot = -21.6189261516985 | etot = -16.5616023435747 -509000 ekin = 2.11418702736586 | erot = 2.82587497425585 | epot = -21.7696504732974 | etot = -16.8295884716757 -510000 ekin = 2.14979144320026 | erot = 1.42702348952371 | epot = -21.8372692973069 | etot = -18.2604543645829 -511000 ekin = 2.52507885024672 | erot = 2.75237930607404 | epot = -21.9038675932379 | etot = -16.6264094369171 -512000 ekin = 2.30816398580866 | erot = 2.74440410404474 | epot = -21.9049605915963 | etot = -16.8523925017429 -513000 ekin = 2.48929206456089 | erot = 2.14820879347373 | epot = -21.8691788664222 | etot = -17.2316780083876 -514000 ekin = 2.80085464362196 | erot = 2.54503473578109 | epot = -22.0226541110001 | etot = -16.6767647315971 -515000 ekin = 2.54939499554986 | erot = 1.81858738302198 | epot = -22.114703586072 | etot = -17.7467212075001 -516000 ekin = 2.82421125785514 | erot = 2.22239822832894 | epot = -22.1991501131327 | etot = -17.1525406269486 -517000 ekin = 2.04384407501393 | erot = 2.05286256711726 | epot = -22.223660515307 | etot = -18.1269538731759 -518000 ekin = 2.19097977809323 | erot = 2.75238147912107 | epot = -22.2176385899556 | etot = -17.2742773327413 -519000 ekin = 2.24039331018443 | erot = 2.22517425402749 | epot = -22.3147614078005 | etot = -17.8491938435885 -520000 ekin = 1.89059175672112 | erot = 2.20041051856069 | epot = -22.3991443907322 | etot = -18.3081421154504 -521000 ekin = 2.59226785962331 | erot = 1.8787186288573 | epot = -22.558855864031 | etot = -18.0878693755504 -522000 ekin = 3.47620702193973 | erot = 1.77094959979111 | epot = -22.6529022954593 | etot = -17.4057456737285 -523000 ekin = 2.86949346153076 | erot = 2.45905269319727 | epot = -22.6983641285372 | etot = -17.3698179738092 -524000 ekin = 2.43223643727573 | erot = 2.35710345393931 | epot = -22.6347622840061 | etot = -17.8454223927911 -525000 ekin = 1.58633727726026 | erot = 2.6771932767998 | epot = -22.5981477078776 | etot = -18.3346171538175 -526000 ekin = 1.68956829163897 | erot = 1.56381447059437 | epot = -22.5455188933618 | etot = -19.2921361311285 -527000 ekin = 2.25335664013444 | erot = 1.91897798598234 | epot = -22.438285347212 | etot = -18.2659507210952 -528000 ekin = 2.66417770052522 | erot = 2.81695730712898 | epot = -22.4214392419194 | etot = -16.9403042342652 -529000 ekin = 2.68388271083098 | erot = 3.01210908187864 | epot = -22.4261041670352 | etot = -16.7301123743256 -530000 ekin = 2.58091136149224 | erot = 2.12874327798812 | epot = -22.2849687345625 | etot = -17.5753140950821 -531000 ekin = 2.96791741143998 | erot = 2.35396590663619 | epot = -22.1825114215506 | etot = -16.8606281034744 -532000 ekin = 2.56040610657616 | erot = 2.30869688210952 | epot = -22.1966779750303 | etot = -17.3275749863446 -533000 ekin = 2.47127792277395 | erot = 2.96337405559089 | epot = -22.2034167916881 | etot = -16.7687648133233 -534000 ekin = 2.10109006711395 | erot = 2.06160691104878 | epot = -22.2334884486858 | etot = -18.0707914705231 -535000 ekin = 3.76901503112188 | erot = 2.6463468036932 | epot = -22.2244389422279 | etot = -15.8090771074128 -536000 ekin = 2.76978499488531 | erot = 1.95801212091677 | epot = -22.1621143741426 | etot = -17.4343172583406 -537000 ekin = 2.84173849615256 | erot = 2.62706904536459 | epot = -22.0817906214053 | etot = -16.6129830798882 -538000 ekin = 2.68461551572766 | erot = 2.11438749606247 | epot = -22.0095123737601 | etot = -17.21050936197 -539000 ekin = 2.71441959372568 | erot = 2.40909357772199 | epot = -22.1283805595379 | etot = -17.0048673880902 -540000 ekin = 2.43554469514557 | erot = 2.49366634622684 | epot = -22.2721085965986 | etot = -17.3428975552261 -541000 ekin = 3.40478335851234 | erot = 2.79351301825373 | epot = -22.3438323146239 | etot = -16.1455359378578 -542000 ekin = 2.43305477389315 | erot = 2.89262463310066 | epot = -22.3528484076625 | etot = -17.0271690006687 -543000 ekin = 2.33384318243661 | erot = 2.87812814268662 | epot = -22.3517509549719 | etot = -17.1397796298486 -544000 ekin = 2.20405054763978 | erot = 1.45974147181057 | epot = -22.3200355678433 | etot = -18.656243548393 -545000 ekin = 2.44190363474283 | erot = 2.14425712944393 | epot = -22.3037584455754 | etot = -17.7175976813886 -546000 ekin = 1.97349236865067 | erot = 2.22849747468303 | epot = -22.2610854898172 | etot = -18.0590956464835 -547000 ekin = 2.54002964967593 | erot = 1.88937782138629 | epot = -22.2132220899932 | etot = -17.783814618931 -548000 ekin = 1.68504847096503 | erot = 1.6504983981354 | epot = -22.1188297609737 | etot = -18.7832828918733 -549000 ekin = 1.8698904826159 | erot = 2.68379586673466 | epot = -22.3014742550974 | etot = -17.7477879057469 -550000 ekin = 1.81227590400771 | erot = 1.59168663528122 | epot = -22.4534648123994 | etot = -19.0495022731104 -551000 ekin = 2.18778306678591 | erot = 2.27083852152173 | epot = -22.5132391469467 | etot = -18.0546175586391 -552000 ekin = 2.0524867508114 | erot = 2.50762393323791 | epot = -22.5694064381206 | etot = -18.0092957540712 -553000 ekin = 2.95456875477793 | erot = 2.14561779139538 | epot = -22.6592693777082 | etot = -17.5590828315349 -554000 ekin = 2.82905646744367 | erot = 1.93590782360605 | epot = -22.8091725556775 | etot = -18.0442082646278 -555000 ekin = 2.39158205650881 | erot = 2.26907880603287 | epot = -22.8586370928634 | etot = -18.1979762303218 -556000 ekin = 2.29372548723881 | erot = 2.58079244425137 | epot = -22.9103117359013 | etot = -18.0357938044111 -557000 ekin = 2.83941059371958 | erot = 1.46630907998336 | epot = -22.9934681858733 | etot = -18.6877485121704 -558000 ekin = 2.74456573812684 | erot = 2.01705053511004 | epot = -23.0249165386548 | etot = -18.263300265418 -559000 ekin = 3.32001639007045 | erot = 2.33065957496589 | epot = -23.0702860514081 | etot = -17.4196100863717 -560000 ekin = 3.06548847901962 | erot = 2.32403726670831 | epot = -23.0562195399467 | etot = -17.6666937942187 -561000 ekin = 2.86648091511123 | erot = 2.08496682915783 | epot = -22.9734465855435 | etot = -18.0219988412745 -562000 ekin = 3.27266742525966 | erot = 2.5148755055394 | epot = -22.8741285027176 | etot = -17.0865855719185 -563000 ekin = 2.66038974520286 | erot = 1.64110018949295 | epot = -22.8474543828021 | etot = -18.5459644481063 -564000 ekin = 2.80468636683463 | erot = 2.52664241131886 | epot = -22.8018617517494 | etot = -17.4705329735959 -565000 ekin = 2.64616861412633 | erot = 2.04566022999095 | epot = -22.7506810734506 | etot = -18.0588522293334 -566000 ekin = 2.31863979249599 | erot = 2.17936618392302 | epot = -22.753817383677 | etot = -18.255811407258 -567000 ekin = 1.93243531435252 | erot = 2.8201914219892 | epot = -22.7091974553673 | etot = -17.9565707190256 -568000 ekin = 2.20145087944368 | erot = 2.21735208955968 | epot = -22.7289431019428 | etot = -18.3101401329394 -569000 ekin = 2.47195478734592 | erot = 2.65975337798175 | epot = -22.6704691958401 | etot = -17.5387610305124 -570000 ekin = 2.43702231300343 | erot = 1.88676767986218 | epot = -22.6634145438588 | etot = -18.3396245509932 -571000 ekin = 2.89036429172333 | erot = 2.95615513706037 | epot = -22.6566784173206 | etot = -16.8101589885369 -572000 ekin = 1.93616423502164 | erot = 3.77280866215609 | epot = -22.6161904936583 | etot = -16.9072175964806 -573000 ekin = 2.40449703945409 | erot = 2.31309419006005 | epot = -22.592333216152 | etot = -17.8747419866379 -574000 ekin = 1.69163306749095 | erot = 2.32935369197413 | epot = -22.6465956635078 | etot = -18.6256089040427 -575000 ekin = 1.84139068594293 | erot = 1.86447317795677 | epot = -22.7237799324543 | etot = -19.0179160685546 -576000 ekin = 3.22131124370819 | erot = 2.95816228283025 | epot = -22.6715615977237 | etot = -16.4920880711853 -577000 ekin = 2.86651980816624 | erot = 2.88003300402859 | epot = -22.6040632784101 | etot = -16.8575104662152 -578000 ekin = 2.38036632496091 | erot = 2.76701770395377 | epot = -22.3994142750986 | etot = -17.2520302461839 -579000 ekin = 2.40092915325622 | erot = 1.9941192489901 | epot = -22.2419585433873 | etot = -17.846910141141 -580000 ekin = 2.62012657675686 | erot = 1.97778552777916 | epot = -22.0959374453144 | etot = -17.4980253407783 -581000 ekin = 2.04604501901225 | erot = 3.02029740769394 | epot = -21.969203567202 | etot = -16.9028611404958 -582000 ekin = 2.17538959702762 | erot = 3.10891247706868 | epot = -21.8431272977465 | etot = -16.5588252236502 -583000 ekin = 2.1277994052252 | erot = 2.71423548986473 | epot = -21.8070587526078 | etot = -16.9650238575179 -584000 ekin = 2.99172160795183 | erot = 2.61848378659144 | epot = -21.79936869936 | etot = -16.1891633048167 -585000 ekin = 2.41567815843635 | erot = 2.49971455295247 | epot = -21.7559519530568 | etot = -16.840559241668 -586000 ekin = 3.5784340003808 | erot = 1.99027982649426 | epot = -21.7770294519877 | etot = -16.2083156251126 -587000 ekin = 3.53538631245293 | erot = 1.96660128703793 | epot = -21.754918588089 | etot = -16.2529309885981 -588000 ekin = 2.80370665446806 | erot = 1.58935491344442 | epot = -21.7265541827784 | etot = -17.3334926148659 -589000 ekin = 2.31177964330664 | erot = 2.19607744710081 | epot = -21.7746975125222 | etot = -17.2668404221147 -590000 ekin = 2.5714466329988 | erot = 1.71442868035276 | epot = -21.7777302960456 | etot = -17.491854982694 -591000 ekin = 1.90022629380971 | erot = 3.80795912333789 | epot = -21.8668982157977 | etot = -16.1587127986501 -592000 ekin = 2.10279882895952 | erot = 2.85583901759444 | epot = -21.9108757117546 | etot = -16.9522378652007 -593000 ekin = 1.66307844177278 | erot = 2.45945798543616 | epot = -21.9477120734663 | etot = -17.8251756462574 -594000 ekin = 1.85147702439684 | erot = 2.37601059124117 | epot = -22.0726279896574 | etot = -17.8451403740194 -595000 ekin = 1.62809593102861 | erot = 2.1376140673132 | epot = -22.2629667751952 | etot = -18.4972567768534 -596000 ekin = 1.85098827042652 | erot = 1.55279926082377 | epot = -22.3598865590345 | etot = -18.9560990277842 -597000 ekin = 2.21895198056269 | erot = 2.31253848766694 | epot = -22.4199578312546 | etot = -17.8884673630249 -598000 ekin = 1.87160565114506 | erot = 3.0277507704973 | epot = -22.4911453410919 | etot = -17.5917889194496 -599000 ekin = 2.84158802287444 | erot = 2.1920185610572 | epot = -22.5193833279106 | etot = -17.4857767439789 -600000 ekin = 2.63818657196383 | erot = 2.13278760870029 | epot = -22.4344536662284 | etot = -17.6634794855643 -601000 ekin = 2.95993107274926 | erot = 3.20885509956692 | epot = -22.3072696496284 | etot = -16.1384834773122 -602000 ekin = 2.94299398558342 | erot = 2.68013224377472 | epot = -22.2188520758353 | etot = -16.5957258464772 -603000 ekin = 2.59660369946999 | erot = 2.70989416331592 | epot = -22.1609733489959 | etot = -16.85447548621 -604000 ekin = 1.79240933557438 | erot = 2.1163931677418 | epot = -22.191830604205 | etot = -18.2830281008888 -605000 ekin = 1.83069958852698 | erot = 2.27958589555072 | epot = -22.223893707794 | etot = -18.1136082237163 -606000 ekin = 2.33186424204054 | erot = 2.19630763210353 | epot = -22.1677269529972 | etot = -17.6395550788531 -607000 ekin = 2.71182931402141 | erot = 2.97109858003922 | epot = -22.1521845558164 | etot = -16.4692566617558 -608000 ekin = 2.41997749037237 | erot = 2.41608876723459 | epot = -22.1090787304487 | etot = -17.2730124728417 -609000 ekin = 1.88827272588068 | erot = 2.63293672960969 | epot = -21.998471393382 | etot = -17.4772619378917 -610000 ekin = 3.00352553825308 | erot = 2.17715232945663 | epot = -21.921125149498 | etot = -16.7404472817883 -611000 ekin = 2.45802371980552 | erot = 2.74758446810105 | epot = -21.9175611897393 | etot = -16.7119530018327 -612000 ekin = 2.52205492882348 | erot = 2.13390999483971 | epot = -21.952922358004 | etot = -17.2969574343408 -613000 ekin = 3.0366403087624 | erot = 2.11840093313595 | epot = -22.0002186117394 | etot = -16.8451773698411 -614000 ekin = 2.28547905389303 | erot = 3.00549626246339 | epot = -22.0746950370029 | etot = -16.7837197206465 -615000 ekin = 1.68496895203681 | erot = 2.6238974067784 | epot = -22.0312524650619 | etot = -17.7223861062467 -616000 ekin = 1.93869933628639 | erot = 2.84243572789263 | epot = -22.0598022720905 | etot = -17.2786672079115 -617000 ekin = 2.16688154116712 | erot = 2.51660309412659 | epot = -22.0580971291184 | etot = -17.3746124938247 -618000 ekin = 3.09921969264655 | erot = 2.74549226450141 | epot = -22.0155339259629 | etot = -16.1708219688149 -619000 ekin = 3.43177694169698 | erot = 2.12198343059748 | epot = -21.986089674814 | etot = -16.4323293025195 -620000 ekin = 4.28772375093259 | erot = 2.22706390062221 | epot = -21.9590250230057 | etot = -15.4442373714509 -621000 ekin = 3.0817377949309 | erot = 2.5715302712226 | epot = -21.9009729000649 | etot = -16.2477048339114 -622000 ekin = 2.73165859080048 | erot = 2.62811367428178 | epot = -21.8396158670716 | etot = -16.4798436019893 -623000 ekin = 2.85443766883212 | erot = 2.89934248449797 | epot = -21.6835451183467 | etot = -15.9297649650166 -624000 ekin = 2.03264036935949 | erot = 3.41736745424461 | epot = -21.5163207310271 | etot = -16.066312907423 -625000 ekin = 2.93853121772536 | erot = 2.67773115439888 | epot = -21.3838363274969 | etot = -15.7675739553726 -626000 ekin = 2.62777924734508 | erot = 2.18162282576041 | epot = -21.3730333234904 | etot = -16.5636312503849 -627000 ekin = 2.31990667522995 | erot = 2.39482401666938 | epot = -21.4354987061654 | etot = -16.7207680142661 -628000 ekin = 2.22203953187498 | erot = 2.76412791129531 | epot = -21.5952632825804 | etot = -16.6090958394101 -629000 ekin = 2.21775645889425 | erot = 1.98065436363089 | epot = -21.7562971185524 | etot = -17.5578862960273 -630000 ekin = 2.47359866092386 | erot = 2.13925319586019 | epot = -21.7758191809316 | etot = -17.1629673241476 -631000 ekin = 2.05051856532003 | erot = 1.79291928253663 | epot = -21.7853759251476 | etot = -17.9419380772909 -632000 ekin = 1.64850143430096 | erot = 3.28395498862858 | epot = -21.8317536045469 | etot = -16.8992971816173 -633000 ekin = 2.35005689695082 | erot = 2.3390788040001 | epot = -21.9523909247055 | etot = -17.2632552237546 -634000 ekin = 2.35693540441333 | erot = 2.46483135146881 | epot = -22.0188246134313 | etot = -17.1970578575491 -635000 ekin = 1.98898390231468 | erot = 3.3707265296603 | epot = -22.0674825033302 | etot = -16.7077720713553 -636000 ekin = 2.50980012291046 | erot = 2.48689559173921 | epot = -22.0698487955046 | etot = -17.073153080855 -637000 ekin = 2.77498878878958 | erot = 2.80713853773056 | epot = -21.9907400151913 | etot = -16.4086126886711 -638000 ekin = 2.43806293105884 | erot = 2.79004417520011 | epot = -22.0575076323657 | etot = -16.8294005261068 -639000 ekin = 1.88083948877533 | erot = 2.09676394462429 | epot = -22.048310763883 | etot = -18.0707073304834 -640000 ekin = 2.08188388766029 | erot = 3.35897660071801 | epot = -21.9960574959824 | etot = -16.5551970076041 -641000 ekin = 2.09182696029806 | erot = 2.24096762672331 | epot = -22.0953763111483 | etot = -17.7625817241269 -642000 ekin = 2.29622874060124 | erot = 2.6949832870016 | epot = -22.151409557085 | etot = -17.1601975294822 -643000 ekin = 2.73569648066616 | erot = 2.20073493313118 | epot = -22.0949564882595 | etot = -17.1585250744621 -644000 ekin = 2.8774767032651 | erot = 3.41751476954418 | epot = -22.1298161092011 | etot = -15.8348246363918 -645000 ekin = 2.4290925856966 | erot = 2.10618409243776 | epot = -22.0667334414767 | etot = -17.5314567633423 -646000 ekin = 2.69467422761642 | erot = 1.80008229703286 | epot = -21.8974158987303 | etot = -17.402659374081 -647000 ekin = 2.50876501618975 | erot = 2.02696268329777 | epot = -21.7872910341098 | etot = -17.2515633346223 -648000 ekin = 2.30426131969587 | erot = 1.6458501532655 | epot = -21.8921456933826 | etot = -17.9420342204213 -649000 ekin = 2.59259139367702 | erot = 1.74799625276216 | epot = -22.0338111702567 | etot = -17.6932235238175 -650000 ekin = 2.70418822875775 | erot = 2.18747773876972 | epot = -22.1379356884042 | etot = -17.2462697208768 -651000 ekin = 2.13264787236381 | erot = 3.27713220231 | epot = -22.2140357553834 | etot = -16.8042556807096 -652000 ekin = 2.3441787788075 | erot = 2.31061064519192 | epot = -22.2512463247192 | etot = -17.5964569007197 -653000 ekin = 2.0783895005922 | erot = 2.15412898001082 | epot = -22.2780657745064 | etot = -18.0455472939034 -654000 ekin = 2.30897991961162 | erot = 1.85124051868153 | epot = -22.3104418685982 | etot = -18.150221430305 -655000 ekin = 2.12106061544383 | erot = 1.78500189152084 | epot = -22.2852988882964 | etot = -18.3792363813318 -656000 ekin = 2.4735695444961 | erot = 2.3420013127236 | epot = -22.2660003992253 | etot = -17.4504295420056 -657000 ekin = 2.49468968638545 | erot = 2.86409627910532 | epot = -22.2925124601966 | etot = -16.9337264947059 -658000 ekin = 2.49656210866705 | erot = 2.87057420343463 | epot = -22.2700281258802 | etot = -16.9028918137786 -659000 ekin = 3.4002230119036 | erot = 2.78079262685479 | epot = -22.1392014132181 | etot = -15.9581857744598 -660000 ekin = 2.71468183951524 | erot = 2.00084154317764 | epot = -22.0088760160501 | etot = -17.2933526333572 -661000 ekin = 2.22564214621743 | erot = 2.53966313147986 | epot = -21.8739603827229 | etot = -17.1086551050257 -662000 ekin = 2.02829181839209 | erot = 2.53975139691216 | epot = -21.8209028819505 | etot = -17.2528596666463 -663000 ekin = 2.23525378228906 | erot = 2.31366678132105 | epot = -21.7767349910666 | etot = -17.2278144274565 -664000 ekin = 2.34360790891041 | erot = 1.86434304281456 | epot = -21.6752271215873 | etot = -17.4672761698624 -665000 ekin = 2.6131782266455 | erot = 2.2942197715156 | epot = -21.6042046109401 | etot = -16.696806612779 -666000 ekin = 1.62393527088755 | erot = 2.31134155882296 | epot = -21.5004119311113 | etot = -17.5651351014008 -667000 ekin = 1.67276637494452 | erot = 2.8234547562148 | epot = -21.4092484100762 | etot = -16.9130272789169 -668000 ekin = 2.49690543622955 | erot = 3.27659348221062 | epot = -21.2758920536656 | etot = -15.5023931352255 -669000 ekin = 1.62806554113038 | erot = 2.65931770046313 | epot = -21.2000245357891 | etot = -16.9126412941955 -670000 ekin = 2.23977376187302 | erot = 2.6095972175341 | epot = -21.1325862484852 | etot = -16.2832152690781 -671000 ekin = 2.28188801168356 | erot = 2.16305917244004 | epot = -21.0881674881013 | etot = -16.6432203039777 -672000 ekin = 1.98109020838353 | erot = 1.6545553737063 | epot = -21.0064866117102 | etot = -17.3708410296204 -673000 ekin = 1.94244230895293 | erot = 2.07625571526623 | epot = -20.9829498347911 | etot = -16.964251810572 -674000 ekin = 2.13730353222164 | erot = 2.16737069376511 | epot = -21.0214974795938 | etot = -16.716823253607 -675000 ekin = 2.0738264400087 | erot = 2.48606196350775 | epot = -21.0590224845651 | etot = -16.4991340810486 -676000 ekin = 2.45892166960283 | erot = 2.79866228976047 | epot = -21.091647649138 | etot = -15.8340636897747 -677000 ekin = 2.20625727487218 | erot = 2.63108770232727 | epot = -21.1176354388896 | etot = -16.2802904616901 -678000 ekin = 2.15213590782194 | erot = 2.79904006113487 | epot = -21.0140734470396 | etot = -16.0628974780828 -679000 ekin = 2.18343356480304 | erot = 2.18490396550911 | epot = -20.9181838430532 | etot = -16.549846312741 -680000 ekin = 2.10821203830737 | erot = 2.68505727915271 | epot = -20.9461225832237 | etot = -16.1528532657636 -681000 ekin = 2.19096880009954 | erot = 1.84583521880628 | epot = -21.049747832921 | etot = -17.0129438140152 -682000 ekin = 3.05384884549289 | erot = 2.40296404987894 | epot = -21.0557501140049 | etot = -15.5989372186331 -683000 ekin = 2.86746710745163 | erot = 2.09710011404619 | epot = -21.0757665962385 | etot = -16.1111993747407 -684000 ekin = 1.99137037242252 | erot = 2.9957171615915 | epot = -21.113690638146 | etot = -16.126603104132 -685000 ekin = 1.5741328626647 | erot = 2.03056483786644 | epot = -21.1261282639781 | etot = -17.5214305634469 -686000 ekin = 2.37471898314499 | erot = 2.54238213977475 | epot = -21.1270745420036 | etot = -16.2099734190839 -687000 ekin = 1.90729058124661 | erot = 2.87801884923459 | epot = -21.1165743035804 | etot = -16.3312648730992 -688000 ekin = 2.62048299874671 | erot = 2.25003931366163 | epot = -21.0986223733053 | etot = -16.228100060897 -689000 ekin = 2.68144410783034 | erot = 2.65050786826928 | epot = -21.2128570731653 | etot = -15.8809050970657 -690000 ekin = 2.57020917801037 | erot = 2.48157927371166 | epot = -21.3777687615583 | etot = -16.3259803098363 -691000 ekin = 2.19847693909567 | erot = 2.52609380111695 | epot = -21.4850476477408 | etot = -16.7604769075282 -692000 ekin = 2.34330258125554 | erot = 3.25002655945746 | epot = -21.4986374232228 | etot = -15.9053082825098 -693000 ekin = 2.29392126490893 | erot = 3.00689891870992 | epot = -21.5194889284254 | etot = -16.2186687448065 -694000 ekin = 2.65812969336117 | erot = 2.58735606777937 | epot = -21.7321648892945 | etot = -16.4866791281539 -695000 ekin = 2.4316162204446 | erot = 1.19791474341253 | epot = -21.9242547697609 | etot = -18.2947238059037 -696000 ekin = 1.81693709897036 | erot = 1.47023542418153 | epot = -21.8934819532786 | etot = -18.6063094301267 -697000 ekin = 2.39493869239631 | erot = 2.11395689699314 | epot = -21.9285847092192 | etot = -17.4196891198297 -698000 ekin = 2.35958906151814 | erot = 1.92876427029827 | epot = -22.0159711481531 | etot = -17.7276178163367 -699000 ekin = 2.48368136666702 | erot = 2.56159396613047 | epot = -22.0103910104183 | etot = -16.9651156776208 -700000 ekin = 2.1450801922911 | erot = 2.29917908979014 | epot = -21.922109394496 | etot = -17.4778501124148 -701000 ekin = 2.1745638313557 | erot = 2.20111278634863 | epot = -21.8156387421437 | etot = -17.4399621244394 -702000 ekin = 1.56478756336654 | erot = 2.01119937519508 | epot = -21.7778672436792 | etot = -18.2018803051176 -703000 ekin = 2.06132778292139 | erot = 2.17314611223241 | epot = -21.7930054701539 | etot = -17.5585315750001 -704000 ekin = 2.81983493340982 | erot = 1.94305987211435 | epot = -21.8114535861206 | etot = -17.0485587805964 -705000 ekin = 2.82055978010065 | erot = 2.18251946343581 | epot = -21.766252843205 | etot = -16.7631735996685 -706000 ekin = 1.98110988281637 | erot = 2.32695112193058 | epot = -21.78040819482 | etot = -17.4723471900731 -707000 ekin = 1.91160206821925 | erot = 2.05897248195774 | epot = -21.833053672666 | etot = -17.862479122489 -708000 ekin = 2.49797260430835 | erot = 2.18514664814829 | epot = -21.8432772467022 | etot = -17.1601579942456 -709000 ekin = 2.86869907833219 | erot = 2.56795355151628 | epot = -21.8927607091555 | etot = -16.456108079307 -710000 ekin = 2.19600917748735 | erot = 2.26596247481176 | epot = -21.8688086872618 | etot = -17.4068370349627 -711000 ekin = 2.34017154985874 | erot = 1.44618662245857 | epot = -21.9060063017349 | etot = -18.1196481294176 -712000 ekin = 2.571626566146 | erot = 2.28694259963336 | epot = -22.0214699153591 | etot = -17.1629007495797 -713000 ekin = 1.98520968446438 | erot = 2.33486849904896 | epot = -22.1149578958933 | etot = -17.7948797123799 -714000 ekin = 2.59962138344223 | erot = 2.10724318046303 | epot = -22.1786558411969 | etot = -17.4717912772916 -715000 ekin = 2.4195410390622 | erot = 3.74883662346075 | epot = -22.1475942949397 | etot = -15.9792166324167 -716000 ekin = 2.84279313896907 | erot = 2.86022834631577 | epot = -22.0565535101519 | etot = -16.3535320248671 -717000 ekin = 3.44629592734909 | erot = 3.22665808286196 | epot = -21.9609198250287 | etot = -15.2879658148176 -718000 ekin = 3.10244803746594 | erot = 3.95040927490044 | epot = -21.8593081248118 | etot = -14.8064508124454 -719000 ekin = 2.37775253377205 | erot = 2.95612290233182 | epot = -21.8454876437379 | etot = -16.511612207634 -720000 ekin = 2.21232762300396 | erot = 3.13525351489473 | epot = -21.8232438423991 | etot = -16.4756627045004 -721000 ekin = 1.69400550933915 | erot = 2.23173955948197 | epot = -21.7326772937498 | etot = -17.8069322249286 -722000 ekin = 1.90042078179571 | erot = 2.80431814967802 | epot = -21.7394766818033 | etot = -17.0347377503296 -723000 ekin = 2.36468467929204 | erot = 2.56344225093691 | epot = -21.6720290892733 | etot = -16.7439021590444 -724000 ekin = 1.73517505640396 | erot = 2.45263100900798 | epot = -21.6468054707964 | etot = -17.4589994053844 -725000 ekin = 2.29142999435738 | erot = 2.94537439813943 | epot = -21.7063452187228 | etot = -16.4695408262259 -726000 ekin = 1.63432825555556 | erot = 2.30396244675118 | epot = -21.7456114234691 | etot = -17.8073207211624 -727000 ekin = 2.48133238220639 | erot = 3.20400739682796 | epot = -21.7806560741677 | etot = -16.0953162951334 -728000 ekin = 2.22757813298303 | erot = 2.16464177499475 | epot = -21.7790073705306 | etot = -17.3867874625529 -729000 ekin = 1.89754664123238 | erot = 1.65708384447828 | epot = -21.818793017262 | etot = -18.2641625315513 -730000 ekin = 1.81104622151894 | erot = 2.15772480190845 | epot = -21.8166979693399 | etot = -17.8479269459125 -731000 ekin = 2.20035848812534 | erot = 2.984094437949 | epot = -21.7770198662085 | etot = -16.5925669401341 -732000 ekin = 2.43533262071618 | erot = 2.2714682081237 | epot = -21.6795793034593 | etot = -16.9727784746194 -733000 ekin = 3.07400414774412 | erot = 2.56794551470528 | epot = -21.7282232978635 | etot = -16.0862736354141 -734000 ekin = 2.38495425977383 | erot = 2.02723577856807 | epot = -21.7862523639798 | etot = -17.3740623256379 -735000 ekin = 2.14308578867868 | erot = 1.55617115431814 | epot = -21.8355194712534 | etot = -18.1362625282566 -736000 ekin = 2.14719637814141 | erot = 3.43682718130883 | epot = -21.9432003809582 | etot = -16.359176821508 -737000 ekin = 1.74871923076117 | erot = 3.58265582775873 | epot = -21.961923642904 | etot = -16.6305485843841 -738000 ekin = 2.04024583543123 | erot = 2.50826561687817 | epot = -21.9946639190404 | etot = -17.446152466731 -739000 ekin = 1.85177899677126 | erot = 2.20064138018375 | epot = -22.0123052281368 | etot = -17.9598848511818 -740000 ekin = 2.83857272073312 | erot = 2.79134975714448 | epot = -22.0279140396377 | etot = -16.39799156176 -741000 ekin = 2.46635495152007 | erot = 2.9103294596823 | epot = -22.0794124202159 | etot = -16.7027280090136 -742000 ekin = 2.71465468895042 | erot = 3.27392339093581 | epot = -22.2079531631203 | etot = -16.2193750832341 -743000 ekin = 2.22475007867544 | erot = 3.21169489639582 | epot = -22.3366771138424 | etot = -16.9002321387711 -744000 ekin = 2.01249089419451 | erot = 3.77628990094158 | epot = -22.4195693816618 | etot = -16.6307885865257 -745000 ekin = 3.1550015757828 | erot = 2.315867165247 | epot = -22.4039856366928 | etot = -16.933116895663 -746000 ekin = 2.9760064146713 | erot = 2.63068823711827 | epot = -22.3618535919292 | etot = -16.7551589401397 -747000 ekin = 2.34106182302225 | erot = 2.04664398645464 | epot = -22.354695038859 | etot = -17.9669892293821 -748000 ekin = 2.37138666208783 | erot = 2.40542984904221 | epot = -22.3895155133383 | etot = -17.6126990022083 -749000 ekin = 2.06138370471239 | erot = 2.76626854206187 | epot = -22.3750763140021 | etot = -17.5474240672278 -750000 ekin = 1.64672066604894 | erot = 2.38347386235118 | epot = -22.4369940886927 | etot = -18.4067995602926 -751000 ekin = 1.78177119419735 | erot = 2.81833680350818 | epot = -22.5257071681888 | etot = -17.9255991704833 -752000 ekin = 1.34818171721257 | erot = 1.45846043808637 | epot = -22.6018348796366 | etot = -19.7951927243377 -753000 ekin = 1.87655795218726 | erot = 2.45353295142028 | epot = -22.5520612881159 | etot = -18.2219703845083 -754000 ekin = 1.74975840903648 | erot = 2.74283699647828 | epot = -22.4634749655138 | etot = -17.9708795599991 -755000 ekin = 2.42034607898545 | erot = 2.41190491839854 | epot = -22.3898060492349 | etot = -17.5575550518509 -756000 ekin = 1.85451473741877 | erot = 2.78171703843177 | epot = -22.3128363094556 | etot = -17.6766045336051 -757000 ekin = 1.97510746852342 | erot = 2.51748911462571 | epot = -22.1174762043225 | etot = -17.6248796211734 -758000 ekin = 1.22903408000892 | erot = 2.60716879638028 | epot = -21.9785553297124 | etot = -18.1423524533232 -759000 ekin = 2.21600197663295 | erot = 1.43977874856212 | epot = -22.1451816653321 | etot = -18.4894009401371 -760000 ekin = 2.68031518877979 | erot = 2.41730519207617 | epot = -22.2523665710424 | etot = -17.1547461901865 -761000 ekin = 2.17596592269854 | erot = 2.27182574078646 | epot = -22.3278934724238 | etot = -17.8801018089388 -762000 ekin = 2.18672258558963 | erot = 1.66841951917867 | epot = -22.3560817096941 | etot = -18.5009396049258 -763000 ekin = 2.45624456911328 | erot = 3.353199087397 | epot = -22.4226856635722 | etot = -16.6132420070619 -764000 ekin = 2.82991156680043 | erot = 2.78772749955354 | epot = -22.4168769890428 | etot = -16.7992379226888 -765000 ekin = 1.82695315748762 | erot = 2.76260899367527 | epot = -22.3180874182918 | etot = -17.7285252671289 -766000 ekin = 2.64718727066684 | erot = 2.30809984362825 | epot = -22.1747973384657 | etot = -17.2195102241706 -767000 ekin = 2.57546948652102 | erot = 2.85622460559127 | epot = -22.0792338208857 | etot = -16.6475397287734 -768000 ekin = 1.86461408985655 | erot = 2.77026783876655 | epot = -22.0997460179139 | etot = -17.4648640892908 -769000 ekin = 2.39719072886598 | erot = 2.30714111472591 | epot = -22.1774105238745 | etot = -17.4730786802827 -770000 ekin = 2.47072108127125 | erot = 3.23258521636165 | epot = -22.2814001434105 | etot = -16.5780938457776 -771000 ekin = 2.33036519398503 | erot = 2.29089498051982 | epot = -22.3195270405423 | etot = -17.6982668660374 -772000 ekin = 2.26183241289834 | erot = 3.00933524584073 | epot = -22.4177530473637 | etot = -17.1465853886246 -773000 ekin = 2.23430073882848 | erot = 1.82006063686398 | epot = -22.4857511691573 | etot = -18.4313897934648 -774000 ekin = 2.82253641499965 | erot = 2.20426049452907 | epot = -22.4768371725758 | etot = -17.4500402630471 -775000 ekin = 1.80826097265228 | erot = 1.8594330353803 | epot = -22.4067702410985 | etot = -18.7390762330659 -776000 ekin = 1.40036201749763 | erot = 3.15425759738852 | epot = -22.3648422416548 | etot = -17.8102226267687 -777000 ekin = 1.64191168277988 | erot = 2.80572311301618 | epot = -22.2758078856404 | etot = -17.8281730898443 -778000 ekin = 1.48568750761886 | erot = 2.23411617896699 | epot = -22.2807840878112 | etot = -18.5609804012253 -779000 ekin = 1.86180462326533 | erot = 1.89442532300483 | epot = -22.3101851282869 | etot = -18.5539551820167 -780000 ekin = 1.70083326144506 | erot = 2.31232836878966 | epot = -22.368088335214 | etot = -18.3549267049793 -781000 ekin = 2.10015890171884 | erot = 2.56021799860011 | epot = -22.4467515624801 | etot = -17.7863746621612 -782000 ekin = 2.56555999292579 | erot = 1.95862112685967 | epot = -22.3484071481452 | etot = -17.8242260283597 -783000 ekin = 2.16519753597492 | erot = 2.88346819560595 | epot = -22.2452576468217 | etot = -17.1965919152409 -784000 ekin = 2.82020985681265 | erot = 2.22817695283317 | epot = -22.2217547403593 | etot = -17.1733679307135 -785000 ekin = 3.11754466459225 | erot = 2.90955325829367 | epot = -22.2354545908828 | etot = -16.2083566679969 -786000 ekin = 2.79942218761003 | erot = 3.42875764975157 | epot = -22.250592498505 | etot = -16.0224126611434 -787000 ekin = 2.38458676493535 | erot = 3.01099796177293 | epot = -22.1654452152169 | etot = -16.7698604885087 -788000 ekin = 1.98626456977422 | erot = 2.00275328811937 | epot = -22.1112200648967 | etot = -18.1222022070031 -789000 ekin = 2.44233063979376 | erot = 2.28313889802901 | epot = -22.0447230803812 | etot = -17.3192535425585 -790000 ekin = 3.54880462493947 | erot = 2.80770271341156 | epot = -21.9679846446661 | etot = -15.6114773063151 -791000 ekin = 3.07908349792595 | erot = 2.4183569461896 | epot = -21.9560607901314 | etot = -16.4586203460158 -792000 ekin = 3.91821329297348 | erot = 1.97340936537895 | epot = -21.8852423103708 | etot = -15.9936196520184 -793000 ekin = 2.24372361561433 | erot = 2.58378808209984 | epot = -21.7746367758897 | etot = -16.9471250781755 -794000 ekin = 2.14759663301018 | erot = 2.45362282428674 | epot = -21.6057162069285 | etot = -17.0044967496316 -795000 ekin = 1.62843452575834 | erot = 2.41204885281414 | epot = -21.4428571758252 | etot = -17.4023737972527 -796000 ekin = 2.20611316383669 | erot = 2.13895899282881 | epot = -21.3315860267741 | etot = -16.9865138701086 -797000 ekin = 1.8301274808806 | erot = 1.99903093547351 | epot = -21.3391948873385 | etot = -17.5100364709844 -798000 ekin = 2.25726523935456 | erot = 2.51247281070767 | epot = -21.3769575532967 | etot = -16.6072195032345 -799000 ekin = 1.90933563327017 | erot = 2.87396619489344 | epot = -21.3621013619625 | etot = -16.5787995337988 -800000 ekin = 2.16791860235721 | erot = 2.34759279016547 | epot = -21.2767357657464 | etot = -16.7612243732237 -801000 ekin = 1.87657888051436 | erot = 1.64443435892708 | epot = -21.1205442749523 | etot = -17.5995310355109 -802000 ekin = 2.22680112501959 | erot = 2.21115076271302 | epot = -21.0075202165858 | etot = -16.5695683288532 -803000 ekin = 2.68720281674732 | erot = 1.9055828700456 | epot = -20.9783230569545 | etot = -16.3855373701615 -804000 ekin = 2.34742553306287 | erot = 2.89589931482196 | epot = -20.9208915085851 | etot = -15.6775666607002 -805000 ekin = 1.76090854918944 | erot = 2.71265295620197 | epot = -20.7896819578332 | etot = -16.3161204524417 -806000 ekin = 1.7462870636756 | erot = 2.0675335773069 | epot = -20.7361496593739 | etot = -16.9223290183914 -807000 ekin = 1.56796585063504 | erot = 1.70424554994442 | epot = -20.7915009374418 | etot = -17.5192895368624 -808000 ekin = 2.1089079867654 | erot = 2.39841171836652 | epot = -20.8718914314634 | etot = -16.3645717263314 -809000 ekin = 2.64205233751098 | erot = 1.51708231521757 | epot = -20.860658338686 | etot = -16.7015236859574 -810000 ekin = 3.09559784865049 | erot = 2.66400816236668 | epot = -20.7931361339113 | etot = -15.0335301228942 -811000 ekin = 3.04444079406036 | erot = 3.63356452868707 | epot = -20.8528361945454 | etot = -14.174830871798 -812000 ekin = 2.15160129632237 | erot = 2.79692069084717 | epot = -20.9401885998277 | etot = -15.9916666126582 -813000 ekin = 2.1866812847642 | erot = 3.17352337049868 | epot = -21.140046139319 | etot = -15.7798414840561 -814000 ekin = 1.72120340413861 | erot = 2.99586512288056 | epot = -21.2431304413524 | etot = -16.5260619143332 -815000 ekin = 2.15308486059066 | erot = 2.27039729778303 | epot = -21.2454651427287 | etot = -16.821982984355 -816000 ekin = 2.70853368688568 | erot = 1.52116799452424 | epot = -21.261293152511 | etot = -17.0315914711011 -817000 ekin = 2.58931303514761 | erot = 2.58517904286731 | epot = -21.3952446820623 | etot = -16.2207526040474 -818000 ekin = 2.27857909894085 | erot = 2.24637345033467 | epot = -21.4314613483393 | etot = -16.9065087990638 -819000 ekin = 2.10638790580901 | erot = 3.01120037058918 | epot = -21.4323015928675 | etot = -16.3147133164693 -820000 ekin = 2.45664566148736 | erot = 2.7075790370773 | epot = -21.3792192523262 | etot = -16.2149945537616 -821000 ekin = 2.56775447201567 | erot = 2.5492984098592 | epot = -21.3164894306539 | etot = -16.199436548779 -822000 ekin = 3.57289533285904 | erot = 2.21052116492673 | epot = -21.2854519181088 | etot = -15.502035420323 -823000 ekin = 3.55319917858674 | erot = 2.72446531740647 | epot = -21.2720447371835 | etot = -14.9943802411903 -824000 ekin = 4.11549879731445 | erot = 3.29143140978184 | epot = -21.2030896509282 | etot = -13.7961594438319 -825000 ekin = 2.91512457403517 | erot = 3.47068683775168 | epot = -21.0609871292213 | etot = -14.6751757174345 -826000 ekin = 1.7163898925254 | erot = 1.97834164539342 | epot = -20.8767355772593 | etot = -17.1820040393405 -827000 ekin = 1.87677701795696 | erot = 2.56463384104522 | epot = -20.7854029227346 | etot = -16.3439920637325 -828000 ekin = 2.38062360557162 | erot = 2.54648236886784 | epot = -20.7050759849485 | etot = -15.7779700105091 -829000 ekin = 2.23108302894327 | erot = 1.78470720624501 | epot = -20.6073113475481 | etot = -16.5915211123598 -830000 ekin = 2.54725147866706 | erot = 2.32441333820119 | epot = -20.4877024469931 | etot = -15.6160376301249 -831000 ekin = 2.68575093093387 | erot = 2.09843530086498 | epot = -20.3759551828171 | etot = -15.5917689510182 -832000 ekin = 2.59940424582709 | erot = 2.00750749806411 | epot = -20.1908446114452 | etot = -15.583932867554 -833000 ekin = 2.42127651950715 | erot = 2.60529540830756 | epot = -20.078944485857 | etot = -15.0523725580422 -834000 ekin = 2.84384893680911 | erot = 2.32747318035689 | epot = -20.0706360897591 | etot = -14.8993139725931 -835000 ekin = 2.7678557540129 | erot = 2.75945454275209 | epot = -20.196580890927 | etot = -14.669270594162 -836000 ekin = 2.53473695255286 | erot = 2.86392788167815 | epot = -20.358210381663 | etot = -14.9595455474319 -837000 ekin = 1.73656397849906 | erot = 1.97461102829179 | epot = -20.4142699072864 | etot = -16.7030949004955 -838000 ekin = 1.97190242589771 | erot = 2.78134736415134 | epot = -20.4306923978834 | etot = -15.6774426078343 -839000 ekin = 1.96899626495587 | erot = 2.72126775666989 | epot = -20.4229760480712 | etot = -15.7327120264454 -840000 ekin = 1.7171072647053 | erot = 2.97405496575738 | epot = -20.5310188981682 | etot = -15.8398566677055 -841000 ekin = 2.84263223284519 | erot = 2.84805882649256 | epot = -20.7029997187952 | etot = -15.0123086594574 -842000 ekin = 2.60852389795254 | erot = 2.84079273136912 | epot = -20.7559161264561 | etot = -15.3065994971344 -843000 ekin = 2.05482516428399 | erot = 2.60168054731321 | epot = -20.7398205878817 | etot = -16.0833148762845 -844000 ekin = 1.55484491564895 | erot = 1.93946122833937 | epot = -20.793873895268 | etot = -17.2995677512796 -845000 ekin = 2.34415562398594 | erot = 2.33054915402977 | epot = -20.9292293378503 | etot = -16.2545245598346 -846000 ekin = 2.10828138543307 | erot = 2.31084128804075 | epot = -21.0208568932193 | etot = -16.6017342197455 -847000 ekin = 2.49792342883821 | erot = 2.62762350266534 | epot = -20.9870443583388 | etot = -15.8614974268353 -848000 ekin = 2.16881569142256 | erot = 1.47414765167355 | epot = -21.0272780430065 | etot = -17.3843146999104 -849000 ekin = 2.02577069067687 | erot = 2.48073789957305 | epot = -21.0548829559118 | etot = -16.5483743656619 -850000 ekin = 2.56121323608232 | erot = 2.68216361525941 | epot = -21.0531120198317 | etot = -15.80973516849 -851000 ekin = 2.18318825014005 | erot = 2.93699487251027 | epot = -21.072057934595 | etot = -15.9518748119447 -852000 ekin = 2.47242228011125 | erot = 2.47093974244847 | epot = -21.1036036708141 | etot = -16.1602416482544 -853000 ekin = 2.39779726435527 | erot = 2.98937612414091 | epot = -21.0464025867825 | etot = -15.6592291982864 -854000 ekin = 2.33702117267764 | erot = 2.85284252822427 | epot = -20.9556796853364 | etot = -15.7658159844345 -855000 ekin = 2.34760752254692 | erot = 2.06775496176188 | epot = -20.9732459823191 | etot = -16.5578834980103 -856000 ekin = 2.50439922073455 | erot = 2.74747347867824 | epot = -20.8640767421381 | etot = -15.6122040427253 -857000 ekin = 2.54554426380173 | erot = 3.02043559253138 | epot = -20.7373381265487 | etot = -15.1713582702156 -858000 ekin = 3.06972052097933 | erot = 2.1533020939209 | epot = -20.6779613423402 | etot = -15.45493872744 -859000 ekin = 2.85296234704364 | erot = 2.24390648873861 | epot = -20.6722067614218 | etot = -15.5753379256396 -860000 ekin = 2.81550228271929 | erot = 1.51851082884538 | epot = -20.6725383213113 | etot = -16.3385252097467 -861000 ekin = 2.27514176030031 | erot = 2.84648353799519 | epot = -20.6420712292961 | etot = -15.5204459310006 -862000 ekin = 2.9987675929355 | erot = 1.87057008174782 | epot = -20.6660164836296 | etot = -15.7966788089463 -863000 ekin = 2.82347853622627 | erot = 1.77874439342615 | epot = -20.7576165207476 | etot = -16.1553935910952 -864000 ekin = 2.92188345840032 | erot = 2.64334274850666 | epot = -20.9261206064404 | etot = -15.3608943995334 -865000 ekin = 3.33407052864803 | erot = 2.25520565932836 | epot = -21.0515135151698 | etot = -15.4622373271934 -866000 ekin = 2.86068791662345 | erot = 3.16201991362392 | epot = -21.1397264169455 | etot = -15.1170185866981 -867000 ekin = 2.74707401666422 | erot = 3.06797998358081 | epot = -21.1320468209182 | etot = -15.3169928206732 -868000 ekin = 2.19562503546865 | erot = 2.22513352423332 | epot = -21.0678608919895 | etot = -16.6471023322876 -869000 ekin = 2.92239622436426 | erot = 2.5008962182639 | epot = -21.0133576609085 | etot = -15.5900652182804 -870000 ekin = 2.48942591106965 | erot = 2.13034723792471 | epot = -20.996084603173 | etot = -16.3763114541786 -871000 ekin = 2.19159342044105 | erot = 2.37819238438806 | epot = -20.874805817807 | etot = -16.3050200129778 -872000 ekin = 1.55149762269136 | erot = 2.09773965219071 | epot = -20.8507483226038 | etot = -17.2015110477217 -873000 ekin = 1.39031919518734 | erot = 2.27780516445362 | epot = -20.9245661591995 | etot = -17.2564417995585 -874000 ekin = 1.41307234618125 | erot = 2.76889585749685 | epot = -21.0893130528338 | etot = -16.9073448491557 -875000 ekin = 1.1903759815938 | erot = 2.71897418399016 | epot = -21.2265810734678 | etot = -17.3172309078839 -876000 ekin = 1.81153308354558 | erot = 2.98976206981359 | epot = -21.2471086207564 | etot = -16.4458134673973 -877000 ekin = 2.36285714663855 | erot = 2.036005929661 | epot = -21.3279144058001 | etot = -16.9290513295006 -878000 ekin = 2.12543608141368 | erot = 1.75442210002794 | epot = -21.3225487572348 | etot = -17.4426905757932 -879000 ekin = 2.27283239224876 | erot = 2.70186511894803 | epot = -21.3124243745064 | etot = -16.3377268633096 -880000 ekin = 2.68477293779859 | erot = 2.77341018951834 | epot = -21.3544902274222 | etot = -15.8963071001053 -881000 ekin = 2.87581138753759 | erot = 2.33631707903057 | epot = -21.330399862467 | etot = -16.1182713958988 -882000 ekin = 2.3286795198909 | erot = 2.16799605433164 | epot = -21.25964008372 | etot = -16.7629645094974 -883000 ekin = 2.36016075059912 | erot = 1.97853915282771 | epot = -21.0668204006881 | etot = -16.7281204972613 -884000 ekin = 2.52365942577107 | erot = 2.24976084040446 | epot = -20.9653280828805 | etot = -16.191907816705 -885000 ekin = 2.84734342605207 | erot = 2.26485201008783 | epot = -20.9652017220512 | etot = -15.8530062859113 -886000 ekin = 3.18250292594555 | erot = 1.73451408298307 | epot = -21.0018071240468 | etot = -16.0847901151182 -887000 ekin = 2.68810301741898 | erot = 2.50208813779432 | epot = -21.0684744202113 | etot = -15.878283264998 -888000 ekin = 2.15240565341107 | erot = 2.83219210215604 | epot = -21.1767699295518 | etot = -16.1921721739847 -889000 ekin = 2.16923637104046 | erot = 2.20209706465088 | epot = -21.1021053306932 | etot = -16.7307718950019 -890000 ekin = 1.7855023510616 | erot = 2.98359580087557 | epot = -21.1862135178402 | etot = -16.4171153659031 -891000 ekin = 1.64893562703222 | erot = 2.27727861261825 | epot = -21.3185718288916 | etot = -17.3923575892411 -892000 ekin = 1.96573403811713 | erot = 2.36272783048894 | epot = -21.459073017988 | etot = -17.1306111493819 -893000 ekin = 1.79366158034469 | erot = 1.8414245936827 | epot = -21.5466572595161 | etot = -17.9115710854887 -894000 ekin = 2.81388625610773 | erot = 2.80751276121754 | epot = -21.653645549411 | etot = -16.0322465320857 -895000 ekin = 2.00720208466152 | erot = 2.75365533683677 | epot = -21.7495268499499 | etot = -16.9886694284516 -896000 ekin = 1.6504129469732 | erot = 2.56279209882525 | epot = -21.8921291347682 | etot = -17.6789240889697 -897000 ekin = 1.78028626356388 | erot = 2.35359760186793 | epot = -22.0277295687316 | etot = -17.8938457032998 -898000 ekin = 1.85084740655105 | erot = 2.39311858936893 | epot = -22.0484278013109 | etot = -17.804461805391 -899000 ekin = 1.66159541585127 | erot = 3.04237586636532 | epot = -21.9567167335553 | etot = -17.2527454513387 -900000 ekin = 2.15147578839776 | erot = 2.62380976965387 | epot = -21.9142539059027 | etot = -17.1389683478511 -901000 ekin = 2.41284637562283 | erot = 2.69705294858772 | epot = -21.9824283113928 | etot = -16.8725289871823 -902000 ekin = 2.57612159273654 | erot = 2.40607700278042 | epot = -21.9951115024172 | etot = -17.0129129069002 -903000 ekin = 2.40399270595578 | erot = 2.40563977691886 | epot = -22.0217108129385 | etot = -17.2120783300639 -904000 ekin = 1.99424328949364 | erot = 3.12247316074079 | epot = -22.0941051678023 | etot = -16.9773887175679 -905000 ekin = 2.45187750521127 | erot = 2.11892854013094 | epot = -22.0607781456761 | etot = -17.4899721003339 -906000 ekin = 2.69425177422441 | erot = 1.66991173750643 | epot = -22.0544281667485 | etot = -17.6902646550177 -907000 ekin = 2.57312994796075 | erot = 2.16897016056236 | epot = -22.0362779601713 | etot = -17.2941778516482 -908000 ekin = 2.96409406517859 | erot = 2.4024711800449 | epot = -22.0175634304182 | etot = -16.6509981851947 -909000 ekin = 3.12776536145526 | erot = 2.11994277048498 | epot = -22.0594136296836 | etot = -16.8117054977433 -910000 ekin = 2.92235459450191 | erot = 3.50321314826196 | epot = -22.1261319680945 | etot = -15.7005642253306 -911000 ekin = 1.85367265839013 | erot = 2.7340677155879 | epot = -22.1669720947937 | etot = -17.5792317208157 -912000 ekin = 2.6441002333698 | erot = 1.86322369928707 | epot = -22.1988213519214 | etot = -17.6914974192646 -913000 ekin = 2.46819903214737 | erot = 2.03086240531084 | epot = -22.3188294931139 | etot = -17.8197680556557 -914000 ekin = 2.0189364132938 | erot = 2.94279285834543 | epot = -22.3498562089308 | etot = -17.3881269372916 -915000 ekin = 2.82747738433327 | erot = 2.11633807308138 | epot = -22.3626846124428 | etot = -17.4188691550282 -916000 ekin = 2.54297245214782 | erot = 3.23310309863579 | epot = -22.4639551563544 | etot = -16.6878796055708 -917000 ekin = 2.317284459617 | erot = 2.24259984965456 | epot = -22.4622375561737 | etot = -17.9023532469021 -918000 ekin = 2.08741226822699 | erot = 2.05691148612588 | epot = -22.3736961837371 | etot = -18.2293724293842 -919000 ekin = 2.60375298745589 | erot = 2.38992198070848 | epot = -22.381600437649 | etot = -17.3879254694846 -920000 ekin = 3.21906968424263 | erot = 2.75034755110955 | epot = -22.4644247832706 | etot = -16.4950075479185 -921000 ekin = 2.67870624565115 | erot = 1.98396423697626 | epot = -22.5250790361652 | etot = -17.8624085535378 -922000 ekin = 1.43278887121421 | erot = 1.5212533647767 | epot = -22.5927230801778 | etot = -19.6386808441869 -923000 ekin = 1.69060624417004 | erot = 1.88306141910809 | epot = -22.6640058777009 | etot = -19.0903382144228 -924000 ekin = 2.14344220825837 | erot = 1.52268950055615 | epot = -22.6406273602344 | etot = -18.9744956514199 -925000 ekin = 2.26099137202492 | erot = 1.33050593263702 | epot = -22.5231436368656 | etot = -18.9316463322036 -926000 ekin = 2.00910763305932 | erot = 2.07375747532886 | epot = -22.4432067940419 | etot = -18.3603416856537 -927000 ekin = 2.53244780866363 | erot = 1.99782770480987 | epot = -22.5729932869624 | etot = -18.0427177734889 -928000 ekin = 2.57222338912656 | erot = 2.50502398255852 | epot = -22.7398443943546 | etot = -17.6625970226695 -929000 ekin = 2.6604125156482 | erot = 1.82856993040844 | epot = -22.7887212302343 | etot = -18.2997387841776 -930000 ekin = 2.41305450735431 | erot = 2.00588068310628 | epot = -22.8018421191433 | etot = -18.3829069286827 -931000 ekin = 3.02564328504603 | erot = 2.11587474765859 | epot = -22.7554011904621 | etot = -17.6138831577575 -932000 ekin = 2.345493847807 | erot = 1.88252953078422 | epot = -22.8017329710419 | etot = -18.5737095924506 -933000 ekin = 2.1694502869689 | erot = 2.85662500627744 | epot = -22.8226969360083 | etot = -17.796621642762 -934000 ekin = 2.17146721978253 | erot = 2.11951749144879 | epot = -22.863822849274 | etot = -18.5728381380427 -935000 ekin = 2.34458616912959 | erot = 2.23416576036772 | epot = -22.8574077017674 | etot = -18.2786557722701 -936000 ekin = 2.28175701976408 | erot = 2.53013652057632 | epot = -22.9767476232764 | etot = -18.164854082936 -937000 ekin = 2.30615675948239 | erot = 2.82847988543263 | epot = -23.0701138758201 | etot = -17.9354772309051 -938000 ekin = 2.44231188769576 | erot = 2.0074347584303 | epot = -23.1347662810948 | etot = -18.6850196349687 -939000 ekin = 2.97733385945386 | erot = 2.10203628017719 | epot = -23.1190097237646 | etot = -18.0396395841336 -940000 ekin = 3.7421677147709 | erot = 2.68152697601896 | epot = -23.0475806158046 | etot = -16.6238859250147 -941000 ekin = 3.11295236744588 | erot = 2.28688684379554 | epot = -22.9429748609955 | etot = -17.5431356497541 -942000 ekin = 3.46623937507365 | erot = 1.87520710821393 | epot = -22.9025531718167 | etot = -17.5611066885292 -943000 ekin = 3.79173660111055 | erot = 2.70947594186532 | epot = -22.8673682470227 | etot = -16.3661557040469 -944000 ekin = 2.65981718352589 | erot = 2.74921677045581 | epot = -22.8292657284419 | etot = -17.4202317744602 -945000 ekin = 2.54666185018866 | erot = 2.02257137114126 | epot = -22.723461570169 | etot = -18.154228348839 -946000 ekin = 2.4639439434652 | erot = 1.67047296565225 | epot = -22.5521488157529 | etot = -18.4177319066355 -947000 ekin = 2.40802147360554 | erot = 1.99436728079209 | epot = -22.4558507483505 | etot = -18.0534619939529 -948000 ekin = 3.53638943439814 | erot = 2.58008822568542 | epot = -22.320526737886 | etot = -16.2040490778025 -949000 ekin = 2.98836642878581 | erot = 2.43483192716865 | epot = -22.1062186298424 | etot = -16.6830202738879 -950000 ekin = 1.8506029036585 | erot = 3.01144415000371 | epot = -21.9461665434677 | etot = -17.0841194898055 -951000 ekin = 2.24126333899115 | erot = 2.360964782598 | epot = -21.903362150983 | etot = -17.3011340293938 -952000 ekin = 2.17635665089897 | erot = 1.66171020386367 | epot = -21.8837115918785 | etot = -18.0456447371159 -953000 ekin = 2.32438986511484 | erot = 1.96772774373572 | epot = -21.8620448131731 | etot = -17.5699272043226 -954000 ekin = 1.49063234940533 | erot = 3.34928565739799 | epot = -21.7945452107542 | etot = -16.9546272039509 -955000 ekin = 1.88418951039555 | erot = 2.69014814861619 | epot = -21.7200686498238 | etot = -17.1457309908121 -956000 ekin = 1.69291601426871 | erot = 2.1645662569751 | epot = -21.67000557149 | etot = -17.8125233002462 -957000 ekin = 1.73501465937615 | erot = 1.64299266035092 | epot = -21.6537546166965 | etot = -18.2757472969694 -958000 ekin = 1.60433119962989 | erot = 2.19178936617743 | epot = -21.6456701616229 | etot = -17.8495495958156 -959000 ekin = 2.59325237116392 | erot = 2.48228488776355 | epot = -21.6578286055141 | etot = -16.5822913465866 -960000 ekin = 2.55452313966818 | erot = 2.05772019404723 | epot = -21.6609487080123 | etot = -17.0487053742969 -961000 ekin = 2.2782724554851 | erot = 2.17961583407472 | epot = -21.6530067200073 | etot = -17.1951184304475 -962000 ekin = 1.6603646541701 | erot = 3.50991264012086 | epot = -21.6636215038227 | etot = -16.4933442095318 -963000 ekin = 1.98983107474213 | erot = 1.50487996807377 | epot = -21.607445249844 | etot = -18.1127342070281 -964000 ekin = 2.1801653377091 | erot = 2.29029841094579 | epot = -21.5573031984776 | etot = -17.0868394498227 -965000 ekin = 2.10786877123582 | erot = 2.32216595776003 | epot = -21.5484811250514 | etot = -17.1184463960556 -966000 ekin = 3.14104688246034 | erot = 3.41837947669167 | epot = -21.5824220489405 | etot = -15.0229956897885 -967000 ekin = 3.05692240987348 | erot = 2.17321453760644 | epot = -21.5249732131507 | etot = -16.2948362656708 -968000 ekin = 2.05076027636617 | erot = 2.141245653077 | epot = -21.4468841606018 | etot = -17.2548782311586 -969000 ekin = 2.21533565656662 | erot = 2.21730696558968 | epot = -21.3811315205225 | etot = -16.9484888983662 -970000 ekin = 2.44655838306382 | erot = 2.63914635686249 | epot = -21.3181700854761 | etot = -16.2324653455498 -971000 ekin = 2.47235597423318 | erot = 2.68612281916571 | epot = -21.3025617859469 | etot = -16.1440829925481 -972000 ekin = 3.18960516897918 | erot = 2.4589698172248 | epot = -21.2512287640521 | etot = -15.6026537778481 -973000 ekin = 3.35448615918215 | erot = 2.61012714046349 | epot = -21.181846043468 | etot = -15.2172327438223 -974000 ekin = 2.7109696336397 | erot = 2.1297885006349 | epot = -21.0805156487717 | etot = -16.2397575144971 -975000 ekin = 1.81281242624849 | erot = 2.07588193669119 | epot = -20.9951812472117 | etot = -17.106486884272 -976000 ekin = 2.37607937449446 | erot = 1.37987096361839 | epot = -20.8918377653923 | etot = -17.1358874272794 -977000 ekin = 2.85561145367248 | erot = 3.03617871388547 | epot = -21.0084630734088 | etot = -15.1166729058509 -978000 ekin = 3.13898187042855 | erot = 3.01123432026038 | epot = -21.0722585106273 | etot = -14.9220423199384 -979000 ekin = 3.64209617929686 | erot = 2.4613128172747 | epot = -20.9585875203481 | etot = -14.8551785237765 -980000 ekin = 3.43702129901554 | erot = 3.27336305014796 | epot = -20.899855999005 | etot = -14.1894716498415 -981000 ekin = 2.95818777403214 | erot = 2.46809133944498 | epot = -20.986328819352 | etot = -15.5600497058749 -982000 ekin = 2.05833121455625 | erot = 2.23576836357638 | epot = -21.0416114809553 | etot = -16.7475119028227 -983000 ekin = 2.55525912528627 | erot = 1.97278253435511 | epot = -21.0429704338791 | etot = -16.5149287742377 -984000 ekin = 2.32118186028681 | erot = 2.58283774029526 | epot = -21.0821921217354 | etot = -16.1781725211533 -985000 ekin = 2.30313916872571 | erot = 3.01566259403689 | epot = -21.1725352249725 | etot = -15.8537334622099 -986000 ekin = 2.02463184559008 | erot = 2.17884306421032 | epot = -21.2738965581199 | etot = -17.0704216483195 -987000 ekin = 2.38600679522579 | erot = 1.60423682215952 | epot = -21.2561563051098 | etot = -17.2659126877245 -988000 ekin = 2.73915294843957 | erot = 2.71140680891282 | epot = -21.1542786885715 | etot = -15.7037189312192 -989000 ekin = 2.26683184377889 | erot = 2.87747329962287 | epot = -21.0926545062066 | etot = -15.9483493628049 -990000 ekin = 2.20939931770178 | erot = 2.59683743799389 | epot = -21.0191461353302 | etot = -16.2129093796345 -991000 ekin = 2.18257135988803 | erot = 2.54653688104725 | epot = -20.9118811472645 | etot = -16.1827729063292 -992000 ekin = 1.69790066377666 | erot = 2.49595921156529 | epot = -20.9746634507321 | etot = -16.7808035753901 -993000 ekin = 1.37402706728143 | erot = 1.97741928391721 | epot = -21.0641158581349 | etot = -17.7126695069363 -994000 ekin = 1.46483900547317 | erot = 2.95778549110336 | epot = -21.1249692907517 | etot = -16.7023447941752 -995000 ekin = 2.31288950128446 | erot = 1.68061050856792 | epot = -21.1893866548865 | etot = -17.1958866450341 -996000 ekin = 2.91614737481324 | erot = 2.86807519675625 | epot = -21.1735004751445 | etot = -15.389277903575 -997000 ekin = 3.14120073227004 | erot = 2.13892252916595 | epot = -21.1699471293629 | etot = -15.8898238679269 -998000 ekin = 2.24295362120275 | erot = 3.02318042682039 | epot = -21.1015606373099 | etot = -15.8354265892868 -999000 ekin = 2.61556215485409 | erot = 1.7387146959943 | epot = -21.020005228283 | etot = -16.6657283774346 -1000000 ekin = 2.3401430299422 | erot = 2.86437072240568 | epot = -21.0184376568778 | etot = -15.8139239045299 - 1000000 0.10400636 -1.3745197 0.060867347 -1.1673934 0.00013768636 -Loop time of 34.1939 on 4 procs for 1000000 steps with 16 atoms - -Performance: 25267.628 tau/day, 29244.940 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 | 0.63601 | 12.258 | 23.186 | 288.0 | 35.85 -Bond | 0.0885 | 0.40672 | 0.6818 | 42.6 | 1.19 -Neigh | 0 | 0 | 0 | 0.0 | 0.00 -Comm | 2.65 | 2.786 | 2.9058 | 5.7 | 8.15 -Output | 1.9e-05 | 2.575e-05 | 2.8e-05 | 0.0 | 0.00 -Modify | 0.21592 | 2.7491 | 5.2145 | 132.7 | 8.04 -Other | | 15.99 | | | 46.78 - -Nlocal: 4.0 ave 8.0 max 0.0 min -Histogram: 1 1 0 0 0 0 0 0 1 1 -Nghost: 11.0 ave 14.0 max 8.0 min -Histogram: 1 1 0 0 0 0 0 0 1 1 -Neighs: 41.75 ave 81.0 max 0.0 min -Histogram: 1 1 0 0 0 0 0 0 0 2 - -Total # of neighbors = 167 -Ave neighs/atom = 10.4375 -Ave special neighs/atom = 3.75 -Neighbor list builds = 0 -Dangerous builds = 0 - -#write_restart config.${number}.* -Total wall time: 0:00:34 diff --git a/examples/PACKAGES/cgdna/examples/oxDNA2/duplex3/data.duplex3 b/examples/PACKAGES/cgdna/examples/oxDNA2/duplex3/data.duplex3 index bbd584163b..d2556f87e9 100644 --- a/examples/PACKAGES/cgdna/examples/oxDNA2/duplex3/data.duplex3 +++ b/examples/PACKAGES/cgdna/examples/oxDNA2/duplex3/data.duplex3 @@ -1,73 +1,68 @@ -# LAMMPS data file +LAMMPS data file via write_data, version 27 May 2021 + 10 atoms -10 ellipsoids -8 bonds - 4 atom types +8 bonds 1 bond types +10 ellipsoids -# System size --20.000000 20.000000 xlo xhi --20.000000 20.000000 ylo yhi --20.000000 20.000000 zlo zhi +-20 20 xlo xhi +-20 20 ylo yhi +-20 20 zlo zhi Masses -1 1.0 -2 1.0 -3 1.0 -4 1.0 +1 1 +2 1 +3 1 +4 1 -# Atom-ID, type, position, molecule-ID, ellipsoid flag, density -Atoms +Atoms # hybrid -1 1 -6.000000000000001e-01 0.000000000000000e+00 0.000000000000000e+00 1 1 1 -2 2 -4.860249842674776e-01 -3.518234140414736e-01 3.897628551303122e-01 1 1 1 -3 3 -1.874009511073395e-01 -5.699832309147915e-01 7.795257102606244e-01 1 1 1 -4 4 1.824198365552941e-01 -5.715968887521518e-01 1.169288565390937e+00 1 1 1 -5 1 4.829362784135484e-01 -3.560513319622209e-01 1.559051420521249e+00 1 1 1 -6 4 -4.829362784135484e-01 3.560513319622209e-01 1.559051420521249e+00 2 1 1 -7 1 -1.824198365552941e-01 5.715968887521516e-01 1.169288565390937e+00 2 1 1 -8 2 1.874009511073395e-01 5.699832309147913e-01 7.795257102606243e-01 2 1 1 -9 3 4.860249842674775e-01 3.518234140414733e-01 3.897628551303121e-01 2 1 1 -10 4 5.999999999999996e-01 -1.332267629550188e-16 -1.110223024625157e-16 2 1 1 +1 1 -0.11270997503399371 -0.7862611620723637 1.3165400870544903 1 1 0.060395054525384434 0 0 0 +2 2 -0.16100240482903602 -1.0148422652606093 1.7725173088171975 1 1 0.060395054525384434 0 0 0 +3 3 -0.07298109176865208 -1.2058352049378398 2.2155374630046025 1 1 0.060395054525384434 0 0 0 +4 4 0.20885923193243378 -1.2688318677749852 2.7293157091426354 1 1 0.060395054525384434 0 0 0 +5 1 0.4977080746488808 -1.1877183116613397 3.1217952838980874 1 1 0.060395054525384434 0 0 0 +6 4 -0.2268968274787041 -0.189603020612256 3.1084583050105072 2 1 0.060395054525384434 0 0 0 +7 1 -0.0350302960648884 -0.11245734514413211 2.7014501755341493 2 1 0.060395054525384434 0 0 0 +8 2 0.25244681036675387 -0.03694235704351071 2.3220950502861553 2 1 0.060395054525384434 0 0 0 +9 3 0.6676541258850296 -0.19471246409842435 2.0340464261767104 2 1 0.060395054525384434 0 0 0 +10 4 0.934602266948905 -0.5194117909409754 1.8612193115349325 2 1 0.060395054525384434 0 0 0 -# Atom-ID, translational velocity, angular momentum Velocities -1 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 -2 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 -3 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 -4 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 -5 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 -6 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 -7 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 -8 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 -9 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 -10 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 +1 0.7350861197179651 -0.21340767305489933 0.039697389523131524 0.514970941606362 -0.5778402699166201 0.41643574848945447 +2 0.45886825731636693 0.15479323180826426 0.45998155912439004 -0.09532046111956156 -0.028811462065931184 0.1672428695820793 +3 -0.10009582230026307 -0.1356043155573722 -0.1357102030132947 0.512435093836635 0.8794667047362844 -0.4062045597142004 +4 -0.030407148345627223 -0.009119685021467273 0.2894674569635424 -0.22197357320787495 0.46474035192627294 -0.07166539037437039 +5 0.021807141873185235 -0.3544326055489752 0.4440408124043861 -0.019877710182688496 0.008454084203717545 -0.16574323908949498 +6 0.058814594979770644 -0.23964725458291067 0.09430081861001074 -0.16841516333125345 -0.27499692207835863 0.49231682345951117 +7 -0.004278840261670186 0.011171100752661912 -0.10686407869958243 0.3533956051874728 -0.5781793964284943 0.171273466705473 +8 -0.5678723978567293 -0.05635280062816237 -0.12337612014269532 -0.06293014166900977 -0.5548255617488771 -0.3948679676680598 +9 0.07493146865794496 0.37868089841113717 0.11143666048372917 -0.35561925325917687 -0.3453461570214745 -0.5277976799082732 +10 -0.48819053761319386 -0.11027061946453155 0.19465531836187655 0.10340969323917759 0.3809806548307742 0.25623918588602335 -# Atom-ID, shape, quaternion -Ellipsoids - -1 3.1622776601683795+00 3.1622776601683795+00 3.1622776601683795+00 1.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 -2 3.1622776601683795+00 3.1622776601683795+00 3.1622776601683795+00 9.513258223252946e-01 0.000000000000000e+00 0.000000000000000e+00 3.081869234362515e-01 -3 3.1622776601683795+00 3.1622776601683795+00 3.1622776601683795+00 8.100416404457962e-01 0.000000000000000e+00 0.000000000000000e+00 5.863723567357894e-01 -4 3.1622776601683795+00 3.1622776601683795+00 3.1622776601683795+00 5.899012371043606e-01 0.000000000000000e+00 0.000000000000000e+00 8.074754054847398e-01 -5 3.1622776601683795+00 3.1622776601683795+00 3.1622776601683795+00 3.123349185122326e-01 0.000000000000000e+00 0.000000000000000e+00 9.499720515246527e-01 -6 3.1622776601683795+00 3.1622776601683795+00 3.1622776601683795+00 0.000000000000000e+00 9.499720515246527e-01 -3.123349185122326e-01 -0.000000000000000e+00 -7 3.1622776601683795+00 3.1622776601683795+00 3.1622776601683795+00 0.000000000000000e+00 8.074754054847401e-01 -5.899012371043604e-01 0.000000000000000e+00 -8 3.1622776601683795+00 3.1622776601683795+00 3.1622776601683795+00 0.000000000000000e+00 5.863723567357896e-01 -8.100416404457959e-01 0.000000000000000e+00 -9 3.1622776601683795+00 3.1622776601683795+00 3.1622776601683795+00 -0.000000000000000e+00 -3.081869234362514e-01 9.513258223252947e-01 0.000000000000000e+00 -10 3.1622776601683795+00 3.1622776601683795+00 3.1622776601683795+00 -0.000000000000000e+00 1.110223024625157e-16 1.000000000000000e+00 -0.000000000000000e+00 - -# Bond topology Bonds -1 1 1 2 -2 1 2 3 -3 1 3 4 -4 1 4 5 -5 1 6 7 -6 1 7 8 -7 1 8 9 -8 1 9 10 +1 1 1 2 +2 1 2 3 +3 1 3 4 +4 1 4 5 +5 1 6 7 +6 1 7 8 +7 1 8 9 +8 1 9 10 + +Ellipsoids + +1 3.1622776601683795 3.1622776601683795 3.1622776601683795 0.9824438652148015 -0.023183015026523597 -0.18238525095550406 0.031657854475291056 +2 3.1622776601683795 3.1622776601683795 3.1622776601683795 0.9303156820429525 0.02962373336578937 -0.07607439157272995 0.3575581814380256 +3 3.1622776601683795 3.1622776601683795 3.1622776601683795 0.7912072782182723 -0.043679545103099016 -0.05996218100443608 0.6070318583758278 +4 3.1622776601683795 3.1622776601683795 3.1622776601683795 0.6531869542452552 -0.03659000162837596 0.004181596561545229 0.7563005281201641 +5 3.1622776601683795 3.1622776601683795 3.1622776601683795 0.3249781771672557 0.06207197535108856 0.03689277251937633 0.9429608568635791 +6 3.1622776601683795 3.1622776601683795 3.1622776601683795 0.08029535222204207 0.8726095530830543 -0.46831094470633033 -0.11309325067392484 +7 3.1622776601683795 3.1622776601683795 3.1622776601683795 -0.1303991484205687 0.7764383491760718 -0.6081660772848121 0.10135864274905797 +8 3.1622776601683795 3.1622776601683795 3.1622776601683795 -0.14971034142173664 0.5769499085020084 -0.7973230447846137 0.09482393688465168 +9 3.1622776601683795 3.1622776601683795 3.1622776601683795 0.21130729744233523 -0.37917864508185584 0.8946270178621702 -0.10590221939385809 +10 3.1622776601683795 3.1622776601683795 3.1622776601683795 0.34278400171414436 0.15185237372800306 0.9252984668160771 0.05712032974191834 diff --git a/examples/PACKAGES/cgdna/examples/oxDNA2/duplex3/in.duplex3 b/examples/PACKAGES/cgdna/examples/oxDNA2/duplex3/in.duplex3 index 8c917321c7..0dba271f98 100644 --- a/examples/PACKAGES/cgdna/examples/oxDNA2/duplex3/in.duplex3 +++ b/examples/PACKAGES/cgdna/examples/oxDNA2/duplex3/in.duplex3 @@ -2,6 +2,7 @@ variable number equal 3 variable ofreq equal 1000 variable efreq equal 1000 variable T equal 0.1 +variable rhos equal 0.2 units lj @@ -11,11 +12,11 @@ newton off boundary p p p -atom_style hybrid bond ellipsoid +atom_style hybrid bond ellipsoid oxdna atom_modify sort 0 1.0 # Pair interactions require lists of neighbours to be calculated -neighbor 1.0 bin +neighbor 2.0 bin neigh_modify every 1 delay 0 check yes read_data data.duplex3 @@ -38,30 +39,19 @@ 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 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} 1.0 0.815 +pair_coeff * * oxdna2/dh ${T} ${rhos} 0.815 # NVE ensemble -fix 1 all nve/dot -#fix 1 all nve/dotc/langevin ${T} ${T} 0.03 457145 angmom 10 -#fix 1 all nve/asphere -#fix 2 all langevin ${T} ${T} 0.03 457145 angmom 10 +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 10000 1.1 rcb -comm_modify cutoff 2.5 +fix 3 all balance 1000 1.03 shift xyz 10 1.03 +comm_modify cutoff 3.8 -#compute mol all chunk/atom molecule -#compute mychunk all vcm/chunk mol -#fix 4 all ave/time 10000 1 10000 c_mychunk[1] c_mychunk[2] c_mychunk[3] file vcm.txt mode vector - -#dump pos all xyz ${ofreq} traj.${number}.xyz - -#compute quat all property/atom quatw quati quatj quatk -#dump quat all custom ${ofreq} quat.${number}.txt id c_quat[1] c_quat[2] c_quat[3] c_quat[4] -#dump_modify quat sort id -#dump_modify quat format line "%d %13.6le %13.6le %13.6le %13.6le" +compute quat all property/atom quatw quati quatj quatk compute erot all erotate/asphere compute ekin all ke @@ -72,10 +62,10 @@ 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}.txt id x y z vx vy vz fx fy fz tqx tqy tqz -#dump_modify out sort id -#dump_modify out format line "%d %13.6le %13.6le %13.6le %13.6le %13.6le %13.6le %13.6le %13.6le %13.6le %13.6le %13.6le %13.6le" +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 1000000 -#write_restart config.${number}.* +write_data last_config.${number}.* nocoeff 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 new file mode 100644 index 0000000000..965502247e --- /dev/null +++ b/examples/PACKAGES/cgdna/examples/oxDNA2/duplex3/log.27May21.duplex3.g++.1 @@ -0,0 +1,1180 @@ +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 new file mode 100644 index 0000000000..6d5e7669bb --- /dev/null +++ b/examples/PACKAGES/cgdna/examples/oxDNA2/duplex3/log.27May21.duplex3.g++.4 @@ -0,0 +1,1180 @@ +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.30Jun20.duplex3.g++.1 b/examples/PACKAGES/cgdna/examples/oxDNA2/duplex3/log.30Jun20.duplex3.g++.1 deleted file mode 100644 index 77a368a50b..0000000000 --- a/examples/PACKAGES/cgdna/examples/oxDNA2/duplex3/log.30Jun20.duplex3.g++.1 +++ /dev/null @@ -1,1182 +0,0 @@ -LAMMPS (30 Jun 2020) -variable number equal 3 -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 -WARNING: Atom_style hybrid defines both pertype and peratom masses - both must be set, only peratom masses will be used (../atom_vec_hybrid.cpp:156) -atom_modify sort 0 1.0 - -# Pair interactions require lists of neighbours to be calculated -neighbor 1.0 bin -neigh_modify every 1 delay 0 check yes - -read_data data.duplex3 - orthogonal box = (-20 -20 -20) to (20 20 20) - 1 by 1 by 1 MPI processor grid - reading atoms ... - 10 atoms - reading velocities ... - 10 velocities - 10 ellipsoids - scanning bonds ... - 2 = max bonds/atom - reading bonds ... - 8 bonds - 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 1.0 - 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 - 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} 1.0 0.815 -pair_coeff * * oxdna2/dh 0.1 1.0 0.815 - -# NVE ensemble -fix 1 all nve/dot -#fix 1 all nve/dotc/langevin ${T} ${T} 0.03 457145 angmom 10 -#fix 1 all nve/asphere -#fix 2 all langevin ${T} ${T} 0.03 457145 angmom 10 - -timestep 1e-5 - -#comm_style tiled -#fix 3 all balance 10000 1.1 rcb -comm_modify cutoff 2.5 - -#compute mol all chunk/atom molecule -#compute mychunk all vcm/chunk mol -#fix 4 all ave/time 10000 1 10000 c_mychunk[1] c_mychunk[2] c_mychunk[3] file vcm.txt mode vector - -#dump pos all xyz ${ofreq} traj.${number}.xyz - -#compute quat all property/atom quatw quati quatj quatk -#dump quat all custom ${ofreq} quat.${number}.txt id c_quat[1] c_quat[2] c_quat[3] c_quat[4] -#dump_modify quat sort id -#dump_modify quat format line "%d %13.6le %13.6le %13.6le %13.6le" - -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}.txt id x y z vx vy vz fx fy fz tqx tqy tqz -#dump_modify out sort id -#dump_modify out format line "%d %13.6le %13.6le %13.6le %13.6le %13.6le %13.6le %13.6le %13.6le %13.6le %13.6le %13.6le %13.6le" - -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 = 2.6274048 - ghost atom cutoff = 2.6274048 - binsize = 1.3137024, bins = 31 31 31 - 6 neighbor lists, perpetual/occasional/extra = 6 0 0 - (1) pair oxdna2/excv, perpetual - attributes: half, newton off - pair build: half/bin/newtoff - stencil: half/bin/3d/newtoff - bin: standard - (2) pair oxdna2/stk, perpetual, copy from (1) - attributes: half, newton off - pair build: copy - stencil: none - bin: none - (3) pair oxdna2/hbond, perpetual, copy from (1) - attributes: half, newton off - pair build: copy - stencil: none - bin: none - (4) pair oxdna2/xstk, perpetual, copy from (1) - attributes: half, newton off - pair build: copy - stencil: none - bin: none - (5) pair oxdna2/coaxstk, perpetual, copy from (1) - attributes: half, newton off - pair build: copy - stencil: none - bin: none - (6) pair oxdna2/dh, perpetual, copy from (1) - attributes: half, newton off - pair build: copy - stencil: none - bin: none -WARNING: Communication cutoff adjusted to 2.627404783947349 (../comm.cpp:690) -0 ekin = 0 | erot = 0 | epot = -14.6249037416652 | etot = -14.6249037416652 -Per MPI rank memory allocation (min/avg/max) = 8.021 | 8.021 | 8.021 Mbytes -Step Temp E_pair E_mol TotEng Press - 0 0 -1.4720158 0.009525411 -1.4624904 3.1370518e-06 -1000 ekin = 0.00366431201929618 | erot = 0.00193726360267488 | epot = -14.630505317301 | etot = -14.624903741679 -2000 ekin = 0.0144775076075466 | erot = 0.00770914672938582 | epot = -14.6470903960565 | etot = -14.6249037417196 -3000 ekin = 0.0319122186081549 | erot = 0.0171972328649101 | epot = -14.6740131932573 | etot = -14.6249037417842 -4000 ekin = 0.0551283043509704 | erot = 0.0302085305548002 | epot = -14.7102405767754 | etot = -14.6249037418696 -5000 ekin = 0.0830285165715823 | erot = 0.0464820547541705 | epot = -14.7544143132963 | etot = -14.6249037419705 -6000 ekin = 0.114331121546757 | erot = 0.0656980211282096 | epot = -14.8049328847556 | etot = -14.6249037420806 -7000 ekin = 0.147653866561892 | erot = 0.0874894888755386 | epot = -14.860047097631 | etot = -14.6249037421936 -8000 ekin = 0.181602099560207 | erot = 0.111456095727703 | epot = -14.9179619375911 | etot = -14.6249037423032 -9000 ekin = 0.214852894725919 | erot = 0.137179311245174 | epot = -14.9769359483746 | etot = -14.6249037424035 -10000 ekin = 0.246227151956033 | erot = 0.164238435218395 | epot = -15.0353693296648 | etot = -14.6249037424904 -11000 ekin = 0.274743080419051 | erot = 0.192226420003239 | epot = -15.0918732429829 | etot = -14.6249037425607 -12000 ekin = 0.2996471417657 | erot = 0.220764512146651 | epot = -15.1453153965252 | etot = -14.6249037426128 -13000 ekin = 0.320421918860966 | erot = 0.249514690530541 | epot = -15.1948403520385 | etot = -14.624903742647 -14000 ekin = 0.33677373488436 | erot = 0.27818893373049 | epot = -15.2398664112793 | etot = -14.6249037426645 -15000 ekin = 0.348605413762901 | erot = 0.306554508009418 | epot = -15.2800636644399 | etot = -14.6249037426675 -16000 ekin = 0.355980829097854 | erot = 0.334434770083744 | epot = -15.3153193418402 | etot = -14.6249037426586 -17000 ekin = 0.35908770105941 | erot = 0.361705441666512 | epot = -15.3456968853664 | etot = -14.6249037426405 -18000 ekin = 0.358203710992239 | erot = 0.388286889516313 | epot = -15.3713943431242 | etot = -14.6249037426156 -19000 ekin = 0.353668912555234 | erot = 0.414133518537107 | epot = -15.3927061736788 | etot = -14.6249037425864 -20000 ekin = 0.345865220775291 | erot = 0.439221805285432 | epot = -15.4099907686153 | etot = -14.6249037425546 -21000 ekin = 0.335201981146472 | erot = 0.463538642606515 | epot = -15.4236443662748 | etot = -14.6249037425218 -22000 ekin = 0.322105588834903 | erot = 0.487071492273063 | epot = -15.4340808235971 | etot = -14.6249037424892 -23000 ekin = 0.307010918596165 | erot = 0.509801406229371 | epot = -15.4417160672832 | etot = -14.6249037424577 -24000 ekin = 0.290352786033169 | erot = 0.531699400501692 | epot = -15.446955928963 | etot = -14.6249037424281 -25000 ekin = 0.272556500902037 | erot = 0.552726088759198 | epot = -15.4501863320622 | etot = -14.624903742401 -26000 ekin = 0.254027484079049 | erot = 0.572834017299018 | epot = -15.4517652437547 | etot = -14.6249037423766 -27000 ekin = 0.23514066521633 | erot = 0.591971851501221 | epot = -15.4520162590729 | etot = -14.6249037423553 -28000 ekin = 0.216230835846198 | erot = 0.610089455964333 | epot = -15.4512240341478 | etot = -14.6249037423373 -29000 ekin = 0.197585285158555 | erot = 0.627142960082633 | epot = -15.4496319875635 | etot = -14.6249037423223 -30000 ekin = 0.179439940173318 | erot = 0.643099062793407 | epot = -15.4474427452769 | etot = -14.6249037423102 -31000 ekin = 0.161979935826124 | erot = 0.657938056392308 | epot = -15.4448217345186 | etot = -14.6249037423001 -32000 ekin = 0.145345108983022 | erot = 0.671655297433962 | epot = -15.4419041487086 | etot = -14.6249037422916 -33000 ekin = 0.12964040034519 | erot = 0.684261083518556 | epot = -15.4388052261475 | etot = -14.6249037422838 -34000 ekin = 0.114950474500008 | erot = 0.695779112936504 | epot = -15.4356333297121 | etot = -14.6249037422756 -35000 ekin = 0.10135710346033 | erot = 0.706243888527894 | epot = -15.4325047342544 | etot = -14.6249037422662 -36000 ekin = 0.088957633457107 | erot = 0.715697403164625 | epot = -15.4295587788764 | etot = -14.6249037422546 -37000 ekin = 0.0778817390290652 | erot = 0.72418563863568 | epot = -15.4269711199052 | etot = -14.6249037422404 -38000 ekin = 0.068303709154812 | erot = 0.731755309647473 | epot = -15.4249627610255 | etot = -14.6249037422232 -39000 ekin = 0.0604476327394706 | erot = 0.738451228922909 | epot = -15.4238026038659 | etot = -14.6249037422035 -40000 ekin = 0.0545835914676979 | erot = 0.7443145576821 | epot = -15.4238018913318 | etot = -14.624903742182 -41000 ekin = 0.0510142787133839 | erot = 0.749382063190735 | epot = -15.4253000840641 | etot = -14.6249037421599 -42000 ekin = 0.0500531571157636 | erot = 0.753686350478931 | epot = -15.428643249734 | etot = -14.6249037421393 -43000 ekin = 0.0519969858278391 | erot = 0.757256889238991 | epot = -15.4341576171885 | etot = -14.6249037421217 -44000 ekin = 0.0570968352184469 | erot = 0.760121540481399 | epot = -15.4421221178085 | etot = -14.6249037421087 -45000 ekin = 0.065532155346979 | erot = 0.762308219230476 | epot = -15.4527441166789 | etot = -14.6249037421014 -46000 ekin = 0.077391880036746 | erot = 0.763846321567568 | epot = -15.4661419437049 | etot = -14.6249037421006 -47000 ekin = 0.0926650518887463 | erot = 0.764767599959976 | epot = -15.4823363939546 | etot = -14.6249037421059 -48000 ekin = 0.111241466891021 | erot = 0.76510628368957 | epot = -15.5012514926977 | etot = -14.6249037421171 -49000 ekin = 0.132920935183101 | erot = 0.764898395951945 | epot = -15.5227230732685 | etot = -14.6249037421334 -50000 ekin = 0.157428432862297 | erot = 0.764180392178817 | epot = -15.5465125671951 | etot = -14.624903742154 -51000 ekin = 0.184431879186394 | erot = 0.762987403181186 | epot = -15.5723230245453 | etot = -14.6249037421777 -52000 ekin = 0.213559336999611 | erot = 0.761351471408957 | epot = -15.5998145506125 | etot = -14.6249037422039 -53000 ekin = 0.244412677541745 | erot = 0.759300175100897 | epot = -15.6286165948748 | etot = -14.6249037422322 -54000 ekin = 0.276574826726797 | erot = 0.756855909736049 | epot = -15.6583344787255 | etot = -14.6249037422626 -55000 ekin = 0.30960770869724 | erot = 0.754035838659133 | epot = -15.6885472896526 | etot = -14.6249037422962 -56000 ekin = 0.343038597242155 | erot = 0.750852192167397 | epot = -15.7187945317444 | etot = -14.6249037423348 -57000 ekin = 0.376334705011604 | erot = 0.747312289063754 | epot = -15.7485507364561 | etot = -14.6249037423808 -58000 ekin = 0.408870193943412 | erot = 0.743417624903535 | epot = -15.7771915612832 | etot = -14.6249037424363 -59000 ekin = 0.439895666476021 | erot = 0.739161690570186 | epot = -15.803961099549 | etot = -14.6249037425028 -60000 ekin = 0.468524372325726 | erot = 0.734526514748657 | epot = -15.8279546296536 | etot = -14.6249037425792 -61000 ekin = 0.493750804630799 | erot = 0.729479048550173 | epot = -15.8481335958428 | etot = -14.6249037426618 -62000 ekin = 0.514511417905549 | erot = 0.723968952963015 | epot = -15.8633841136119 | etot = -14.6249037427433 -63000 ekin = 0.529785687820656 | erot = 0.717929490923262 | epot = -15.8726189215586 | etot = -14.6249037428146 -64000 ekin = 0.538722043349821 | erot = 0.711282639870032 | epot = -15.874908426086 | etot = -14.6249037428661 -65000 ekin = 0.540763046401741 | erot = 0.703948378732647 | epot = -15.8696151680245 | etot = -14.6249037428901 -66000 ekin = 0.535742115226795 | erot = 0.69585678068686 | epot = -15.856502638796 | etot = -14.6249037428824 -67000 ekin = 0.523930969354056 | erot = 0.686960578434575 | epot = -15.8357952906315 | etot = -14.6249037428429 -68000 ekin = 0.506029704478054 | erot = 0.677245632040232 | epot = -15.8081790792936 | etot = -14.6249037427753 -69000 ekin = 0.483104826199992 | erot = 0.666737270644537 | epot = -15.774745839531 | etot = -14.6249037426865 -70000 ekin = 0.456490218293252 | erot = 0.655501536743317 | epot = -15.7368954976212 | etot = -14.6249037425847 -71000 ekin = 0.427669918862549 | erot = 0.643641521526345 | epot = -15.6962151828672 | etot = -14.6249037424783 -72000 ekin = 0.398160338931557 | erot = 0.631289876691081 | epot = -15.654353957998 | etot = -14.6249037423754 -73000 ekin = 0.369405258276815 | erot = 0.618599034382849 | epot = -15.6129080349415 | etot = -14.6249037422819 -74000 ekin = 0.342691749042209 | erot = 0.605730669564501 | epot = -15.5733261608092 | etot = -14.6249037422025 -75000 ekin = 0.31909052680686 | erot = 0.59284563490598 | epot = -15.5368399038529 | etot = -14.62490374214 -76000 ekin = 0.299420611427412 | erot = 0.580095163563671 | epot = -15.5044195170868 | etot = -14.6249037420957 -77000 ekin = 0.284235504574989 | erot = 0.567613716752661 | epot = -15.4767529633973 | etot = -14.6249037420697 -78000 ekin = 0.273826140866561 | erot = 0.555513536864305 | epot = -15.454243419792 | etot = -14.6249037420611 -79000 ekin = 0.268234635497613 | erot = 0.54388078034572 | epot = -15.4370191579124 | etot = -14.624903742069 -80000 ekin = 0.267272602906451 | erot = 0.532773036269929 | epot = -15.4249493812687 | etot = -14.6249037420923 -81000 ekin = 0.270538934182559 | erot = 0.522218059775773 | epot = -15.4176607360884 | etot = -14.6249037421301 -82000 ekin = 0.277434574359295 | erot = 0.512213638248342 | epot = -15.4145519547894 | etot = -14.6249037421818 -83000 ekin = 0.287175732620333 | erot = 0.50272864056942 | epot = -15.414808115436 | etot = -14.6249037422462 -84000 ekin = 0.298811175848678 | erot = 0.493705451301681 | epot = -15.4174203694717 | etot = -14.6249037423214 -85000 ekin = 0.311252369949697 | erot = 0.485064122067565 | epot = -15.4212202344211 | etot = -14.6249037424038 -86000 ekin = 0.323325626375984 | erot = 0.476708618161036 | epot = -15.424937987025 | etot = -14.624903742488 -87000 ekin = 0.333851795518747 | erot = 0.468535420697862 | epot = -15.4272909587828 | etot = -14.6249037425662 -88000 ekin = 0.341751109758396 | erot = 0.460444399763919 | epot = -15.427099252152 | etot = -14.6249037426296 -89000 ekin = 0.346159825920001 | erot = 0.452351304178873 | epot = -15.4234148727693 | etot = -14.6249037426704 -90000 ekin = 0.346534667470265 | erot = 0.444200535918399 | epot = -15.4156389460718 | etot = -14.6249037426831 -91000 ekin = 0.342715665475867 | erot = 0.435976333753397 | epot = -15.4035957418967 | etot = -14.6249037426674 -92000 ekin = 0.3349227158513 | erot = 0.427710377227648 | epot = -15.3875368357071 | etot = -14.6249037426282 -93000 ekin = 0.323677844433752 | erot = 0.419484336039963 | epot = -15.3680659230484 | etot = -14.6249037425747 -94000 ekin = 0.30966978292125 | erot = 0.411426964072553 | epot = -15.3460004895119 | etot = -14.6249037425181 -95000 ekin = 0.293600014861622 | erot = 0.403706586473099 | epot = -15.3222103438021 | etot = -14.6249037424674 -96000 ekin = 0.276058284884091 | erot = 0.396520701306161 | epot = -15.2974827286175 | etot = -14.6249037424272 -97000 ekin = 0.25746445629565 | erot = 0.390084510982946 | epot = -15.2724527096753 | etot = -14.6249037423967 -98000 ekin = 0.238086767082953 | erot = 0.384619533405539 | epot = -15.2476100428595 | etot = -14.624903742371 -99000 ekin = 0.218116994125883 | erot = 0.380342481668092 | epot = -15.2233632181382 | etot = -14.6249037423442 -100000 ekin = 0.197764845956536 | erot = 0.377453964065333 | epot = -15.2001225523339 | etot = -14.624903742312 -101000 ekin = 0.177333852671335 | erot = 0.376126621697227 | epot = -15.1783642166414 | etot = -14.6249037422728 -102000 ekin = 0.157255732179445 | erot = 0.376493003927733 | epot = -15.1586524783356 | etot = -14.6249037422284 -103000 ekin = 0.138079925448889 | erot = 0.378634329970018 | epot = -15.1416179976015 | etot = -14.6249037421826 -104000 ekin = 0.120430234291316 | erot = 0.382571791335251 | epot = -15.1279057677665 | etot = -14.6249037421399 -105000 ekin = 0.10494672239352 | erot = 0.388261944551333 | epot = -15.118112409049 | etot = -14.6249037421041 -106000 ekin = 0.0922291289493497 | erot = 0.395597086392468 | epot = -15.11272995742 | etot = -14.6249037420782 -107000 ekin = 0.0827918191991084 | erot = 0.404410579138465 | epot = -15.112106140401 | etot = -14.6249037420634 -108000 ekin = 0.0770336430609741 | erot = 0.414486225075992 | epot = -15.116423610197 | etot = -14.62490374206 -109000 ekin = 0.075221312117861 | erot = 0.425570202879186 | epot = -15.1256952570646 | etot = -14.6249037420675 -110000 ekin = 0.0774826364247882 | erot = 0.437383858086522 | epot = -15.1397702365965 | etot = -14.6249037420852 -111000 ekin = 0.0838057148048547 | erot = 0.449635759436015 | epot = -15.1583452163526 | etot = -14.6249037421117 -112000 ekin = 0.0940411317710077 | erot = 0.462031808376879 | epot = -15.1809766822946 | etot = -14.6249037421467 -113000 ekin = 0.107905661684195 | erot = 0.474282718869093 | epot = -15.2070921227426 | etot = -14.6249037421893 -114000 ekin = 0.124987416380568 | erot = 0.486108767327343 | epot = -15.2359999259468 | etot = -14.6249037422389 -115000 ekin = 0.14475347442169 | erot = 0.497242253023055 | epot = -15.2668994697394 | etot = -14.6249037422947 -116000 ekin = 0.166561593123301 | erot = 0.507428522971045 | epot = -15.2988938584499 | etot = -14.6249037423555 -117000 ekin = 0.189677527330859 | erot = 0.516426638198687 | epot = -15.3310079079495 | etot = -14.6249037424199 -118000 ekin = 0.213298790897302 | erot = 0.524010758771369 | epot = -15.3622132921543 | etot = -14.6249037424857 -119000 ekin = 0.23658457696156 | erot = 0.529973112381439 | epot = -15.3914614318934 | etot = -14.6249037425504 -120000 ekin = 0.25869030185824 | erot = 0.534129034925715 | epot = -15.4177230793952 | etot = -14.6249037426113 -121000 ekin = 0.278804196532859 | erot = 0.536324108799716 | epot = -15.4400320479982 | etot = -14.6249037426656 -122000 ekin = 0.296182819519396 | erot = 0.536442962870823 | epot = -15.4575295251008 | etot = -14.6249037427106 -123000 ekin = 0.310182446405815 | erot = 0.534418915104236 | epot = -15.4695051042542 | etot = -14.6249037427442 -124000 ekin = 0.320283972930007 | erot = 0.530243389137678 | epot = -15.4754311048322 | etot = -14.6249037427645 -125000 ekin = 0.326110081462184 | erot = 0.523973945236141 | epot = -15.474987769469 | etot = -14.6249037427707 -126000 ekin = 0.327434709614433 | erot = 0.515739832556637 | epot = -15.4680782849335 | etot = -14.6249037427625 -127000 ekin = 0.324186046690112 | erot = 0.505744172152634 | epot = -15.4548339615826 | etot = -14.6249037427399 -128000 ekin = 0.316445106703942 | erot = 0.49426218578474 | epot = -15.4356110351922 | etot = -14.6249037427035 -129000 ekin = 0.304442167762443 | erot = 0.481635256753056 | epot = -15.4109811671698 | etot = -14.6249037426543 -130000 ekin = 0.288552887156219 | erot = 0.468261006625427 | epot = -15.381717636375 | etot = -14.6249037425933 -131000 ekin = 0.269294696165104 | erot = 0.454579955598623 | epot = -15.3487783942857 | etot = -14.624903742522 -132000 ekin = 0.247322351785515 | erot = 0.44105966132284 | epot = -15.3132857555502 | etot = -14.6249037424419 -133000 ekin = 0.223419723871429 | erot = 0.428177456066543 | epot = -15.276500922293 | etot = -14.6249037423551 -134000 ekin = 0.198483666316777 | erot = 0.416402982921072 | epot = -15.2397903915022 | etot = -14.6249037422644 -135000 ekin = 0.173495806295108 | erot = 0.40618164100245 | epot = -15.2045811894712 | etot = -14.6249037421736 -136000 ekin = 0.149479658252647 | erot = 0.397919790440824 | epot = -15.1723031907806 | etot = -14.6249037420871 -137000 ekin = 0.127443476996608 | erot = 0.391972186713592 | epot = -15.1443194057199 | etot = -14.6249037420097 -138000 ekin = 0.10831297052536 | erot = 0.388631700836367 | epot = -15.1218484133082 | etot = -14.6249037419464 -139000 ekin = 0.0928612988418002 | erot = 0.388121053034821 | epot = -15.1058860937783 | etot = -14.6249037419017 -140000 ekin = 0.0816456573910084 | erot = 0.390586148388801 | epot = -15.0971355476587 | etot = -14.6249037418789 -141000 ekin = 0.0749596349872437 | erot = 0.396090706683564 | epot = -15.0959540835505 | etot = -14.6249037418797 -142000 ekin = 0.0728085537690405 | erot = 0.404612196534891 | epot = -15.1023244922084 | etot = -14.6249037419044 -143000 ekin = 0.0749117535383842 | erot = 0.416039504837645 | epot = -15.1158550003269 | etot = -14.6249037419509 -144000 ekin = 0.0807320498020964 | erot = 0.43017313668478 | epot = -15.1358089285024 | etot = -14.6249037420156 -145000 ekin = 0.08952902558338 | erot = 0.446728893938156 | epot = -15.1611616616151 | etot = -14.6249037420935 -146000 ekin = 0.100429851263191 | erot = 0.465345829669622 | epot = -15.1906794231115 | etot = -14.6249037421787 -147000 ekin = 0.112509264558581 | erot = 0.485598823528122 | epot = -15.2230118303515 | etot = -14.6249037422648 -148000 ekin = 0.124869425792591 | erot = 0.507015469189552 | epot = -15.2567886373282 | etot = -14.6249037423461 -149000 ekin = 0.136710750658436 | erot = 0.529096273051187 | epot = -15.290710766127 | etot = -14.6249037424174 -150000 ekin = 0.147386480806171 | erot = 0.551336607352345 | epot = -15.323626830634 | etot = -14.6249037424755 -151000 ekin = 0.156436378416032 | erot = 0.573248570645276 | epot = -15.3545886915794 | etot = -14.6249037425181 -152000 ekin = 0.163597998371653 | erot = 0.594380933602923 | epot = -15.3828826745196 | etot = -14.624903742545 -153000 ekin = 0.168796920199611 | erot = 0.614335653334474 | epot = -15.4080363160912 | etot = -14.6249037425571 -154000 ekin = 0.172119667637745 | erot = 0.63277992909172 | epot = -15.4298033392862 | etot = -14.6249037425567 -155000 ekin = 0.173774602206285 | erot = 0.649453329865168 | epot = -15.448131674618 | etot = -14.6249037425466 -156000 ekin = 0.174046854480021 | erot = 0.664170048550552 | epot = -15.4631206455605 | etot = -14.62490374253 -157000 ekin = 0.173253451016122 | erot = 0.676816762702534 | epot = -15.4749739562284 | etot = -14.6249037425097 -158000 ekin = 0.171704281293749 | erot = 0.687346881268012 | epot = -15.48395490505 | etot = -14.6249037424883 -159000 ekin = 0.169673443699862 | erot = 0.695772131173121 | epot = -15.4903493173403 | etot = -14.6249037424673 -160000 ekin = 0.167383826014546 | erot = 0.702152502586509 | epot = -15.4944400710487 | etot = -14.6249037424476 -161000 ekin = 0.165005624031702 | erot = 0.706585545944493 | epot = -15.4964949124054 | etot = -14.6249037424292 -162000 ekin = 0.162667154471752 | erot = 0.709195914790859 | epot = -15.4967668116741 | etot = -14.6249037424115 -163000 ekin = 0.160474189581485 | erot = 0.710125892129829 | epot = -15.4955038241048 | etot = -14.6249037423935 -164000 ekin = 0.158532578972596 | erot = 0.709527441008927 | epot = -15.4929637623557 | etot = -14.6249037423742 -165000 ekin = 0.156968465370669 | erot = 0.707556101121189 | epot = -15.4894283088449 | etot = -14.624903742353 -166000 ekin = 0.155941053191124 | erot = 0.704366832058078 | epot = -15.4852116275794 | etot = -14.6249037423302 -167000 ekin = 0.155644496809548 | erot = 0.700111698658369 | epot = -15.4806599377741 | etot = -14.6249037423062 -168000 ekin = 0.156297672988182 | erot = 0.694939119112873 | epot = -15.4761405343834 | etot = -14.6249037422823 -169000 ekin = 0.158122923325456 | erot = 0.688994262094025 | epot = -15.4720209276801 | etot = -14.6249037422606 -170000 ekin = 0.161316852937676 | erot = 0.682420091513849 | epot = -15.4686406866943 | etot = -14.6249037422428 -171000 ekin = 0.166017619146822 | erot = 0.675358520304806 | epot = -15.4662798816825 | etot = -14.6249037422309 -172000 ekin = 0.172273671159511 | erot = 0.667951149520835 | epot = -15.4651285629069 | etot = -14.6249037422266 -173000 ekin = 0.180018623556049 | erot = 0.660339136127854 | epot = -15.4652615019149 | etot = -14.624903742231 -174000 ekin = 0.189056055744924 | erot = 0.65266185183192 | epot = -15.4666216498214 | etot = -14.6249037422445 -175000 ekin = 0.199056860650113 | erot = 0.645054167286172 | epot = -15.4690147702031 | etot = -14.6249037422668 -176000 ekin = 0.209570701317552 | erot = 0.637642422787005 | epot = -15.4721168664013 | etot = -14.6249037422967 -177000 ekin = 0.220052442974625 | erot = 0.630539423737628 | epot = -15.4754956090443 | etot = -14.6249037423321 -178000 ekin = 0.229904071991194 | erot = 0.623839102439311 | epot = -15.4786469168001 | etot = -14.6249037423696 -179000 ekin = 0.238532114427982 | erot = 0.617611757777875 | epot = -15.4810476146108 | etot = -14.624903742405 -180000 ekin = 0.245419064060292 | erot = 0.611900922402653 | epot = -15.4822237288957 | etot = -14.6249037424328 -181000 ekin = 0.250203926055771 | erot = 0.606722796615248 | epot = -15.4818304651186 | etot = -14.6249037424476 -182000 ekin = 0.252761402919565 | erot = 0.602068750131856 | epot = -15.4797338954959 | etot = -14.6249037424445 -183000 ekin = 0.253262634974054 | erot = 0.597910660168588 | epot = -15.4760770375641 | etot = -14.6249037424214 -184000 ekin = 0.252195762131878 | erot = 0.594208023726969 | epot = -15.4713075282387 | etot = -14.6249037423799 -185000 ekin = 0.250326113306321 | erot = 0.59091517967259 | epot = -15.4661450353052 | etot = -14.6249037423263 -186000 ekin = 0.248586758541649 | erot = 0.587986907734566 | epot = -15.4614774085478 | etot = -14.6249037422716 -187000 ekin = 0.247909630265846 | erot = 0.585381224303701 | epot = -15.4581945967982 | etot = -14.6249037422286 -188000 ekin = 0.2490290523945 | erot = 0.583059148733781 | epot = -15.4569919433378 | etot = -14.6249037422095 -189000 ekin = 0.252303803181127 | erot = 0.580982165409763 | epot = -15.4581897108128 | etot = -14.6249037422219 -190000 ekin = 0.25760376351551 | erot = 0.579108718145144 | epot = -15.4616162239281 | etot = -14.6249037422675 -191000 ekin = 0.264292655598098 | erot = 0.577391223758838 | epot = -15.4665876216975 | etot = -14.6249037423406 -192000 ekin = 0.271315385056409 | erot = 0.575774831089113 | epot = -15.4719939585751 | etot = -14.6249037424296 -193000 ekin = 0.277374539132748 | erot = 0.574198584868256 | epot = -15.4764768665202 | etot = -14.6249037425192 -194000 ekin = 0.281161076019677 | erot = 0.572598913484698 | epot = -15.478663732098 | etot = -14.6249037425936 -195000 ekin = 0.281592637347121 | erot = 0.570914645865623 | epot = -15.4774110258523 | etot = -14.6249037426396 -196000 ekin = 0.278011867235596 | erot = 0.569092314484759 | epot = -15.4720079243693 | etot = -14.624903742649 -197000 ekin = 0.270307527592762 | erot = 0.567090473639989 | epot = -15.4623017438531 | etot = -14.6249037426204 -198000 ekin = 0.258940359975855 | erot = 0.564882125458807 | epot = -15.4487262279927 | etot = -14.6249037425581 -199000 ekin = 0.244877476699234 | erot = 0.562454912721902 | epot = -15.4322361318925 | etot = -14.6249037424713 -200000 ekin = 0.229456931018641 | erot = 0.559809284042077 | epot = -15.4141699574324 | etot = -14.6249037423716 -201000 ekin = 0.214214012278847 | erot = 0.556955381706859 | epot = -15.3960731362566 | etot = -14.6249037422709 -202000 ekin = 0.200701376135036 | erot = 0.553909032488863 | epot = -15.3795141508034 | etot = -14.6249037421795 -203000 ekin = 0.190329688710817 | erot = 0.550687503827512 | epot = -15.3659209346435 | etot = -14.6249037421052 -204000 ekin = 0.184246973275337 | erot = 0.547306655840007 | epot = -15.356457371168 | etot = -14.6249037420527 -205000 ekin = 0.183262973705813 | erot = 0.543779043729278 | epot = -15.3519457594592 | etot = -14.6249037420241 -206000 ekin = 0.187816949073515 | erot = 0.540113432736619 | epot = -15.3528341238291 | etot = -14.624903742019 -207000 ekin = 0.197980929490512 | erot = 0.536315658388676 | epot = -15.3592003299145 | etot = -14.6249037420353 -208000 ekin = 0.213487612677366 | erot = 0.53239049820727 | epot = -15.3707818529549 | etot = -14.6249037420703 -209000 ekin = 0.233772362712521 | erot = 0.528344018725095 | epot = -15.3870201235584 | etot = -14.6249037421208 -210000 ekin = 0.258021408692355 | erot = 0.524185756556833 | epot = -15.4071109074329 | etot = -14.6249037421837 -211000 ekin = 0.285222208429996 | erot = 0.519930104708342 | epot = -15.4300560553942 | etot = -14.6249037422558 -212000 ekin = 0.314215813604987 | erot = 0.515596398128489 | epot = -15.454715954067 | etot = -14.6249037423335 -213000 ekin = 0.343753634043937 | erot = 0.511207450608882 | epot = -15.4798648270658 | etot = -14.624903742413 -214000 ekin = 0.372561594270316 | erot = 0.506786560075337 | epot = -15.5042518968352 | etot = -14.6249037424895 -215000 ekin = 0.399412456462858 | erot = 0.502353347158712 | epot = -15.5266695461799 | etot = -14.6249037425583 -216000 ekin = 0.423202666203616 | erot = 0.497919155944113 | epot = -15.5460255647623 | etot = -14.6249037426146 -217000 ekin = 0.443025226540025 | erot = 0.493483013679004 | epot = -15.5614119828738 | etot = -14.6249037426548 -218000 ekin = 0.458227302378849 | erot = 0.489029294856436 | epot = -15.5721603399122 | etot = -14.6249037426769 -219000 ekin = 0.46844301918404 | erot = 0.484528125251435 | epot = -15.5778748871159 | etot = -14.6249037426804 -220000 ekin = 0.473598483116685 | erot = 0.479939108990801 | epot = -15.5784413347739 | etot = -14.6249037426664 -221000 ekin = 0.473894168318713 | erot = 0.475218183432529 | epot = -15.5740160943878 | etot = -14.6249037426366 -222000 ekin = 0.46977401404952 | erot = 0.470326483973494 | epot = -15.565004240616 | etot = -14.624903742593 -223000 ekin = 0.461887320397438 | erot = 0.465239349169368 | epot = -15.552030412105 | etot = -14.6249037425382 -224000 ekin = 0.45104133642262 | erot = 0.459953336121611 | epot = -15.5358984150202 | etot = -14.624903742476 -225000 ekin = 0.438137198422833 | erot = 0.454489515561399 | epot = -15.5175304563959 | etot = -14.6249037424116 -226000 ekin = 0.424086332826247 | erot = 0.448892294163513 | epot = -15.4978823693413 | etot = -14.6249037423516 -227000 ekin = 0.409717105195145 | erot = 0.443224250669953 | epot = -15.4778450981665 | etot = -14.6249037423014 -228000 ekin = 0.395692916861505 | erot = 0.437558473222737 | epot = -15.4581551323492 | etot = -14.6249037422649 -229000 ekin = 0.382463318564619 | erot = 0.431970318931211 | epot = -15.4393373797385 | etot = -14.6249037422426 -230000 ekin = 0.370258116730603 | erot = 0.426530223272752 | epot = -15.421692082236 | etot = -14.6249037422326 -231000 ekin = 0.359118625017489 | erot = 0.421298440292615 | epot = -15.4053208075415 | etot = -14.6249037422314 -232000 ekin = 0.348949729121418 | erot = 0.416321816462733 | epot = -15.3901752878198 | etot = -14.6249037422357 -233000 ekin = 0.339575284188205 | erot = 0.411632247273789 | epot = -15.3761112737045 | etot = -14.6249037422425 -234000 ekin = 0.330784909163314 | erot = 0.407246384303571 | epot = -15.362935035717 | etot = -14.6249037422501 -235000 ekin = 0.322367248495157 | erot = 0.403166248673602 | epot = -15.350437239426 | etot = -14.6249037422572 -236000 ekin = 0.314129851889501 | erot = 0.399380677843556 | epot = -15.3384142719966 | etot = -14.6249037422635 -237000 ekin = 0.305908300164827 | erot = 0.395867600047935 | epot = -15.3266796424818 | etot = -14.624903742269 -238000 ekin = 0.297568064657773 | erot = 0.39259715720464 | epot = -15.3150689641361 | etot = -14.6249037422737 -239000 ekin = 0.289002756414808 | erot = 0.389535643317172 | epot = -15.3034421420093 | etot = -14.6249037422773 -240000 ekin = 0.280132201614557 | erot = 0.386650129641611 | epot = -15.291686073536 | etot = -14.6249037422798 -241000 ekin = 0.270903172980175 | erot = 0.383913574227223 | epot = -15.2797204894877 | etot = -14.6249037422803 -242000 ekin = 0.261294311101929 | erot = 0.381310019034114 | epot = -15.2675080724141 | etot = -14.624903742278 -243000 ekin = 0.251325265433967 | erot = 0.378839435319614 | epot = -15.255068443025 | etot = -14.6249037422714 -244000 ekin = 0.241068460184099 | erot = 0.376521662813181 | epot = -15.2424938652571 | etot = -14.6249037422598 -245000 ekin = 0.230660579660543 | erot = 0.374398842117411 | epot = -15.2299631640205 | etot = -14.6249037422425 -246000 ekin = 0.220310176855077 | erot = 0.372535772164605 | epot = -15.2177496912391 | etot = -14.6249037422194 -247000 ekin = 0.21029792040831 | erot = 0.371017759432739 | epot = -15.2062194220324 | etot = -14.6249037421913 -248000 ekin = 0.200966973970282 | erot = 0.369945779906298 | epot = -15.1958164960366 | etot = -14.62490374216 -249000 ekin = 0.19270275205643 | erot = 0.369429135338942 | epot = -15.1870356295232 | etot = -14.6249037421279 -250000 ekin = 0.18590352409262 | erot = 0.369576201101644 | epot = -15.1803834672921 | etot = -14.6249037420978 -251000 ekin = 0.180945546219597 | erot = 0.370484246994953 | epot = -15.1763335352872 | etot = -14.6249037420727 -252000 ekin = 0.178147956309677 | erot = 0.372229589272508 | epot = -15.1752812876371 | etot = -14.624903742055 -253000 ekin = 0.177743031465493 | erot = 0.374859230993345 | epot = -15.1775060045052 | etot = -14.6249037420463 -254000 ekin = 0.179856300055144 | erot = 0.378385037101541 | epot = -15.1831450792041 | etot = -14.6249037420475 -255000 ekin = 0.184498455786623 | erot = 0.382781080046676 | epot = -15.1921832778916 | etot = -14.6249037420583 -256000 ekin = 0.191568141873245 | erot = 0.387983970946509 | epot = -15.2044558548979 | etot = -14.6249037420781 -257000 ekin = 0.200862084874684 | erot = 0.39389562099413 | epot = -15.2196614479746 | etot = -14.6249037421058 -258000 ekin = 0.212087875567067 | erot = 0.400387498987617 | epot = -15.2373791166953 | etot = -14.6249037421406 -259000 ekin = 0.22487530619229 | erot = 0.407305396776974 | epot = -15.2570844451511 | etot = -14.6249037421818 -260000 ekin = 0.238784314763371 | erot = 0.414473950040919 | epot = -15.2781620070334 | etot = -14.6249037422291 -261000 ekin = 0.253310397642053 | erot = 0.42170059668304 | epot = -15.2999147366073 | etot = -14.6249037422822 -262000 ekin = 0.267890750412286 | erot = 0.428779149459046 | epot = -15.3215736422117 | etot = -14.6249037423403 -263000 ekin = 0.281915541777785 | erot = 0.435493571930371 | epot = -15.3423128561102 | etot = -14.6249037424021 -264000 ekin = 0.294748319449044 | erot = 0.441622773940652 | epot = -15.3612748358547 | etot = -14.624903742465 -265000 ekin = 0.305757851305137 | erot = 0.446947232466447 | epot = -15.3776088262971 | etot = -14.6249037425255 -266000 ekin = 0.314361275702132 | erot = 0.451257984268096 | epot = -15.3905230025497 | etot = -14.6249037425794 -267000 ekin = 0.320075758813841 | erot = 0.454368036195507 | epot = -15.3993475376314 | etot = -14.624903742622 -268000 ekin = 0.322573111285627 | erot = 0.456125517716869 | epot = -15.403602371651 | etot = -14.6249037426485 -269000 ekin = 0.321728949456794 | erot = 0.456427019949868 | epot = -15.403059712062 | etot = -14.6249037426553 -270000 ekin = 0.31765519820333 | erot = 0.45522869606994 | epot = -15.3977876369143 | etot = -14.624903742641 -271000 ekin = 0.310703151367432 | erot = 0.452552178355822 | epot = -15.3881590723309 | etot = -14.6249037426077 -272000 ekin = 0.301426233536413 | erot = 0.448482664562071 | epot = -15.3748126406594 | etot = -14.6249037425609 -273000 ekin = 0.290499502093209 | erot = 0.443158007811074 | epot = -15.3585612524138 | etot = -14.6249037425095 -274000 ekin = 0.278606962226069 | erot = 0.436750209657617 | epot = -15.3402609143468 | etot = -14.6249037424631 -275000 ekin = 0.26632348034077 | erot = 0.429443553158618 | epot = -15.3206707759287 | etot = -14.6249037424293 -276000 ekin = 0.254026977158081 | erot = 0.421415402004818 | epot = -15.3003461215739 | etot = -14.624903742411 -277000 ekin = 0.241871064453538 | erot = 0.412825312322111 | epot = -15.2796001191811 | etot = -14.6249037424054 -278000 ekin = 0.229828041579721 | erot = 0.403815416629946 | epot = -15.2585472006151 | etot = -14.6249037424054 -279000 ekin = 0.217786141146189 | erot = 0.394521119096963 | epot = -15.2372110026452 | etot = -14.624903742402 -280000 ekin = 0.205666064593732 | erot = 0.38508770303191 | epot = -15.2156575100133 | etot = -14.6249037423876 -281000 ekin = 0.19351860427424 | erot = 0.375686870762611 | epot = -15.194109217395 | etot = -14.6249037423581 -282000 ekin = 0.181576720747694 | erot = 0.366527860021383 | epot = -15.1730083230829 | etot = -14.6249037423139 -283000 ekin = 0.170254050626048 | erot = 0.357859944223912 | epot = -15.1530177371086 | etot = -14.6249037422586 -284000 ekin = 0.16009863107041 | erot = 0.349965713705531 | epot = -15.1349680869742 | etot = -14.6249037421982 -285000 ekin = 0.151720356670754 | erot = 0.343146625519695 | epot = -15.1197707243297 | etot = -14.6249037421393 -286000 ekin = 0.145712559183906 | erot = 0.337703485420487 | epot = -15.1083197866921 | etot = -14.6249037420877 -287000 ekin = 0.142584250545045 | erot = 0.33391483609244 | epot = -15.1014028286853 | etot = -14.6249037420479 -288000 ekin = 0.14271294134083 | erot = 0.33201595204223 | epot = -15.0996326354053 | etot = -14.6249037420222 -289000 ekin = 0.146320998448773 | erot = 0.332180585089635 | epot = -15.1034053255502 | etot = -14.6249037420118 -290000 ekin = 0.153472816921521 | erot = 0.334506983378674 | epot = -15.1128835423164 | etot = -14.6249037420162 -291000 ekin = 0.16408646566307 | erot = 0.339009144348004 | epot = -15.1279993520452 | etot = -14.6249037420341 -292000 ekin = 0.177952173600894 | erot = 0.345613807734655 | epot = -15.1484697233998 | etot = -14.6249037420642 -293000 ekin = 0.194750859969321 | erot = 0.354163344443058 | epot = -15.1738179465174 | etot = -14.624903742105 -294000 ekin = 0.214068309159694 | erot = 0.364424408222029 | epot = -15.2033964595369 | etot = -14.6249037421551 -295000 ekin = 0.23540371040359 | erot = 0.376101928511103 | epot = -15.2364093811279 | etot = -14.6249037422133 -296000 ekin = 0.258174229753498 | erot = 0.388857685536646 | epot = -15.2719356575678 | etot = -14.6249037422776 -297000 ekin = 0.281719360135706 | erot = 0.402332315571764 | epot = -15.3089554180538 | etot = -14.6249037423463 -298000 ekin = 0.305309684523697 | erot = 0.416169191335652 | epot = -15.3463826182759 | etot = -14.6249037424165 -299000 ekin = 0.328164426016654 | erot = 0.430038291827268 | epot = -15.3831064603292 | etot = -14.6249037424853 -300000 ekin = 0.349480947255048 | erot = 0.443657997414315 | epot = -15.4180426872181 | etot = -14.6249037425488 -301000 ekin = 0.368477349759193 | erot = 0.456812763608568 | epot = -15.4501938559701 | etot = -14.6249037426023 -302000 ekin = 0.384446573101124 | erot = 0.469364841860938 | epot = -15.4787151576043 | etot = -14.6249037426422 -303000 ekin = 0.396817065634558 | erot = 0.481258609604811 | epot = -15.5029794179039 | etot = -14.6249037426646 -304000 ekin = 0.405211709647007 | erot = 0.492516637287636 | epot = -15.5226320896017 | etot = -14.624903742667 -305000 ekin = 0.409494186865868 | erot = 0.503227368870062 | epot = -15.5376252983853 | etot = -14.6249037426493 -306000 ekin = 0.409791521882642 | erot = 0.513525227982917 | epot = -15.5482204924792 | etot = -14.6249037426137 -307000 ekin = 0.406484029567507 | erot = 0.523565033268454 | epot = -15.5549528054007 | etot = -14.6249037425647 -308000 ekin = 0.400159443093576 | erot = 0.533493670193517 | epot = -15.5585568557963 | etot = -14.6249037425092 -309000 ekin = 0.391535685673409 | erot = 0.543422788904487 | epot = -15.5598622170328 | etot = -14.6249037424549 -310000 ekin = 0.381364662749467 | erot = 0.553406603763533 | epot = -15.559675008922 | etot = -14.624903742409 -311000 ekin = 0.370335174700701 | erot = 0.563428434509133 | epot = -15.5586673515868 | etot = -14.624903742377 -312000 ekin = 0.358994462073939 | erot = 0.573398378860855 | epot = -15.5572965832959 | etot = -14.6249037423611 -313000 ekin = 0.347704062021925 | erot = 0.583162598674903 | epot = -15.5557704030573 | etot = -14.6249037423605 -314000 ekin = 0.33663740290675 | erot = 0.592522528333923 | epot = -15.5540636736116 | etot = -14.6249037423709 -315000 ekin = 0.325816357219143 | erot = 0.601260411441213 | epot = -15.5519805110473 | etot = -14.6249037423869 -316000 ekin = 0.31517501281672 | erot = 0.60916645196768 | epot = -15.5492452071863 | etot = -14.6249037424019 -317000 ekin = 0.304633856553889 | erot = 0.616062831072119 | epot = -15.5456004300365 | etot = -14.6249037424105 -318000 ekin = 0.294167456686821 | erot = 0.621820866636781 | epot = -15.5408920657325 | etot = -14.6249037424089 -319000 ekin = 0.283852816310689 | erot = 0.626369338624031 | epot = -15.5351258973307 | etot = -14.6249037423959 -320000 ekin = 0.273891844373646 | erot = 0.62969394858388 | epot = -15.5284895353295 | etot = -14.624903742372 -321000 ekin = 0.264607615830763 | erot = 0.631829520445007 | epot = -15.5213408786157 | etot = -14.6249037423399 -322000 ekin = 0.256418665980724 | erot = 0.632847556381818 | epot = -15.5141699646656 | etot = -14.6249037423031 -323000 ekin = 0.249797892887888 | erot = 0.632842055921319 | epot = -15.5075436910747 | etot = -14.6249037422655 -324000 ekin = 0.245223011939643 | erot = 0.631916211662829 | epot = -15.5020429658332 | etot = -14.6249037422308 -325000 ekin = 0.243124676660885 | erot = 0.630171930979599 | epot = -15.4982003498433 | etot = -14.6249037422029 -326000 ekin = 0.243837159968202 | erot = 0.62770331019607 | epot = -15.4964442123487 | etot = -14.6249037421844 -327000 ekin = 0.247555458534598 | erot = 0.624594349329564 | epot = -15.4970535500418 | etot = -14.6249037421777 -328000 ekin = 0.254302069317208 | erot = 0.620920422826662 | epot = -15.5001262343276 | etot = -14.6249037421837 -329000 ekin = 0.263906382978448 | erot = 0.616752378549749 | epot = -15.5055625037309 | etot = -14.6249037422027 -330000 ekin = 0.275999298196581 | erot = 0.612161709808553 | epot = -15.513064750239 | etot = -14.6249037422339 -331000 ekin = 0.290024872454518 | erot = 0.6072251384784 | epot = -15.5221537532081 | etot = -14.6249037422752 -332000 ekin = 0.305269328205317 | erot = 0.602027230533175 | epot = -15.5322003010622 | etot = -14.6249037423237 -333000 ekin = 0.32090561137506 | erot = 0.59666030333851 | epot = -15.5424696570894 | etot = -14.6249037423759 -334000 ekin = 0.336049438962957 | erot = 0.59122171045733 | epot = -15.5521748918481 | etot = -14.6249037424278 -335000 ekin = 0.349821102707528 | erot = 0.585809355783074 | epot = -15.5605342009664 | etot = -14.6249037424758 -336000 ekin = 0.361406827299004 | erot = 0.580516763971273 | epot = -15.5668273337865 | etot = -14.6249037425162 -337000 ekin = 0.370114335989199 | erot = 0.575429096256477 | epot = -15.570447174792 | etot = -14.6249037425463 -338000 ekin = 0.375418963131835 | erot = 0.570621177508979 | epot = -15.5709438832047 | etot = -14.6249037425639 -339000 ekin = 0.376998306684161 | erot = 0.566157982091391 | epot = -15.5680600313428 | etot = -14.6249037425673 -340000 ekin = 0.374754278532076 | erot = 0.562097189039027 | epot = -15.561755210127 | etot = -14.6249037425559 -341000 ekin = 0.368821588409674 | erot = 0.558493134368603 | epot = -15.5522184653082 | etot = -14.6249037425299 -342000 ekin = 0.359561251230654 | erot = 0.555400700218385 | epot = -15.5398656939398 | etot = -14.6249037424907 -343000 ekin = 0.347537853254552 | erot = 0.552877785918206 | epot = -15.5253193816135 | etot = -14.6249037424408 -344000 ekin = 0.333480374963866 | erot = 0.5509852684009 | epot = -15.5093693857484 | etot = -14.6249037423837 -345000 ekin = 0.318228359784356 | erot = 0.549783918348281 | epot = -15.4929160204566 | etot = -14.6249037423239 -346000 ekin = 0.302667555547469 | erot = 0.549328430110417 | epot = -15.4768997279243 | etot = -14.6249037422664 -347000 ekin = 0.28766105744341 | erot = 0.549659363310447 | epot = -15.4622241629696 | etot = -14.6249037422157 -348000 ekin = 0.273982878354205 | erot = 0.550794243902763 | epot = -15.4496808644331 | etot = -14.6249037421761 -349000 ekin = 0.262260631617843 | erot = 0.552719272009514 | epot = -15.439883645778 | etot = -14.6249037421507 -350000 ekin = 0.252932884528192 | erot = 0.555383042233133 | epot = -15.4332196689026 | etot = -14.6249037421413 -351000 ekin = 0.246225113234617 | erot = 0.55869341876511 | epot = -15.4298222741477 | etot = -14.624903742148 -352000 ekin = 0.242146418558379 | erot = 0.562518344425243 | epot = -15.4295685051533 | etot = -14.6249037421697 -353000 ekin = 0.240507191582831 | erot = 0.566690733134613 | epot = -15.4321016669209 | etot = -14.6249037422035 -354000 ekin = 0.240955911174275 | erot = 0.571016874087082 | epot = -15.4368765275071 | etot = -14.6249037422458 -355000 ekin = 0.243030568944454 | erot = 0.575286990707861 | epot = -15.4432213019444 | etot = -14.624903742292 -356000 ekin = 0.246218336341954 | erot = 0.579286102670435 | epot = -15.4504081813504 | etot = -14.6249037423381 -357000 ekin = 0.250015504867581 | erot = 0.58280308408374 | epot = -15.4577223313315 | etot = -14.6249037423802 -358000 ekin = 0.253980003728839 | erot = 0.585636256510467 | epot = -15.4645200026551 | etot = -14.6249037424158 -359000 ekin = 0.257771924238821 | erot = 0.587595069854197 | epot = -15.4702707365363 | etot = -14.6249037424433 -360000 ekin = 0.261178006692924 | erot = 0.588498175296143 | epot = -15.4745799244512 | etot = -14.6249037424621 -361000 ekin = 0.264121303804436 | erot = 0.588169931158563 | epot = -15.4771949774355 | etot = -14.6249037424725 -362000 ekin = 0.26665626894814 | erot = 0.586437607933123 | epot = -15.4779976193568 | etot = -14.6249037424755 -363000 ekin = 0.268947338174106 | erot = 0.583131261384995 | epot = -15.4769823420322 | etot = -14.6249037424731 -364000 ekin = 0.271226723299596 | erot = 0.578087502910441 | epot = -15.4742179686788 | etot = -14.6249037424688 -365000 ekin = 0.273728224388818 | erot = 0.571157191000725 | epot = -15.469789157857 | etot = -14.6249037424674 -366000 ekin = 0.27660157052003 | erot = 0.562216266683608 | epot = -15.4637215796777 | etot = -14.624903742474 -367000 ekin = 0.279824898676208 | erot = 0.551178529879214 | epot = -15.4559071710475 | etot = -14.6249037424921 -368000 ekin = 0.283144751011421 | erot = 0.538009090150606 | epot = -15.446057583683 | etot = -14.624903742521 -369000 ekin = 0.286073979195429 | erot = 0.522737270878628 | epot = -15.43371499263 | etot = -14.6249037425559 -370000 ekin = 0.287962637923178 | erot = 0.50546765170011 | epot = -15.4183340322108 | etot = -14.6249037425875 -371000 ekin = 0.288129562576893 | erot = 0.486387667907303 | epot = -15.3994209730894 | etot = -14.6249037426052 -372000 ekin = 0.286016270828215 | erot = 0.465769998081936 | epot = -15.3766900115109 | etot = -14.6249037426008 -373000 ekin = 0.281314492917267 | erot = 0.443968246943336 | epot = -15.3501864824312 | etot = -14.6249037425706 -374000 ekin = 0.274029637541304 | erot = 0.421405384813941 | epot = -15.3203387648723 | etot = -14.6249037425171 -375000 ekin = 0.264468317323927 | erot = 0.398555847613352 | epot = -15.2879279073837 | etot = -14.6249037424464 -376000 ekin = 0.253165169267974 | erot = 0.375923572596667 | epot = -15.2539924842319 | etot = -14.6249037423673 -377000 ekin = 0.240780733674519 | erot = 0.354018931407049 | epot = -15.2197034073693 | etot = -14.6249037422878 -378000 ekin = 0.228003530692849 | erot = 0.333337224177657 | epot = -15.1862444970844 | etot = -14.6249037422138 -379000 ekin = 0.215478669427367 | erot = 0.314340303318035 | epot = -15.1547227148943 | etot = -14.6249037421489 -380000 ekin = 0.203769466320298 | erot = 0.297441561967809 | epot = -15.1261147703827 | etot = -14.6249037420946 -381000 ekin = 0.193344913038602 | erot = 0.282993579610754 | epot = -15.1012422347007 | etot = -14.6249037420513 -382000 ekin = 0.1845790971167 | erot = 0.271277560103436 | epot = -15.0807603992401 | etot = -14.62490374202 -383000 ekin = 0.177749902922622 | erot = 0.26249431847454 | epot = -15.0651479633984 | etot = -14.6249037420012 -384000 ekin = 0.173031383434508 | erot = 0.256757595375745 | epot = -15.0546927208059 | etot = -14.6249037419956 -385000 ekin = 0.170483112154869 | erot = 0.254091341095724 | epot = -15.049478195254 | etot = -14.6249037420034 -386000 ekin = 0.170046361592442 | erot = 0.254432809989109 | epot = -15.0493829136049 | etot = -14.6249037420233 -387000 ekin = 0.171558026227206 | erot = 0.257642587604648 | epot = -15.0541043558835 | etot = -14.6249037420517 -388000 ekin = 0.174787865439128 | erot = 0.263521131370077 | epot = -15.0632127388927 | etot = -14.6249037420835 -389000 ekin = 0.179494526901848 | erot = 0.271829477565643 | epot = -15.0762277465811 | etot = -14.6249037421136 -390000 ekin = 0.185484901052496 | erot = 0.282310127810724 | epot = -15.0926987710012 | etot = -14.624903742138 -391000 ekin = 0.192654775276086 | erot = 0.294703495236184 | epot = -15.1122620126683 | etot = -14.624903742156 -392000 ekin = 0.200990711955861 | erot = 0.308756153372879 | epot = -15.1346506074993 | etot = -14.6249037421705 -393000 ekin = 0.210524629688573 | erot = 0.324219483681282 | epot = -15.1596478555577 | etot = -14.6249037421878 -394000 ekin = 0.22125039811835 | erot = 0.340840530849664 | epot = -15.1869946711827 | etot = -14.6249037422146 -395000 ekin = 0.233028912153826 | erot = 0.358349828151301 | epot = -15.2162824825616 | etot = -14.6249037422565 -396000 ekin = 0.2455168348482 | erot = 0.376452447324096 | epot = -15.2468730244869 | etot = -14.6249037423146 -397000 ekin = 0.25814964628924 | erot = 0.394827815017667 | epot = -15.2778812036919 | etot = -14.624903742385 -398000 ekin = 0.270192540270399 | erot = 0.4131410333725 | epot = -15.3082373161018 | etot = -14.6249037424589 -399000 ekin = 0.280849396853854 | erot = 0.431064534842813 | epot = -15.3368176742223 | etot = -14.6249037425256 -400000 ekin = 0.289399657315509 | erot = 0.448305349545533 | epot = -15.3626087494363 | etot = -14.6249037425752 -401000 ekin = 0.295323233787914 | erot = 0.464631356382232 | epot = -15.3848583327717 | etot = -14.6249037426015 -402000 ekin = 0.298377750401429 | erot = 0.479890206670972 | epot = -15.4031716996757 | etot = -14.6249037426033 -403000 ekin = 0.298608046776847 | erot = 0.494016844836358 | epot = -15.4175286341982 | etot = -14.624903742585 -404000 ekin = 0.296288720276099 | erot = 0.507028747324982 | epot = -15.4282212101551 | etot = -14.624903742554 -405000 ekin = 0.29181945089068 | erot = 0.519011022290344 | epot = -15.4357342157007 | etot = -14.6249037425197 -406000 ekin = 0.285604695316787 | erot = 0.530095491696252 | epot = -15.440603929503 | etot = -14.62490374249 -407000 ekin = 0.27795179501284 | erot = 0.540438449781457 | epot = -15.4432939872644 | etot = -14.6249037424701 -408000 ekin = 0.269015012492725 | erot = 0.550201084797105 | epot = -15.4441198397503 | etot = -14.6249037424605 -409000 ekin = 0.258799683406998 | erot = 0.559535019811799 | epot = -15.4432384456764 | etot = -14.6249037424576 -410000 ekin = 0.247223943172304 | erot = 0.568573648692186 | epot = -15.4407013343195 | etot = -14.624903742455 -411000 ekin = 0.234219542826644 | erot = 0.577428429926533 | epot = -15.4365517151989 | etot = -14.6249037424457 -412000 ekin = 0.219842320368382 | erot = 0.5861883861288 | epot = -15.4309344489209 | etot = -14.6249037424237 -413000 ekin = 0.204359948374925 | erot = 0.594920843620856 | epot = -15.4241845343826 | etot = -14.6249037423868 -414000 ekin = 0.188290368309528 | erot = 0.603671832826723 | epot = -15.4168659434726 | etot = -14.6249037423363 -415000 ekin = 0.17237708181679 | erot = 0.612465324291743 | epot = -15.4097461483867 | etot = -14.6249037422781 -416000 ekin = 0.157503657630917 | erot = 0.621301324615619 | epot = -15.4037087244673 | etot = -14.6249037422208 -417000 ekin = 0.144565276806003 | erot = 0.630153567596961 | epot = -15.3996225865765 | etot = -14.6249037421735 -418000 ekin = 0.134326161306162 | erot = 0.638967960411851 | epot = -15.3981978638625 | etot = -14.6249037421445 -419000 ekin = 0.127295713866961 | erot = 0.647663024756136 | epot = -15.3998624807615 | etot = -14.6249037421384 -420000 ekin = 0.123652074078926 | erot = 0.656133267678405 | epot = -15.404689083913 | etot = -14.6249037421557 -421000 ekin = 0.123230332545423 | erot = 0.664256043547052 | epot = -15.4123901182846 | etot = -14.6249037421921 -422000 ekin = 0.125576493084645 | erot = 0.671901405101299 | epot = -15.4223816404261 | etot = -14.6249037422401 -423000 ekin = 0.130051930466291 | erot = 0.678943694027994 | epot = -15.4338993667851 | etot = -14.6249037422908 -424000 ekin = 0.135961143238941 | erot = 0.68527308622734 | epot = -15.4461379718019 | etot = -14.6249037423356 -425000 ekin = 0.142671659965653 | erot = 0.690804983811737 | epot = -15.4583803861463 | etot = -14.6249037423689 -426000 ekin = 0.149699767318955 | erot = 0.69548556134855 | epot = -15.4700890710557 | etot = -14.6249037423882 -427000 ekin = 0.156747049208564 | erot = 0.699292628464386 | epot = -15.4809434200676 | etot = -14.6249037423947 -428000 ekin = 0.163686553654653 | erot = 0.702231990285693 | epot = -15.4908222863327 | etot = -14.6249037423924 -429000 ekin = 0.170509683514881 | erot = 0.704330315301697 | epot = -15.4997437412031 | etot = -14.6249037423865 -430000 ekin = 0.177252892951705 | erot = 0.705626025883602 | epot = -15.5077826612176 | etot = -14.6249037423823 -431000 ekin = 0.183925691222895 | erot = 0.706159951516283 | epot = -15.5149893851227 | etot = -14.6249037423835 -432000 ekin = 0.19045785108011 | erot = 0.705966883793978 | epot = -15.5213284772661 | etot = -14.624903742392 -433000 ekin = 0.196676887389506 | erot = 0.705069371776843 | epot = -15.5266500015735 | etot = -14.6249037424072 -434000 ekin = 0.202317433899842 | erot = 0.703474477741428 | epot = -15.5306956540681 | etot = -14.6249037424269 -435000 ekin = 0.207056046506956 | erot = 0.701173837003811 | epot = -15.5331336259585 | etot = -14.6249037424477 -436000 ekin = 0.210560164857125 | erot = 0.698146912242933 | epot = -15.5336108195661 | etot = -14.6249037424661 -437000 ekin = 0.212539330538931 | erot = 0.694366864819831 | epot = -15.5318099378377 | etot = -14.624903742479 -438000 ekin = 0.212789433625871 | erot = 0.689808070113593 | epot = -15.5275012462235 | etot = -14.624903742484 -439000 ekin = 0.211224885327214 | erot = 0.684454087056214 | epot = -15.5205827148631 | etot = -14.6249037424797 -440000 ekin = 0.207897417438809 | erot = 0.678304934040255 | epot = -15.5111060939441 | etot = -14.624903742465 -441000 ekin = 0.203002684917561 | erot = 0.671382822496918 | epot = -15.4992892498548 | etot = -14.6249037424403 -442000 ekin = 0.196876783893415 | erot = 0.66373594678721 | epot = -15.4855164730867 | etot = -14.6249037424061 -443000 ekin = 0.189984458135294 | erot = 0.655440346227568 | epot = -15.4703285467262 | etot = -14.6249037423634 -444000 ekin = 0.182899715135625 | erot = 0.646600090308741 | epot = -15.4544035477581 | etot = -14.6249037423138 -445000 ekin = 0.176278659807151 | erot = 0.637346059016373 | epot = -15.4385284610832 | etot = -14.6249037422597 -446000 ekin = 0.170824489262207 | erot = 0.627833490901199 | epot = -15.4235617223673 | etot = -14.6249037422039 -447000 ekin = 0.16724611578148 | erot = 0.618238375507256 | epot = -15.4103882334382 | etot = -14.6249037421495 -448000 ekin = 0.166214016011086 | erot = 0.608752709243579 | epot = -15.3998704673542 | etot = -14.6249037420995 -449000 ekin = 0.1683180025474 | erot = 0.599578546514547 | epot = -15.3928002911186 | etot = -14.6249037420567 -450000 ekin = 0.174030350885976 | erot = 0.590920601688637 | epot = -15.3898546945984 | etot = -14.6249037420238 -451000 ekin = 0.183674309612486 | erot = 0.582976972209394 | epot = -15.3915550238252 | etot = -14.6249037420033 -452000 ekin = 0.197394458885248 | erot = 0.575927582956616 | epot = -15.39822578384 | etot = -14.6249037419981 -453000 ekin = 0.215124290963754 | erot = 0.569920414705972 | epot = -15.4099484476811 | etot = -14.6249037420114 -454000 ekin = 0.236549344238332 | erot = 0.565056494271021 | epot = -15.4265095805559 | etot = -14.6249037420465 -455000 ekin = 0.261070666492934 | erot = 0.561375729612865 | epot = -15.4473501382115 | etot = -14.6249037421057 -456000 ekin = 0.287780783019101 | erot = 0.558846520705115 | epot = -15.4715310459133 | etot = -14.6249037421891 -457000 ekin = 0.315469350479039 | erot = 0.557362227354604 | epot = -15.4977353201268 | etot = -14.6249037422931 -458000 ekin = 0.342675461161211 | erot = 0.556746783054113 | epot = -15.5243259866255 | etot = -14.6249037424101 -459000 ekin = 0.367796771324328 | erot = 0.556770049266128 | epot = -15.5494705631189 | etot = -14.6249037425284 -460000 ekin = 0.3892528364295 | erot = 0.557171234683844 | epot = -15.5713278137471 | etot = -14.6249037426338 -461000 ekin = 0.405683830372718 | erot = 0.557686417732241 | epot = -15.5882739908163 | etot = -14.6249037427113 -462000 ekin = 0.416150509763905 | erot = 0.558074591842708 | epot = -15.5991288443566 | etot = -14.6249037427499 -463000 ekin = 0.420292029665246 | erot = 0.558136338549459 | epot = -15.6033321109587 | etot = -14.624903742744 -464000 ekin = 0.418399545178514 | erot = 0.557720582601952 | epot = -15.6010238704768 | etot = -14.6249037426963 -465000 ekin = 0.411377435968826 | erot = 0.55671776612672 | epot = -15.5929989447132 | etot = -14.6249037426177 -466000 ekin = 0.400588481170777 | erot = 0.555041504869193 | epot = -15.5805337285653 | etot = -14.6249037425253 -467000 ekin = 0.387608315925912 | erot = 0.552604267015981 | epot = -15.5651163253807 | etot = -14.6249037424389 -468000 ekin = 0.373939506071419 | erot = 0.549294716065778 | epot = -15.5481379645134 | etot = -14.6249037423762 -469000 ekin = 0.360748545285941 | erot = 0.544964338611031 | epot = -15.5306166262458 | etot = -14.6249037423488 -470000 ekin = 0.348685397522481 | erot = 0.539428754142283 | epot = -15.5130178940239 | etot = -14.6249037423591 -471000 ekin = 0.33782542530965 | erot = 0.53248528288589 | epot = -15.495214450596 | etot = -14.6249037424005 -472000 ekin = 0.327743216876187 | erot = 0.523944004295118 | epot = -15.4765909636299 | etot = -14.6249037424586 -473000 ekin = 0.317695625905249 | erot = 0.513665869846711 | epot = -15.4562652382675 | etot = -14.6249037425155 -474000 ekin = 0.306866206292903 | erot = 0.501599410558902 | epot = -15.4333693594053 | etot = -14.6249037425535 -475000 ekin = 0.294611572516014 | erot = 0.487807694339925 | epot = -15.4073230094157 | etot = -14.6249037425598 -476000 ekin = 0.280654133645735 | erot = 0.472479343853221 | epot = -15.3780372200274 | etot = -14.6249037425284 -477000 ekin = 0.265182667318346 | erot = 0.455920989277164 | epot = -15.3460073990571 | etot = -14.6249037424615 -478000 ekin = 0.248846579355896 | erot = 0.438532535944716 | epot = -15.3122828576688 | etot = -14.6249037423682 -479000 ekin = 0.232654569020801 | erot = 0.420770062233786 | epot = -15.2783283735167 | etot = -14.6249037422621 -480000 ekin = 0.217807844646274 | erot = 0.403103245642895 | epot = -15.2458148324472 | etot = -14.624903742158 -481000 ekin = 0.205508255202274 | erot = 0.385974572360121 | epot = -15.2163865696318 | etot = -14.6249037420694 -482000 ekin = 0.196781566941766 | erot = 0.36976631024765 | epot = -15.1914516191951 | etot = -14.6249037420057 -483000 ekin = 0.19234694356787 | erot = 0.354778814406374 | epot = -15.1720294999463 | etot = -14.6249037419721 -484000 ekin = 0.192548846646396 | erot = 0.341220938396507 | epot = -15.1586735270111 | etot = -14.6249037419682 -485000 ekin = 0.197351634264796 | erot = 0.329210924265182 | epot = -15.1514663005207 | etot = -14.6249037419907 -486000 ekin = 0.206384571112674 | erot = 0.318784712513058 | epot = -15.1500730256597 | etot = -14.624903742034 -487000 ekin = 0.219018661981128 | erot = 0.309908337315953 | epot = -15.1538307413883 | etot = -14.6249037420912 -488000 ekin = 0.234457053485615 | erot = 0.302491737711597 | epot = -15.1618525333532 | etot = -14.6249037421559 -489000 ekin = 0.251825722282228 | erot = 0.296402451840807 | epot = -15.1731319163449 | etot = -14.6249037422219 -490000 ekin = 0.270257579252373 | erot = 0.291478772534408 | epot = -15.1866400940707 | etot = -14.6249037422839 -491000 ekin = 0.288968023940477 | erot = 0.287542686829702 | epot = -15.2014144531066 | etot = -14.6249037423364 -492000 ekin = 0.307321746939982 | erot = 0.28441316533236 | epot = -15.2166386546473 | etot = -14.624903742375 -493000 ekin = 0.32488919226749 | erot = 0.281920128741024 | epot = -15.2317130634052 | etot = -14.6249037423967 -494000 ekin = 0.341487883386483 | erot = 0.279918789013753 | epot = -15.2463104147992 | etot = -14.624903742399 -495000 ekin = 0.35720080106069 | erot = 0.278303167954071 | epot = -15.2604077113969 | etot = -14.6249037423821 -496000 ekin = 0.372363075866133 | erot = 0.277016625443694 | epot = -15.274283443659 | etot = -14.6249037423491 -497000 ekin = 0.387510424729673 | erot = 0.276056483801325 | epot = -15.288470650837 | etot = -14.624903742306 -498000 ekin = 0.403287744735438 | erot = 0.275469725413168 | epot = -15.3036612124104 | etot = -14.6249037422618 -499000 ekin = 0.42032292393259 | erot = 0.275337682298044 | epot = -15.320564348458 | etot = -14.6249037422274 -500000 ekin = 0.43907820686993 | erot = 0.275749832423184 | epot = -15.3397317815074 | etot = -14.6249037422143 -501000 ekin = 0.459699055393576 | erot = 0.27677002458897 | epot = -15.3613728222153 | etot = -14.6249037422327 -502000 ekin = 0.481887975238202 | erot = 0.278401857022776 | epot = -15.3851935745495 | etot = -14.6249037422885 -503000 ekin = 0.504836001700849 | erot = 0.28056227342693 | epot = -15.410302017509 | etot = -14.6249037423813 -504000 ekin = 0.527242963721984 | erot = 0.283072520273731 | epot = -15.4352192264977 | etot = -14.624903742502 -505000 ekin = 0.547444055756082 | erot = 0.285672032586838 | epot = -15.458019830977 | etot = -14.6249037426341 -506000 ekin = 0.563636138784674 | erot = 0.288055811209927 | epot = -15.47659569275 | etot = -14.6249037427554 -507000 ekin = 0.574166796919909 | erot = 0.289928574131153 | epot = -15.4889991138946 | etot = -14.6249037428436 -508000 ekin = 0.577825151301095 | erot = 0.29106332686132 | epot = -15.4937922210437 | etot = -14.6249037428812 -509000 ekin = 0.574066827021787 | erot = 0.291350176078735 | epot = -15.4903207459605 | etot = -14.6249037428599 -510000 ekin = 0.563118031118052 | erot = 0.290823209378379 | epot = -15.478844983279 | etot = -14.6249037427826 -511000 ekin = 0.545937816053849 | erot = 0.289659846600108 | epot = -15.4605014053159 | etot = -14.624903742662 -512000 ekin = 0.524051924661522 | erot = 0.288153919329358 | epot = -15.4371095865082 | etot = -14.6249037425174 -513000 ekin = 0.49930007419802 | erot = 0.286670443869403 | epot = -15.4108742604374 | etot = -14.6249037423699 -514000 ekin = 0.473556830410389 | erot = 0.285593013544029 | epot = -15.3840535861934 | etot = -14.624903742239 -515000 ekin = 0.448481344234872 | erot = 0.285274677057468 | epot = -15.3586597634305 | etot = -14.6249037421382 -516000 ekin = 0.425336124988155 | erot = 0.286000471485139 | epot = -15.3362403385481 | etot = -14.6249037420748 -517000 ekin = 0.404895133580943 | erot = 0.2879658116616 | epot = -15.3177646872915 | etot = -14.6249037420489 -518000 ekin = 0.38744137195972 | erot = 0.291271247088022 | epot = -15.303616361103 | etot = -14.6249037420552 -519000 ekin = 0.372839035852851 | erot = 0.295931281214127 | epot = -15.2936740591517 | etot = -14.6249037420847 -520000 ekin = 0.360656186943069 | erot = 0.301893194868317 | epot = -15.2874531239377 | etot = -14.6249037421263 -521000 ekin = 0.350310207443456 | erot = 0.30906098360489 | epot = -15.284274933218 | etot = -14.6249037421697 -522000 ekin = 0.341208800539667 | erot = 0.3173194084493 | epot = -15.2834319511953 | etot = -14.6249037422063 -523000 ekin = 0.332862997936835 | erot = 0.326553653087588 | epot = -15.284320393256 | etot = -14.6249037422315 -524000 ekin = 0.324955020060083 | erot = 0.336661144000867 | epot = -15.2865199063051 | etot = -14.6249037422441 -525000 ekin = 0.317352570821523 | erot = 0.347553686772997 | epot = -15.2898099998415 | etot = -14.624903742247 -526000 ekin = 0.310071537936527 | erot = 0.359150063852877 | epot = -15.2941253440357 | etot = -14.6249037422463 -527000 ekin = 0.30319969763022 | erot = 0.371361343285068 | epot = -15.2994647831647 | etot = -14.6249037422494 -528000 ekin = 0.296802852838113 | erot = 0.38407297047912 | epot = -15.3057795655799 | etot = -14.6249037422627 -529000 ekin = 0.290839689447243 | erot = 0.397128838352394 | epot = -15.31287227009 | etot = -14.6249037422904 -530000 ekin = 0.285110822260533 | erot = 0.410322608856898 | epot = -15.3203371734496 | etot = -14.6249037423322 -531000 ekin = 0.279260366287321 | erot = 0.423400398731777 | epot = -15.3275645074024 | etot = -14.6249037423833 -532000 ekin = 0.2728357059054 | erot = 0.436076588369062 | epot = -15.3338160367096 | etot = -14.6249037424351 -533000 ekin = 0.265395406955423 | erot = 0.448061330488706 | epot = -15.3383604799205 | etot = -14.6249037424763 -534000 ekin = 0.25664035180014 | erot = 0.45909504502717 | epot = -15.3406391393241 | etot = -14.6249037424968 -535000 ekin = 0.24653363369425 | erot = 0.468982742180589 | epot = -15.3404201183648 | etot = -14.62490374249 -536000 ekin = 0.235373881374767 | erot = 0.477620282696299 | epot = -15.3378979065254 | etot = -14.6249037424543 -537000 ekin = 0.223795203401825 | erot = 0.485006039595742 | epot = -15.3337049853926 | etot = -14.624903742395 -538000 ekin = 0.212682661997717 | erot = 0.491234540507922 | epot = -15.32882094483 | etot = -14.6249037423243 -539000 ekin = 0.203011536568094 | erot = 0.496472671628212 | epot = -15.324387950454 | etot = -14.6249037422577 -540000 ekin = 0.195638496925756 | erot = 0.500922912276288 | epot = -15.3214651514142 | etot = -14.6249037422122 -541000 ekin = 0.191090437373868 | erot = 0.504781043299473 | epot = -15.3207752228743 | etot = -14.624903742201 -542000 ekin = 0.189407567632351 | erot = 0.508197267609666 | epot = -15.3225085774711 | etot = -14.6249037422291 -543000 ekin = 0.190094034780963 | erot = 0.511249275631094 | epot = -15.3262470527038 | etot = -14.6249037422917 -544000 ekin = 0.192205662500001 | erot = 0.513933300996131 | epot = -15.3310427058706 | etot = -14.6249037423745 -545000 ekin = 0.194562943958398 | erot = 0.516174993404786 | epot = -15.3356416798198 | etot = -14.6249037424566 -546000 ekin = 0.196033343259865 | erot = 0.517857026727595 | epot = -15.3387941125054 | etot = -14.624903742518 -547000 ekin = 0.195801439086576 | erot = 0.518856237019659 | epot = -15.3395614186507 | etot = -14.6249037425445 -548000 ekin = 0.193552178457624 | erot = 0.519081068513043 | epot = -15.3375369895016 | etot = -14.6249037425309 -549000 ekin = 0.189527872077782 | erot = 0.518500763845595 | epot = -15.3329323784042 | etot = -14.6249037424808 -550000 ekin = 0.18446469719282 | erot = 0.517160608016848 | epot = -15.326529047614 | etot = -14.6249037424043 -551000 ekin = 0.17944751961377 | erot = 0.515181377053922 | epot = -15.3195326389815 | etot = -14.6249037423138 -552000 ekin = 0.175731062295071 | erot = 0.512744588095586 | epot = -15.3133793926126 | etot = -14.6249037422219 -553000 ekin = 0.174564310046339 | erot = 0.510067400325356 | epot = -15.3095354525118 | etot = -14.6249037421401 -554000 ekin = 0.177036897101121 | erot = 0.507372062614127 | epot = -15.309312701793 | etot = -14.6249037420777 -555000 ekin = 0.183953653121541 | erot = 0.50485506124058 | epot = -15.3137124564044 | etot = -14.6249037420423 -556000 ekin = 0.195740677804154 | erot = 0.502660902828886 | epot = -15.3233053226714 | etot = -14.6249037420384 -557000 ekin = 0.212389174813395 | erot = 0.500864749566249 | epot = -15.3381576664467 | etot = -14.6249037420671 -558000 ekin = 0.233445020972978 | erot = 0.499466731744177 | epot = -15.3578154948427 | etot = -14.6249037421256 -559000 ekin = 0.258048678278145 | erot = 0.498398734229532 | epot = -15.381351154715 | etot = -14.6249037422073 -560000 ekin = 0.285022157939727 | erot = 0.497541950864641 | epot = -15.4074678511075 | etot = -14.6249037423031 -561000 ekin = 0.312990622171893 | erot = 0.496751658908829 | epot = -15.4346460234834 | etot = -14.6249037424027 -562000 ekin = 0.340519848730057 | erot = 0.495884310852853 | epot = -15.461307902079 | etot = -14.6249037424961 -563000 ekin = 0.366249237356341 | erot = 0.494821962715706 | epot = -15.4859749426471 | etot = -14.6249037425751 -564000 ekin = 0.389003340228864 | erot = 0.493490109026347 | epot = -15.5073971918896 | etot = -14.6249037426344 -565000 ekin = 0.407871381975787 | erot = 0.491866632343088 | epot = -15.5246417569901 | etot = -14.6249037426712 -566000 ekin = 0.422251605413063 | erot = 0.489981232303539 | epot = -15.537136580402 | etot = -14.6249037426854 -567000 ekin = 0.431863045464991 | erot = 0.487906470955931 | epot = -15.5446732590994 | etot = -14.6249037426785 -568000 ekin = 0.436733840918529 | erot = 0.485743252286281 | epot = -15.5473808358582 | etot = -14.6249037426534 -569000 ekin = 0.437172173179269 | erot = 0.483603786385196 | epot = -15.5456797021777 | etot = -14.6249037426133 -570000 ekin = 0.43372713864672 | erot = 0.48159597879343 | epot = -15.5402268600018 | etot = -14.6249037425617 -571000 ekin = 0.42714180814445 | erot = 0.479812578148079 | epot = -15.5318581287948 | etot = -14.6249037425023 -572000 ekin = 0.418294466662065 | erot = 0.478326721683348 | epot = -15.5215249307851 | etot = -14.6249037424397 -573000 ekin = 0.408121101336508 | erot = 0.477193277919927 | epot = -15.5102181216365 | etot = -14.6249037423801 -574000 ekin = 0.397514818218918 | erot = 0.476453234966625 | epot = -15.4988717955165 | etot = -14.624903742331 -575000 ekin = 0.387207144490505 | erot = 0.476137354469736 | epot = -15.4882482412605 | etot = -14.6249037423002 -576000 ekin = 0.377649119218454 | erot = 0.476266044932873 | epot = -15.4788189064457 | etot = -14.6249037422944 -577000 ekin = 0.368920817133122 | erot = 0.476844730976094 | epot = -15.4706692904255 | etot = -14.6249037423163 -578000 ekin = 0.360700785231361 | erot = 0.47785688313413 | epot = -15.4634614107286 | etot = -14.6249037423631 -579000 ekin = 0.352319179858645 | erot = 0.479258927576455 | epot = -15.4564818498607 | etot = -14.6249037424256 -580000 ekin = 0.342901425190256 | erot = 0.480981430412058 | epot = -15.4487865980916 | etot = -14.6249037424893 -581000 ekin = 0.331586894252413 | erot = 0.482939076923234 | epot = -15.4394297137118 | etot = -14.6249037425361 -582000 ekin = 0.317784488003658 | erot = 0.485048781538909 | epot = -15.427737012092 | etot = -14.6249037425495 -583000 ekin = 0.301409490235786 | erot = 0.487252029394123 | epot = -15.4135652621474 | etot = -14.6249037425175 -584000 ekin = 0.283039202393456 | erot = 0.489535511255409 | epot = -15.3974784560865 | etot = -14.6249037424376 -585000 ekin = 0.263933313486932 | erot = 0.491944128119358 | epot = -15.3807811839248 | etot = -14.6249037423185 -586000 ekin = 0.245890887800014 | erot = 0.494582820570716 | epot = -15.36537745055 | etot = -14.6249037421793 -587000 ekin = 0.230956405619767 | erot = 0.497607010278002 | epot = -15.3534671579441 | etot = -14.6249037420464 -588000 ekin = 0.221033841917334 | erot = 0.501205839010304 | epot = -15.3471434228726 | etot = -14.6249037419449 -589000 ekin = 0.217504428503198 | erot = 0.505584588307916 | epot = -15.3479927587054 | etot = -14.6249037418943 -590000 ekin = 0.220953423088802 | erot = 0.510952138425678 | epot = -15.3568093034149 | etot = -14.6249037419004 -591000 ekin = 0.231083134064877 | erot = 0.517515644130037 | epot = -15.3735025201503 | etot = -14.6249037419554 -592000 ekin = 0.246829245753809 | erot = 0.525479282586983 | epot = -15.3972122703829 | etot = -14.6249037420421 -593000 ekin = 0.266628949730648 | erot = 0.535039778666154 | epot = -15.4265724705373 | etot = -14.6249037421405 -594000 ekin = 0.288743434935948 | erot = 0.546371032865159 | epot = -15.4600182100359 | etot = -14.6249037422348 -595000 ekin = 0.311533695301854 | erot = 0.559594229359111 | epot = -15.4960316669784 | etot = -14.6249037423174 -596000 ekin = 0.333624348261494 | erot = 0.574736425374244 | epot = -15.5332645160249 | etot = -14.6249037423892 -597000 ekin = 0.353943370598259 | erot = 0.591686591895167 | epot = -15.5705337049495 | etot = -14.6249037424561 -598000 ekin = 0.371670846224399 | erot = 0.610160828223706 | epot = -15.6067354169733 | etot = -14.6249037425252 -599000 ekin = 0.386151688530232 | erot = 0.629687420924543 | epot = -15.6407428520551 | etot = -14.6249037426004 -600000 ekin = 0.396824670884392 | erot = 0.649618644309618 | epot = -15.6713470578743 | etot = -14.6249037426803 -601000 ekin = 0.403202067553724 | erot = 0.669171693344937 | epot = -15.6972775036568 | etot = -14.6249037427581 -602000 ekin = 0.404908528299605 | erot = 0.687495721385225 | epot = -15.7173079925077 | etot = -14.6249037428229 -603000 ekin = 0.401765041348441 | erot = 0.703757265562351 | epot = -15.7304260497729 | etot = -14.6249037428621 -604000 ekin = 0.393886240081566 | erot = 0.717231476889447 | epot = -15.7360214598369 | etot = -14.6249037428659 -605000 ekin = 0.381750384954784 | erot = 0.727382711583162 | epot = -15.7340368393681 | etot = -14.6249037428302 -606000 ekin = 0.366205114567235 | erot = 0.733917584159895 | epot = -15.725026441486 | etot = -14.6249037427589 -607000 ekin = 0.348389460815329 | erot = 0.736798185090343 | epot = -15.7100913885696 | etot = -14.624903742664 -608000 ekin = 0.329579787369629 | erot = 0.73621262347853 | epot = -15.6906961534103 | etot = -14.6249037425622 -609000 ekin = 0.310994196072014 | erot = 0.732511274794253 | epot = -15.6684092133371 | etot = -14.6249037424709 -610000 ekin = 0.29360483588481 | erot = 0.726125549058504 | epot = -15.644634127347 | etot = -14.6249037424037 -611000 ekin = 0.278004208602607 | erot = 0.717488389874772 | epot = -15.6203963408453 | etot = -14.624903742368 -612000 ekin = 0.264353214553523 | erot = 0.706972008379557 | epot = -15.5962289652967 | etot = -14.6249037423637 -613000 ekin = 0.252415280668682 | erot = 0.694851301360247 | epot = -15.5721703244136 | etot = -14.6249037423847 -614000 ekin = 0.241662201717183 | erot = 0.681294462599197 | epot = -15.5478604067366 | etot = -14.6249037424202 -615000 ekin = 0.231427318529533 | erot = 0.666377599991891 | epot = -15.5227086609789 | etot = -14.6249037424574 -616000 ekin = 0.221078258759054 | erot = 0.650117838828839 | epot = -15.496099840071 | etot = -14.6249037424831 -617000 ekin = 0.21018039046722 | erot = 0.632518274251072 | epot = -15.4676024072045 | etot = -14.6249037424862 -618000 ekin = 0.198621509656023 | erot = 0.613617132100535 | epot = -15.4371423842165 | etot = -14.6249037424599 -619000 ekin = 0.18667044221321 | erot = 0.593532504056809 | epot = -15.405106688674 | etot = -14.624903742404 -620000 ekin = 0.174951539061334 | erot = 0.572493952083576 | epot = -15.3723492334691 | etot = -14.6249037423242 -621000 ekin = 0.164335257151748 | erot = 0.550854196820334 | epot = -15.3400931962044 | etot = -14.6249037422324 -622000 ekin = 0.155768039681223 | erot = 0.529078173717901 | epot = -15.3097499555421 | etot = -14.6249037421429 -623000 ekin = 0.150083571178067 | erot = 0.507711807337581 | epot = -15.2826991205843 | etot = -14.6249037420687 -624000 ekin = 0.147843467415026 | erot = 0.487337070698877 | epot = -15.2600842801327 | etot = -14.6249037420188 -625000 ekin = 0.149245521580685 | erot = 0.468521842126521 | epot = -15.2426711057039 | etot = -14.6249037419967 -626000 ekin = 0.154116108891011 | erot = 0.451772481731706 | epot = -15.230792332623 | etot = -14.6249037420003 -627000 ekin = 0.161979086426243 | erot = 0.437494698740521 | epot = -15.2243775271906 | etot = -14.6249037420239 -628000 ekin = 0.172174902879429 | erot = 0.425965324893993 | epot = -15.2230439698331 | etot = -14.6249037420597 -629000 ekin = 0.183995029152745 | erot = 0.417314987668754 | epot = -15.2262137589225 | etot = -14.624903742101 -630000 ekin = 0.196798066695247 | erot = 0.411519917957055 | epot = -15.2332217267955 | etot = -14.6249037421432 -631000 ekin = 0.210082131922237 | erot = 0.408400457424511 | epot = -15.2433863315318 | etot = -14.6249037421851 -632000 ekin = 0.223500184826661 | erot = 0.407624312389748 | epot = -15.2560282394451 | etot = -14.6249037422287 -633000 ekin = 0.236818662197368 | erot = 0.40871410814115 | epot = -15.2704365126172 | etot = -14.6249037422787 -634000 ekin = 0.249833574953511 | erot = 0.411060882467202 | epot = -15.2857981997609 | etot = -14.6249037423402 -635000 ekin = 0.262270239999869 | erot = 0.413946987960319 | epot = -15.3011209703766 | etot = -14.6249037424164 -636000 ekin = 0.273700147362094 | erot = 0.41658241201687 | epot = -15.3151863018853 | etot = -14.6249037425063 -637000 ekin = 0.283507856899951 | erot = 0.418156955202178 | epot = -15.3265685547055 | etot = -14.6249037426034 -638000 ekin = 0.290930324554581 | erot = 0.417906927432974 | epot = -15.3337409946828 | etot = -14.6249037426952 -639000 ekin = 0.295171730169445 | erot = 0.415189912095163 | epot = -15.3352653850311 | etot = -14.6249037427665 -640000 ekin = 0.295573453214757 | erot = 0.409556450349425 | epot = -15.330033646366 | etot = -14.6249037428018 -641000 ekin = 0.291798784614159 | erot = 0.400805216305592 | epot = -15.3175077437094 | etot = -14.6249037427896 -642000 ekin = 0.283982821763191 | erot = 0.389009767281871 | epot = -15.2978963317709 | etot = -14.6249037427259 -643000 ekin = 0.272803834295014 | erot = 0.374510198235057 | epot = -15.2722177751454 | etot = -14.6249037426153 -644000 ekin = 0.259451287281783 | erot = 0.357870303235152 | epot = -15.242225332988 | etot = -14.6249037424711 -645000 ekin = 0.245490538509252 | erot = 0.339807577758131 | epot = -15.2102018585797 | etot = -14.6249037423123 -646000 ekin = 0.232646751226996 | erot = 0.321107525182603 | epot = -15.1786580185706 | etot = -14.624903742161 -647000 ekin = 0.22254581022401 | erot = 0.302534738054871 | epot = -15.1499842903174 | etot = -14.6249037420385 -648000 ekin = 0.216457466201459 | erot = 0.284752019408104 | epot = -15.1261132275716 | etot = -14.624903741962 -649000 ekin = 0.215087078764693 | erot = 0.268256849270417 | epot = -15.1082476699768 | etot = -14.6249037419417 -650000 ekin = 0.218457489209268 | erot = 0.253342374384922 | epot = -15.0967036055725 | etot = -14.6249037419783 -651000 ekin = 0.225910420497663 | erot = 0.240087663214968 | epot = -15.090901825775 | etot = -14.6249037420623 -652000 ekin = 0.236236377394858 | erot = 0.228379019530766 | epot = -15.0895191391013 | etot = -14.6249037421757 -653000 ekin = 0.247915496412395 | erot = 0.217959688822015 | epot = -15.0907789275287 | etot = -14.6249037422943 -654000 ekin = 0.259425494352476 | erot = 0.208500305716241 | epot = -15.0928295424619 | etot = -14.6249037423932 -655000 ekin = 0.26955455820855 | erot = 0.199677958220202 | epot = -15.0941362588805 | etot = -14.6249037424517 -656000 ekin = 0.277652649609351 | erot = 0.191249336850371 | epot = -15.0938057289177 | etot = -14.624903742458 -657000 ekin = 0.283765747905513 | erot = 0.183104207684416 | epot = -15.0917736980008 | etot = -14.6249037424109 -658000 ekin = 0.288620908153495 | erot = 0.175289536735997 | epot = -15.0888141872111 | etot = -14.6249037423216 -659000 ekin = 0.293459924910638 | erot = 0.168001027405567 | epot = -15.0863646945267 | etot = -14.6249037422105 -660000 ekin = 0.299750121924058 | erot = 0.16154591329551 | epot = -15.0861997773236 | etot = -14.624903742104 -661000 ekin = 0.30882794580118 | erot = 0.15628680849445 | epot = -15.0900184963236 | etot = -14.624903742028 -662000 ekin = 0.321550844182007 | erot = 0.152579955314563 | epot = -15.0990345414996 | etot = -14.624903742003 -663000 ekin = 0.338040404322879 | erot = 0.150721656676574 | epot = -15.1136658030369 | etot = -14.6249037420375 -664000 ekin = 0.357588696379433 | erot = 0.150913925254324 | epot = -15.1334063637592 | etot = -14.6249037421255 -665000 ekin = 0.378766116435926 | erot = 0.153254852725576 | epot = -15.1569247114086 | etot = -14.6249037422471 -666000 ekin = 0.399716130930416 | erot = 0.157752003176736 | epot = -15.1823718764813 | etot = -14.6249037423741 -667000 ekin = 0.418564373573455 | erot = 0.164350192887448 | epot = -15.2078183089391 | etot = -14.6249037424782 -668000 ekin = 0.433827740573898 | erot = 0.172960630436554 | epot = -15.2316921135493 | etot = -14.6249037425388 -669000 ekin = 0.444701001629873 | erot = 0.183478145302767 | epot = -15.2530828894839 | etot = -14.6249037425513 -670000 ekin = 0.451136418416049 | erot = 0.195778468141822 | epot = -15.2718186290842 | etot = -14.6249037425263 -671000 ekin = 0.453701004148981 | erot = 0.209695862328768 | epot = -15.2883006089635 | etot = -14.6249037424857 -672000 ekin = 0.453273827001077 | erot = 0.224990306458558 | epot = -15.3031678759134 | etot = -14.6249037424538 -673000 ekin = 0.450699702661522 | erot = 0.241319095058617 | epot = -15.3169225401686 | etot = -14.6249037424485 -674000 ekin = 0.446523488450417 | erot = 0.258227823778676 | epot = -15.3296550547043 | etot = -14.6249037424752 -675000 ekin = 0.44088962459253 | erot = 0.275170305159689 | epot = -15.3409636722772 | etot = -14.624903742525 -676000 ekin = 0.433624481153454 | erot = 0.291558306506453 | epot = -15.350086530239 | etot = -14.6249037425791 -677000 ekin = 0.424453634856828 | erot = 0.306833290383679 | epot = -15.3561906678562 | etot = -14.6249037426157 -678000 ekin = 0.41326517646593 | erot = 0.320546114279227 | epot = -15.3587150333616 | etot = -14.6249037426165 -679000 ekin = 0.400321537247193 | erot = 0.332428088763687 | epot = -15.3576533685842 | etot = -14.6249037425733 -680000 ekin = 0.386341988793522 | erot = 0.342437977068841 | epot = -15.3536837083529 | etot = -14.6249037424906 -681000 ekin = 0.372417408219175 | erot = 0.350774050474234 | epot = -15.3480952010788 | etot = -14.6249037423854 -682000 ekin = 0.35976964508921 | erot = 0.357847594354926 | epot = -15.342520981727 | etot = -14.6249037422829 -683000 ekin = 0.349419724484302 | erot = 0.364223142873746 | epot = -15.3385466095668 | etot = -14.6249037422088 -684000 ekin = 0.341867426589136 | erot = 0.370539083005818 | epot = -15.3373102517758 | etot = -14.6249037421809 -685000 ekin = 0.336892967752833 | erot = 0.37742728588017 | epot = -15.3392239958362 | etot = -14.6249037422032 -686000 ekin = 0.333560575456658 | erot = 0.385449795148896 | epot = -15.343914112869 | etot = -14.6249037422634 -687000 ekin = 0.330440845244727 | erot = 0.395064019974615 | epot = -15.3504086075565 | etot = -14.6249037423372 -688000 ekin = 0.325996654362847 | erot = 0.406617593545496 | epot = -15.3575179903034 | etot = -14.624903742395 -689000 ekin = 0.319023752377333 | erot = 0.420363991129467 | epot = -15.3642914859188 | etot = -14.624903742412 -690000 ekin = 0.309020969988424 | erot = 0.436483939357874 | epot = -15.3704086517213 | etot = -14.624903742375 -691000 ekin = 0.296388973948975 | erot = 0.455097572739774 | epot = -15.3763902889748 | etot = -14.6249037422861 -692000 ekin = 0.282408410636019 | erot = 0.476257707732204 | epot = -15.3835698605304 | etot = -14.6249037421622 -693000 ekin = 0.269008530851688 | erot = 0.499923033173812 | epot = -15.393835306056 | etot = -14.6249037420305 -694000 ekin = 0.258387685788622 | erot = 0.525918285140571 | epot = -15.4092097128506 | etot = -14.6249037419214 -695000 ekin = 0.25257627520821 | erot = 0.553894058809888 | epot = -15.43137407588 | etot = -14.6249037418619 -696000 ekin = 0.253038186235009 | erot = 0.583300660396584 | epot = -15.4612425885012 | etot = -14.6249037418696 -697000 ekin = 0.260392018277579 | erot = 0.613388418368988 | epot = -15.4986841785954 | etot = -14.6249037419489 -698000 ekin = 0.274304391463509 | erot = 0.64324187918294 | epot = -15.5424500127365 | etot = -14.6249037420901 -699000 ekin = 0.293570250406769 | erot = 0.671848180609457 | epot = -15.5903221732877 | etot = -14.6249037422715 -700000 ekin = 0.316355070233514 | erot = 0.698191700483047 | epot = -15.639450513181 | etot = -14.6249037424644 -701000 ekin = 0.340538337282332 | erot = 0.721359481466447 | epot = -15.6868015613885 | etot = -14.6249037426397 -702000 ekin = 0.364075443764615 | erot = 0.740637254695032 | epot = -15.7296164412337 | etot = -14.6249037427741 -703000 ekin = 0.385294321874606 | erot = 0.75557636945477 | epot = -15.7657744341848 | etot = -14.6249037428555 -704000 ekin = 0.40306671671928 | erot = 0.766018576887906 | epot = -15.7939890364911 | etot = -14.6249037428839 -705000 ekin = 0.416833588997184 | erot = 0.772075474100319 | epot = -15.8138128059668 | etot = -14.6249037428693 -706000 ekin = 0.426510451501955 | erot = 0.774072055032491 | epot = -15.8254862493611 | etot = -14.6249037428266 -707000 ekin = 0.432328070473605 | erot = 0.772470813770598 | epot = -15.8297026270152 | etot = -14.624903742771 -708000 ekin = 0.434671210546145 | erot = 0.767794279505844 | epot = -15.8273692327653 | etot = -14.6249037427133 -709000 ekin = 0.433963855683832 | erot = 0.760560754832635 | epot = -15.8194283531753 | etot = -14.6249037426588 -710000 ekin = 0.430621214402396 | erot = 0.751241421805773 | epot = -15.8067663788157 | etot = -14.6249037426076 -711000 ekin = 0.42506102881634 | erot = 0.740240555545717 | epot = -15.7902053269187 | etot = -14.6249037425567 -712000 ekin = 0.417748693286703 | erot = 0.727895913280697 | epot = -15.7705483490698 | etot = -14.6249037425024 -713000 ekin = 0.409245407745788 | erot = 0.714493617369859 | epot = -15.7486427675576 | etot = -14.624903742442 -714000 ekin = 0.400233112897398 | erot = 0.700290376394005 | epot = -15.7254272316667 | etot = -14.6249037423753 -715000 ekin = 0.391499218630518 | erot = 0.685535269234734 | epot = -15.7019382301705 | etot = -14.6249037423053 -716000 ekin = 0.383874653287396 | erot = 0.67048382480872 | epot = -15.6792622203348 | etot = -14.6249037422387 -717000 ekin = 0.378129665172728 | erot = 0.655399296057203 | epot = -15.6584327034143 | etot = -14.6249037421843 -718000 ekin = 0.374843116814185 | erot = 0.640539821856989 | epot = -15.640286680823 | etot = -14.6249037421519 -719000 ekin = 0.374271424141624 | erot = 0.626134666228549 | epot = -15.6253098325193 | etot = -14.6249037421492 -720000 ekin = 0.376249546442097 | erot = 0.612356169201246 | epot = -15.6135094578233 | etot = -14.62490374218 -721000 ekin = 0.380155783156075 | erot = 0.599295758360148 | epot = -15.6043552837583 | etot = -14.6249037422421 -722000 ekin = 0.38496276143876 | erot = 0.586951574249477 | epot = -15.5968180780148 | etot = -14.6249037423265 -723000 ekin = 0.389379823381561 | erot = 0.57523200329734 | epot = -15.5895155690971 | etot = -14.6249037424182 -724000 ekin = 0.392071125783968 | erot = 0.563975606696704 | epot = -15.5809504749797 | etot = -14.624903742499 -725000 ekin = 0.391913283458913 | erot = 0.552983740178136 | epot = -15.5698007661881 | etot = -14.624903742551 -726000 ekin = 0.388241956532947 | erot = 0.542058916015296 | epot = -15.5552046151089 | etot = -14.6249037425607 -727000 ekin = 0.381032991792247 | erot = 0.531040454531364 | epot = -15.5369771888453 | etot = -14.6249037425217 -728000 ekin = 0.370971903191936 | erot = 0.51982908237483 | epot = -15.5157047280045 | etot = -14.6249037424377 -729000 ekin = 0.359388263612697 | erot = 0.508395729808055 | epot = -15.4926877357429 | etot = -14.6249037423222 -730000 ekin = 0.348057580439693 | erot = 0.496773021024349 | epot = -15.4697343436589 | etot = -14.6249037421949 -731000 ekin = 0.338902689199426 | erot = 0.48503267140759 | epot = -15.4488391026866 | etot = -14.6249037420796 -732000 ekin = 0.333649662945475 | erot = 0.473255762296962 | epot = -15.4318091672413 | etot = -14.6249037419988 -733000 ekin = 0.333505576676606 | erot = 0.461504910073432 | epot = -15.4199142287184 | etot = -14.6249037419684 -734000 ekin = 0.338924758984327 | erot = 0.449807254483215 | epot = -15.4136357554618 | etot = -14.6249037419943 -735000 ekin = 0.349515468577354 | erot = 0.438154711902627 | epot = -15.412573922551 | etot = -14.624903742071 -736000 ekin = 0.364111355274983 | erot = 0.426523255164317 | epot = -15.4155383526214 | etot = -14.6249037421821 -737000 ekin = 0.380995719774913 | erot = 0.414906900972836 | epot = -15.4208063630518 | etot = -14.6249037423041 -738000 ekin = 0.398229414671756 | erot = 0.403356227833025 | epot = -15.4264893849167 | etot = -14.6249037424119 -739000 ekin = 0.41400586007365 | erot = 0.392007798568608 | epot = -15.4309174011284 | etot = -14.6249037424862 -740000 ekin = 0.426948743963044 | erot = 0.381091720704502 | epot = -15.4329442071847 | etot = -14.6249037425172 -741000 ekin = 0.436283647683231 | erot = 0.370910229391922 | epot = -15.4320976195822 | etot = -14.6249037425071 -742000 ekin = 0.441850001827036 | erot = 0.361789064611271 | epot = -15.4285428089074 | etot = -14.6249037424691 -743000 ekin = 0.443963491147379 | erot = 0.354012421291793 | epot = -15.4228796548618 | etot = -14.6249037424227 -744000 ekin = 0.443178108515845 | erot = 0.347758127978261 | epot = -15.4158399788819 | etot = -14.6249037423878 -745000 ekin = 0.440021184885117 | erot = 0.343050543545259 | epot = -15.4079754708099 | etot = -14.6249037423795 -746000 ekin = 0.434779146250806 | erot = 0.339744491074207 | epot = -15.3994273797282 | etot = -14.6249037424032 -747000 ekin = 0.427396883605164 | erot = 0.337545938413876 | epot = -15.3898465644715 | etot = -14.6249037424524 -748000 ekin = 0.417523045840964 | erot = 0.336066252171354 | epot = -15.378493040523 | etot = -14.6249037425106 -749000 ekin = 0.404692764111769 | erot = 0.334898725161342 | epot = -15.3644952318284 | etot = -14.6249037425553 -750000 ekin = 0.38859628761696 | erot = 0.333700338300268 | epot = -15.3472003684814 | etot = -14.6249037425641 -751000 ekin = 0.369348367994352 | erot = 0.332259621152217 | epot = -15.3265117316697 | etot = -14.6249037425232 -752000 ekin = 0.347662572337044 | erot = 0.330533807749388 | epot = -15.3031001225185 | etot = -14.6249037424321 -753000 ekin = 0.32485637347094 | erot = 0.328645172901279 | epot = -15.2784052886778 | etot = -14.6249037423055 -754000 ekin = 0.302664104351826 | erot = 0.326836116135493 | epot = -15.2544039626575 | etot = -14.6249037421702 -755000 ekin = 0.282898405306331 | erot = 0.32539267738901 | epot = -15.2331948247533 | etot = -14.6249037420579 -756000 ekin = 0.267052130149665 | erot = 0.324553861438981 | epot = -15.216509733585 | etot = -14.6249037419963 -757000 ekin = 0.255952872034765 | erot = 0.32442748097694 | epot = -15.2052840950137 | etot = -14.624903742002 -758000 ekin = 0.24956686325818 | erot = 0.324931841855881 | epot = -15.1994024471896 | etot = -14.6249037420755 -759000 ekin = 0.247007285742243 | erot = 0.325777353497121 | epot = -15.1976883814409 | etot = -14.6249037422016 -760000 ekin = 0.246749335490674 | erot = 0.326494279608963 | epot = -15.1981473574513 | etot = -14.6249037423517 -761000 ekin = 0.247004464362755 | erot = 0.32650345690093 | epot = -15.1984116637543 | etot = -14.6249037424906 -762000 ekin = 0.246168267682973 | erot = 0.325217160867496 | epot = -15.196289171135 | etot = -14.6249037425846 -763000 ekin = 0.243236270174414 | erot = 0.32214932288445 | epot = -15.1902893356681 | etot = -14.6249037426092 -764000 ekin = 0.238083572627797 | erot = 0.31701054114624 | epot = -15.1799978563308 | etot = -14.6249037425568 -765000 ekin = 0.231530329805837 | erot = 0.309765883620828 | epot = -15.1661999558649 | etot = -14.6249037424383 -766000 ekin = 0.225163449189513 | erot = 0.300642577937803 | epot = -15.1507097694085 | etot = -14.6249037422812 -767000 ekin = 0.22094703764136 | erot = 0.290087936283322 | epot = -15.1359387160482 | etot = -14.6249037421235 -768000 ekin = 0.220714417705591 | erot = 0.278690999515505 | epot = -15.1243091592243 | etot = -14.6249037420032 -769000 ekin = 0.225674230585282 | erot = 0.267090069999639 | epot = -15.1176680425329 | etot = -14.6249037419479 -770000 ekin = 0.236066860406118 | erot = 0.255889903618327 | epot = -15.1168605059916 | etot = -14.6249037419672 -771000 ekin = 0.251070223471381 | erot = 0.245606888556436 | epot = -15.1215808540782 | etot = -14.6249037420503 -772000 ekin = 0.268985032795184 | erot = 0.236650197272858 | epot = -15.130538972238 | etot = -14.6249037421699 -773000 ekin = 0.287649902236207 | erot = 0.229335047808925 | epot = -15.1418886923348 | etot = -14.6249037422896 -774000 ekin = 0.304971347443521 | erot = 0.223914516380439 | epot = -15.1537896061995 | etot = -14.6249037423755 -775000 ekin = 0.319422560281353 | erot = 0.220611402282044 | epot = -15.1649377049685 | etot = -14.6249037424051 -776000 ekin = 0.330375903029014 | erot = 0.219632840721417 | epot = -15.1749124861243 | etot = -14.6249037423739 -777000 ekin = 0.338182326481318 | erot = 0.221157252264488 | epot = -15.1842433210425 | etot = -14.6249037422967 -778000 ekin = 0.34398099350531 | erot = 0.22529363977163 | epot = -15.1941783754801 | etot = -14.6249037422031 -779000 ekin = 0.349294202147492 | erot = 0.232023926337254 | epot = -15.2062218706139 | etot = -14.6249037421291 -780000 ekin = 0.355517983707864 | erot = 0.241146781675322 | epot = -15.2215685074905 | etot = -14.6249037421074 -781000 ekin = 0.36344584750217 | erot = 0.25224414994015 | epot = -15.2405937395998 | etot = -14.6249037421575 -782000 ekin = 0.372957766808887 | erot = 0.264688770758124 | epot = -15.2625502798461 | etot = -14.6249037422791 -783000 ekin = 0.38296926774882 | erot = 0.277702579812121 | epot = -15.2855755900113 | etot = -14.6249037424504 -784000 ekin = 0.391670514066059 | erot = 0.290462881206425 | epot = -15.3070371379046 | etot = -14.6249037426321 -785000 ekin = 0.397003136152363 | erot = 0.302237882822127 | epot = -15.3241447617524 | etot = -14.6249037427779 -786000 ekin = 0.397244540913185 | erot = 0.312520082335045 | epot = -15.3346683660963 | etot = -14.6249037428481 -787000 ekin = 0.391525061079143 | erot = 0.321121025638669 | epot = -15.33754982954 | etot = -14.6249037428222 -788000 ekin = 0.380116514494114 | erot = 0.328198366844194 | epot = -15.3332186240437 | etot = -14.6249037427054 -789000 ekin = 0.364402868102804 | erot = 0.334204933643257 | epot = -15.323511544273 | etot = -14.6249037425269 -790000 ekin = 0.346547882835914 | erot = 0.339772664564402 | epot = -15.3112242897307 | etot = -14.6249037423304 -791000 ekin = 0.328969533926533 | erot = 0.345562661329726 | epot = -15.2994359374168 | etot = -14.6249037421606 -792000 ekin = 0.313783234687151 | erot = 0.352120250332853 | epot = -15.290807227072 | etot = -14.624903742052 -793000 ekin = 0.302371973145348 | erot = 0.359769001653092 | epot = -15.2870447168183 | etot = -14.6249037420198 -794000 ekin = 0.295192752069156 | erot = 0.368565036951925 | epot = -15.2886615310787 | etot = -14.6249037420576 -795000 ekin = 0.291854072001083 | erot = 0.378316728407065 | epot = -15.2950745425492 | etot = -14.624903742141 -796000 ekin = 0.291420477240231 | erot = 0.388659220599418 | epot = -15.3049834400759 | etot = -14.6249037422363 -797000 ekin = 0.292835767594049 | erot = 0.399160677915359 | epot = -15.3169001878201 | etot = -14.6249037423107 -798000 ekin = 0.295321690655136 | erot = 0.40942991973209 | epot = -15.3296553527312 | etot = -14.624903742344 -799000 ekin = 0.298615606685619 | erot = 0.419195269464138 | epot = -15.3427146184843 | etot = -14.6249037423346 -800000 ekin = 0.302963113079283 | erot = 0.428333265393292 | epot = -15.3562001207729 | etot = -14.6249037423003 -801000 ekin = 0.308869807419017 | erot = 0.436842111958073 | epot = -15.3706156616482 | etot = -14.6249037422711 -802000 ekin = 0.316711643346418 | erot = 0.444773620895252 | epot = -15.3863890065178 | etot = -14.6249037422762 -803000 ekin = 0.326365730602249 | erot = 0.452151664704984 | epot = -15.403421137639 | etot = -14.6249037423317 -804000 ekin = 0.337019280358016 | erot = 0.458909057451227 | epot = -15.4208320802433 | etot = -14.6249037424341 -805000 ekin = 0.347244531512768 | erot = 0.464865921886024 | epot = -15.4370141959588 | etot = -14.62490374256 -806000 ekin = 0.355321558015419 | erot = 0.469755825324061 | epot = -15.449981126015 | etot = -14.6249037426755 -807000 ekin = 0.359699244804511 | erot = 0.473288399899576 | epot = -15.457891387451 | etot = -14.6249037427469 -808000 ekin = 0.35944291943687 | erot = 0.475225772200724 | epot = -15.4595724343888 | etot = -14.6249037427512 -809000 ekin = 0.354532149711152 | erot = 0.475448148012716 | epot = -15.4548840404063 | etot = -14.6249037426824 -810000 ekin = 0.34592712151575 | erot = 0.473990365430488 | epot = -15.4448212294989 | etot = -14.6249037425527 -811000 ekin = 0.335391497319932 | erot = 0.47104235524006 | epot = -15.4313375949483 | etot = -14.6249037423883 -812000 ekin = 0.325122479809716 | erot = 0.466917662640269 | epot = -15.4169438846729 | etot = -14.624903742223 -813000 ekin = 0.317281832618796 | erot = 0.462001954841414 | epot = -15.4041875295496 | etot = -14.6249037420894 -814000 ekin = 0.313538689251802 | erot = 0.456696276151744 | epot = -15.3951387074161 | etot = -14.6249037420126 -815000 ekin = 0.314725301427551 | erot = 0.451368238943745 | epot = -15.3909972823755 | etot = -14.6249037420042 -816000 ekin = 0.320674745952841 | erot = 0.446320054204994 | epot = -15.3918985422197 | etot = -14.6249037420619 -817000 ekin = 0.330264402530169 | erot = 0.441777145070237 | epot = -15.3969452897705 | etot = -14.6249037421701 -818000 ekin = 0.341643112116294 | erot = 0.437896324121931 | epot = -15.4044431785426 | etot = -14.6249037423044 -819000 ekin = 0.352584467965985 | erot = 0.434788688971306 | epot = -15.4122768993744 | etot = -14.6249037424371 -820000 ekin = 0.360890006680584 | erot = 0.432549774287109 | epot = -15.4183435235104 | etot = -14.6249037425427 -821000 ekin = 0.364764924967109 | erot = 0.43128829359489 | epot = -15.420956961164 | etot = -14.624903742602 -822000 ekin = 0.363101323048021 | erot = 0.431144612410221 | epot = -15.419149678064 | etot = -14.6249037426058 -823000 ekin = 0.355627506071419 | erot = 0.43229307921143 | epot = -15.4128243278382 | etot = -14.6249037425554 -824000 ekin = 0.342909507999076 | erot = 0.434926118199362 | epot = -15.4027393686599 | etot = -14.6249037424615 -825000 ekin = 0.326218347990279 | erot = 0.439222871854997 | epot = -15.390344962187 | etot = -14.6249037423417 -826000 ekin = 0.307298067026364 | erot = 0.445309293137064 | epot = -15.3775111023799 | etot = -14.6249037422164 -827000 ekin = 0.288081469809457 | erot = 0.453218819733404 | epot = -15.3662040316486 | etot = -14.6249037421057 -828000 ekin = 0.270403517643933 | erot = 0.462862712071296 | epot = -15.358169971741 | etot = -14.6249037420258 -829000 ekin = 0.255756724313351 | erot = 0.474017347276038 | epot = -15.3546778135762 | etot = -14.6249037419868 -830000 ekin = 0.245120383539822 | erot = 0.48633201659407 | epot = -15.3563561421258 | etot = -14.624903741992 -831000 ekin = 0.238883956789673 | erot = 0.499357971990034 | epot = -15.3631456708166 | etot = -14.6249037420369 -832000 ekin = 0.236868645663221 | erot = 0.512595315427615 | epot = -15.3743677032019 | etot = -14.6249037421111 -833000 ekin = 0.238435989569064 | erot = 0.525550909042522 | epot = -15.3888906408114 | etot = -14.6249037421998 -834000 ekin = 0.242658569128244 | erot = 0.537797737790336 | epot = -15.405360049206 | etot = -14.6249037422874 -835000 ekin = 0.248518315376458 | erot = 0.549024910269567 | epot = -15.4224469680061 | etot = -14.62490374236 -836000 ekin = 0.255095050223297 | erot = 0.559068449138061 | epot = -15.4390672417691 | etot = -14.6249037424078 -837000 ekin = 0.261712817640754 | erot = 0.567916383627862 | epot = -15.4545329436951 | etot = -14.6249037424265 -838000 ekin = 0.268023056778799 | erot = 0.575686784519135 | epot = -15.468613583716 | etot = -14.6249037424181 -839000 ekin = 0.274018270323247 | erot = 0.582582979366575 | epot = -15.481504992079 | etot = -14.6249037423892 -840000 ekin = 0.279983100774044 | erot = 0.588834754839254 | epot = -15.493721597963 | etot = -14.6249037423497 -841000 ekin = 0.286398274628748 | erot = 0.594637024330571 | epot = -15.5059390412695 | etot = -14.6249037423102 -842000 ekin = 0.293816650983671 | erot = 0.600098453280244 | epot = -15.5188188465455 | etot = -14.6249037422816 -843000 ekin = 0.302726774569864 | erot = 0.605208920748267 | epot = -15.5328394375906 | etot = -14.6249037422725 -844000 ekin = 0.313421069061913 | erot = 0.609833296484503 | epot = -15.5481581078352 | etot = -14.6249037422888 -845000 ekin = 0.325887895395929 | erot = 0.613733577818103 | epot = -15.5645252155455 | etot = -14.6249037423314 -846000 ekin = 0.33975240096389 | erot = 0.616615984720062 | epot = -15.5812721280797 | etot = -14.6249037423957 -847000 ekin = 0.354292335350613 | erot = 0.618194079532099 | epot = -15.5973901573538 | etot = -14.624903742471 -848000 ekin = 0.368542667425734 | erot = 0.618254639141467 | epot = -15.6117010491094 | etot = -14.6249037425422 -849000 ekin = 0.381474241846711 | erot = 0.616711095272622 | epot = -15.6230890797133 | etot = -14.624903742594 -850000 ekin = 0.392198266664605 | erot = 0.613631554978577 | epot = -15.6307335642585 | etot = -14.6249037426153 -851000 ekin = 0.400129367739792 | erot = 0.609234588534973 | epot = -15.6342676988789 | etot = -14.6249037426041 -852000 ekin = 0.405049998800082 | erot = 0.603854451145949 | epot = -15.6338081925133 | etot = -14.6249037425673 -853000 ekin = 0.407056563943438 | erot = 0.597885334647268 | epot = -15.6298456411094 | etot = -14.6249037425187 -854000 ekin = 0.406415158940066 | erot = 0.591718979209663 | epot = -15.623037880623 | etot = -14.6249037424732 -855000 ekin = 0.403390043513582 | erot = 0.585690332508252 | epot = -15.6139841184641 | etot = -14.6249037424422 -856000 ekin = 0.398116166002876 | erot = 0.580042463524147 | epot = -15.6030623719562 | etot = -14.6249037424292 -857000 ekin = 0.39056801615961 | erot = 0.574915889724005 | epot = -15.5903876483121 | etot = -14.6249037424285 -858000 ekin = 0.380638245095305 | erot = 0.570361176879803 | epot = -15.5759031644036 | etot = -14.6249037424285 -859000 ekin = 0.368297168913566 | erot = 0.566367903414504 | epot = -15.5595688147431 | etot = -14.624903742415 -860000 ekin = 0.353771484485059 | erot = 0.56289933566622 | epot = -15.5415745625294 | etot = -14.6249037423781 -861000 ekin = 0.33766818907467 | erot = 0.559921190515333 | epot = -15.5224931219057 | etot = -14.6249037423157 -862000 ekin = 0.320982687533336 | erot = 0.557415114411014 | epot = -15.5033015441806 | etot = -14.6249037422363 -863000 ekin = 0.304965814690107 | erot = 0.555372641471618 | epot = -15.485242198319 | etot = -14.6249037421573 -864000 ekin = 0.290872653002407 | erot = 0.5537720825734 | epot = -15.4695484776756 | etot = -14.6249037420998 -865000 ekin = 0.27966077424891 | erot = 0.552546988654679 | epot = -15.4571115049861 | etot = -14.6249037420825 -866000 ekin = 0.271730646598884 | erot = 0.551558423385933 | epot = -15.4481928120997 | etot = -14.6249037421148 -867000 ekin = 0.266795961580335 | erot = 0.550582916185739 | epot = -15.442282619959 | etot = -14.6249037421929 -868000 ekin = 0.263936467175558 | erot = 0.549323573879739 | epot = -15.4381637833552 | etot = -14.6249037422999 -869000 ekin = 0.261831470221842 | erot = 0.547444696243082 | epot = -15.4341799088743 | etot = -14.6249037424094 -870000 ekin = 0.259116433169414 | erot = 0.544622620095275 | epot = -15.4286427957584 | etot = -14.6249037424937 -871000 ekin = 0.254766113418661 | erot = 0.540599894777671 | epot = -15.4202697507265 | etot = -14.6249037425302 -872000 ekin = 0.248397230691804 | erot = 0.535228153627548 | epot = -15.4085291268285 | etot = -14.6249037425092 -873000 ekin = 0.240403953826285 | erot = 0.528487826572583 | epot = -15.3937955228344 | etot = -14.6249037424355 -874000 ekin = 0.231884125783745 | erot = 0.520479317821078 | epot = -15.3772671859334 | etot = -14.6249037423285 -875000 ekin = 0.224371090313998 | erot = 0.511388489700788 | epot = -15.3606633222313 | etot = -14.6249037422165 -876000 ekin = 0.219440883380304 | erot = 0.501436812694108 | epot = -15.3457814382033 | etot = -14.6249037421289 -877000 ekin = 0.218302972736541 | erot = 0.490831150818269 | epot = -15.3340378656425 | etot = -14.6249037420877 -878000 ekin = 0.221492456263516 | erot = 0.479728387736696 | epot = -15.3261245861012 | etot = -14.624903742101 -879000 ekin = 0.228756262275047 | erot = 0.468225594693746 | epot = -15.3218855991288 | etot = -14.62490374216 -880000 ekin = 0.23916916008879 | erot = 0.456378166082174 | epot = -15.3204510684128 | etot = -14.6249037422418 -881000 ekin = 0.251443176614632 | erot = 0.444238659513065 | epot = -15.3205855784454 | etot = -14.6249037423177 -882000 ekin = 0.264330844663881 | erot = 0.43190128969608 | epot = -15.3211358767216 | etot = -14.6249037423616 -883000 ekin = 0.276992343361879 | erot = 0.419534292632584 | epot = -15.3214303783539 | etot = -14.6249037423594 -884000 ekin = 0.289210952362963 | erot = 0.407386172192775 | epot = -15.3215008668683 | etot = -14.6249037423126 -885000 ekin = 0.301394205511005 | erot = 0.395760928443894 | epot = -15.3220588761927 | etot = -14.6249037422378 -886000 ekin = 0.31436859920589 | erot = 0.384968165379889 | epot = -15.3242405067469 | etot = -14.6249037421611 -887000 ekin = 0.329038341775477 | erot = 0.375262338090619 | epot = -15.3292044219764 | etot = -14.6249037421103 -888000 ekin = 0.346015111155314 | erot = 0.366788650328168 | epot = -15.3377075035892 | etot = -14.6249037421057 -889000 ekin = 0.365329693883282 | erot = 0.35955094737734 | epot = -15.3497843834164 | etot = -14.6249037421558 -890000 ekin = 0.386310696216818 | erot = 0.353410826838142 | epot = -15.3646252653079 | etot = -14.6249037422529 -891000 ekin = 0.407668087054666 | erot = 0.348119126036796 | epot = -15.3806909554674 | etot = -14.6249037423759 -892000 ekin = 0.427761236102702 | erot = 0.343372786942168 | epot = -15.396037765541 | etot = -14.6249037424962 -893000 ekin = 0.444977236018704 | erot = 0.338883525692821 | epot = -15.4087645042964 | etot = -14.6249037425849 -894000 ekin = 0.458112158679596 | erot = 0.334441343917346 | epot = -15.4174572452184 | etot = -14.6249037426214 -895000 ekin = 0.466648008330968 | erot = 0.329956933565266 | epot = -15.4215086844955 | etot = -14.6249037425992 -896000 ekin = 0.470850232518833 | erot = 0.325472374552695 | epot = -15.421226349598 | etot = -14.6249037425264 -897000 ekin = 0.471664510487189 | erot = 0.321137893833246 | epot = -15.4177061467443 | etot = -14.6249037424239 -898000 ekin = 0.470447771985121 | erot = 0.31716128210791 | epot = -15.4125127964118 | etot = -14.6249037423187 -899000 ekin = 0.468609320535131 | erot = 0.31374324783162 | epot = -15.4072563106044 | etot = -14.6249037422377 -900000 ekin = 0.467255363896452 | erot = 0.311015004595572 | epot = -15.4031741106926 | etot = -14.6249037422006 -901000 ekin = 0.466923299456765 | erot = 0.308993431077939 | epot = -15.4008204727507 | etot = -14.624903742216 -902000 ekin = 0.467466399705909 | erot = 0.307564919774022 | epot = -15.3999350617589 | etot = -14.624903742279 -903000 ekin = 0.468112799245423 | erot = 0.30650258938551 | epot = -15.3995191310034 | etot = -14.6249037423724 -904000 ekin = 0.467682260081114 | erot = 0.305513914729626 | epot = -15.3980999172821 | etot = -14.6249037424714 -905000 ekin = 0.464906903208319 | erot = 0.304308207539406 | epot = -15.3941188532968 | etot = -14.6249037425491 -906000 ekin = 0.458775313350499 | erot = 0.302667437698498 | epot = -15.3863464936332 | etot = -14.6249037425842 -907000 ekin = 0.448811106797387 | erot = 0.300501710925559 | epot = -15.3742165602889 | etot = -14.624903742566 -908000 ekin = 0.435212888278633 | erot = 0.297873922704189 | epot = -15.3579905534804 | etot = -14.6249037424975 -909000 ekin = 0.418821166579361 | erot = 0.294986492955396 | epot = -15.3387114019291 | etot = -14.6249037423944 -910000 ekin = 0.400928155652502 | erot = 0.292134043124591 | epot = -15.3179659410567 | etot = -14.6249037422796 -911000 ekin = 0.38299073131904 | erot = 0.289635345607532 | epot = -15.2975298191036 | etot = -14.624903742177 -912000 ekin = 0.366329155570265 | erot = 0.287762457046 | epot = -15.2789953547218 | etot = -14.6249037421055 -913000 ekin = 0.351888443631644 | erot = 0.286683662572436 | epot = -15.263475848279 | etot = -14.6249037420749 -914000 ekin = 0.340111462795988 | erot = 0.286431278414276 | epot = -15.2514464832956 | etot = -14.6249037420854 -915000 ekin = 0.330936398540546 | erot = 0.286898247266849 | epot = -15.2427383879358 | etot = -14.6249037421284 -916000 ekin = 0.32389927160205 | erot = 0.287861143478129 | epot = -15.2366641572708 | etot = -14.6249037421907 -917000 ekin = 0.318302399047882 | erot = 0.289022784864801 | epot = -15.2322289261694 | etot = -14.6249037422567 -918000 ekin = 0.313403328232211 | erot = 0.290065205370544 | epot = -15.2283722759156 | etot = -14.6249037423128 -919000 ekin = 0.308582994047746 | erot = 0.290702987753655 | epot = -15.2241897241503 | etot = -14.6249037423489 -920000 ekin = 0.303462620955297 | erot = 0.290727692024701 | epot = -15.2190940553404 | etot = -14.6249037423604 -921000 ekin = 0.297952758523176 | erot = 0.290036267627134 | epot = -15.2128927684984 | etot = -14.624903742348 -922000 ekin = 0.292232329167479 | erot = 0.288639696922892 | epot = -15.2057757684081 | etot = -14.6249037423177 -923000 ekin = 0.286668877938219 | erot = 0.286652137103033 | epot = -15.1982247573198 | etot = -14.6249037422785 -924000 ekin = 0.281701868658443 | erot = 0.284264668755385 | epot = -15.1908702796542 | etot = -14.6249037422404 -925000 ekin = 0.277717553237889 | erot = 0.281710557644916 | epot = -15.1843318530949 | etot = -14.6249037422121 -926000 ekin = 0.274945509179126 | erot = 0.279230091666523 | epot = -15.1790793430443 | etot = -14.6249037421987 -927000 ekin = 0.273402631519641 | erot = 0.277042382113033 | epot = -15.1753487558335 | etot = -14.6249037422009 -928000 ekin = 0.272900230271313 | erot = 0.27532923254522 | epot = -15.1731332050308 | etot = -14.6249037422143 -929000 ekin = 0.273115271900815 | erot = 0.274232799537056 | epot = -15.1722518136686 | etot = -14.6249037422307 -930000 ekin = 0.273710515355576 | erot = 0.273865029643896 | epot = -15.1724792872395 | etot = -14.6249037422401 -931000 ekin = 0.274474107139751 | erot = 0.274323617228769 | epot = -15.1737014666023 | etot = -14.6249037422338 -932000 ekin = 0.275440857683152 | erot = 0.275707340216854 | epot = -15.176051940107 | etot = -14.624903742207 -933000 ekin = 0.276957575781874 | erot = 0.278123705988361 | epot = -15.1799850239313 | etot = -14.6249037421611 -934000 ekin = 0.279664435383878 | erot = 0.281683992543418 | epot = -15.1862521700318 | etot = -14.6249037421045 -935000 ekin = 0.284382433296915 | erot = 0.286484503522641 | epot = -15.1957706788708 | etot = -14.6249037420512 -936000 ekin = 0.291920557579979 | erot = 0.292577187598074 | epot = -15.2094014871964 | etot = -14.6249037420184 -937000 ekin = 0.302840159169775 | erot = 0.299936553990588 | epot = -15.2276804551825 | etot = -14.6249037420221 -938000 ekin = 0.317231541763407 | erot = 0.308432066638773 | epot = -15.2505673504752 | etot = -14.6249037420731 -939000 ekin = 0.334562734704664 | erot = 0.317815317270636 | epot = -15.2772817941479 | etot = -14.6249037421726 -940000 ekin = 0.353649521805238 | erot = 0.327729086105133 | epot = -15.3062823502217 | etot = -14.6249037423114 -941000 ekin = 0.372770367646981 | erot = 0.337741122003566 | epot = -15.3354152321204 | etot = -14.6249037424699 -942000 ekin = 0.389915662531947 | erot = 0.347399749799135 | epot = -15.3622191549531 | etot = -14.6249037426221 -943000 ekin = 0.403126345739486 | erot = 0.356302369934052 | epot = -15.3843324584141 | etot = -14.6249037427406 -944000 ekin = 0.410851754406517 | erot = 0.364163156178947 | epot = -15.3999186533885 | etot = -14.624903742803 -945000 ekin = 0.412247920960694 | erot = 0.370864511414574 | epot = -15.4080161751724 | etot = -14.6249037427972 -946000 ekin = 0.407348747780355 | erot = 0.376479254457633 | epot = -15.4087317449614 | etot = -14.6249037427235 -947000 ekin = 0.397071124217177 | erot = 0.381256899558804 | epot = -15.4032317663713 | etot = -14.6249037425953 -948000 ekin = 0.383053455726579 | erot = 0.385576026491136 | epot = -15.3935332246539 | etot = -14.6249037424362 -949000 ekin = 0.367364810070546 | erot = 0.389872987609663 | epot = -15.382141539954 | etot = -14.6249037422738 -950000 ekin = 0.352149150211141 | erot = 0.394562514443112 | epot = -15.371615406789 | etot = -14.6249037421348 -951000 ekin = 0.339280178143099 | erot = 0.399966938641359 | epot = -15.3641508588234 | etot = -14.6249037420389 -952000 ekin = 0.330096120379237 | erot = 0.406268489131811 | epot = -15.3612683515071 | etot = -14.6249037419961 -953000 ekin = 0.325261831669684 | erot = 0.413492937870729 | epot = -15.3636585115451 | etot = -14.6249037420047 -954000 ekin = 0.324774911929383 | erot = 0.421526046053159 | epot = -15.3712047000361 | etot = -14.6249037420535 -955000 ekin = 0.328098170459405 | erot = 0.43015685816017 | epot = -15.3831587707447 | etot = -14.6249037421252 -956000 ekin = 0.334370903123805 | erot = 0.439135698166764 | epot = -15.3984103434923 | etot = -14.6249037422018 -957000 ekin = 0.342633913360331 | erot = 0.448231239799098 | epot = -15.415768895429 | etot = -14.6249037422696 -958000 ekin = 0.352004139469646 | erot = 0.457271615167415 | epot = -15.4341794969597 | etot = -14.6249037423226 -959000 ekin = 0.361755395785228 | erot = 0.466159587643494 | epot = -15.4528187257923 | etot = -14.6249037423635 -960000 ekin = 0.371296348402955 | erot = 0.474860087932416 | epot = -15.4710601787363 | etot = -14.6249037424009 -961000 ekin = 0.380073790912418 | erot = 0.483367158174937 | epot = -15.4883446915324 | etot = -14.624903742445 -962000 ekin = 0.387455548950117 | erot = 0.491663490520803 | epot = -15.5040227819739 | etot = -14.624903742503 -963000 ekin = 0.392654097311874 | erot = 0.49968729563245 | epot = -15.5172451355191 | etot = -14.6249037425748 -964000 ekin = 0.394737939559185 | erot = 0.507318071995981 | epot = -15.5269597542072 | etot = -14.624903742652 -965000 ekin = 0.392748486467115 | erot = 0.514386334667554 | epot = -15.5320385638537 | etot = -14.6249037427191 -966000 ekin = 0.38590547325284 | erot = 0.520705106527849 | epot = -15.5315143225377 | etot = -14.624903742757 -967000 ekin = 0.373852021645421 | erot = 0.526114369234909 | epot = -15.5248701336288 | etot = -14.6249037427485 -968000 ekin = 0.356869417135994 | erot = 0.530525868585158 | epot = -15.5122990284054 | etot = -14.6249037426842 -969000 ekin = 0.335986889834556 | erot = 0.533955228284217 | epot = -15.4948458606857 | etot = -14.624903742567 -970000 ekin = 0.312927788672648 | erot = 0.536531428461786 | epot = -15.4743629595477 | etot = -14.6249037424133 -971000 ekin = 0.289872105907182 | erot = 0.538479668129509 | epot = -15.4532555162878 | etot = -14.6249037422511 -972000 ekin = 0.269070232407033 | erot = 0.540080898361602 | epot = -15.4340548728818 | etot = -14.6249037421131 -973000 ekin = 0.252397022945933 | erot = 0.54161782723094 | epot = -15.4189185922051 | etot = -14.6249037420282 -974000 ekin = 0.240964852823081 | erot = 0.543321042152107 | epot = -15.4091896369882 | etot = -14.624903742013 -975000 ekin = 0.23490216482483 | erot = 0.545328986458791 | epot = -15.4051348933517 | etot = -14.6249037420681 -976000 ekin = 0.233353466622718 | erot = 0.547671994180028 | epot = -15.4059292029808 | etot = -14.624903742178 -977000 ekin = 0.23469220109011 | erot = 0.550284513867316 | epot = -15.4098804572738 | etot = -14.6249037423163 -978000 ekin = 0.236887903181319 | erot = 0.553043053342949 | epot = -15.4148346989756 | etot = -14.6249037424513 -979000 ekin = 0.237945797132614 | erot = 0.555821040963938 | epot = -15.4186705806485 | etot = -14.624903742552 -980000 ekin = 0.236334546964098 | erot = 0.558547250125554 | epot = -15.4197855396836 | etot = -14.624903742594 -981000 ekin = 0.231322843924842 | erot = 0.561252158433111 | epot = -15.4174787449233 | etot = -14.6249037425653 -982000 ekin = 0.223154169545187 | erot = 0.564087592075058 | epot = -15.4121455040898 | etot = -14.6249037424696 -983000 ekin = 0.213008719539848 | erot = 0.567310103887051 | epot = -15.405222565754 | etot = -14.6249037423271 -984000 ekin = 0.202740628548823 | erot = 0.571227590062905 | epot = -15.3988719607832 | etot = -14.6249037421715 -985000 ekin = 0.19443566515497 | erot = 0.576119771488149 | epot = -15.395459178685 | etot = -14.6249037420419 -986000 ekin = 0.189894304519326 | erot = 0.582152858152867 | epot = -15.3969509046438 | etot = -14.6249037419716 -987000 ekin = 0.190182835425093 | erot = 0.589313613953994 | epot = -15.4044001913574 | etot = -14.6249037419783 -988000 ekin = 0.195390213187501 | erot = 0.597385005524193 | epot = -15.4176789607687 | etot = -14.624903742057 -989000 ekin = 0.204671362362471 | erot = 0.605974905403898 | epot = -15.4355500099488 | etot = -14.6249037421824 -990000 ekin = 0.216563394578787 | erot = 0.614593273597699 | epot = -15.4560604104926 | etot = -14.6249037423161 -991000 ekin = 0.229465191862139 | erot = 0.622757127490779 | epot = -15.4771260617733 | etot = -14.6249037424204 -992000 ekin = 0.242114271128949 | erot = 0.630092599917091 | epot = -15.4971106135164 | etot = -14.6249037424704 -993000 ekin = 0.253902581480084 | erot = 0.636403793831659 | epot = -15.5152101177729 | etot = -14.6249037424612 -994000 ekin = 0.264939510335902 | erot = 0.641689105048086 | epot = -15.5315323577919 | etot = -14.6249037424079 -995000 ekin = 0.275864888579236 | erot = 0.646102898208602 | epot = -15.5468715291263 | etot = -14.6249037423384 -996000 ekin = 0.287497820770256 | erot = 0.649877086441226 | epot = -15.5622786494954 | etot = -14.6249037422839 -997000 ekin = 0.300450307467438 | erot = 0.65322742357329 | epot = -15.5785814733092 | etot = -14.6249037422685 -998000 ekin = 0.314829914377602 | erot = 0.656270894957618 | epot = -15.5960045516385 | etot = -14.6249037423033 -999000 ekin = 0.330110494517114 | erot = 0.658973630822449 | epot = -15.6139878677246 | etot = -14.624903742385 -1000000 ekin = 0.345190458650495 | erot = 0.661138339466907 | epot = -15.6312325406154 | etot = -14.624903742498 - 1000000 0.025569664 -1.5839232 0.020799898 -1.5286042 -3.5789082e-06 -Loop time of 16.5683 on 1 procs for 1000000 steps with 10 atoms - -Performance: 52147.644 tau/day, 60356.069 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 | 12.734 | 12.734 | 12.734 | 0.0 | 76.86 -Bond | 0.62259 | 0.62259 | 0.62259 | 0.0 | 3.76 -Neigh | 0 | 0 | 0 | 0.0 | 0.00 -Comm | 0.18386 | 0.18386 | 0.18386 | 0.0 | 1.11 -Output | 7e-06 | 7e-06 | 7e-06 | 0.0 | 0.00 -Modify | 2.7788 | 2.7788 | 2.7788 | 0.0 | 16.77 -Other | | 0.2491 | | | 1.50 - -Nlocal: 10.0 ave 10.0 max 10.0 min -Histogram: 1 0 0 0 0 0 0 0 0 0 -Nghost: 0.0 ave 0.0 max 0.0 min -Histogram: 1 0 0 0 0 0 0 0 0 0 -Neighs: 37.0 ave 37.0 max 37.0 min -Histogram: 1 0 0 0 0 0 0 0 0 0 - -Total # of neighbors = 37 -Ave neighs/atom = 3.7 -Ave special neighs/atom = 3.6 -Neighbor list builds = 0 -Dangerous builds = 0 - -#write_restart config.${number}.* -Total wall time: 0:00:16 diff --git a/examples/PACKAGES/cgdna/examples/oxDNA2/duplex3/log.30Jun20.duplex3.g++.4 b/examples/PACKAGES/cgdna/examples/oxDNA2/duplex3/log.30Jun20.duplex3.g++.4 deleted file mode 100644 index f798b331e4..0000000000 --- a/examples/PACKAGES/cgdna/examples/oxDNA2/duplex3/log.30Jun20.duplex3.g++.4 +++ /dev/null @@ -1,1182 +0,0 @@ -LAMMPS (30 Jun 2020) -variable number equal 3 -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 -WARNING: Atom_style hybrid defines both pertype and peratom masses - both must be set, only peratom masses will be used (../atom_vec_hybrid.cpp:156) -atom_modify sort 0 1.0 - -# Pair interactions require lists of neighbours to be calculated -neighbor 1.0 bin -neigh_modify every 1 delay 0 check yes - -read_data data.duplex3 - orthogonal box = (-20 -20 -20) to (20 20 20) - 1 by 2 by 2 MPI processor grid - reading atoms ... - 10 atoms - reading velocities ... - 10 velocities - 10 ellipsoids - scanning bonds ... - 2 = max bonds/atom - reading bonds ... - 8 bonds - 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 = 0.004 seconds - -set atom * mass 1.0 - 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 - 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} 1.0 0.815 -pair_coeff * * oxdna2/dh 0.1 1.0 0.815 - -# NVE ensemble -fix 1 all nve/dot -#fix 1 all nve/dotc/langevin ${T} ${T} 0.03 457145 angmom 10 -#fix 1 all nve/asphere -#fix 2 all langevin ${T} ${T} 0.03 457145 angmom 10 - -timestep 1e-5 - -#comm_style tiled -#fix 3 all balance 10000 1.1 rcb -comm_modify cutoff 2.5 - -#compute mol all chunk/atom molecule -#compute mychunk all vcm/chunk mol -#fix 4 all ave/time 10000 1 10000 c_mychunk[1] c_mychunk[2] c_mychunk[3] file vcm.txt mode vector - -#dump pos all xyz ${ofreq} traj.${number}.xyz - -#compute quat all property/atom quatw quati quatj quatk -#dump quat all custom ${ofreq} quat.${number}.txt id c_quat[1] c_quat[2] c_quat[3] c_quat[4] -#dump_modify quat sort id -#dump_modify quat format line "%d %13.6le %13.6le %13.6le %13.6le" - -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}.txt id x y z vx vy vz fx fy fz tqx tqy tqz -#dump_modify out sort id -#dump_modify out format line "%d %13.6le %13.6le %13.6le %13.6le %13.6le %13.6le %13.6le %13.6le %13.6le %13.6le %13.6le %13.6le" - -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 = 2.6274048 - ghost atom cutoff = 2.6274048 - binsize = 1.3137024, bins = 31 31 31 - 6 neighbor lists, perpetual/occasional/extra = 6 0 0 - (1) pair oxdna2/excv, perpetual - attributes: half, newton off - pair build: half/bin/newtoff - stencil: half/bin/3d/newtoff - bin: standard - (2) pair oxdna2/stk, perpetual, copy from (1) - attributes: half, newton off - pair build: copy - stencil: none - bin: none - (3) pair oxdna2/hbond, perpetual, copy from (1) - attributes: half, newton off - pair build: copy - stencil: none - bin: none - (4) pair oxdna2/xstk, perpetual, copy from (1) - attributes: half, newton off - pair build: copy - stencil: none - bin: none - (5) pair oxdna2/coaxstk, perpetual, copy from (1) - attributes: half, newton off - pair build: copy - stencil: none - bin: none - (6) pair oxdna2/dh, perpetual, copy from (1) - attributes: half, newton off - pair build: copy - stencil: none - bin: none -WARNING: Communication cutoff adjusted to 2.627404783947349 (../comm.cpp:690) -0 ekin = 0 | erot = 0 | epot = -14.6249037416652 | etot = -14.6249037416652 -Per MPI rank memory allocation (min/avg/max) = 7.903 | 7.96 | 8.018 Mbytes -Step Temp E_pair E_mol TotEng Press - 0 0 -1.4720158 0.009525411 -1.4624904 3.1370518e-06 -1000 ekin = 0.00366431201929595 | erot = 0.00193726360268106 | epot = -14.630505317301 | etot = -14.624903741679 -2000 ekin = 0.0144775076075461 | erot = 0.00770914672939826 | epot = -14.6470903960565 | etot = -14.6249037417196 -3000 ekin = 0.0319122186081537 | erot = 0.017197232864929 | epot = -14.6740131932573 | etot = -14.6249037417842 -4000 ekin = 0.055128304350968 | erot = 0.0302085305548261 | epot = -14.7102405767754 | etot = -14.6249037418696 -5000 ekin = 0.0830285165715777 | erot = 0.0464820547542036 | epot = -14.7544143132963 | etot = -14.6249037419705 -6000 ekin = 0.11433112154675 | erot = 0.0656980211282502 | epot = -14.8049328847556 | etot = -14.6249037420806 -7000 ekin = 0.14765386656188 | erot = 0.0874894888755877 | epot = -14.8600470976311 | etot = -14.6249037421936 -8000 ekin = 0.18160209956019 | erot = 0.111456095727761 | epot = -14.9179619375912 | etot = -14.6249037423032 -9000 ekin = 0.214852894725897 | erot = 0.137179311245239 | epot = -14.9769359483746 | etot = -14.6249037424035 -10000 ekin = 0.246227151956005 | erot = 0.164238435218469 | epot = -15.0353693296649 | etot = -14.6249037424904 -11000 ekin = 0.274743080419017 | erot = 0.192226420003323 | epot = -15.091873242983 | etot = -14.6249037425607 -12000 ekin = 0.299647141765663 | erot = 0.220764512146746 | epot = -15.1453153965252 | etot = -14.6249037426128 -13000 ekin = 0.320421918860927 | erot = 0.249514690530647 | epot = -15.1948403520386 | etot = -14.624903742647 -14000 ekin = 0.336773734884323 | erot = 0.278188933730603 | epot = -15.2398664112794 | etot = -14.6249037426645 -15000 ekin = 0.34860541376287 | erot = 0.306554508009539 | epot = -15.2800636644399 | etot = -14.6249037426675 -16000 ekin = 0.355980829097832 | erot = 0.334434770083873 | epot = -15.3153193418403 | etot = -14.6249037426586 -17000 ekin = 0.359087701059401 | erot = 0.361705441666651 | epot = -15.3456968853665 | etot = -14.6249037426405 -18000 ekin = 0.358203710992248 | erot = 0.388286889516457 | epot = -15.3713943431244 | etot = -14.6249037426157 -19000 ekin = 0.353668912555266 | erot = 0.414133518537258 | epot = -15.3927061736789 | etot = -14.6249037425864 -20000 ekin = 0.345865220775347 | erot = 0.439221805285588 | epot = -15.4099907686155 | etot = -14.6249037425546 -21000 ekin = 0.335201981146553 | erot = 0.463538642606666 | epot = -15.423644366275 | etot = -14.6249037425218 -22000 ekin = 0.322105588835009 | erot = 0.487071492273222 | epot = -15.4340808235974 | etot = -14.6249037424892 -23000 ekin = 0.307010918596293 | erot = 0.509801406229522 | epot = -15.4417160672835 | etot = -14.6249037424577 -24000 ekin = 0.290352786033317 | erot = 0.53169940050183 | epot = -15.4469559289633 | etot = -14.6249037424281 -25000 ekin = 0.272556500902201 | erot = 0.552726088759337 | epot = -15.4501863320625 | etot = -14.624903742401 -26000 ekin = 0.254027484079225 | erot = 0.572834017299149 | epot = -15.451765243755 | etot = -14.6249037423766 -27000 ekin = 0.235140665216512 | erot = 0.591971851501351 | epot = -15.4520162590732 | etot = -14.6249037423553 -28000 ekin = 0.216230835846381 | erot = 0.610089455964456 | epot = -15.4512240341482 | etot = -14.6249037423373 -29000 ekin = 0.197585285158732 | erot = 0.627142960082751 | epot = -15.4496319875638 | etot = -14.6249037423223 -30000 ekin = 0.179439940173485 | erot = 0.643099062793524 | epot = -15.4474427452772 | etot = -14.6249037423102 -31000 ekin = 0.161979935826275 | erot = 0.657938056392414 | epot = -15.4448217345188 | etot = -14.6249037423001 -32000 ekin = 0.145345108983154 | erot = 0.671655297434073 | epot = -15.4419041487088 | etot = -14.6249037422916 -33000 ekin = 0.129640400345301 | erot = 0.684261083518649 | epot = -15.4388052261477 | etot = -14.6249037422838 -34000 ekin = 0.114950474500096 | erot = 0.695779112936577 | epot = -15.4356333297123 | etot = -14.6249037422756 -35000 ekin = 0.101357103460395 | erot = 0.706243888527945 | epot = -15.4325047342545 | etot = -14.6249037422661 -36000 ekin = 0.0889576334571495 | erot = 0.715697403164658 | epot = -15.4295587788764 | etot = -14.6249037422546 -37000 ekin = 0.0778817390290869 | erot = 0.724185638635694 | epot = -15.4269711199052 | etot = -14.6249037422404 -38000 ekin = 0.0683037091548152 | erot = 0.731755309647459 | epot = -15.4249627610255 | etot = -14.6249037422232 -39000 ekin = 0.0604476327394574 | erot = 0.738451228922887 | epot = -15.4238026038658 | etot = -14.6249037422035 -40000 ekin = 0.0545835914676698 | erot = 0.744314557682062 | epot = -15.4238018913317 | etot = -14.624903742182 -41000 ekin = 0.0510142787133431 | erot = 0.749382063190686 | epot = -15.425300084064 | etot = -14.6249037421599 -42000 ekin = 0.0500531571157122 | erot = 0.753686350478873 | epot = -15.4286432497339 | etot = -14.6249037421393 -43000 ekin = 0.0519969858277791 | erot = 0.757256889238925 | epot = -15.4341576171884 | etot = -14.6249037421217 -44000 ekin = 0.0570968352183795 | erot = 0.760121540481331 | epot = -15.4421221178083 | etot = -14.6249037421086 -45000 ekin = 0.0655321553469052 | erot = 0.762308219230389 | epot = -15.4527441166787 | etot = -14.6249037421014 -46000 ekin = 0.077391880036667 | erot = 0.763846321567477 | epot = -15.4661419437046 | etot = -14.6249037421005 -47000 ekin = 0.0926650518886644 | erot = 0.764767599959881 | epot = -15.4823363939543 | etot = -14.6249037421058 -48000 ekin = 0.111241466890937 | erot = 0.765106283689481 | epot = -15.5012514926974 | etot = -14.624903742117 -49000 ekin = 0.132920935183018 | erot = 0.764898395951864 | epot = -15.5227230732682 | etot = -14.6249037421333 -50000 ekin = 0.157428432862217 | erot = 0.764180392178735 | epot = -15.5465125671948 | etot = -14.6249037421538 -51000 ekin = 0.184431879186323 | erot = 0.762987403181098 | epot = -15.572323024545 | etot = -14.6249037421776 -52000 ekin = 0.213559336999553 | erot = 0.761351471408863 | epot = -15.5998145506122 | etot = -14.6249037422038 -53000 ekin = 0.244412677541706 | erot = 0.759300175100794 | epot = -15.6286165948746 | etot = -14.6249037422321 -54000 ekin = 0.276574826726782 | erot = 0.756855909735936 | epot = -15.6583344787253 | etot = -14.6249037422625 -55000 ekin = 0.309607708697251 | erot = 0.754035838659022 | epot = -15.6885472896524 | etot = -14.6249037422961 -56000 ekin = 0.343038597242195 | erot = 0.750852192167276 | epot = -15.7187945317442 | etot = -14.6249037423347 -57000 ekin = 0.376334705011675 | erot = 0.747312289063632 | epot = -15.748550736456 | etot = -14.6249037423806 -58000 ekin = 0.408870193943514 | erot = 0.743417624903406 | epot = -15.7771915612831 | etot = -14.6249037424361 -59000 ekin = 0.439895666476151 | erot = 0.739161690570044 | epot = -15.8039610995489 | etot = -14.6249037425027 -60000 ekin = 0.468524372325882 | erot = 0.734526514748492 | epot = -15.8279546296535 | etot = -14.6249037425791 -61000 ekin = 0.493750804630977 | erot = 0.729479048549992 | epot = -15.8481335958426 | etot = -14.6249037426617 -62000 ekin = 0.514511417905742 | erot = 0.723968952962828 | epot = -15.8633841136118 | etot = -14.6249037427432 -63000 ekin = 0.529785687820863 | erot = 0.717929490923054 | epot = -15.8726189215585 | etot = -14.6249037428146 -64000 ekin = 0.538722043350041 | erot = 0.711282639869802 | epot = -15.8749084260858 | etot = -14.624903742866 -65000 ekin = 0.540763046401972 | erot = 0.703948378732391 | epot = -15.8696151680244 | etot = -14.62490374289 -66000 ekin = 0.535742115227036 | erot = 0.695856780686584 | epot = -15.8565026387959 | etot = -14.6249037428823 -67000 ekin = 0.523930969354304 | erot = 0.68696057843429 | epot = -15.8357952906313 | etot = -14.6249037428428 -68000 ekin = 0.506029704478312 | erot = 0.677245632039928 | epot = -15.8081790792934 | etot = -14.6249037427752 -69000 ekin = 0.483104826200259 | erot = 0.666737270644213 | epot = -15.7747458395309 | etot = -14.6249037426864 -70000 ekin = 0.456490218293525 | erot = 0.655501536742973 | epot = -15.7368954976211 | etot = -14.6249037425846 -71000 ekin = 0.427669918862827 | erot = 0.643641521525979 | epot = -15.696215182867 | etot = -14.6249037424782 -72000 ekin = 0.398160338931837 | erot = 0.631289876690699 | epot = -15.6543539579978 | etot = -14.6249037423753 -73000 ekin = 0.369405258277091 | erot = 0.618599034382457 | epot = -15.6129080349413 | etot = -14.6249037422818 -74000 ekin = 0.342691749042478 | erot = 0.605730669564096 | epot = -15.573326160809 | etot = -14.6249037422024 -75000 ekin = 0.319090526807116 | erot = 0.592845634905565 | epot = -15.5368399038526 | etot = -14.6249037421399 -76000 ekin = 0.299420611427649 | erot = 0.580095163563256 | epot = -15.5044195170865 | etot = -14.6249037420956 -77000 ekin = 0.284235504575202 | erot = 0.567613716752232 | epot = -15.476752963397 | etot = -14.6249037420696 -78000 ekin = 0.273826140866745 | erot = 0.555513536863883 | epot = -15.4542434197916 | etot = -14.624903742061 -79000 ekin = 0.268234635497765 | erot = 0.54388078034531 | epot = -15.437019157912 | etot = -14.6249037420689 -80000 ekin = 0.267272602906572 | erot = 0.532773036269537 | epot = -15.4249493812683 | etot = -14.6249037420922 -81000 ekin = 0.270538934182649 | erot = 0.522218059775401 | epot = -15.417660736088 | etot = -14.62490374213 -82000 ekin = 0.27743457435936 | erot = 0.512213638247992 | epot = -15.414551954789 | etot = -14.6249037421817 -83000 ekin = 0.287175732620383 | erot = 0.502728640569106 | epot = -15.4148081154356 | etot = -14.6249037422461 -84000 ekin = 0.298811175848726 | erot = 0.493705451301405 | epot = -15.4174203694714 | etot = -14.6249037423213 -85000 ekin = 0.311252369949757 | erot = 0.485064122067327 | epot = -15.4212202344208 | etot = -14.6249037424038 -86000 ekin = 0.323325626376074 | erot = 0.476708618160845 | epot = -15.4249379870248 | etot = -14.6249037424879 -87000 ekin = 0.33385179551888 | erot = 0.468535420697723 | epot = -15.4272909587828 | etot = -14.6249037425662 -88000 ekin = 0.341751109758587 | erot = 0.460444399763838 | epot = -15.427099252152 | etot = -14.6249037426296 -89000 ekin = 0.346159825920252 | erot = 0.452351304178841 | epot = -15.4234148727694 | etot = -14.6249037426704 -90000 ekin = 0.346534667470577 | erot = 0.444200535918418 | epot = -15.4156389460721 | etot = -14.6249037426831 -91000 ekin = 0.342715665476236 | erot = 0.435976333753466 | epot = -15.4035957418971 | etot = -14.6249037426674 -92000 ekin = 0.334922715851711 | erot = 0.427710377227768 | epot = -15.3875368357076 | etot = -14.6249037426281 -93000 ekin = 0.323677844434189 | erot = 0.419484336040122 | epot = -15.368065923049 | etot = -14.6249037425747 -94000 ekin = 0.309669782921695 | erot = 0.411426964072737 | epot = -15.3460004895125 | etot = -14.624903742518 -95000 ekin = 0.293600014862055 | erot = 0.403706586473305 | epot = -15.3222103438027 | etot = -14.6249037424673 -96000 ekin = 0.2760582848845 | erot = 0.396520701306389 | epot = -15.297482728618 | etot = -14.6249037424272 -97000 ekin = 0.257464456296026 | erot = 0.390084510983188 | epot = -15.2724527096758 | etot = -14.6249037423966 -98000 ekin = 0.238086767083294 | erot = 0.384619533405776 | epot = -15.24761004286 | etot = -14.6249037423709 -99000 ekin = 0.218116994126189 | erot = 0.380342481668315 | epot = -15.2233632181387 | etot = -14.6249037423442 -100000 ekin = 0.197764845956813 | erot = 0.377453964065525 | epot = -15.2001225523343 | etot = -14.6249037423119 -101000 ekin = 0.177333852671588 | erot = 0.37612662169739 | epot = -15.1783642166417 | etot = -14.6249037422727 -102000 ekin = 0.157255732179676 | erot = 0.376493003927858 | epot = -15.1586524783359 | etot = -14.6249037422283 -103000 ekin = 0.138079925449103 | erot = 0.378634329970109 | epot = -15.1416179976017 | etot = -14.6249037421825 -104000 ekin = 0.120430234291513 | erot = 0.38257179133531 | epot = -15.1279057677667 | etot = -14.6249037421398 -105000 ekin = 0.104946722393699 | erot = 0.388261944551355 | epot = -15.1181124090491 | etot = -14.6249037421041 -106000 ekin = 0.0922291289495077 | erot = 0.395597086392455 | epot = -15.1127299574201 | etot = -14.6249037420781 -107000 ekin = 0.0827918191992449 | erot = 0.404410579138415 | epot = -15.112106140401 | etot = -14.6249037420633 -108000 ekin = 0.0770336430610872 | erot = 0.414486225075909 | epot = -15.116423610197 | etot = -14.62490374206 -109000 ekin = 0.0752213121179505 | erot = 0.425570202879076 | epot = -15.1256952570645 | etot = -14.6249037420675 -110000 ekin = 0.077482636424855 | erot = 0.437383858086389 | epot = -15.1397702365963 | etot = -14.6249037420851 -111000 ekin = 0.0838057148049012 | erot = 0.449635759435866 | epot = -15.1583452163524 | etot = -14.6249037421117 -112000 ekin = 0.094041131771038 | erot = 0.462031808376727 | epot = -15.1809766822944 | etot = -14.6249037421466 -113000 ekin = 0.107905661684216 | erot = 0.47428271886895 | epot = -15.2070921227424 | etot = -14.6249037421893 -114000 ekin = 0.124987416380585 | erot = 0.486108767327206 | epot = -15.2359999259466 | etot = -14.6249037422388 -115000 ekin = 0.144753474421712 | erot = 0.497242253022929 | epot = -15.2668994697393 | etot = -14.6249037422947 -116000 ekin = 0.166561593123338 | erot = 0.507428522970937 | epot = -15.2988938584497 | etot = -14.6249037423555 -117000 ekin = 0.189677527330919 | erot = 0.516426638198595 | epot = -15.3310079079494 | etot = -14.6249037424199 -118000 ekin = 0.213298790897393 | erot = 0.524010758771299 | epot = -15.3622132921543 | etot = -14.6249037424856 -119000 ekin = 0.236584576961686 | erot = 0.529973112381402 | epot = -15.3914614318934 | etot = -14.6249037425503 -120000 ekin = 0.258690301858407 | erot = 0.5341290349257 | epot = -15.4177230793954 | etot = -14.6249037426112 -121000 ekin = 0.278804196533067 | erot = 0.536324108799723 | epot = -15.4400320479983 | etot = -14.6249037426655 -122000 ekin = 0.296182819519644 | erot = 0.536442962870851 | epot = -15.4575295251011 | etot = -14.6249037427106 -123000 ekin = 0.310182446406097 | erot = 0.534418915104283 | epot = -15.4695051042545 | etot = -14.6249037427441 -124000 ekin = 0.320283972930319 | erot = 0.530243389137748 | epot = -15.4754311048325 | etot = -14.6249037427644 -125000 ekin = 0.326110081462518 | erot = 0.523973945236228 | epot = -15.4749877694694 | etot = -14.6249037427707 -126000 ekin = 0.32743470961478 | erot = 0.515739832556742 | epot = -15.468078284934 | etot = -14.6249037427624 -127000 ekin = 0.324186046690464 | erot = 0.505744172152755 | epot = -15.4548339615831 | etot = -14.6249037427398 -128000 ekin = 0.316445106704291 | erot = 0.494262185784872 | epot = -15.4356110351926 | etot = -14.6249037427034 -129000 ekin = 0.304442167762781 | erot = 0.481635256753188 | epot = -15.4109811671702 | etot = -14.6249037426542 -130000 ekin = 0.288552887156539 | erot = 0.468261006625544 | epot = -15.3817176363753 | etot = -14.6249037425933 -131000 ekin = 0.269294696165401 | erot = 0.45457995559872 | epot = -15.3487783942861 | etot = -14.6249037425219 -132000 ekin = 0.247322351785784 | erot = 0.441059661322916 | epot = -15.3132857555505 | etot = -14.6249037424418 -133000 ekin = 0.223419723871666 | erot = 0.428177456066593 | epot = -15.2765009222933 | etot = -14.624903742355 -134000 ekin = 0.19848366631698 | erot = 0.416402982921093 | epot = -15.2397903915024 | etot = -14.6249037422643 -135000 ekin = 0.173495806295277 | erot = 0.406181641002432 | epot = -15.2045811894713 | etot = -14.6249037421736 -136000 ekin = 0.149479658252776 | erot = 0.397919790440761 | epot = -15.1723031907806 | etot = -14.6249037420871 -137000 ekin = 0.127443476996694 | erot = 0.391972186713497 | epot = -15.1443194057198 | etot = -14.6249037420096 -138000 ekin = 0.108312970525399 | erot = 0.38863170083623 | epot = -15.121848413308 | etot = -14.6249037419464 -139000 ekin = 0.0928612988417865 | erot = 0.388121053034643 | epot = -15.1058860937781 | etot = -14.6249037419017 -140000 ekin = 0.0816456573909381 | erot = 0.390586148388578 | epot = -15.0971355476584 | etot = -14.6249037418789 -141000 ekin = 0.074959634987115 | erot = 0.396090706683305 | epot = -15.0959540835502 | etot = -14.6249037418797 -142000 ekin = 0.072808553768854 | erot = 0.404612196534598 | epot = -15.1023244922079 | etot = -14.6249037419044 -143000 ekin = 0.0749117535381453 | erot = 0.416039504837322 | epot = -15.1158550003263 | etot = -14.6249037419509 -144000 ekin = 0.0807320498018154 | erot = 0.430173136684429 | epot = -15.1358089285018 | etot = -14.6249037420155 -145000 ekin = 0.0895290255830711 | erot = 0.44672889393778 | epot = -15.1611616616143 | etot = -14.6249037420935 -146000 ekin = 0.100429851262872 | erot = 0.46534582966922 | epot = -15.1906794231108 | etot = -14.6249037421787 -147000 ekin = 0.112509264558272 | erot = 0.485598823527704 | epot = -15.2230118303508 | etot = -14.6249037422648 -148000 ekin = 0.124869425792311 | erot = 0.507015469189125 | epot = -15.2567886373275 | etot = -14.6249037423461 -149000 ekin = 0.136710750658201 | erot = 0.529096273050756 | epot = -15.2907107661264 | etot = -14.6249037424174 -150000 ekin = 0.147386480805994 | erot = 0.551336607351909 | epot = -15.3236268306334 | etot = -14.6249037424755 -151000 ekin = 0.156436378415923 | erot = 0.573248570644847 | epot = -15.3545886915789 | etot = -14.6249037425181 -152000 ekin = 0.163597998371616 | erot = 0.594380933602504 | epot = -15.3828826745191 | etot = -14.624903742545 -153000 ekin = 0.168796920199645 | erot = 0.614335653334077 | epot = -15.4080363160909 | etot = -14.6249037425571 -154000 ekin = 0.172119667637843 | erot = 0.632779929091333 | epot = -15.4298033392859 | etot = -14.6249037425567 -155000 ekin = 0.173774602206439 | erot = 0.649453329864798 | epot = -15.4481316746178 | etot = -14.6249037425466 -156000 ekin = 0.174046854480218 | erot = 0.664170048550206 | epot = -15.4631206455604 | etot = -14.62490374253 -157000 ekin = 0.17325345101635 | erot = 0.67681676270221 | epot = -15.4749739562283 | etot = -14.6249037425097 -158000 ekin = 0.171704281293994 | erot = 0.687346881267705 | epot = -15.48395490505 | etot = -14.6249037424883 -159000 ekin = 0.169673443700116 | erot = 0.695772131172833 | epot = -15.4903493173403 | etot = -14.6249037424673 -160000 ekin = 0.167383826014799 | erot = 0.702152502586226 | epot = -15.4944400710487 | etot = -14.6249037424476 -161000 ekin = 0.165005624031947 | erot = 0.706585545944227 | epot = -15.4964949124054 | etot = -14.6249037424292 -162000 ekin = 0.162667154471987 | erot = 0.7091959147906 | epot = -15.4967668116741 | etot = -14.6249037424115 -163000 ekin = 0.160474189581708 | erot = 0.710125892129571 | epot = -15.4955038241048 | etot = -14.6249037423935 -164000 ekin = 0.158532578972808 | erot = 0.709527441008673 | epot = -15.4929637623557 | etot = -14.6249037423742 -165000 ekin = 0.156968465370873 | erot = 0.707556101120943 | epot = -15.4894283088449 | etot = -14.624903742353 -166000 ekin = 0.155941053191322 | erot = 0.704366832057858 | epot = -15.4852116275794 | etot = -14.6249037423302 -167000 ekin = 0.15564449680974 | erot = 0.700111698658167 | epot = -15.4806599377741 | etot = -14.6249037423062 -168000 ekin = 0.156297672988367 | erot = 0.694939119112688 | epot = -15.4761405343834 | etot = -14.6249037422823 -169000 ekin = 0.158122923325633 | erot = 0.688994262093866 | epot = -15.4720209276801 | etot = -14.6249037422606 -170000 ekin = 0.161316852937839 | erot = 0.682420091513715 | epot = -15.4686406866943 | etot = -14.6249037422428 -171000 ekin = 0.166017619146964 | erot = 0.675358520304694 | epot = -15.4662798816826 | etot = -14.6249037422309 -172000 ekin = 0.172273671159624 | erot = 0.667951149520755 | epot = -15.465128562907 | etot = -14.6249037422266 -173000 ekin = 0.180018623556126 | erot = 0.660339136127817 | epot = -15.465261501915 | etot = -14.624903742231 -174000 ekin = 0.189056055744959 | erot = 0.652661851831919 | epot = -15.4666216498214 | etot = -14.6249037422446 -175000 ekin = 0.199056860650102 | erot = 0.645054167286212 | epot = -15.4690147702031 | etot = -14.6249037422668 -176000 ekin = 0.209570701317496 | erot = 0.637642422787083 | epot = -15.4721168664013 | etot = -14.6249037422968 -177000 ekin = 0.220052442974529 | erot = 0.630539423737744 | epot = -15.4754956090444 | etot = -14.6249037423321 -178000 ekin = 0.229904071991068 | erot = 0.623839102439468 | epot = -15.4786469168001 | etot = -14.6249037423696 -179000 ekin = 0.238532114427838 | erot = 0.617611757778078 | epot = -15.4810476146109 | etot = -14.624903742405 -180000 ekin = 0.245419064060145 | erot = 0.611900922402911 | epot = -15.4822237288958 | etot = -14.6249037424328 -181000 ekin = 0.250203926055637 | erot = 0.606722796615544 | epot = -15.4818304651187 | etot = -14.6249037424476 -182000 ekin = 0.252761402919458 | erot = 0.602068750132192 | epot = -15.4797338954962 | etot = -14.6249037424445 -183000 ekin = 0.253262634973987 | erot = 0.597910660168958 | epot = -15.4760770375644 | etot = -14.6249037424214 -184000 ekin = 0.252195762131854 | erot = 0.594208023727366 | epot = -15.4713075282391 | etot = -14.6249037423799 -185000 ekin = 0.250326113306337 | erot = 0.590915179672999 | epot = -15.4661450353057 | etot = -14.6249037423263 -186000 ekin = 0.248586758541696 | erot = 0.587986907734991 | epot = -15.4614774085483 | etot = -14.6249037422716 -187000 ekin = 0.247909630265907 | erot = 0.585381224304124 | epot = -15.4581945967987 | etot = -14.6249037422287 -188000 ekin = 0.249029052394555 | erot = 0.583059148734203 | epot = -15.4569919433383 | etot = -14.6249037422095 -189000 ekin = 0.25230380318116 | erot = 0.580982165410166 | epot = -15.4581897108133 | etot = -14.624903742222 -190000 ekin = 0.257603763515512 | erot = 0.579108718145525 | epot = -15.4616162239286 | etot = -14.6249037422675 -191000 ekin = 0.264292655598072 | erot = 0.577391223759195 | epot = -15.4665876216979 | etot = -14.6249037423406 -192000 ekin = 0.271315385056371 | erot = 0.575774831089445 | epot = -15.4719939585754 | etot = -14.6249037424296 -193000 ekin = 0.277374539132726 | erot = 0.574198584868558 | epot = -15.4764768665205 | etot = -14.6249037425192 -194000 ekin = 0.281161076019698 | erot = 0.572598913484966 | epot = -15.4786637320983 | etot = -14.6249037425936 -195000 ekin = 0.28159263734721 | erot = 0.570914645865857 | epot = -15.4774110258526 | etot = -14.6249037426396 -196000 ekin = 0.278011867235767 | erot = 0.569092314484949 | epot = -15.4720079243697 | etot = -14.624903742649 -197000 ekin = 0.270307527593016 | erot = 0.567090473640134 | epot = -15.4623017438535 | etot = -14.6249037426204 -198000 ekin = 0.258940359976181 | erot = 0.564882125458909 | epot = -15.4487262279932 | etot = -14.6249037425581 -199000 ekin = 0.244877476699608 | erot = 0.562454912721969 | epot = -15.432236131893 | etot = -14.6249037424714 -200000 ekin = 0.229456931019031 | erot = 0.559809284042109 | epot = -15.4141699574328 | etot = -14.6249037423717 -201000 ekin = 0.214214012279214 | erot = 0.556955381706857 | epot = -15.396073136257 | etot = -14.6249037422709 -202000 ekin = 0.200701376135343 | erot = 0.553909032488835 | epot = -15.3795141508038 | etot = -14.6249037421796 -203000 ekin = 0.190329688711031 | erot = 0.550687503827458 | epot = -15.3659209346438 | etot = -14.6249037421053 -204000 ekin = 0.184246973275431 | erot = 0.547306655839924 | epot = -15.3564573711681 | etot = -14.6249037420528 -205000 ekin = 0.183262973705765 | erot = 0.543779043729182 | epot = -15.3519457594592 | etot = -14.6249037420242 -206000 ekin = 0.187816949073314 | erot = 0.5401134327365 | epot = -15.3528341238289 | etot = -14.6249037420191 -207000 ekin = 0.197980929490155 | erot = 0.536315658388532 | epot = -15.3592003299141 | etot = -14.6249037420354 -208000 ekin = 0.213487612676859 | erot = 0.532390498207104 | epot = -15.3707818529543 | etot = -14.6249037420704 -209000 ekin = 0.23377236271188 | erot = 0.528344018724915 | epot = -15.3870201235577 | etot = -14.6249037421209 -210000 ekin = 0.258021408691598 | erot = 0.524185756556645 | epot = -15.4071109074321 | etot = -14.6249037421838 -211000 ekin = 0.285222208429149 | erot = 0.519930104708152 | epot = -15.4300560553932 | etot = -14.6249037422559 -212000 ekin = 0.314215813604078 | erot = 0.515596398128299 | epot = -15.454715954066 | etot = -14.6249037423336 -213000 ekin = 0.343753634042999 | erot = 0.511207450608694 | epot = -15.4798648270648 | etot = -14.6249037424131 -214000 ekin = 0.372561594269383 | erot = 0.506786560075164 | epot = -15.5042518968341 | etot = -14.6249037424896 -215000 ekin = 0.399412456461965 | erot = 0.502353347158559 | epot = -15.5266695461789 | etot = -14.6249037425584 -216000 ekin = 0.423202666202795 | erot = 0.497919155943979 | epot = -15.5460255647614 | etot = -14.6249037426146 -217000 ekin = 0.443025226539309 | erot = 0.49348301367888 | epot = -15.561411982873 | etot = -14.6249037426548 -218000 ekin = 0.458227302378268 | erot = 0.48902929485633 | epot = -15.5721603399116 | etot = -14.624903742677 -219000 ekin = 0.468443019183614 | erot = 0.484528125251351 | epot = -15.5778748871154 | etot = -14.6249037426804 -220000 ekin = 0.473598483116428 | erot = 0.479939108990727 | epot = -15.5784413347736 | etot = -14.6249037426664 -221000 ekin = 0.473894168318623 | erot = 0.475218183432471 | epot = -15.5740160943877 | etot = -14.6249037426366 -222000 ekin = 0.469774014049581 | erot = 0.470326483973439 | epot = -15.5650042406161 | etot = -14.6249037425931 -223000 ekin = 0.461887320397625 | erot = 0.465239349169327 | epot = -15.5520304121052 | etot = -14.6249037425383 -224000 ekin = 0.451041336422898 | erot = 0.459953336121568 | epot = -15.5358984150205 | etot = -14.6249037424761 -225000 ekin = 0.438137198423164 | erot = 0.454489515561359 | epot = -15.5175304563962 | etot = -14.6249037424117 -226000 ekin = 0.424086332826599 | erot = 0.448892294163476 | epot = -15.4978823693417 | etot = -14.6249037423516 -227000 ekin = 0.409717105195494 | erot = 0.443224250669919 | epot = -15.4778450981669 | etot = -14.6249037423015 -228000 ekin = 0.395692916861841 | erot = 0.437558473222699 | epot = -15.4581551323495 | etot = -14.624903742265 -229000 ekin = 0.382463318564939 | erot = 0.431970318931165 | epot = -15.4393373797388 | etot = -14.6249037422427 -230000 ekin = 0.37025811673091 | erot = 0.426530223272703 | epot = -15.4216920822363 | etot = -14.6249037422326 -231000 ekin = 0.359118625017792 | erot = 0.42129844029256 | epot = -15.4053208075418 | etot = -14.6249037422314 -232000 ekin = 0.348949729121723 | erot = 0.416321816462675 | epot = -15.3901752878201 | etot = -14.6249037422357 -233000 ekin = 0.339575284188518 | erot = 0.411632247273729 | epot = -15.3761112737048 | etot = -14.6249037422426 -234000 ekin = 0.330784909163637 | erot = 0.407246384303507 | epot = -15.3629350357173 | etot = -14.6249037422502 -235000 ekin = 0.322367248495492 | erot = 0.403166248673538 | epot = -15.3504372394263 | etot = -14.6249037422572 -236000 ekin = 0.314129851889848 | erot = 0.399380677843492 | epot = -15.3384142719969 | etot = -14.6249037422636 -237000 ekin = 0.305908300165184 | erot = 0.395867600047875 | epot = -15.3266796424821 | etot = -14.624903742269 -238000 ekin = 0.297568064658136 | erot = 0.392597157204584 | epot = -15.3150689641364 | etot = -14.6249037422737 -239000 ekin = 0.289002756415172 | erot = 0.389535643317114 | epot = -15.3034421420096 | etot = -14.6249037422774 -240000 ekin = 0.280132201614914 | erot = 0.386650129641556 | epot = -15.2916860735363 | etot = -14.6249037422798 -241000 ekin = 0.270903172980511 | erot = 0.383913574227165 | epot = -15.2797204894881 | etot = -14.6249037422804 -242000 ekin = 0.261294311102232 | erot = 0.381310019034049 | epot = -15.2675080724143 | etot = -14.6249037422781 -243000 ekin = 0.251325265434219 | erot = 0.378839435319532 | epot = -15.2550684430252 | etot = -14.6249037422715 -244000 ekin = 0.241068460184283 | erot = 0.376521662813082 | epot = -15.2424938652572 | etot = -14.6249037422598 -245000 ekin = 0.230660579660644 | erot = 0.374398842117291 | epot = -15.2299631640205 | etot = -14.6249037422425 -246000 ekin = 0.220310176855083 | erot = 0.372535772164452 | epot = -15.217749691239 | etot = -14.6249037422195 -247000 ekin = 0.210297920408214 | erot = 0.371017759432552 | epot = -15.2062194220322 | etot = -14.6249037421914 -248000 ekin = 0.200966973970082 | erot = 0.36994577990608 | epot = -15.1958164960362 | etot = -14.6249037421601 -249000 ekin = 0.192702752056133 | erot = 0.369429135338683 | epot = -15.1870356295227 | etot = -14.6249037421279 -250000 ekin = 0.185903524092239 | erot = 0.369576201101353 | epot = -15.1803834672915 | etot = -14.6249037420979 -251000 ekin = 0.180945546219151 | erot = 0.370484246994623 | epot = -15.1763335352865 | etot = -14.6249037420727 -252000 ekin = 0.178147956309189 | erot = 0.372229589272153 | epot = -15.1752812876364 | etot = -14.624903742055 -253000 ekin = 0.177743031464987 | erot = 0.374859230992971 | epot = -15.1775060045044 | etot = -14.6249037420464 -254000 ekin = 0.179856300054645 | erot = 0.378385037101156 | epot = -15.1831450792033 | etot = -14.6249037420475 -255000 ekin = 0.184498455786156 | erot = 0.382781080046288 | epot = -15.1921832778908 | etot = -14.6249037420584 -256000 ekin = 0.191568141872831 | erot = 0.387983970946124 | epot = -15.2044558548971 | etot = -14.6249037420782 -257000 ekin = 0.20086208487434 | erot = 0.39389562099376 | epot = -15.2196614479739 | etot = -14.6249037421058 -258000 ekin = 0.212087875566807 | erot = 0.400387498987271 | epot = -15.2373791166947 | etot = -14.6249037421406 -259000 ekin = 0.224875306192123 | erot = 0.407305396776656 | epot = -15.2570844451507 | etot = -14.6249037421819 -260000 ekin = 0.238784314763303 | erot = 0.414473950040634 | epot = -15.2781620070332 | etot = -14.6249037422292 -261000 ekin = 0.253310397642086 | erot = 0.421700596682803 | epot = -15.2999147366071 | etot = -14.6249037422822 -262000 ekin = 0.26789075041242 | erot = 0.428779149458854 | epot = -15.3215736422117 | etot = -14.6249037423404 -263000 ekin = 0.281915541778016 | erot = 0.435493571930236 | epot = -15.3423128561104 | etot = -14.6249037424021 -264000 ekin = 0.294748319449364 | erot = 0.441622773940569 | epot = -15.3612748358549 | etot = -14.624903742465 -265000 ekin = 0.305757851305535 | erot = 0.446947232466421 | epot = -15.3776088262975 | etot = -14.6249037425255 -266000 ekin = 0.314361275702592 | erot = 0.451257984268131 | epot = -15.3905230025502 | etot = -14.6249037425794 -267000 ekin = 0.320075758814341 | erot = 0.454368036195608 | epot = -15.399347537632 | etot = -14.624903742622 -268000 ekin = 0.322573111286139 | erot = 0.456125517717021 | epot = -15.4036023716517 | etot = -14.6249037426486 -269000 ekin = 0.321728949457285 | erot = 0.456427019950081 | epot = -15.4030597120627 | etot = -14.6249037426554 -270000 ekin = 0.317655198203759 | erot = 0.455228696070215 | epot = -15.397787636915 | etot = -14.624903742641 -271000 ekin = 0.310703151367757 | erot = 0.452552178356157 | epot = -15.3881590723317 | etot = -14.6249037426077 -272000 ekin = 0.3014262335366 | erot = 0.448482664562447 | epot = -15.37481264066 | etot = -14.624903742561 -273000 ekin = 0.290499502093233 | erot = 0.443158007811504 | epot = -15.3585612524143 | etot = -14.6249037425096 -274000 ekin = 0.278606962225926 | erot = 0.436750209658098 | epot = -15.3402609143472 | etot = -14.6249037424632 -275000 ekin = 0.266323480340475 | erot = 0.429443553159133 | epot = -15.320670775929 | etot = -14.6249037424294 -276000 ekin = 0.254026977157675 | erot = 0.421415402005373 | epot = -15.3003461215741 | etot = -14.6249037424111 -277000 ekin = 0.241871064453077 | erot = 0.412825312322701 | epot = -15.2796001191813 | etot = -14.6249037424055 -278000 ekin = 0.229828041579266 | erot = 0.403815416630584 | epot = -15.2585472006154 | etot = -14.6249037424055 -279000 ekin = 0.217786141145793 | erot = 0.394521119097645 | epot = -15.2372110026455 | etot = -14.6249037424021 -280000 ekin = 0.205666064593437 | erot = 0.385087703032635 | epot = -15.2156575100138 | etot = -14.6249037423877 -281000 ekin = 0.193518604274061 | erot = 0.375686870763365 | epot = -15.1941092173957 | etot = -14.6249037423582 -282000 ekin = 0.18157672074763 | erot = 0.366527860022155 | epot = -15.1730083230837 | etot = -14.624903742314 -283000 ekin = 0.170254050626075 | erot = 0.357859944224688 | epot = -15.1530177371095 | etot = -14.6249037422587 -284000 ekin = 0.160098631070491 | erot = 0.349965713706295 | epot = -15.1349680869751 | etot = -14.6249037421983 -285000 ekin = 0.151720356670846 | erot = 0.34314662552044 | epot = -15.1197707243306 | etot = -14.6249037421394 -286000 ekin = 0.145712559183964 | erot = 0.337703485421193 | epot = -15.1083197866929 | etot = -14.6249037420878 -287000 ekin = 0.142584250545026 | erot = 0.333914836093095 | epot = -15.1014028286861 | etot = -14.624903742048 -288000 ekin = 0.1427129413407 | erot = 0.33201595204283 | epot = -15.0996326354059 | etot = -14.6249037420224 -289000 ekin = 0.146320998448507 | erot = 0.332180585090171 | epot = -15.1034053255506 | etot = -14.6249037420119 -290000 ekin = 0.153472816921105 | erot = 0.334506983379138 | epot = -15.1128835423165 | etot = -14.6249037420163 -291000 ekin = 0.164086465662505 | erot = 0.339009144348392 | epot = -15.1279993520451 | etot = -14.6249037420342 -292000 ekin = 0.177952173600193 | erot = 0.345613807734964 | epot = -15.1484697233995 | etot = -14.6249037420643 -293000 ekin = 0.194750859968512 | erot = 0.354163344443286 | epot = -15.1738179465169 | etot = -14.6249037421051 -294000 ekin = 0.214068309158811 | erot = 0.364424408222176 | epot = -15.2033964595362 | etot = -14.6249037421552 -295000 ekin = 0.235403710402673 | erot = 0.376101928511166 | epot = -15.2364093811272 | etot = -14.6249037422133 -296000 ekin = 0.258174229752594 | erot = 0.388857685536638 | epot = -15.2719356575669 | etot = -14.6249037422777 -297000 ekin = 0.28171936013486 | erot = 0.402332315571688 | epot = -15.308955418053 | etot = -14.6249037423465 -298000 ekin = 0.30530968452295 | erot = 0.416169191335505 | epot = -15.3463826182751 | etot = -14.6249037424166 -299000 ekin = 0.328164426016042 | erot = 0.430038291827055 | epot = -15.3831064603285 | etot = -14.6249037424854 -300000 ekin = 0.349480947254597 | erot = 0.443657997414049 | epot = -15.4180426872175 | etot = -14.6249037425489 -301000 ekin = 0.368477349758915 | erot = 0.456812763608253 | epot = -15.4501938559697 | etot = -14.6249037426025 -302000 ekin = 0.384446573101029 | erot = 0.469364841860584 | epot = -15.478715157604 | etot = -14.6249037426423 -303000 ekin = 0.396817065634643 | erot = 0.481258609604428 | epot = -15.5029794179037 | etot = -14.6249037426647 -304000 ekin = 0.405211709647263 | erot = 0.492516637287232 | epot = -15.5226320896016 | etot = -14.6249037426671 -305000 ekin = 0.409494186866275 | erot = 0.503227368869637 | epot = -15.5376252983854 | etot = -14.6249037426495 -306000 ekin = 0.409791521883174 | erot = 0.513525227982492 | epot = -15.5482204924795 | etot = -14.6249037426138 -307000 ekin = 0.406484029568133 | erot = 0.523565033268022 | epot = -15.554952805401 | etot = -14.6249037425649 -308000 ekin = 0.400159443094258 | erot = 0.533493670193094 | epot = -15.5585568557967 | etot = -14.6249037425093 -309000 ekin = 0.391535685674106 | erot = 0.543422788904079 | epot = -15.5598622170332 | etot = -14.624903742455 -310000 ekin = 0.381364662750139 | erot = 0.553406603763137 | epot = -15.5596750089224 | etot = -14.6249037424091 -311000 ekin = 0.370335174701307 | erot = 0.563428434508751 | epot = -15.5586673515872 | etot = -14.6249037423771 -312000 ekin = 0.358994462074446 | erot = 0.573398378860501 | epot = -15.5572965832962 | etot = -14.6249037423613 -313000 ekin = 0.347704062022306 | erot = 0.583162598674582 | epot = -15.5557704030575 | etot = -14.6249037423606 -314000 ekin = 0.336637402906986 | erot = 0.592522528333631 | epot = -15.5540636736117 | etot = -14.624903742371 -315000 ekin = 0.325816357219225 | erot = 0.601260411440956 | epot = -15.5519805110472 | etot = -14.624903742387 -316000 ekin = 0.315175012816655 | erot = 0.609166451967456 | epot = -15.5492452071862 | etot = -14.6249037424021 -317000 ekin = 0.304633856553691 | erot = 0.616062831071924 | epot = -15.5456004300362 | etot = -14.6249037424106 -318000 ekin = 0.294167456686513 | erot = 0.62182086663663 | epot = -15.5408920657322 | etot = -14.624903742409 -319000 ekin = 0.283852816310304 | erot = 0.626369338623922 | epot = -15.5351258973303 | etot = -14.624903742396 -320000 ekin = 0.273891844373217 | erot = 0.629693948583815 | epot = -15.5284895353292 | etot = -14.6249037423721 -321000 ekin = 0.264607615830326 | erot = 0.631829520444979 | epot = -15.5213408786153 | etot = -14.62490374234 -322000 ekin = 0.256418665980307 | erot = 0.632847556381831 | epot = -15.5141699646654 | etot = -14.6249037423032 -323000 ekin = 0.249797892887523 | erot = 0.632842055921361 | epot = -15.5075436910745 | etot = -14.6249037422657 -324000 ekin = 0.245223011939351 | erot = 0.631916211662891 | epot = -15.5020429658331 | etot = -14.6249037422309 -325000 ekin = 0.243124676660684 | erot = 0.630171930979688 | epot = -15.4982003498434 | etot = -14.624903742203 -326000 ekin = 0.243837159968099 | erot = 0.627703310196172 | epot = -15.4964442123488 | etot = -14.6249037421845 -327000 ekin = 0.247555458534595 | erot = 0.624594349329669 | epot = -15.4970535500421 | etot = -14.6249037421778 -328000 ekin = 0.254302069317299 | erot = 0.620920422826771 | epot = -15.5001262343279 | etot = -14.6249037421838 -329000 ekin = 0.263906382978619 | erot = 0.616752378549859 | epot = -15.5055625037313 | etot = -14.6249037422028 -330000 ekin = 0.275999298196813 | erot = 0.612161709808654 | epot = -15.5130647502395 | etot = -14.624903742234 -331000 ekin = 0.290024872454789 | erot = 0.607225138478484 | epot = -15.5221537532086 | etot = -14.6249037422753 -332000 ekin = 0.305269328205604 | erot = 0.602027230533244 | epot = -15.5322003010627 | etot = -14.6249037423238 -333000 ekin = 0.320905611375339 | erot = 0.596660303338559 | epot = -15.5424696570899 | etot = -14.624903742376 -334000 ekin = 0.33604943896321 | erot = 0.591221710457376 | epot = -15.5521748918485 | etot = -14.6249037424279 -335000 ekin = 0.349821102707738 | erot = 0.585809355783106 | epot = -15.5605342009668 | etot = -14.624903742476 -336000 ekin = 0.361406827299164 | erot = 0.580516763971287 | epot = -15.5668273337868 | etot = -14.6249037425163 -337000 ekin = 0.370114335989308 | erot = 0.575429096256479 | epot = -15.5704471747923 | etot = -14.6249037425465 -338000 ekin = 0.375418963131897 | erot = 0.570621177508977 | epot = -15.5709438832049 | etot = -14.624903742564 -339000 ekin = 0.37699830668418 | erot = 0.566157982091382 | epot = -15.568060031343 | etot = -14.6249037425674 -340000 ekin = 0.374754278532065 | erot = 0.562097189039008 | epot = -15.5617552101272 | etot = -14.6249037425561 -341000 ekin = 0.368821588409643 | erot = 0.558493134368575 | epot = -15.5522184653083 | etot = -14.62490374253 -342000 ekin = 0.359561251230613 | erot = 0.555400700218343 | epot = -15.5398656939398 | etot = -14.6249037424909 -343000 ekin = 0.34753785325451 | erot = 0.55287778591816 | epot = -15.5253193816136 | etot = -14.6249037424409 -344000 ekin = 0.33348037496383 | erot = 0.55098526840084 | epot = -15.5093693857485 | etot = -14.6249037423838 -345000 ekin = 0.318228359784329 | erot = 0.549783918348214 | epot = -15.4929160204567 | etot = -14.6249037423241 -346000 ekin = 0.302667555547452 | erot = 0.54932843011035 | epot = -15.4768997279244 | etot = -14.6249037422666 -347000 ekin = 0.287661057443402 | erot = 0.549659363310377 | epot = -15.4622241629697 | etot = -14.6249037422159 -348000 ekin = 0.273982878354199 | erot = 0.550794243902694 | epot = -15.4496808644332 | etot = -14.6249037421763 -349000 ekin = 0.262260631617831 | erot = 0.552719272009444 | epot = -15.4398836457781 | etot = -14.6249037421509 -350000 ekin = 0.252932884528162 | erot = 0.555383042233064 | epot = -15.4332196689026 | etot = -14.6249037421414 -351000 ekin = 0.246225113234554 | erot = 0.558693418765032 | epot = -15.4298222741477 | etot = -14.6249037421482 -352000 ekin = 0.242146418558272 | erot = 0.56251834442516 | epot = -15.4295685051533 | etot = -14.6249037421699 -353000 ekin = 0.240507191582667 | erot = 0.566690733134521 | epot = -15.4321016669209 | etot = -14.6249037422037 -354000 ekin = 0.240955911174045 | erot = 0.571016874086999 | epot = -15.436876527507 | etot = -14.6249037422459 -355000 ekin = 0.243030568944153 | erot = 0.575286990707781 | epot = -15.4432213019441 | etot = -14.6249037422922 -356000 ekin = 0.246218336341581 | erot = 0.579286102670368 | epot = -15.4504081813502 | etot = -14.6249037423382 -357000 ekin = 0.250015504867143 | erot = 0.582803084083675 | epot = -15.4577223313313 | etot = -14.6249037423804 -358000 ekin = 0.253980003728345 | erot = 0.585636256510411 | epot = -15.4645200026548 | etot = -14.6249037424161 -359000 ekin = 0.257771924238285 | erot = 0.587595069854159 | epot = -15.470270736536 | etot = -14.6249037424435 -360000 ekin = 0.261178006692362 | erot = 0.588498175296126 | epot = -15.4745799244509 | etot = -14.6249037424624 -361000 ekin = 0.264121303803865 | erot = 0.588169931158578 | epot = -15.4771949774352 | etot = -14.6249037424728 -362000 ekin = 0.266656268947586 | erot = 0.586437607933159 | epot = -15.4779976193564 | etot = -14.6249037424757 -363000 ekin = 0.268947338173594 | erot = 0.583131261385069 | epot = -15.4769823420319 | etot = -14.6249037424733 -364000 ekin = 0.271226723299151 | erot = 0.578087502910549 | epot = -15.4742179686787 | etot = -14.624903742469 -365000 ekin = 0.273728224388467 | erot = 0.571157191000871 | epot = -15.4697891578569 | etot = -14.6249037424676 -366000 ekin = 0.276601570519792 | erot = 0.562216266683795 | epot = -15.4637215796778 | etot = -14.6249037424742 -367000 ekin = 0.279824898676098 | erot = 0.551178529879434 | epot = -15.4559071710478 | etot = -14.6249037424923 -368000 ekin = 0.283144751011445 | erot = 0.538009090150866 | epot = -15.4460575836835 | etot = -14.6249037425212 -369000 ekin = 0.286073979195581 | erot = 0.522737270878923 | epot = -15.4337149926306 | etot = -14.6249037425561 -370000 ekin = 0.287962637923446 | erot = 0.505467651700438 | epot = -15.4183340322116 | etot = -14.6249037425877 -371000 ekin = 0.288129562577258 | erot = 0.486387667907668 | epot = -15.3994209730903 | etot = -14.6249037426054 -372000 ekin = 0.286016270828658 | erot = 0.46576999808234 | epot = -15.3766900115119 | etot = -14.6249037426009 -373000 ekin = 0.28131449291777 | erot = 0.44396824694377 | epot = -15.3501864824323 | etot = -14.6249037425708 -374000 ekin = 0.274029637541844 | erot = 0.421405384814399 | epot = -15.3203387648735 | etot = -14.6249037425173 -375000 ekin = 0.264468317324484 | erot = 0.398555847613824 | epot = -15.2879279073849 | etot = -14.6249037424466 -376000 ekin = 0.253165169268526 | erot = 0.375923572597148 | epot = -15.2539924842331 | etot = -14.6249037423675 -377000 ekin = 0.240780733675043 | erot = 0.354018931407531 | epot = -15.2197034073705 | etot = -14.6249037422879 -378000 ekin = 0.228003530693319 | erot = 0.333337224178132 | epot = -15.1862444970855 | etot = -14.624903742214 -379000 ekin = 0.215478669427759 | erot = 0.314340303318484 | epot = -15.1547227148953 | etot = -14.624903742149 -380000 ekin = 0.203769466320592 | erot = 0.297441561968215 | epot = -15.1261147703835 | etot = -14.6249037420947 -381000 ekin = 0.193344913038784 | erot = 0.28299357961111 | epot = -15.1012422347014 | etot = -14.6249037420515 -382000 ekin = 0.184579097116762 | erot = 0.271277560103732 | epot = -15.0807603992407 | etot = -14.6249037420202 -383000 ekin = 0.177749902922565 | erot = 0.262494318474771 | epot = -15.0651479633987 | etot = -14.6249037420014 -384000 ekin = 0.173031383434342 | erot = 0.256757595375907 | epot = -15.0546927208061 | etot = -14.6249037419958 -385000 ekin = 0.170483112154611 | erot = 0.254091341095815 | epot = -15.049478195254 | etot = -14.6249037420036 -386000 ekin = 0.170046361592112 | erot = 0.254432809989126 | epot = -15.0493829136047 | etot = -14.6249037420235 -387000 ekin = 0.171558026226825 | erot = 0.257642587604582 | epot = -15.0541043558832 | etot = -14.6249037420518 -388000 ekin = 0.174787865438713 | erot = 0.263521131369935 | epot = -15.0632127388923 | etot = -14.6249037420836 -389000 ekin = 0.179494526901415 | erot = 0.271829477565432 | epot = -15.0762277465806 | etot = -14.6249037421138 -390000 ekin = 0.185484901052056 | erot = 0.282310127810448 | epot = -15.0926987710007 | etot = -14.6249037421382 -391000 ekin = 0.192654775275645 | erot = 0.294703495235847 | epot = -15.1122620126676 | etot = -14.6249037421561 -392000 ekin = 0.200990711955422 | erot = 0.308756153372483 | epot = -15.1346506074986 | etot = -14.6249037421707 -393000 ekin = 0.210524629688135 | erot = 0.324219483680835 | epot = -15.1596478555569 | etot = -14.624903742188 -394000 ekin = 0.221250398117909 | erot = 0.340840530849171 | epot = -15.1869946711819 | etot = -14.6249037422148 -395000 ekin = 0.233028912153377 | erot = 0.358349828150776 | epot = -15.2162824825608 | etot = -14.6249037422566 -396000 ekin = 0.24551683484774 | erot = 0.376452447323546 | epot = -15.246873024486 | etot = -14.6249037423147 -397000 ekin = 0.258149646288765 | erot = 0.394827815017102 | epot = -15.277881203691 | etot = -14.6249037423851 -398000 ekin = 0.270192540269911 | erot = 0.413141033371924 | epot = -15.3082373161009 | etot = -14.624903742459 -399000 ekin = 0.280849396853359 | erot = 0.431064534842246 | epot = -15.3368176742213 | etot = -14.6249037425257 -400000 ekin = 0.289399657315015 | erot = 0.448305349544995 | epot = -15.3626087494354 | etot = -14.6249037425754 -401000 ekin = 0.295323233787434 | erot = 0.464631356381723 | epot = -15.3848583327708 | etot = -14.6249037426017 -402000 ekin = 0.298377750400983 | erot = 0.479890206670516 | epot = -15.403171699675 | etot = -14.6249037426035 -403000 ekin = 0.298608046776455 | erot = 0.49401684483596 | epot = -15.4175286341975 | etot = -14.6249037425851 -404000 ekin = 0.296288720275777 | erot = 0.507028747324647 | epot = -15.4282212101546 | etot = -14.6249037425541 -405000 ekin = 0.291819450890444 | erot = 0.519011022290083 | epot = -15.4357342157004 | etot = -14.6249037425198 -406000 ekin = 0.285604695316647 | erot = 0.530095491696055 | epot = -15.4406039295028 | etot = -14.6249037424901 -407000 ekin = 0.2779517950128 | erot = 0.540438449781317 | epot = -15.4432939872644 | etot = -14.6249037424703 -408000 ekin = 0.269015012492784 | erot = 0.550201084797022 | epot = -15.4441198397505 | etot = -14.6249037424607 -409000 ekin = 0.258799683407146 | erot = 0.559535019811769 | epot = -15.4432384456767 | etot = -14.6249037424578 -410000 ekin = 0.247223943172528 | erot = 0.568573648692213 | epot = -15.4407013343199 | etot = -14.6249037424552 -411000 ekin = 0.234219542826923 | erot = 0.577428429926601 | epot = -15.4365517151993 | etot = -14.6249037424458 -412000 ekin = 0.219842320368698 | erot = 0.586188386128906 | epot = -15.4309344489214 | etot = -14.6249037424238 -413000 ekin = 0.20435994837526 | erot = 0.594920843620994 | epot = -15.4241845343832 | etot = -14.6249037423869 -414000 ekin = 0.188290368309867 | erot = 0.603671832826878 | epot = -15.4168659434732 | etot = -14.6249037423364 -415000 ekin = 0.17237708181712 | erot = 0.6124653242919 | epot = -15.4097461483873 | etot = -14.6249037422783 -416000 ekin = 0.157503657631228 | erot = 0.621301324615769 | epot = -15.4037087244679 | etot = -14.6249037422209 -417000 ekin = 0.144565276806289 | erot = 0.630153567597092 | epot = -15.399622586577 | etot = -14.6249037421736 -418000 ekin = 0.134326161306418 | erot = 0.638967960411968 | epot = -15.398197863863 | etot = -14.6249037421446 -419000 ekin = 0.127295713867183 | erot = 0.647663024756225 | epot = -15.3998624807619 | etot = -14.6249037421385 -420000 ekin = 0.123652074079106 | erot = 0.656133267678458 | epot = -15.4046890839134 | etot = -14.6249037421558 -421000 ekin = 0.123230332545554 | erot = 0.664256043547071 | epot = -15.4123901182848 | etot = -14.6249037421922 -422000 ekin = 0.125576493084721 | erot = 0.671901405101286 | epot = -15.4223816404263 | etot = -14.6249037422402 -423000 ekin = 0.130051930466301 | erot = 0.678943694027942 | epot = -15.4338993667852 | etot = -14.6249037422909 -424000 ekin = 0.135961143238876 | erot = 0.685273086227244 | epot = -15.4461379718019 | etot = -14.6249037423358 -425000 ekin = 0.142671659965505 | erot = 0.69080498381162 | epot = -15.4583803861461 | etot = -14.624903742369 -426000 ekin = 0.149699767318722 | erot = 0.695485561348404 | epot = -15.4700890710554 | etot = -14.6249037423883 -427000 ekin = 0.156747049208244 | erot = 0.699292628464214 | epot = -15.4809434200673 | etot = -14.6249037423948 -428000 ekin = 0.163686553654253 | erot = 0.702231990285515 | epot = -15.4908222863323 | etot = -14.6249037423925 -429000 ekin = 0.170509683514413 | erot = 0.70433031530151 | epot = -15.4997437412025 | etot = -14.6249037423866 -430000 ekin = 0.177252892951188 | erot = 0.705626025883397 | epot = -15.507782661217 | etot = -14.6249037423824 -431000 ekin = 0.183925691222352 | erot = 0.706159951516081 | epot = -15.5149893851221 | etot = -14.6249037423836 -432000 ekin = 0.190457851079565 | erot = 0.70596688379378 | epot = -15.5213284772654 | etot = -14.6249037423921 -433000 ekin = 0.196676887388984 | erot = 0.705069371776661 | epot = -15.5266500015729 | etot = -14.6249037424073 -434000 ekin = 0.202317433899364 | erot = 0.703474477741261 | epot = -15.5306956540676 | etot = -14.624903742427 -435000 ekin = 0.207056046506538 | erot = 0.701173837003675 | epot = -15.533133625958 | etot = -14.6249037424478 -436000 ekin = 0.210560164856777 | erot = 0.698146912242834 | epot = -15.5336108195658 | etot = -14.6249037424662 -437000 ekin = 0.212539330538657 | erot = 0.69436686481977 | epot = -15.5318099378375 | etot = -14.6249037424791 -438000 ekin = 0.212789433625669 | erot = 0.689808070113577 | epot = -15.5275012462234 | etot = -14.6249037424842 -439000 ekin = 0.211224885327081 | erot = 0.684454087056256 | epot = -15.5205827148631 | etot = -14.6249037424798 -440000 ekin = 0.207897417438738 | erot = 0.678304934040362 | epot = -15.5111060939442 | etot = -14.6249037424651 -441000 ekin = 0.203002684917544 | erot = 0.671382822497087 | epot = -15.4992892498551 | etot = -14.6249037424404 -442000 ekin = 0.196876783893444 | erot = 0.663735946787442 | epot = -15.485516473087 | etot = -14.6249037424062 -443000 ekin = 0.189984458135359 | erot = 0.655440346227863 | epot = -15.4703285467267 | etot = -14.6249037423634 -444000 ekin = 0.182899715135716 | erot = 0.646600090309095 | epot = -15.4544035477587 | etot = -14.6249037423138 -445000 ekin = 0.176278659807256 | erot = 0.637346059016788 | epot = -15.4385284610839 | etot = -14.6249037422598 -446000 ekin = 0.170824489262319 | erot = 0.627833490901675 | epot = -15.4235617223679 | etot = -14.6249037422039 -447000 ekin = 0.167246115781588 | erot = 0.618238375507795 | epot = -15.4103882334389 | etot = -14.6249037421495 -448000 ekin = 0.166214016011178 | erot = 0.608752709244163 | epot = -15.3998704673549 | etot = -14.6249037420996 -449000 ekin = 0.168318002547464 | erot = 0.599578546515158 | epot = -15.3928002911194 | etot = -14.6249037420568 -450000 ekin = 0.174030350885997 | erot = 0.590920601689278 | epot = -15.3898546945991 | etot = -14.6249037420239 -451000 ekin = 0.183674309612449 | erot = 0.582976972210044 | epot = -15.3915550238259 | etot = -14.6249037420034 -452000 ekin = 0.197394458885136 | erot = 0.575927582957288 | epot = -15.3982257838406 | etot = -14.6249037419982 -453000 ekin = 0.21512429096355 | erot = 0.569920414706644 | epot = -15.4099484476817 | etot = -14.6249037420115 -454000 ekin = 0.236549344238021 | erot = 0.565056494271684 | epot = -15.4265095805563 | etot = -14.6249037420466 -455000 ekin = 0.26107066649251 | erot = 0.561375729613514 | epot = -15.4473501382118 | etot = -14.6249037421058 -456000 ekin = 0.287780783018564 | erot = 0.558846520705737 | epot = -15.4715310459135 | etot = -14.6249037421892 -457000 ekin = 0.315469350478398 | erot = 0.557362227355198 | epot = -15.4977353201268 | etot = -14.6249037422932 -458000 ekin = 0.342675461160486 | erot = 0.556746783054669 | epot = -15.5243259866254 | etot = -14.6249037424102 -459000 ekin = 0.367796771323547 | erot = 0.556770049266648 | epot = -15.5494705631187 | etot = -14.6249037425286 -460000 ekin = 0.389252836428699 | erot = 0.557171234684316 | epot = -15.5713278137469 | etot = -14.6249037426338 -461000 ekin = 0.405683830371934 | erot = 0.557686417732654 | epot = -15.588273990816 | etot = -14.6249037427114 -462000 ekin = 0.41615050976317 | erot = 0.558074591843087 | epot = -15.5991288443563 | etot = -14.62490374275 -463000 ekin = 0.420292029664587 | erot = 0.558136338549784 | epot = -15.6033321109585 | etot = -14.6249037427441 -464000 ekin = 0.418399545177946 | erot = 0.557720582602229 | epot = -15.6010238704766 | etot = -14.6249037426964 -465000 ekin = 0.411377435968348 | erot = 0.556717766126943 | epot = -15.592998944713 | etot = -14.6249037426177 -466000 ekin = 0.400588481170385 | erot = 0.555041504869352 | epot = -15.5805337285651 | etot = -14.6249037425254 -467000 ekin = 0.387608315925592 | erot = 0.552604267016079 | epot = -15.5651163253806 | etot = -14.6249037424389 -468000 ekin = 0.373939506071155 | erot = 0.549294716065804 | epot = -15.5481379645132 | etot = -14.6249037423763 -469000 ekin = 0.360748545285724 | erot = 0.544964338610985 | epot = -15.5306166262455 | etot = -14.6249037423488 -470000 ekin = 0.348685397522308 | erot = 0.539428754142175 | epot = -15.5130178940236 | etot = -14.6249037423592 -471000 ekin = 0.337825425309533 | erot = 0.532485282885717 | epot = -15.4952144505958 | etot = -14.6249037424005 -472000 ekin = 0.327743216876142 | erot = 0.523944004294882 | epot = -15.4765909636297 | etot = -14.6249037424587 -473000 ekin = 0.317695625905302 | erot = 0.513665869846428 | epot = -15.4562652382673 | etot = -14.6249037425156 -474000 ekin = 0.306866206293077 | erot = 0.501599410558585 | epot = -15.4333693594052 | etot = -14.6249037425536 -475000 ekin = 0.294611572516325 | erot = 0.487807694339578 | epot = -15.4073230094157 | etot = -14.6249037425598 -476000 ekin = 0.280654133646186 | erot = 0.472479343852861 | epot = -15.3780372200275 | etot = -14.6249037425285 -477000 ekin = 0.265182667318923 | erot = 0.45592098927681 | epot = -15.3460073990573 | etot = -14.6249037424616 -478000 ekin = 0.248846579356572 | erot = 0.438532535944384 | epot = -15.3122828576692 | etot = -14.6249037423683 -479000 ekin = 0.232654569021534 | erot = 0.420770062233477 | epot = -15.2783283735172 | etot = -14.6249037422622 -480000 ekin = 0.217807844647013 | erot = 0.403103245642619 | epot = -15.2458148324477 | etot = -14.6249037421581 -481000 ekin = 0.205508255202962 | erot = 0.385974572359883 | epot = -15.2163865696323 | etot = -14.6249037420695 -482000 ekin = 0.19678156694235 | erot = 0.369766310247464 | epot = -15.1914516191956 | etot = -14.6249037420058 -483000 ekin = 0.192346943568308 | erot = 0.354778814406232 | epot = -15.1720294999467 | etot = -14.6249037419722 -484000 ekin = 0.192548846646656 | erot = 0.341220938396417 | epot = -15.1586735270114 | etot = -14.6249037419683 -485000 ekin = 0.197351634264863 | erot = 0.329210924265139 | epot = -15.1514663005208 | etot = -14.6249037419908 -486000 ekin = 0.20638457111255 | erot = 0.318784712513067 | epot = -15.1500730256597 | etot = -14.6249037420341 -487000 ekin = 0.219018661980825 | erot = 0.30990833731601 | epot = -15.1538307413881 | etot = -14.6249037420913 -488000 ekin = 0.234457053485159 | erot = 0.302491737711703 | epot = -15.1618525333529 | etot = -14.624903742156 -489000 ekin = 0.251825722281652 | erot = 0.296402451840958 | epot = -15.1731319163445 | etot = -14.6249037422219 -490000 ekin = 0.270257579251709 | erot = 0.291478772534598 | epot = -15.1866400940702 | etot = -14.6249037422839 -491000 ekin = 0.288968023939754 | erot = 0.287542686829926 | epot = -15.2014144531061 | etot = -14.6249037423365 -492000 ekin = 0.307321746939228 | erot = 0.284413165332613 | epot = -15.2166386546469 | etot = -14.6249037423751 -493000 ekin = 0.324889192266724 | erot = 0.281920128741297 | epot = -15.2317130634048 | etot = -14.6249037423968 -494000 ekin = 0.34148788338571 | erot = 0.279918789014045 | epot = -15.2463104147988 | etot = -14.6249037423991 -495000 ekin = 0.357200801059907 | erot = 0.27830316795437 | epot = -15.2604077113965 | etot = -14.6249037423822 -496000 ekin = 0.372363075865331 | erot = 0.277016625443997 | epot = -15.2742834436586 | etot = -14.6249037423492 -497000 ekin = 0.387510424728836 | erot = 0.276056483801624 | epot = -15.2884706508366 | etot = -14.6249037423061 -498000 ekin = 0.40328774473455 | erot = 0.275469725413449 | epot = -15.3036612124099 | etot = -14.6249037422619 -499000 ekin = 0.420322923931638 | erot = 0.275337682298311 | epot = -15.3205643484574 | etot = -14.6249037422275 -500000 ekin = 0.439078206868906 | erot = 0.275749832423424 | epot = -15.3397317815068 | etot = -14.6249037422144 -501000 ekin = 0.459699055392479 | erot = 0.27677002458918 | epot = -15.3613728222145 | etot = -14.6249037422328 -502000 ekin = 0.481887975237045 | erot = 0.278401857022953 | epot = -15.3851935745487 | etot = -14.6249037422887 -503000 ekin = 0.504836001699661 | erot = 0.280562273427077 | epot = -15.4103020175081 | etot = -14.6249037423814 -504000 ekin = 0.527242963720809 | erot = 0.283072520273854 | epot = -15.4352192264968 | etot = -14.6249037425021 -505000 ekin = 0.547444055754969 | erot = 0.285672032586941 | epot = -15.4580198309761 | etot = -14.6249037426342 -506000 ekin = 0.563636138783675 | erot = 0.288055811210013 | epot = -15.4765956927492 | etot = -14.6249037427555 -507000 ekin = 0.574166796919079 | erot = 0.289928574131231 | epot = -15.488999113894 | etot = -14.6249037428437 -508000 ekin = 0.57782515130048 | erot = 0.291063326861402 | epot = -15.4937922210432 | etot = -14.6249037428813 -509000 ekin = 0.574066827021413 | erot = 0.291350176078827 | epot = -15.4903207459603 | etot = -14.6249037428601 -510000 ekin = 0.563118031117931 | erot = 0.290823209378486 | epot = -15.4788449832791 | etot = -14.6249037427827 -511000 ekin = 0.545937816053972 | erot = 0.289659846600232 | epot = -15.4605014053163 | etot = -14.6249037426621 -512000 ekin = 0.52405192466186 | erot = 0.2881539193295 | epot = -15.4371095865088 | etot = -14.6249037425175 -513000 ekin = 0.499300074198536 | erot = 0.28667044386956 | epot = -15.4108742604381 | etot = -14.62490374237 -514000 ekin = 0.473556830411034 | erot = 0.285593013544196 | epot = -15.3840535861943 | etot = -14.6249037422391 -515000 ekin = 0.448481344235602 | erot = 0.285274677057636 | epot = -15.3586597634315 | etot = -14.6249037421383 -516000 ekin = 0.425336124988924 | erot = 0.286000471485298 | epot = -15.3362403385491 | etot = -14.6249037420749 -517000 ekin = 0.404895133581714 | erot = 0.287965811661741 | epot = -15.3177646872924 | etot = -14.624903742049 -518000 ekin = 0.387441371960463 | erot = 0.29127124708814 | epot = -15.3036163611039 | etot = -14.6249037420553 -519000 ekin = 0.372839035853544 | erot = 0.295931281214217 | epot = -15.2936740591526 | etot = -14.6249037420848 -520000 ekin = 0.360656186943702 | erot = 0.301893194868378 | epot = -15.2874531239385 | etot = -14.6249037421264 -521000 ekin = 0.350310207444023 | erot = 0.30906098360492 | epot = -15.2842749332187 | etot = -14.6249037421697 -522000 ekin = 0.341208800540165 | erot = 0.317319408449295 | epot = -15.2834319511959 | etot = -14.6249037422064 -523000 ekin = 0.332862997937259 | erot = 0.326553653087547 | epot = -15.2843203932564 | etot = -14.6249037422316 -524000 ekin = 0.324955020060425 | erot = 0.336661144000779 | epot = -15.2865199063054 | etot = -14.6249037422442 -525000 ekin = 0.317352570821777 | erot = 0.347553686772866 | epot = -15.2898099998417 | etot = -14.6249037422471 -526000 ekin = 0.310071537936686 | erot = 0.359150063852697 | epot = -15.2941253440357 | etot = -14.6249037422464 -527000 ekin = 0.30319969763028 | erot = 0.371361343284829 | epot = -15.2994647831646 | etot = -14.6249037422495 -528000 ekin = 0.296802852838071 | erot = 0.384072970478812 | epot = -15.3057795655796 | etot = -14.6249037422627 -529000 ekin = 0.290839689447108 | erot = 0.397128838352017 | epot = -15.3128722700896 | etot = -14.6249037422905 -530000 ekin = 0.285110822260319 | erot = 0.410322608856454 | epot = -15.320337173449 | etot = -14.6249037423323 -531000 ekin = 0.279260366287054 | erot = 0.423400398731268 | epot = -15.3275645074017 | etot = -14.6249037423834 -532000 ekin = 0.272835705905111 | erot = 0.4360765883685 | epot = -15.3338160367088 | etot = -14.6249037424352 -533000 ekin = 0.265395406955148 | erot = 0.448061330488109 | epot = -15.3383604799197 | etot = -14.6249037424764 -534000 ekin = 0.256640351799918 | erot = 0.459095045026538 | epot = -15.3406391393234 | etot = -14.6249037424969 -535000 ekin = 0.246533633694114 | erot = 0.46898274217995 | epot = -15.3404201183641 | etot = -14.62490374249 -536000 ekin = 0.235373881374739 | erot = 0.477620282695672 | epot = -15.3378979065248 | etot = -14.6249037424544 -537000 ekin = 0.223795203401919 | erot = 0.485006039595133 | epot = -15.3337049853922 | etot = -14.6249037423951 -538000 ekin = 0.212682661997928 | erot = 0.491234540507361 | epot = -15.3288209448297 | etot = -14.6249037423244 -539000 ekin = 0.203011536568405 | erot = 0.496472671627705 | epot = -15.3243879504539 | etot = -14.6249037422578 -540000 ekin = 0.195638496926135 | erot = 0.50092291227584 | epot = -15.3214651514142 | etot = -14.6249037422123 -541000 ekin = 0.191090437374276 | erot = 0.504781043299091 | epot = -15.3207752228744 | etot = -14.624903742201 -542000 ekin = 0.189407567632742 | erot = 0.508197267609352 | epot = -15.3225085774713 | etot = -14.6249037422292 -543000 ekin = 0.190094034781292 | erot = 0.511249275630852 | epot = -15.326247052704 | etot = -14.6249037422918 -544000 ekin = 0.192205662500225 | erot = 0.513933300995961 | epot = -15.3310427058708 | etot = -14.6249037423746 -545000 ekin = 0.194562943958487 | erot = 0.516174993404676 | epot = -15.3356416798199 | etot = -14.6249037424567 -546000 ekin = 0.196033343259802 | erot = 0.517857026727554 | epot = -15.3387941125054 | etot = -14.624903742518 -547000 ekin = 0.19580143908636 | erot = 0.518856237019682 | epot = -15.3395614186506 | etot = -14.6249037425445 -548000 ekin = 0.193552178457268 | erot = 0.519081068513129 | epot = -15.3375369895014 | etot = -14.624903742531 -549000 ekin = 0.189527872077315 | erot = 0.518500763845738 | epot = -15.332932378404 | etot = -14.6249037424809 -550000 ekin = 0.184464697192282 | erot = 0.517160608017039 | epot = -15.3265290476137 | etot = -14.6249037424044 -551000 ekin = 0.179447519613205 | erot = 0.515181377054168 | epot = -15.3195326389812 | etot = -14.6249037423139 -552000 ekin = 0.175731062294521 | erot = 0.512744588095886 | epot = -15.3133793926124 | etot = -14.624903742222 -553000 ekin = 0.174564310045835 | erot = 0.510067400325703 | epot = -15.3095354525117 | etot = -14.6249037421402 -554000 ekin = 0.177036897100683 | erot = 0.507372062614515 | epot = -15.309312701793 | etot = -14.6249037420778 -555000 ekin = 0.183953653121175 | erot = 0.504855061241007 | epot = -15.3137124564046 | etot = -14.6249037420424 -556000 ekin = 0.195740677803854 | erot = 0.502660902829331 | epot = -15.3233053226717 | etot = -14.6249037420385 -557000 ekin = 0.212389174813147 | erot = 0.500864749566708 | epot = -15.338157666447 | etot = -14.6249037420672 -558000 ekin = 0.23344502097276 | erot = 0.499466731744655 | epot = -15.357815494843 | etot = -14.6249037421256 -559000 ekin = 0.258048678277938 | erot = 0.498398734230019 | epot = -15.3813511547153 | etot = -14.6249037422074 -560000 ekin = 0.285022157939512 | erot = 0.49754195086514 | epot = -15.4074678511078 | etot = -14.6249037423032 -561000 ekin = 0.312990622171654 | erot = 0.496751658909336 | epot = -15.4346460234837 | etot = -14.6249037424027 -562000 ekin = 0.340519848729776 | erot = 0.495884310853372 | epot = -15.4613079020793 | etot = -14.6249037424961 -563000 ekin = 0.366249237356 | erot = 0.494821962716246 | epot = -15.4859749426474 | etot = -14.6249037425751 -564000 ekin = 0.389003340228442 | erot = 0.493490109026911 | epot = -15.5073971918898 | etot = -14.6249037426344 -565000 ekin = 0.407871381975258 | erot = 0.491866632343677 | epot = -15.5246417569902 | etot = -14.6249037426713 -566000 ekin = 0.422251605412405 | erot = 0.489981232304148 | epot = -15.537136580402 | etot = -14.6249037426854 -567000 ekin = 0.431863045464181 | erot = 0.48790647095657 | epot = -15.5446732590993 | etot = -14.6249037426785 -568000 ekin = 0.436733840917554 | erot = 0.485743252286935 | epot = -15.5473808358579 | etot = -14.6249037426534 -569000 ekin = 0.437172173178126 | erot = 0.483603786385869 | epot = -15.5456797021773 | etot = -14.6249037426133 -570000 ekin = 0.433727138645419 | erot = 0.481595978794116 | epot = -15.5402268600013 | etot = -14.6249037425617 -571000 ekin = 0.427141808143026 | erot = 0.479812578148763 | epot = -15.5318581287941 | etot = -14.6249037425023 -572000 ekin = 0.418294466660563 | erot = 0.478326721684033 | epot = -15.5215249307844 | etot = -14.6249037424398 -573000 ekin = 0.408121101334992 | erot = 0.477193277920611 | epot = -15.5102181216358 | etot = -14.6249037423802 -574000 ekin = 0.397514818217457 | erot = 0.476453234967311 | epot = -15.4988717955158 | etot = -14.6249037423311 -575000 ekin = 0.387207144489171 | erot = 0.476137354470425 | epot = -15.4882482412599 | etot = -14.6249037423003 -576000 ekin = 0.377649119217314 | erot = 0.476266044933562 | epot = -15.4788189064453 | etot = -14.6249037422944 -577000 ekin = 0.368920817132226 | erot = 0.476844730976786 | epot = -15.4706692904254 | etot = -14.6249037423164 -578000 ekin = 0.360700785230741 | erot = 0.477856883134822 | epot = -15.4634614107288 | etot = -14.6249037423632 -579000 ekin = 0.352319179858308 | erot = 0.479258927577157 | epot = -15.4564818498611 | etot = -14.6249037424256 -580000 ekin = 0.342901425190187 | erot = 0.480981430412776 | epot = -15.4487865980922 | etot = -14.6249037424893 -581000 ekin = 0.331586894252575 | erot = 0.482939076923953 | epot = -15.4394297137127 | etot = -14.6249037425362 -582000 ekin = 0.317784488003998 | erot = 0.485048781539638 | epot = -15.4277370120932 | etot = -14.6249037425495 -583000 ekin = 0.301409490236239 | erot = 0.487252029394849 | epot = -15.4135652621486 | etot = -14.6249037425175 -584000 ekin = 0.283039202393957 | erot = 0.489535511256142 | epot = -15.3974784560878 | etot = -14.6249037424377 -585000 ekin = 0.263933313487419 | erot = 0.491944128120081 | epot = -15.380781183926 | etot = -14.6249037423185 -586000 ekin = 0.245890887800433 | erot = 0.494582820571413 | epot = -15.3653774505512 | etot = -14.6249037421793 -587000 ekin = 0.230956405620081 | erot = 0.497607010278675 | epot = -15.3534671579451 | etot = -14.6249037420464 -588000 ekin = 0.221033841917523 | erot = 0.501205839010948 | epot = -15.3471434228734 | etot = -14.624903741945 -589000 ekin = 0.21750442850326 | erot = 0.505584588308524 | epot = -15.3479927587061 | etot = -14.6249037418943 -590000 ekin = 0.220953423088753 | erot = 0.510952138426249 | epot = -15.3568093034155 | etot = -14.6249037419005 -591000 ekin = 0.231083134064746 | erot = 0.517515644130575 | epot = -15.3735025201508 | etot = -14.6249037419554 -592000 ekin = 0.246829245753635 | erot = 0.525479282587494 | epot = -15.3972122703833 | etot = -14.6249037420422 -593000 ekin = 0.26662894973047 | erot = 0.535039778666637 | epot = -15.4265724705377 | etot = -14.6249037421406 -594000 ekin = 0.288743434935807 | erot = 0.546371032865614 | epot = -15.4600182100362 | etot = -14.6249037422348 -595000 ekin = 0.311533695301779 | erot = 0.559594229359546 | epot = -15.4960316669788 | etot = -14.6249037423175 -596000 ekin = 0.3336243482615 | erot = 0.574736425374656 | epot = -15.5332645160253 | etot = -14.6249037423892 -597000 ekin = 0.353943370598348 | erot = 0.591686591895555 | epot = -15.57053370495 | etot = -14.6249037424561 -598000 ekin = 0.371670846224556 | erot = 0.610160828224063 | epot = -15.6067354169738 | etot = -14.6249037425252 -599000 ekin = 0.386151688530433 | erot = 0.629687420924883 | epot = -15.6407428520557 | etot = -14.6249037426004 -600000 ekin = 0.396824670884606 | erot = 0.649618644309941 | epot = -15.6713470578748 | etot = -14.6249037426803 -601000 ekin = 0.403202067553919 | erot = 0.669171693345246 | epot = -15.6972775036573 | etot = -14.6249037427582 -602000 ekin = 0.40490852829975 | erot = 0.687495721385519 | epot = -15.7173079925082 | etot = -14.6249037428229 -603000 ekin = 0.401765041348506 | erot = 0.703757265562631 | epot = -15.7304260497733 | etot = -14.6249037428622 -604000 ekin = 0.393886240081525 | erot = 0.717231476889702 | epot = -15.7360214598372 | etot = -14.624903742866 -605000 ekin = 0.38175038495462 | erot = 0.727382711583425 | epot = -15.7340368393683 | etot = -14.6249037428302 -606000 ekin = 0.366205114566941 | erot = 0.733917584160155 | epot = -15.725026441486 | etot = -14.6249037427589 -607000 ekin = 0.348389460814908 | erot = 0.736798185090599 | epot = -15.7100913885695 | etot = -14.624903742664 -608000 ekin = 0.329579787369096 | erot = 0.736212623478789 | epot = -15.6906961534101 | etot = -14.6249037425622 -609000 ekin = 0.310994196071395 | erot = 0.73251127479451 | epot = -15.6684092133368 | etot = -14.6249037424709 -610000 ekin = 0.293604835884145 | erot = 0.726125549058765 | epot = -15.6446341273466 | etot = -14.6249037424037 -611000 ekin = 0.278004208601941 | erot = 0.717488389875027 | epot = -15.620396340845 | etot = -14.624903742368 -612000 ekin = 0.264353214552908 | erot = 0.706972008379807 | epot = -15.5962289652964 | etot = -14.6249037423637 -613000 ekin = 0.252415280668165 | erot = 0.694851301360494 | epot = -15.5721703244133 | etot = -14.6249037423847 -614000 ekin = 0.241662201716805 | erot = 0.681294462599433 | epot = -15.5478604067365 | etot = -14.6249037424203 -615000 ekin = 0.231427318529322 | erot = 0.666377599992121 | epot = -15.5227086609789 | etot = -14.6249037424574 -616000 ekin = 0.221078258759027 | erot = 0.650117838829056 | epot = -15.4960998400712 | etot = -14.6249037424831 -617000 ekin = 0.210180390467373 | erot = 0.632518274251274 | epot = -15.4676024072048 | etot = -14.6249037424862 -618000 ekin = 0.19862150965634 | erot = 0.61361713210071 | epot = -15.437142384217 | etot = -14.6249037424599 -619000 ekin = 0.186670442213662 | erot = 0.593532504056955 | epot = -15.4051066886746 | etot = -14.6249037424039 -620000 ekin = 0.174951539061879 | erot = 0.572493952083693 | epot = -15.3723492334697 | etot = -14.6249037423241 -621000 ekin = 0.164335257152339 | erot = 0.550854196820419 | epot = -15.3400931962051 | etot = -14.6249037422323 -622000 ekin = 0.15576803968181 | erot = 0.529078173717942 | epot = -15.3097499555427 | etot = -14.6249037421429 -623000 ekin = 0.150083571178598 | erot = 0.507711807337566 | epot = -15.2826991205848 | etot = -14.6249037420687 -624000 ekin = 0.147843467415458 | erot = 0.487337070698791 | epot = -15.2600842801331 | etot = -14.6249037420188 -625000 ekin = 0.149245521580975 | erot = 0.468521842126362 | epot = -15.242671105704 | etot = -14.6249037419967 -626000 ekin = 0.154116108891131 | erot = 0.451772481731462 | epot = -15.2307923326229 | etot = -14.6249037420003 -627000 ekin = 0.161979086426179 | erot = 0.437494698740194 | epot = -15.2243775271902 | etot = -14.6249037420239 -628000 ekin = 0.172174902879175 | erot = 0.425965324893585 | epot = -15.2230439698325 | etot = -14.6249037420598 -629000 ekin = 0.183995029152314 | erot = 0.417314987668265 | epot = -15.2262137589216 | etot = -14.624903742101 -630000 ekin = 0.196798066694665 | erot = 0.411519917956496 | epot = -15.2332217267944 | etot = -14.6249037421432 -631000 ekin = 0.210082131921541 | erot = 0.408400457423892 | epot = -15.2433863315305 | etot = -14.6249037421851 -632000 ekin = 0.223500184825895 | erot = 0.407624312389087 | epot = -15.2560282394437 | etot = -14.6249037422287 -633000 ekin = 0.236818662196578 | erot = 0.408714108140466 | epot = -15.2704365126158 | etot = -14.6249037422787 -634000 ekin = 0.249833574952738 | erot = 0.411060882466515 | epot = -15.2857981997594 | etot = -14.6249037423402 -635000 ekin = 0.262270239999152 | erot = 0.413946987959646 | epot = -15.3011209703752 | etot = -14.6249037424164 -636000 ekin = 0.273700147361468 | erot = 0.416582412016232 | epot = -15.315186301884 | etot = -14.6249037425063 -637000 ekin = 0.283507856899438 | erot = 0.418156955201586 | epot = -15.3265685547044 | etot = -14.6249037426034 -638000 ekin = 0.290930324554196 | erot = 0.417906927432445 | epot = -15.3337409946819 | etot = -14.6249037426952 -639000 ekin = 0.295171730169193 | erot = 0.415189912094696 | epot = -15.3352653850304 | etot = -14.6249037427665 -640000 ekin = 0.29557345321463 | erot = 0.409556450349033 | epot = -15.3300336463655 | etot = -14.6249037428018 -641000 ekin = 0.291798784614145 | erot = 0.400805216305268 | epot = -15.3175077437091 | etot = -14.6249037427896 -642000 ekin = 0.283982821763269 | erot = 0.389009767281603 | epot = -15.2978963317707 | etot = -14.6249037427259 -643000 ekin = 0.272803834295158 | erot = 0.374510198234827 | epot = -15.2722177751453 | etot = -14.6249037426153 -644000 ekin = 0.259451287281963 | erot = 0.35787030323495 | epot = -15.242225332988 | etot = -14.6249037424711 -645000 ekin = 0.24549053850944 | erot = 0.339807577757951 | epot = -15.2102018585798 | etot = -14.6249037423124 -646000 ekin = 0.232646751227162 | erot = 0.321107525182429 | epot = -15.1786580185707 | etot = -14.6249037421611 -647000 ekin = 0.222545810224123 | erot = 0.302534738054695 | epot = -15.1499842903174 | etot = -14.6249037420386 -648000 ekin = 0.216457466201495 | erot = 0.28475201940792 | epot = -15.1261132275715 | etot = -14.624903741962 -649000 ekin = 0.215087078764636 | erot = 0.268256849270223 | epot = -15.1082476699766 | etot = -14.6249037419418 -650000 ekin = 0.218457489209105 | erot = 0.253342374384717 | epot = -15.0967036055721 | etot = -14.6249037419783 -651000 ekin = 0.225910420497396 | erot = 0.240087663214758 | epot = -15.0909018257745 | etot = -14.6249037420624 -652000 ekin = 0.236236377394498 | erot = 0.228379019530553 | epot = -15.0895191391008 | etot = -14.6249037421757 -653000 ekin = 0.247915496411967 | erot = 0.217959688821804 | epot = -15.0907789275281 | etot = -14.6249037422943 -654000 ekin = 0.259425494352017 | erot = 0.20850030571605 | epot = -15.0928295424613 | etot = -14.6249037423932 -655000 ekin = 0.269554558208103 | erot = 0.199677958220037 | epot = -15.0941362588799 | etot = -14.6249037424518 -656000 ekin = 0.277652649608963 | erot = 0.191249336850249 | epot = -15.0938057289172 | etot = -14.624903742458 -657000 ekin = 0.283765747905228 | erot = 0.183104207684344 | epot = -15.0917736980005 | etot = -14.6249037424109 -658000 ekin = 0.288620908153343 | erot = 0.175289536735983 | epot = -15.088814187211 | etot = -14.6249037423216 -659000 ekin = 0.293459924910629 | erot = 0.16800102740562 | epot = -15.0863646945268 | etot = -14.6249037422106 -660000 ekin = 0.299750121924184 | erot = 0.161545913295631 | epot = -15.0861997773238 | etot = -14.624903742104 -661000 ekin = 0.30882794580141 | erot = 0.156286808494636 | epot = -15.0900184963241 | etot = -14.624903742028 -662000 ekin = 0.321550844182293 | erot = 0.152579955314811 | epot = -15.0990345415002 | etot = -14.6249037420031 -663000 ekin = 0.338040404323162 | erot = 0.150721656676881 | epot = -15.1136658030376 | etot = -14.6249037420375 -664000 ekin = 0.35758869637966 | erot = 0.150913925254683 | epot = -15.1334063637598 | etot = -14.6249037421255 -665000 ekin = 0.378766116436051 | erot = 0.153254852725981 | epot = -15.1569247114091 | etot = -14.6249037422471 -666000 ekin = 0.399716130930405 | erot = 0.157752003177184 | epot = -15.1823718764818 | etot = -14.6249037423742 -667000 ekin = 0.418564373573293 | erot = 0.16435019288794 | epot = -15.2078183089394 | etot = -14.6249037424782 -668000 ekin = 0.433827740573583 | erot = 0.172960630437096 | epot = -15.2316921135496 | etot = -14.6249037425389 -669000 ekin = 0.444701001629416 | erot = 0.183478145303361 | epot = -15.2530828894841 | etot = -14.6249037425513 -670000 ekin = 0.451136418415458 | erot = 0.195778468142474 | epot = -15.2718186290843 | etot = -14.6249037425264 -671000 ekin = 0.453701004148267 | erot = 0.209695862329476 | epot = -15.2883006089635 | etot = -14.6249037424858 -672000 ekin = 0.453273827000247 | erot = 0.224990306459319 | epot = -15.3031678759134 | etot = -14.6249037424539 -673000 ekin = 0.450699702660583 | erot = 0.241319095059427 | epot = -15.3169225401685 | etot = -14.6249037424485 -674000 ekin = 0.446523488449384 | erot = 0.258227823779524 | epot = -15.3296550547041 | etot = -14.6249037424752 -675000 ekin = 0.440889624591433 | erot = 0.275170305160563 | epot = -15.3409636722771 | etot = -14.6249037425251 -676000 ekin = 0.43362448115233 | erot = 0.29155830650734 | epot = -15.3500865302388 | etot = -14.6249037425792 -677000 ekin = 0.424453634855728 | erot = 0.306833290384575 | epot = -15.356190667856 | etot = -14.6249037426157 -678000 ekin = 0.413265176464919 | erot = 0.320546114280114 | epot = -15.3587150333616 | etot = -14.6249037426165 -679000 ekin = 0.400321537246337 | erot = 0.33242808876456 | epot = -15.3576533685843 | etot = -14.6249037425734 -680000 ekin = 0.386341988792883 | erot = 0.342437977069693 | epot = -15.3536837083532 | etot = -14.6249037424906 -681000 ekin = 0.372417408218802 | erot = 0.350774050475061 | epot = -15.3480952010793 | etot = -14.6249037423855 -682000 ekin = 0.359769645089127 | erot = 0.357847594355724 | epot = -15.3425209817278 | etot = -14.624903742283 -683000 ekin = 0.349419724484513 | erot = 0.364223142874507 | epot = -15.3385466095678 | etot = -14.6249037422088 -684000 ekin = 0.341867426589617 | erot = 0.370539083006542 | epot = -15.3373102517771 | etot = -14.6249037421809 -685000 ekin = 0.336892967753541 | erot = 0.377427285880855 | epot = -15.3392239958376 | etot = -14.6249037422032 -686000 ekin = 0.333560575457532 | erot = 0.385449795149527 | epot = -15.3439141128706 | etot = -14.6249037422635 -687000 ekin = 0.330440845245698 | erot = 0.395064019975185 | epot = -15.3504086075581 | etot = -14.6249037423373 -688000 ekin = 0.325996654363842 | erot = 0.406617593545993 | epot = -15.3575179903049 | etot = -14.6249037423951 -689000 ekin = 0.31902375237829 | erot = 0.420363991129875 | epot = -15.3642914859202 | etot = -14.6249037424121 -690000 ekin = 0.309020969989285 | erot = 0.436483939358184 | epot = -15.3704086517225 | etot = -14.624903742375 -691000 ekin = 0.296388973949697 | erot = 0.455097572739975 | epot = -15.3763902889758 | etot = -14.6249037422861 -692000 ekin = 0.282408410636572 | erot = 0.476257707732277 | epot = -15.383569860531 | etot = -14.6249037421622 -693000 ekin = 0.26900853085206 | erot = 0.499923033173746 | epot = -15.3938353060564 | etot = -14.6249037420305 -694000 ekin = 0.258387685788816 | erot = 0.525918285140374 | epot = -15.4092097128507 | etot = -14.6249037419215 -695000 ekin = 0.252576275208241 | erot = 0.553894058809539 | epot = -15.4313740758797 | etot = -14.624903741862 -696000 ekin = 0.253038186234903 | erot = 0.583300660396082 | epot = -15.4612425885006 | etot = -14.6249037418696 -697000 ekin = 0.260392018277369 | erot = 0.613388418368354 | epot = -15.4986841785946 | etot = -14.6249037419489 -698000 ekin = 0.274304391463235 | erot = 0.643241879182175 | epot = -15.5424500127355 | etot = -14.6249037420901 -699000 ekin = 0.293570250406476 | erot = 0.671848180608583 | epot = -15.5903221732866 | etot = -14.6249037422715 -700000 ekin = 0.316355070233252 | erot = 0.698191700482076 | epot = -15.6394505131798 | etot = -14.6249037424645 -701000 ekin = 0.340538337282147 | erot = 0.721359481465404 | epot = -15.6868015613873 | etot = -14.6249037426397 -702000 ekin = 0.364075443764542 | erot = 0.740637254693957 | epot = -15.7296164412326 | etot = -14.6249037427741 -703000 ekin = 0.385294321874673 | erot = 0.755576369453691 | epot = -15.7657744341838 | etot = -14.6249037428555 -704000 ekin = 0.403066716719495 | erot = 0.766018576886853 | epot = -15.7939890364902 | etot = -14.6249037428839 -705000 ekin = 0.416833588997526 | erot = 0.772075474099313 | epot = -15.8138128059661 | etot = -14.6249037428693 -706000 ekin = 0.426510451502379 | erot = 0.774072055031553 | epot = -15.8254862493606 | etot = -14.6249037428266 -707000 ekin = 0.432328070474044 | erot = 0.772470813769757 | epot = -15.8297026270148 | etot = -14.624903742771 -708000 ekin = 0.434671210546527 | erot = 0.76779427950511 | epot = -15.827369232765 | etot = -14.6249037427133 -709000 ekin = 0.433963855684076 | erot = 0.760560754832016 | epot = -15.8194283531749 | etot = -14.6249037426588 -710000 ekin = 0.430621214402443 | erot = 0.751241421805289 | epot = -15.8067663788153 | etot = -14.6249037426076 -711000 ekin = 0.425061028816158 | erot = 0.740240555545361 | epot = -15.7902053269182 | etot = -14.6249037425567 -712000 ekin = 0.417748693286293 | erot = 0.727895913280463 | epot = -15.7705483490692 | etot = -14.6249037425024 -713000 ekin = 0.409245407745191 | erot = 0.714493617369743 | epot = -15.748642767557 | etot = -14.624903742442 -714000 ekin = 0.400233112896686 | erot = 0.700290376393996 | epot = -15.725427231666 | etot = -14.6249037423753 -715000 ekin = 0.391499218629782 | erot = 0.685535269234813 | epot = -15.7019382301699 | etot = -14.6249037423053 -716000 ekin = 0.38387465328674 | erot = 0.670483824808895 | epot = -15.6792622203343 | etot = -14.6249037422387 -717000 ekin = 0.37812966517224 | erot = 0.655399296057453 | epot = -15.6584327034141 | etot = -14.6249037421844 -718000 ekin = 0.374843116813924 | erot = 0.640539821857324 | epot = -15.6402866808232 | etot = -14.6249037421519 -719000 ekin = 0.374271424141617 | erot = 0.626134666228947 | epot = -15.6253098325198 | etot = -14.6249037421492 -720000 ekin = 0.376249546442333 | erot = 0.612356169201708 | epot = -15.6135094578241 | etot = -14.62490374218 -721000 ekin = 0.38015578315651 | erot = 0.599295758360665 | epot = -15.6043552837594 | etot = -14.6249037422422 -722000 ekin = 0.384962761439327 | erot = 0.586951574250039 | epot = -15.5968180780159 | etot = -14.6249037423266 -723000 ekin = 0.38937982338218 | erot = 0.575232003297926 | epot = -15.5895155690983 | etot = -14.6249037424182 -724000 ekin = 0.392071125784558 | erot = 0.563975606697306 | epot = -15.5809504749809 | etot = -14.6249037424991 -725000 ekin = 0.391913283459399 | erot = 0.552983740178749 | epot = -15.5698007661892 | etot = -14.6249037425511 -726000 ekin = 0.388241956533271 | erot = 0.542058916015903 | epot = -15.5552046151099 | etot = -14.6249037425608 -727000 ekin = 0.381032991792366 | erot = 0.531040454531963 | epot = -15.5369771888461 | etot = -14.6249037425218 -728000 ekin = 0.370971903191828 | erot = 0.519829082375402 | epot = -15.515704728005 | etot = -14.6249037424378 -729000 ekin = 0.359388263612358 | erot = 0.50839572980859 | epot = -15.4926877357432 | etot = -14.6249037423222 -730000 ekin = 0.348057580439132 | erot = 0.496773021024845 | epot = -15.4697343436589 | etot = -14.6249037421949 -731000 ekin = 0.338902689198661 | erot = 0.485032671408036 | epot = -15.4488391026864 | etot = -14.6249037420797 -732000 ekin = 0.333649662944534 | erot = 0.473255762297357 | epot = -15.4318091672407 | etot = -14.6249037419988 -733000 ekin = 0.333505576675517 | erot = 0.461504910073763 | epot = -15.4199142287177 | etot = -14.6249037419685 -734000 ekin = 0.338924758983124 | erot = 0.44980725448349 | epot = -15.4136357554609 | etot = -14.6249037419943 -735000 ekin = 0.34951546857607 | erot = 0.438154711902834 | epot = -15.41257392255 | etot = -14.6249037420711 -736000 ekin = 0.364111355273647 | erot = 0.426523255164468 | epot = -15.4155383526203 | etot = -14.6249037421822 -737000 ekin = 0.38099571977356 | erot = 0.414906900972945 | epot = -15.4208063630506 | etot = -14.6249037423041 -738000 ekin = 0.398229414670415 | erot = 0.403356227833102 | epot = -15.4264893849155 | etot = -14.624903742412 -739000 ekin = 0.414005860072354 | erot = 0.392007798568672 | epot = -15.4309174011272 | etot = -14.6249037424862 -740000 ekin = 0.426948743961824 | erot = 0.381091720704565 | epot = -15.4329442071836 | etot = -14.6249037425172 -741000 ekin = 0.43628364768211 | erot = 0.370910229391996 | epot = -15.4320976195812 | etot = -14.6249037425071 -742000 ekin = 0.44185000182603 | erot = 0.361789064611378 | epot = -15.4285428089066 | etot = -14.6249037424692 -743000 ekin = 0.443963491146499 | erot = 0.354012421291944 | epot = -15.4228796548611 | etot = -14.6249037424227 -744000 ekin = 0.4431781085151 | erot = 0.347758127978473 | epot = -15.4158399788814 | etot = -14.6249037423879 -745000 ekin = 0.440021184884499 | erot = 0.343050543545547 | epot = -15.4079754708096 | etot = -14.6249037423796 -746000 ekin = 0.434779146250304 | erot = 0.339744491074578 | epot = -15.3994273797281 | etot = -14.6249037424032 -747000 ekin = 0.427396883604757 | erot = 0.337545938414333 | epot = -15.3898465644716 | etot = -14.6249037424525 -748000 ekin = 0.417523045840628 | erot = 0.336066252171896 | epot = -15.3784930405232 | etot = -14.6249037425107 -749000 ekin = 0.404692764111473 | erot = 0.334898725161965 | epot = -15.3644952318288 | etot = -14.6249037425554 -750000 ekin = 0.388596287616679 | erot = 0.333700338300972 | epot = -15.3472003684819 | etot = -14.6249037425642 -751000 ekin = 0.369348367994066 | erot = 0.332259621152988 | epot = -15.3265117316703 | etot = -14.6249037425233 -752000 ekin = 0.347662572336739 | erot = 0.330533807750213 | epot = -15.3031001225191 | etot = -14.6249037424322 -753000 ekin = 0.324856373470614 | erot = 0.328645172902147 | epot = -15.2784052886784 | etot = -14.6249037423056 -754000 ekin = 0.302664104351481 | erot = 0.326836116136386 | epot = -15.2544039626582 | etot = -14.6249037421703 -755000 ekin = 0.28289840530598 | erot = 0.325392677389915 | epot = -15.2331948247539 | etot = -14.624903742058 -756000 ekin = 0.267052130149329 | erot = 0.324553861439878 | epot = -15.2165097335856 | etot = -14.6249037419964 -757000 ekin = 0.255952872034472 | erot = 0.324427480977821 | epot = -15.2052840950144 | etot = -14.6249037420021 -758000 ekin = 0.24956686325796 | erot = 0.324931841856735 | epot = -15.1994024471903 | etot = -14.6249037420756 -759000 ekin = 0.247007285742123 | erot = 0.325777353497946 | epot = -15.1976883814417 | etot = -14.6249037422016 -760000 ekin = 0.246749335490671 | erot = 0.326494279609754 | epot = -15.1981473574522 | etot = -14.6249037423518 -761000 ekin = 0.247004464362874 | erot = 0.326503456901681 | epot = -15.1984116637553 | etot = -14.6249037424907 -762000 ekin = 0.246168267683208 | erot = 0.325217160868209 | epot = -15.1962891711361 | etot = -14.6249037425847 -763000 ekin = 0.243236270174742 | erot = 0.322149322885115 | epot = -15.1902893356692 | etot = -14.6249037426093 -764000 ekin = 0.238083572628182 | erot = 0.31701054114686 | epot = -15.1799978563319 | etot = -14.6249037425569 -765000 ekin = 0.231530329806237 | erot = 0.309765883621403 | epot = -15.166199955866 | etot = -14.6249037424384 -766000 ekin = 0.225163449189886 | erot = 0.300642577938324 | epot = -15.1507097694095 | etot = -14.6249037422813 -767000 ekin = 0.220947037641663 | erot = 0.29008793628379 | epot = -15.1359387160491 | etot = -14.6249037421236 -768000 ekin = 0.220714417705789 | erot = 0.278690999515915 | epot = -15.1243091592251 | etot = -14.6249037420034 -769000 ekin = 0.225674230585351 | erot = 0.267090069999984 | epot = -15.1176680425334 | etot = -14.6249037419481 -770000 ekin = 0.23606686040605 | erot = 0.255889903618604 | epot = -15.1168605059919 | etot = -14.6249037419673 -771000 ekin = 0.251070223471186 | erot = 0.245606888556646 | epot = -15.1215808540782 | etot = -14.6249037420504 -772000 ekin = 0.268985032794879 | erot = 0.236650197272996 | epot = -15.1305389722379 | etot = -14.62490374217 -773000 ekin = 0.287649902235825 | erot = 0.229335047808992 | epot = -15.1418886923345 | etot = -14.6249037422897 -774000 ekin = 0.304971347443094 | erot = 0.223914516380436 | epot = -15.1537896061991 | etot = -14.6249037423756 -775000 ekin = 0.319422560280909 | erot = 0.220611402281974 | epot = -15.1649377049681 | etot = -14.6249037424052 -776000 ekin = 0.330375903028573 | erot = 0.21963284072128 | epot = -15.1749124861238 | etot = -14.624903742374 -777000 ekin = 0.338182326480891 | erot = 0.221157252264285 | epot = -15.184243321042 | etot = -14.6249037422968 -778000 ekin = 0.343980993504904 | erot = 0.225293639771365 | epot = -15.1941783754794 | etot = -14.6249037422032 -779000 ekin = 0.349294202147107 | erot = 0.232023926336935 | epot = -15.2062218706133 | etot = -14.6249037421292 -780000 ekin = 0.355517983707508 | erot = 0.241146781674954 | epot = -15.2215685074899 | etot = -14.6249037421074 -781000 ekin = 0.363445847501857 | erot = 0.252244149939742 | epot = -15.2405937395992 | etot = -14.6249037421576 -782000 ekin = 0.372957766808644 | erot = 0.264688770757683 | epot = -15.2625502798455 | etot = -14.6249037422792 -783000 ekin = 0.382969267748679 | erot = 0.277702579811651 | epot = -15.2855755900109 | etot = -14.6249037424505 -784000 ekin = 0.391670514066047 | erot = 0.290462881205936 | epot = -15.3070371379042 | etot = -14.6249037426322 -785000 ekin = 0.397003136152503 | erot = 0.30223788282162 | epot = -15.3241447617521 | etot = -14.624903742778 -786000 ekin = 0.397244540913489 | erot = 0.312520082334536 | epot = -15.3346683660962 | etot = -14.6249037428482 -787000 ekin = 0.391525061079608 | erot = 0.321121025638165 | epot = -15.3375498295401 | etot = -14.6249037428223 -788000 ekin = 0.380116514494719 | erot = 0.328198366843703 | epot = -15.3332186240439 | etot = -14.6249037427055 -789000 ekin = 0.364402868103514 | erot = 0.334204933642789 | epot = -15.3235115442733 | etot = -14.624903742527 -790000 ekin = 0.34654788283668 | erot = 0.339772664563971 | epot = -15.3112242897311 | etot = -14.6249037423304 -791000 ekin = 0.328969533927298 | erot = 0.345562661329334 | epot = -15.2994359374173 | etot = -14.6249037421606 -792000 ekin = 0.313783234687856 | erot = 0.352120250332508 | epot = -15.2908072270725 | etot = -14.6249037420521 -793000 ekin = 0.302371973145943 | erot = 0.359769001652795 | epot = -15.2870447168187 | etot = -14.6249037420199 -794000 ekin = 0.295192752069597 | erot = 0.368565036951676 | epot = -15.288661531079 | etot = -14.6249037420577 -795000 ekin = 0.291854072001344 | erot = 0.378316728406861 | epot = -15.2950745425493 | etot = -14.6249037421411 -796000 ekin = 0.291420477240303 | erot = 0.388659220599258 | epot = -15.3049834400759 | etot = -14.6249037422364 -797000 ekin = 0.292835767593939 | erot = 0.39916067791523 | epot = -15.3169001878199 | etot = -14.6249037423108 -798000 ekin = 0.295321690654866 | erot = 0.409429919731993 | epot = -15.329655352731 | etot = -14.6249037423441 -799000 ekin = 0.298615606685225 | erot = 0.41919526946406 | epot = -15.3427146184839 | etot = -14.6249037423347 -800000 ekin = 0.302963113078809 | erot = 0.428333265393227 | epot = -15.3562001207724 | etot = -14.6249037423004 -801000 ekin = 0.30886980741851 | erot = 0.436842111958024 | epot = -15.3706156616477 | etot = -14.6249037422712 -802000 ekin = 0.316711643345927 | erot = 0.444773620895207 | epot = -15.3863890065174 | etot = -14.6249037422763 -803000 ekin = 0.326365730601817 | erot = 0.452151664704948 | epot = -15.4034211376386 | etot = -14.6249037423318 -804000 ekin = 0.337019280357668 | erot = 0.458909057451191 | epot = -15.4208320802431 | etot = -14.6249037424342 -805000 ekin = 0.347244531512514 | erot = 0.464865921885975 | epot = -15.4370141959586 | etot = -14.6249037425601 -806000 ekin = 0.355321558015248 | erot = 0.469755825323994 | epot = -15.4499811260149 | etot = -14.6249037426756 -807000 ekin = 0.359699244804389 | erot = 0.47328839989947 | epot = -15.4578913874509 | etot = -14.624903742747 -808000 ekin = 0.359442919436746 | erot = 0.475225772200574 | epot = -15.4595724343886 | etot = -14.6249037427513 -809000 ekin = 0.354532149710961 | erot = 0.475448148012512 | epot = -15.454884040406 | etot = -14.6249037426825 -810000 ekin = 0.345927121515436 | erot = 0.473990365430211 | epot = -15.4448212294985 | etot = -14.6249037425528 -811000 ekin = 0.335391497319453 | erot = 0.471042355239708 | epot = -15.4313375949476 | etot = -14.6249037423884 -812000 ekin = 0.325122479809057 | erot = 0.466917662639856 | epot = -15.416943884672 | etot = -14.6249037422231 -813000 ekin = 0.31728183261798 | erot = 0.462001954840949 | epot = -15.4041875295485 | etot = -14.6249037420896 -814000 ekin = 0.313538689250887 | erot = 0.456696276151244 | epot = -15.3951387074148 | etot = -14.6249037420127 -815000 ekin = 0.314725301426621 | erot = 0.451368238943233 | epot = -15.3909972823742 | etot = -14.6249037420043 -816000 ekin = 0.320674745952002 | erot = 0.446320054204494 | epot = -15.3918985422185 | etot = -14.624903742062 -817000 ekin = 0.330264402529528 | erot = 0.441777145069773 | epot = -15.3969452897695 | etot = -14.6249037421702 -818000 ekin = 0.341643112115936 | erot = 0.437896324121525 | epot = -15.404443178542 | etot = -14.6249037423045 -819000 ekin = 0.352584467965967 | erot = 0.43478868897098 | epot = -15.4122768993742 | etot = -14.6249037424372 -820000 ekin = 0.360890006680921 | erot = 0.432549774286878 | epot = -15.4183435235106 | etot = -14.6249037425428 -821000 ekin = 0.364764924967774 | erot = 0.431288293594747 | epot = -15.4209569611646 | etot = -14.624903742602 -822000 ekin = 0.36310132304895 | erot = 0.431144612410167 | epot = -15.419149678065 | etot = -14.6249037426059 -823000 ekin = 0.355627506072524 | erot = 0.432293079211457 | epot = -15.4128243278395 | etot = -14.6249037425555 -824000 ekin = 0.342909508000251 | erot = 0.43492611819946 | epot = -15.4027393686613 | etot = -14.6249037424616 -825000 ekin = 0.326218347991422 | erot = 0.439222871855163 | epot = -15.3903449621884 | etot = -14.6249037423418 -826000 ekin = 0.307298067027383 | erot = 0.445309293137298 | epot = -15.3775111023813 | etot = -14.6249037422166 -827000 ekin = 0.288081469810276 | erot = 0.453218819733682 | epot = -15.3662040316499 | etot = -14.6249037421059 -828000 ekin = 0.270403517644502 | erot = 0.462862712071626 | epot = -15.358169971742 | etot = -14.6249037420259 -829000 ekin = 0.255756724313645 | erot = 0.474017347276416 | epot = -15.354677813577 | etot = -14.624903741987 -830000 ekin = 0.245120383539843 | erot = 0.486332016594477 | epot = -15.3563561421264 | etot = -14.6249037419921 -831000 ekin = 0.238883956789448 | erot = 0.499357971990473 | epot = -15.3631456708169 | etot = -14.624903742037 -832000 ekin = 0.236868645662797 | erot = 0.512595315428093 | epot = -15.3743677032021 | etot = -14.6249037421112 -833000 ekin = 0.238435989568506 | erot = 0.525550909043033 | epot = -15.3888906408115 | etot = -14.6249037421999 -834000 ekin = 0.242658569127625 | erot = 0.537797737790879 | epot = -15.405360049206 | etot = -14.6249037422875 -835000 ekin = 0.248518315375854 | erot = 0.549024910270133 | epot = -15.4224469680061 | etot = -14.6249037423601 -836000 ekin = 0.255095050222772 | erot = 0.559068449138662 | epot = -15.4390672417693 | etot = -14.6249037424078 -837000 ekin = 0.261712817640357 | erot = 0.567916383628495 | epot = -15.4545329436954 | etot = -14.6249037424265 -838000 ekin = 0.268023056778553 | erot = 0.575686784519793 | epot = -15.4686135837165 | etot = -14.6249037424181 -839000 ekin = 0.27401827032314 | erot = 0.582582979367263 | epot = -15.4815049920797 | etot = -14.6249037423893 -840000 ekin = 0.279983100774025 | erot = 0.588834754839967 | epot = -15.4937215979637 | etot = -14.6249037423497 -841000 ekin = 0.286398274628728 | erot = 0.59463702433131 | epot = -15.5059390412703 | etot = -14.6249037423103 -842000 ekin = 0.293816650983536 | erot = 0.600098453281003 | epot = -15.5188188465462 | etot = -14.6249037422817 -843000 ekin = 0.302726774569486 | erot = 0.605208920749049 | epot = -15.5328394375911 | etot = -14.6249037422726 -844000 ekin = 0.313421069061172 | erot = 0.609833296485301 | epot = -15.5481581078353 | etot = -14.6249037422889 -845000 ekin = 0.325887895394733 | erot = 0.613733577818912 | epot = -15.5645252155452 | etot = -14.6249037423315 -846000 ekin = 0.339752400962196 | erot = 0.616615984720894 | epot = -15.5812721280789 | etot = -14.6249037423958 -847000 ekin = 0.354292335348444 | erot = 0.61819407953295 | epot = -15.5973901573525 | etot = -14.6249037424711 -848000 ekin = 0.368542667423182 | erot = 0.618254639142345 | epot = -15.6117010491079 | etot = -14.6249037425423 -849000 ekin = 0.381474241843926 | erot = 0.616711095273524 | epot = -15.6230890797115 | etot = -14.6249037425941 -850000 ekin = 0.392198266661771 | erot = 0.613631554979492 | epot = -15.6307335642567 | etot = -14.6249037426155 -851000 ekin = 0.40012936773711 | erot = 0.609234588535909 | epot = -15.6342676988772 | etot = -14.6249037426042 -852000 ekin = 0.405049998797733 | erot = 0.603854451146916 | epot = -15.633808192512 | etot = -14.6249037425674 -853000 ekin = 0.407056563941561 | erot = 0.597885334648249 | epot = -15.6298456411086 | etot = -14.6249037425187 -854000 ekin = 0.406415158938748 | erot = 0.591718979210661 | epot = -15.6230378806227 | etot = -14.6249037424733 -855000 ekin = 0.403390043512858 | erot = 0.585690332509252 | epot = -15.6139841184645 | etot = -14.6249037424423 -856000 ekin = 0.398116166002726 | erot = 0.580042463525136 | epot = -15.6030623719571 | etot = -14.6249037424293 -857000 ekin = 0.390568016159967 | erot = 0.574915889724967 | epot = -15.5903876483136 | etot = -14.6249037424286 -858000 ekin = 0.380638245096081 | erot = 0.570361176880736 | epot = -15.5759031644054 | etot = -14.6249037424286 -859000 ekin = 0.368297168914653 | erot = 0.566367903415377 | epot = -15.5595688147452 | etot = -14.6249037424151 -860000 ekin = 0.353771484486348 | erot = 0.56289933566704 | epot = -15.5415745625316 | etot = -14.6249037423782 -861000 ekin = 0.337668189076058 | erot = 0.55992119051608 | epot = -15.522493121908 | etot = -14.6249037423159 -862000 ekin = 0.320982687534733 | erot = 0.55741511441171 | epot = -15.5033015441828 | etot = -14.6249037422364 -863000 ekin = 0.304965814691443 | erot = 0.555372641472256 | epot = -15.4852421983211 | etot = -14.6249037421574 -864000 ekin = 0.290872653003623 | erot = 0.553772082573975 | epot = -15.4695484776774 | etot = -14.6249037420998 -865000 ekin = 0.279660774249956 | erot = 0.552546988655193 | epot = -15.4571115049878 | etot = -14.6249037420826 -866000 ekin = 0.271730646599716 | erot = 0.551558423386406 | epot = -15.448192812101 | etot = -14.6249037421149 -867000 ekin = 0.266795961580917 | erot = 0.550582916186157 | epot = -15.44228261996 | etot = -14.624903742193 -868000 ekin = 0.263936467175858 | erot = 0.549323573880104 | epot = -15.4381637833559 | etot = -14.6249037422999 -869000 ekin = 0.261831470221839 | erot = 0.547444696243376 | epot = -15.4341799088748 | etot = -14.6249037424095 -870000 ekin = 0.259116433169107 | erot = 0.544622620095519 | epot = -15.4286427957584 | etot = -14.6249037424938 -871000 ekin = 0.25476611341807 | erot = 0.540599894777859 | epot = -15.4202697507262 | etot = -14.6249037425303 -872000 ekin = 0.248397230690975 | erot = 0.535228153627688 | epot = -15.4085291268279 | etot = -14.6249037425092 -873000 ekin = 0.240403953825284 | erot = 0.528487826572668 | epot = -15.3937955228335 | etot = -14.6249037424356 -874000 ekin = 0.23188412578265 | erot = 0.52047931782111 | epot = -15.3772671859324 | etot = -14.6249037423286 -875000 ekin = 0.224371090312889 | erot = 0.51138848970078 | epot = -15.3606633222303 | etot = -14.6249037422166 -876000 ekin = 0.219440883379249 | erot = 0.501436812694071 | epot = -15.3457814382023 | etot = -14.624903742129 -877000 ekin = 0.218302972735591 | erot = 0.490831150818216 | epot = -15.3340378656416 | etot = -14.6249037420878 -878000 ekin = 0.221492456262699 | erot = 0.479728387736622 | epot = -15.3261245861005 | etot = -14.6249037421012 -879000 ekin = 0.228756262274367 | erot = 0.468225594693664 | epot = -15.3218855991281 | etot = -14.6249037421601 -880000 ekin = 0.239169160088235 | erot = 0.456378166082075 | epot = -15.3204510684122 | etot = -14.6249037422419 -881000 ekin = 0.251443176614178 | erot = 0.444238659512956 | epot = -15.3205855784449 | etot = -14.6249037423178 -882000 ekin = 0.264330844663498 | erot = 0.431901289695958 | epot = -15.3211358767212 | etot = -14.6249037423617 -883000 ekin = 0.276992343361542 | erot = 0.419534292632451 | epot = -15.3214303783535 | etot = -14.6249037423595 -884000 ekin = 0.289210952362652 | erot = 0.407386172192625 | epot = -15.321500866868 | etot = -14.6249037423127 -885000 ekin = 0.301394205510712 | erot = 0.395760928443729 | epot = -15.3220588761924 | etot = -14.6249037422379 -886000 ekin = 0.314368599205627 | erot = 0.384968165379708 | epot = -15.3242405067466 | etot = -14.6249037421612 -887000 ekin = 0.329038341775269 | erot = 0.375262338090432 | epot = -15.3292044219761 | etot = -14.6249037421104 -888000 ekin = 0.3460151111552 | erot = 0.366788650327974 | epot = -15.337707503589 | etot = -14.6249037421058 -889000 ekin = 0.365329693883301 | erot = 0.359550947377142 | epot = -15.3497843834163 | etot = -14.6249037421559 -890000 ekin = 0.386310696217007 | erot = 0.353410826837943 | epot = -15.364625265308 | etot = -14.6249037422531 -891000 ekin = 0.40766808705505 | erot = 0.348119126036606 | epot = -15.3806909554677 | etot = -14.624903742376 -892000 ekin = 0.427761236103282 | erot = 0.343372786941987 | epot = -15.3960377655415 | etot = -14.6249037424963 -893000 ekin = 0.444977236019449 | erot = 0.33888352569265 | epot = -15.4087645042971 | etot = -14.624903742585 -894000 ekin = 0.458112158680458 | erot = 0.334441343917185 | epot = -15.4174572452192 | etot = -14.6249037426215 -895000 ekin = 0.466648008331883 | erot = 0.329956933565113 | epot = -15.4215086844963 | etot = -14.6249037425993 -896000 ekin = 0.470850232519732 | erot = 0.325472374552551 | epot = -15.4212263495988 | etot = -14.6249037425265 -897000 ekin = 0.471664510488006 | erot = 0.321137893833118 | epot = -15.4177061467451 | etot = -14.624903742424 -898000 ekin = 0.470447771985807 | erot = 0.317161282107798 | epot = -15.4125127964124 | etot = -14.6249037423188 -899000 ekin = 0.468609320535655 | erot = 0.313743247831532 | epot = -15.407256310605 | etot = -14.6249037422378 -900000 ekin = 0.467255363896805 | erot = 0.311015004595507 | epot = -15.403174110693 | etot = -14.6249037422007 -901000 ekin = 0.466923299456955 | erot = 0.308993431077898 | epot = -15.4008204727509 | etot = -14.624903742216 -902000 ekin = 0.467466399705958 | erot = 0.307564919774008 | epot = -15.3999350617591 | etot = -14.6249037422791 -903000 ekin = 0.468112799245358 | erot = 0.306502589385531 | epot = -15.3995191310034 | etot = -14.6249037423725 -904000 ekin = 0.467682260080958 | erot = 0.305513914729679 | epot = -15.398099917282 | etot = -14.6249037424714 -905000 ekin = 0.464906903208091 | erot = 0.304308207539486 | epot = -15.3941188532968 | etot = -14.6249037425492 -906000 ekin = 0.458775313350218 | erot = 0.302667437698602 | epot = -15.386346493633 | etot = -14.6249037425842 -907000 ekin = 0.448811106797068 | erot = 0.300501710925682 | epot = -15.3742165602888 | etot = -14.624903742566 -908000 ekin = 0.435212888278286 | erot = 0.297873922704326 | epot = -15.3579905534802 | etot = -14.6249037424976 -909000 ekin = 0.418821166578994 | erot = 0.294986492955548 | epot = -15.338711401929 | etot = -14.6249037423944 -910000 ekin = 0.400928155652122 | erot = 0.292134043124749 | epot = -15.3179659410565 | etot = -14.6249037422796 -911000 ekin = 0.382990731318649 | erot = 0.289635345607696 | epot = -15.2975298191034 | etot = -14.6249037421771 -912000 ekin = 0.366329155569864 | erot = 0.28776245704618 | epot = -15.2789953547216 | etot = -14.6249037421055 -913000 ekin = 0.351888443631227 | erot = 0.286683662572629 | epot = -15.2634758482788 | etot = -14.624903742075 -914000 ekin = 0.340111462795541 | erot = 0.286431278414487 | epot = -15.2514464832954 | etot = -14.6249037420854 -915000 ekin = 0.330936398540049 | erot = 0.286898247267082 | epot = -15.2427383879356 | etot = -14.6249037421284 -916000 ekin = 0.323899271601486 | erot = 0.287861143478391 | epot = -15.2366641572706 | etot = -14.6249037421907 -917000 ekin = 0.318302399047232 | erot = 0.289022784865087 | epot = -15.2322289261691 | etot = -14.6249037422568 -918000 ekin = 0.313403328231463 | erot = 0.290065205370856 | epot = -15.2283722759152 | etot = -14.6249037423129 -919000 ekin = 0.308582994046901 | erot = 0.290702987753991 | epot = -15.2241897241499 | etot = -14.624903742349 -920000 ekin = 0.303462620954368 | erot = 0.290727692025052 | epot = -15.2190940553399 | etot = -14.6249037423605 -921000 ekin = 0.297952758522196 | erot = 0.290036267627498 | epot = -15.2128927684978 | etot = -14.6249037423481 -922000 ekin = 0.29223232916649 | erot = 0.28863969692327 | epot = -15.2057757684075 | etot = -14.6249037423178 -923000 ekin = 0.286668877937277 | erot = 0.286652137103424 | epot = -15.1982247573193 | etot = -14.6249037422786 -924000 ekin = 0.28170186865761 | erot = 0.28426466875578 | epot = -15.1908702796539 | etot = -14.6249037422405 -925000 ekin = 0.277717553237222 | erot = 0.281710557645316 | epot = -15.1843318530947 | etot = -14.6249037422121 -926000 ekin = 0.274945509178671 | erot = 0.279230091666927 | epot = -15.1790793430443 | etot = -14.6249037421988 -927000 ekin = 0.273402631519431 | erot = 0.277042382113437 | epot = -15.1753487558338 | etot = -14.624903742201 -928000 ekin = 0.272900230271358 | erot = 0.275329232545622 | epot = -15.1731332050314 | etot = -14.6249037422144 -929000 ekin = 0.273115271901108 | erot = 0.274232799537457 | epot = -15.1722518136694 | etot = -14.6249037422308 -930000 ekin = 0.273710515356084 | erot = 0.273865029644295 | epot = -15.1724792872405 | etot = -14.6249037422402 -931000 ekin = 0.274474107140427 | erot = 0.274323617229163 | epot = -15.1737014666035 | etot = -14.6249037422339 -932000 ekin = 0.275440857683932 | erot = 0.275707340217243 | epot = -15.1760519401082 | etot = -14.624903742207 -933000 ekin = 0.276957575782685 | erot = 0.278123705988738 | epot = -15.1799850239326 | etot = -14.6249037421612 -934000 ekin = 0.279664435384645 | erot = 0.281683992543778 | epot = -15.186252170033 | etot = -14.6249037421046 -935000 ekin = 0.284382433297568 | erot = 0.286484503522986 | epot = -15.1957706788719 | etot = -14.6249037420513 -936000 ekin = 0.291920557580458 | erot = 0.292577187598382 | epot = -15.2094014871973 | etot = -14.6249037420184 -937000 ekin = 0.302840159170039 | erot = 0.299936553990847 | epot = -15.2276804551831 | etot = -14.6249037420222 -938000 ekin = 0.317231541763436 | erot = 0.308432066638964 | epot = -15.2505673504756 | etot = -14.6249037420732 -939000 ekin = 0.334562734704465 | erot = 0.317815317270747 | epot = -15.277281794148 | etot = -14.6249037421728 -940000 ekin = 0.35364952180483 | erot = 0.327729086105148 | epot = -15.3062823502215 | etot = -14.6249037423115 -941000 ekin = 0.372770367646405 | erot = 0.337741122003473 | epot = -15.3354152321199 | etot = -14.62490374247 -942000 ekin = 0.389915662531244 | erot = 0.34739974979893 | epot = -15.3622191549524 | etot = -14.6249037426222 -943000 ekin = 0.403126345738701 | erot = 0.356302369933728 | epot = -15.3843324584131 | etot = -14.6249037427407 -944000 ekin = 0.410851754405684 | erot = 0.364163156178504 | epot = -15.3999186533874 | etot = -14.6249037428032 -945000 ekin = 0.41224792095984 | erot = 0.370864511414023 | epot = -15.4080161751712 | etot = -14.6249037427973 -946000 ekin = 0.407348747779498 | erot = 0.376479254456982 | epot = -15.4087317449601 | etot = -14.6249037427236 -947000 ekin = 0.397071124216324 | erot = 0.381256899558077 | epot = -15.4032317663699 | etot = -14.6249037425955 -948000 ekin = 0.38305345572573 | erot = 0.385576026490354 | epot = -15.3935332246524 | etot = -14.6249037424363 -949000 ekin = 0.367364810069699 | erot = 0.389872987608877 | epot = -15.3821415399525 | etot = -14.624903742274 -950000 ekin = 0.352149150210297 | erot = 0.394562514442363 | epot = -15.3716154067876 | etot = -14.6249037421349 -951000 ekin = 0.339280178142264 | erot = 0.399966938640697 | epot = -15.364150858822 | etot = -14.6249037420391 -952000 ekin = 0.330096120378427 | erot = 0.406268489131276 | epot = -15.3612683515059 | etot = -14.6249037419962 -953000 ekin = 0.32526183166892 | erot = 0.413492937870355 | epot = -15.3636585115441 | etot = -14.6249037420048 -954000 ekin = 0.324774911928697 | erot = 0.421526046052984 | epot = -15.3712047000353 | etot = -14.6249037420537 -955000 ekin = 0.328098170458837 | erot = 0.430156858160225 | epot = -15.3831587707443 | etot = -14.6249037421253 -956000 ekin = 0.334370903123397 | erot = 0.439135698167057 | epot = -15.3984103434923 | etot = -14.6249037422019 -957000 ekin = 0.342633913360124 | erot = 0.44823123979963 | epot = -15.4157688954295 | etot = -14.6249037422697 -958000 ekin = 0.352004139469675 | erot = 0.457271615168161 | epot = -15.4341794969606 | etot = -14.6249037423228 -959000 ekin = 0.361755395785515 | erot = 0.466159587644429 | epot = -15.4528187257936 | etot = -14.6249037423637 -960000 ekin = 0.37129634840351 | erot = 0.474860087933521 | epot = -15.4710601787381 | etot = -14.624903742401 -961000 ekin = 0.380073790913227 | erot = 0.483367158176183 | epot = -15.4883446915346 | etot = -14.6249037424452 -962000 ekin = 0.387455548951145 | erot = 0.491663490522134 | epot = -15.5040227819764 | etot = -14.6249037425031 -963000 ekin = 0.392654097313064 | erot = 0.499687295633833 | epot = -15.5172451355218 | etot = -14.6249037425749 -964000 ekin = 0.394737939560465 | erot = 0.507318071997362 | epot = -15.52695975421 | etot = -14.6249037426522 -965000 ekin = 0.392748486468401 | erot = 0.514386334668901 | epot = -15.5320385638565 | etot = -14.6249037427192 -966000 ekin = 0.385905473254046 | erot = 0.520705106529118 | epot = -15.5315143225403 | etot = -14.6249037427571 -967000 ekin = 0.373852021646475 | erot = 0.526114369236053 | epot = -15.5248701336312 | etot = -14.6249037427486 -968000 ekin = 0.356869417136842 | erot = 0.530525868586128 | epot = -15.5122990284073 | etot = -14.6249037426844 -969000 ekin = 0.335986889835165 | erot = 0.533955228285004 | epot = -15.4948458606873 | etot = -14.6249037425671 -970000 ekin = 0.312927788673001 | erot = 0.536531428462375 | epot = -15.4743629595488 | etot = -14.6249037424134 -971000 ekin = 0.289872105907279 | erot = 0.538479668129898 | epot = -15.4532555162884 | etot = -14.6249037422512 -972000 ekin = 0.269070232406882 | erot = 0.5400808983618 | epot = -15.4340548728819 | etot = -14.6249037421133 -973000 ekin = 0.252397022945549 | erot = 0.54161782723096 | epot = -15.4189185922049 | etot = -14.6249037420284 -974000 ekin = 0.240964852822479 | erot = 0.543321042151966 | epot = -15.4091896369876 | etot = -14.6249037420132 -975000 ekin = 0.23490216482404 | erot = 0.545328986458525 | epot = -15.4051348933507 | etot = -14.6249037420682 -976000 ekin = 0.233353466621782 | erot = 0.547671994179659 | epot = -15.4059292029795 | etot = -14.6249037421781 -977000 ekin = 0.234692201089083 | erot = 0.550284513866881 | epot = -15.4098804572724 | etot = -14.6249037423164 -978000 ekin = 0.236887903180263 | erot = 0.553043053342472 | epot = -15.4148346989741 | etot = -14.6249037424514 -979000 ekin = 0.237945797131594 | erot = 0.555821040963433 | epot = -15.4186705806471 | etot = -14.6249037425521 -980000 ekin = 0.236334546963168 | erot = 0.558547250125055 | epot = -15.4197855396823 | etot = -14.6249037425941 -981000 ekin = 0.231322843924042 | erot = 0.561252158432646 | epot = -15.4174787449221 | etot = -14.6249037425654 -982000 ekin = 0.223154169544533 | erot = 0.564087592074629 | epot = -15.4121455040889 | etot = -14.6249037424697 -983000 ekin = 0.213008719539339 | erot = 0.567310103886669 | epot = -15.4052225657532 | etot = -14.6249037423272 -984000 ekin = 0.202740628548441 | erot = 0.571227590062575 | epot = -15.3988719607827 | etot = -14.6249037421716 -985000 ekin = 0.194435665154694 | erot = 0.576119771487871 | epot = -15.3954591786846 | etot = -14.624903742042 -986000 ekin = 0.189894304519126 | erot = 0.58215285815263 | epot = -15.3969509046435 | etot = -14.6249037419717 -987000 ekin = 0.190182835424942 | erot = 0.589313613953793 | epot = -15.4044001913571 | etot = -14.6249037419783 -988000 ekin = 0.195390213187374 | erot = 0.597385005524008 | epot = -15.4176789607685 | etot = -14.6249037420571 -989000 ekin = 0.204671362362343 | erot = 0.605974905403727 | epot = -15.4355500099486 | etot = -14.6249037421825 -990000 ekin = 0.216563394578633 | erot = 0.614593273597528 | epot = -15.4560604104923 | etot = -14.6249037423162 -991000 ekin = 0.229465191861939 | erot = 0.622757127490605 | epot = -15.477126061773 | etot = -14.6249037424204 -992000 ekin = 0.24211427112869 | erot = 0.630092599916922 | epot = -15.4971106135161 | etot = -14.6249037424704 -993000 ekin = 0.253902581479766 | erot = 0.636403793831493 | epot = -15.5152101177725 | etot = -14.6249037424612 -994000 ekin = 0.264939510335544 | erot = 0.641689105047928 | epot = -15.5315323577914 | etot = -14.6249037424079 -995000 ekin = 0.275864888578878 | erot = 0.646102898208469 | epot = -15.5468715291258 | etot = -14.6249037423384 -996000 ekin = 0.287497820769962 | erot = 0.649877086441122 | epot = -15.562278649495 | etot = -14.6249037422839 -997000 ekin = 0.300450307467282 | erot = 0.653227423573226 | epot = -15.578581473309 | etot = -14.6249037422685 -998000 ekin = 0.314829914377661 | erot = 0.656270894957595 | epot = -15.5960045516386 | etot = -14.6249037423033 -999000 ekin = 0.330110494517446 | erot = 0.658973630822486 | epot = -15.613987867725 | etot = -14.6249037423851 -1000000 ekin = 0.345190458651126 | erot = 0.66113833946702 | epot = -15.6312325406162 | etot = -14.624903742498 - 1000000 0.025569664 -1.5839232 0.020799898 -1.5286042 -3.5789082e-06 -Loop time of 17.6535 on 4 procs for 1000000 steps with 10 atoms - -Performance: 48942.073 tau/day, 56645.918 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 | 0.58208 | 6.2309 | 11.391 | 182.5 | 35.30 -Bond | 0.087981 | 0.28429 | 0.45668 | 28.3 | 1.61 -Neigh | 0 | 0 | 0 | 0.0 | 0.00 -Comm | 1.8415 | 2.1564 | 2.4456 | 17.3 | 12.21 -Output | 1.5e-05 | 2.275e-05 | 2.6e-05 | 0.0 | 0.00 -Modify | 0.1751 | 0.91094 | 1.6034 | 60.5 | 5.16 -Other | | 8.071 | | | 45.72 - -Nlocal: 2.5 ave 5.0 max 0.0 min -Histogram: 1 0 1 0 0 0 0 0 1 1 -Nghost: 7.5 ave 10.0 max 5.0 min -Histogram: 1 0 1 0 0 0 0 0 1 1 -Neighs: 16.0 ave 30.0 max 0.0 min -Histogram: 1 0 1 0 0 0 0 0 1 1 - -Total # of neighbors = 64 -Ave neighs/atom = 6.4 -Ave special neighs/atom = 3.6 -Neighbor list builds = 0 -Dangerous builds = 0 - -#write_restart config.${number}.* -Total wall time: 0:00:17 diff --git a/examples/PACKAGES/cgdna/examples/oxDNA2/unique_bp/data.duplex4.4type b/examples/PACKAGES/cgdna/examples/oxDNA2/unique_bp/data.duplex4.4type index a8412eef07..7145f65137 100644 --- a/examples/PACKAGES/cgdna/examples/oxDNA2/unique_bp/data.duplex4.4type +++ b/examples/PACKAGES/cgdna/examples/oxDNA2/unique_bp/data.duplex4.4type @@ -1,130 +1,132 @@ -# LAMMPS data file +LAMMPS data file via write_data, version 27 May 2021 + 26 atoms -26 ellipsoids -24 bonds - 4 atom types +24 bonds 1 bond types +26 ellipsoids -# System size --20.000000 20.000000 xlo xhi --20.000000 20.000000 ylo yhi --20.000000 20.000000 zlo zhi +-20 20 xlo xhi +-20 20 ylo yhi +-20 20 zlo zhi -# Atom-ID, type, position, molecule-ID, ellipsoid flag, density -Atoms +Masses -1 1 -6.000000000000001e-01 0.000000000000000e+00 0.000000000000000e+00 1 1 1 -2 2 -4.957432645895970e-01 -3.379920348381733e-01 3.897628551303122e-01 1 1 1 -3 3 -2.192046146198370e-01 -5.585242491865227e-01 7.795257102606244e-01 1 1 1 -4 4 1.335125603737887e-01 -5.849567473090943e-01 1.169288565390937e+00 1 1 1 -5 1 4.398311230978960e-01 -4.081036426625517e-01 1.559051420521249e+00 1 1 1 -6 2 5.932984957350773e-01 -8.942535970570469e-02 1.948814275651561e+00 1 1 1 -7 3 5.405813207414517e-01 2.603302434705350e-01 2.338577130781873e+00 1 1 1 -8 4 3.000000000000002e-01 5.196152422706634e-01 2.728339985912185e+00 1 1 1 -9 1 -4.483805615185452e-02 5.983222783087083e-01 3.118102841042497e+00 1 1 1 -10 2 -3.740938811152403e-01 4.690988894808181e-01 3.507865696172809e+00 1 1 1 -11 3 -5.733436834716847e-01 1.768531046465427e-01 3.897628551303121e+00 1 1 1 -12 4 -5.733436834716849e-01 -1.768531046465427e-01 4.287391406433434e+00 1 1 1 -13 1 -3.740938811152403e-01 -4.690988894808182e-01 4.677154261563746e+00 1 1 1 -14 4 3.740938811152403e-01 4.690988894808182e-01 4.677154261563746e+00 2 1 1 -15 1 5.733436834716849e-01 1.768531046465427e-01 4.287391406433434e+00 2 1 1 -16 2 5.733436834716849e-01 -1.768531046465426e-01 3.897628551303122e+00 2 1 1 -17 3 3.740938811152403e-01 -4.690988894808181e-01 3.507865696172810e+00 2 1 1 -18 4 4.483805615185462e-02 -5.983222783087085e-01 3.118102841042498e+00 2 1 1 -19 1 -3.000000000000003e-01 -5.196152422706636e-01 2.728339985912186e+00 2 1 1 -20 2 -5.405813207414519e-01 -2.603302434705351e-01 2.338577130781874e+00 2 1 1 -21 3 -5.932984957350776e-01 8.942535970570474e-02 1.948814275651561e+00 2 1 1 -22 4 -4.398311230978962e-01 4.081036426625520e-01 1.559051420521249e+00 2 1 1 -23 1 -1.335125603737888e-01 5.849567473090947e-01 1.169288565390937e+00 2 1 1 -24 2 2.192046146198373e-01 5.585242491865231e-01 7.795257102606246e-01 2 1 1 -25 3 4.957432645895974e-01 3.379920348381736e-01 3.897628551303123e-01 2 1 1 -26 4 6.000000000000006e-01 0.000000000000000e+00 1.110223024625157e-16 2 1 1 +1 3.1575 +2 3.1575 +3 3.1575 +4 3.1575 + +Atoms # hybrid + +1 1 -0.5974293795290144 -0.47217734566783476 0.1149860099192362 1 1 3.7269849963023267 0 0 0 +2 2 -0.3607975285447209 -0.8084200276362509 0.5005631273908187 1 1 3.7269849963023267 0 0 0 +3 3 -0.1880165420620915 -0.9339012982528754 0.9372222930006777 1 1 3.7269849963023267 0 0 0 +4 4 0.18789028377909187 -0.8807473585891459 1.3080750447260532 1 1 3.7269849963023267 0 0 0 +5 1 0.46680288593900887 -0.6314504249974493 1.6544618495816525 1 1 3.7269849963023267 0 0 0 +6 2 0.6156490001978658 -0.24344915610488765 1.9998398114466447 1 1 3.7269849963023267 0 0 0 +7 3 0.5475869309223161 0.10633006738807783 2.395688109397028 1 1 3.7269849963023267 0 0 0 +8 4 0.3964561058464781 0.33864915662119616 2.855380256681012 1 1 3.7269849963023267 0 0 0 +9 1 0.09151778690925949 0.33572177117709545 3.2793107140407853 1 1 3.7269849963023267 0 0 0 +10 2 -0.260700239272384 0.23452584272483473 3.622064753017485 1 1 3.7269849963023267 0 0 0 +11 3 -0.44049173083867876 -0.04240311520575983 4.057361772274168 1 1 3.7269849963023267 0 0 0 +12 4 -0.48111471327910416 -0.3913669550617015 4.465217350523367 1 1 3.7269849963023267 0 0 0 +13 1 -0.3029890593292223 -0.6218232516387349 4.889919411438907 1 1 3.7269849963023267 0 0 0 +14 4 0.36538593166250877 0.467104033114044 4.885957202043727 2 1 3.7269849963023267 0 0 0 +15 1 0.5837256243756591 0.1432569770282543 4.587937684834979 2 1 3.7269849963023267 0 0 0 +16 2 0.7270895848434721 -0.21648156960230241 4.19127441749994 2 1 3.7269849963023267 0 0 0 +17 3 0.5694364623788377 -0.5971020505771416 3.7905394408535833 2 1 3.7269849963023267 0 0 0 +18 4 0.32183479629572403 -0.7826674384502239 3.3981789941001397 2 1 3.7269849963023267 0 0 0 +19 1 0.027943077828669855 -0.8173952163019756 2.892497591992246 2 1 3.7269849963023267 0 0 0 +20 2 -0.34389471043742403 -0.6801076538339801 2.6010059142333977 2 1 3.7269849963023267 0 0 0 +21 3 -0.5722337592890715 -0.31543771192866543 2.2496367888009035 2 1 3.7269849963023267 0 0 0 +22 4 -0.5243059431454682 -0.018794840926191582 1.6669602274961965 2 1 3.7269849963023267 0 0 0 +23 1 -0.4467049661654279 0.15318137385858244 1.1669311078565738 2 1 3.7269849963023267 0 0 0 +24 2 -0.04279541944801792 0.24071675674438053 0.7924196804793574 2 1 3.7269849963023267 0 0 0 +25 3 0.33688934798342335 0.1390449738629785 0.42004977704361546 2 1 3.7269849963023267 0 0 0 +26 4 0.5381606093378432 -0.28366941895261566 0.04905784853961178 2 1 3.7269849963023267 0 0 0 -# Atom-ID, translational, rotational velocity Velocities -1 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 -2 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 -3 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 -4 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 -5 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 -6 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 -7 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 -8 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 -9 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 -10 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 -11 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 -12 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 -13 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 -14 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 -15 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 -16 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 -17 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 -18 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 -19 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 -20 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 -21 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 -22 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 -23 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 -24 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 -25 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 -26 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 +1 -0.1420563695014878 -0.2339928257547227 0.1871716305399088 -0.046333854442252194 0.08160574816172744 0.2791824603833533 +2 0.03390382747481304 0.2912921705525512 -0.1828986721885175 0.09422531767061365 -0.044398236946770545 0.011069519340877812 +3 0.05351747745964457 -0.3700026678535097 -0.01469442373794632 0.10875858697088675 0.2373869034785703 0.15028498953263314 +4 0.1107696836820372 0.012571134739153464 0.23554381030898286 0.11411649786729211 -0.23899527406990237 0.11196343804383825 +5 0.21949033826324368 -0.4153000294565104 0.18426481814713022 0.2497206165366295 0.2505624077277829 -0.35347918243093 +6 -0.24019769428878804 -0.16423570219236758 -0.003762466815720382 0.062008045889015595 0.22340307597010978 -0.38223196779931135 +7 0.12372477399377596 0.10393016373901434 0.08008946447311854 -0.15063203100274558 0.08544129561789665 -0.3233996805084572 +8 0.03216353270652909 -0.1291938805451393 0.1736283537356162 -0.17577447248216746 0.11132849782859955 -0.13659117762014125 +9 0.016485625003622013 0.01204732455105311 0.012268845318149781 -0.10829791072979295 0.1325154323216732 0.061321711941405295 +10 -0.10017034720683878 -0.09274368063499111 0.0712704971413183 -0.08539556363371427 -0.10194584018083674 0.12395163271335013 +11 0.1553620769751766 -0.017877616757193807 -0.1679552227127468 -0.11302061465460307 0.10833285249943261 -0.29004856929349787 +12 -0.25308607960176693 0.05651778438229357 -0.28293751231512154 0.08875447438401544 -0.0424858854741496 0.4807657704475166 +13 -0.006525152792083277 0.05278468067247092 0.0923614993309851 -0.17068957621149589 -0.21396827821680875 -0.22336174340467796 +14 -0.09024428084565417 0.19407821508904713 -0.27279958154128003 0.16579397498898726 0.05605196163049078 0.18139063086724955 +15 0.2329539015603435 0.08926675461196792 0.01755751945261716 0.14895763843533014 0.05566424996653055 0.038429304115211504 +16 -0.012766107314323394 -0.05870276075293287 0.22459362070331024 -0.051898555487544795 0.11349183901118838 -0.35625338947479507 +17 -0.20400754456760709 -0.43178141581578006 -0.05213026263746946 -0.16561150375144387 -0.08257869123336893 -0.31368221607714253 +18 0.26408469209202234 0.004101215813165573 -0.11409222616552296 -0.37751548716793587 0.021230702354981583 0.23218952685038605 +19 -0.2811352347889802 0.25474603468997514 0.0038005485218010606 0.2164466860189806 -0.3924452117278991 0.22754829879548555 +20 -0.34129793271588454 0.05074672818229578 -0.03388446943745919 -0.1368254010552013 -0.1547809974693013 -0.03266259795645136 +21 -0.25700758391191114 0.04693154859703793 0.08362546455733241 -0.08661574368141227 -0.030723569920460755 -0.18740437515161282 +22 0.08529314327765061 0.10662056255177826 -0.0742729015142829 -0.4671828719407557 -0.19246067344838313 0.20137866804242557 +23 -0.09337250162399305 -0.1907111010034805 0.19278254253312255 0.017795209772695803 -0.36506106427644847 0.24972052729172167 +24 -0.16063305395742022 0.12278800901705311 0.0513923554335936 -0.09716260028970423 -0.26401680055506943 0.08202659665577536 +25 -0.14736287972598905 0.09699085150412592 -0.20751532907712478 0.05612191742480806 -0.13929212905625324 0.034890079586931765 +26 -0.060417626533246734 0.35551862988152244 -0.19673503245092067 0.014766691426271806 0.02762183997756995 -0.20597323908506235 -# Atom-ID, shape, quaternion -Ellipsoids - -1 1.173984503142341e+00 1.173984503142341e+00 1.173984503142341e+00 1.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 -2 1.173984503142341e+00 1.173984503142341e+00 1.173984503142341e+00 9.555728057861408e-01 0.000000000000000e+00 0.000000000000000e+00 2.947551744109042e-01 -3 1.173984503142341e+00 1.173984503142341e+00 1.173984503142341e+00 8.262387743159949e-01 0.000000000000000e+00 0.000000000000000e+00 5.633200580636221e-01 -4 1.173984503142341e+00 1.173984503142341e+00 1.173984503142341e+00 6.234898018587335e-01 0.000000000000000e+00 0.000000000000000e+00 7.818314824680299e-01 -5 1.173984503142341e+00 1.173984503142341e+00 1.173984503142341e+00 3.653410243663950e-01 0.000000000000000e+00 0.000000000000000e+00 9.308737486442042e-01 -6 1.173984503142341e+00 1.173984503142341e+00 1.173984503142341e+00 7.473009358642424e-02 0.000000000000000e+00 0.000000000000000e+00 9.972037971811802e-01 -7 1.173984503142341e+00 1.173984503142341e+00 1.173984503142341e+00 -2.225209339563144e-01 0.000000000000000e+00 0.000000000000000e+00 9.749279121818237e-01 -8 1.173984503142341e+00 1.173984503142341e+00 1.173984503142341e+00 -5.000000000000001e-01 0.000000000000000e+00 0.000000000000000e+00 8.660254037844387e-01 -9 1.173984503142341e+00 1.173984503142341e+00 1.173984503142341e+00 7.330518718298263e-01 -0.000000000000000e+00 0.000000000000000e+00 -6.801727377709196e-01 -10 1.173984503142341e+00 1.173984503142341e+00 1.173984503142341e+00 9.009688679024190e-01 -0.000000000000000e+00 0.000000000000000e+00 -4.338837391175581e-01 -11 1.173984503142341e+00 1.173984503142341e+00 1.173984503142341e+00 9.888308262251286e-01 -0.000000000000000e+00 0.000000000000000e+00 -1.490422661761745e-01 -12 1.173984503142341e+00 1.173984503142341e+00 1.173984503142341e+00 9.888308262251286e-01 0.000000000000000e+00 0.000000000000000e+00 1.490422661761745e-01 -13 1.173984503142341e+00 1.173984503142341e+00 1.173984503142341e+00 9.009688679024190e-01 0.000000000000000e+00 0.000000000000000e+00 4.338837391175582e-01 -14 1.173984503142341e+00 1.173984503142341e+00 1.173984503142341e+00 0.000000000000000e+00 -4.338837391175582e-01 9.009688679024190e-01 0.000000000000000e+00 -15 1.173984503142341e+00 1.173984503142341e+00 1.173984503142341e+00 -0.000000000000000e+00 -1.490422661761746e-01 9.888308262251286e-01 0.000000000000000e+00 -16 1.173984503142341e+00 1.173984503142341e+00 1.173984503142341e+00 -0.000000000000000e+00 1.490422661761745e-01 9.888308262251286e-01 -0.000000000000000e+00 -17 1.173984503142341e+00 1.173984503142341e+00 1.173984503142341e+00 -0.000000000000000e+00 4.338837391175581e-01 9.009688679024190e-01 -0.000000000000000e+00 -18 1.173984503142341e+00 1.173984503142341e+00 1.173984503142341e+00 0.000000000000000e+00 6.801727377709192e-01 7.330518718298267e-01 0.000000000000000e+00 -19 1.173984503142341e+00 1.173984503142341e+00 1.173984503142341e+00 0.000000000000000e+00 8.660254037844386e-01 5.000000000000001e-01 0.000000000000000e+00 -20 1.173984503142341e+00 1.173984503142341e+00 1.173984503142341e+00 0.000000000000000e+00 9.749279121818235e-01 2.225209339563145e-01 0.000000000000000e+00 -21 1.173984503142341e+00 1.173984503142341e+00 1.173984503142341e+00 0.000000000000000e+00 9.972037971811801e-01 -7.473009358642428e-02 0.000000000000000e+00 -22 1.173984503142341e+00 1.173984503142341e+00 1.173984503142341e+00 0.000000000000000e+00 9.308737486442041e-01 -3.653410243663952e-01 0.000000000000000e+00 -23 1.173984503142341e+00 1.173984503142341e+00 1.173984503142341e+00 0.000000000000000e+00 7.818314824680296e-01 -6.234898018587339e-01 0.000000000000000e+00 -24 1.173984503142341e+00 1.173984503142341e+00 1.173984503142341e+00 0.000000000000000e+00 5.633200580636215e-01 -8.262387743159952e-01 0.000000000000000e+00 -25 1.173984503142341e+00 1.173984503142341e+00 1.173984503142341e+00 -0.000000000000000e+00 -2.947551744109044e-01 9.555728057861407e-01 0.000000000000000e+00 -26 1.173984503142341e+00 1.173984503142341e+00 1.173984503142341e+00 -0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e+00 -0.000000000000000e+00 - -# Bond topology Bonds -1 1 1 2 -2 1 2 3 -3 1 3 4 -4 1 4 5 -5 1 5 6 -6 1 6 7 -7 1 7 8 -8 1 8 9 -9 1 9 10 -10 1 10 11 -11 1 11 12 -12 1 12 13 -13 1 14 15 -14 1 15 16 -15 1 16 17 -16 1 17 18 -17 1 18 19 -18 1 19 20 -19 1 20 21 -20 1 21 22 -21 1 22 23 -22 1 23 24 -23 1 24 25 -24 1 25 26 +1 1 1 2 +2 1 2 3 +3 1 3 4 +4 1 4 5 +5 1 5 6 +6 1 6 7 +7 1 7 8 +8 1 8 9 +9 1 9 10 +10 1 10 11 +11 1 11 12 +12 1 12 13 +13 1 14 15 +14 1 15 16 +15 1 16 17 +16 1 17 18 +17 1 18 19 +18 1 19 20 +19 1 20 21 +20 1 21 22 +21 1 22 23 +22 1 23 24 +23 1 24 25 +24 1 25 26 + +Ellipsoids + +1 1.173984503142341 1.173984503142341 1.173984503142341 0.9970278940278272 0.0014876174054512252 0.0750547523448584 0.017319055267040844 +2 1.173984503142341 1.173984503142341 1.173984503142341 0.9059171712388804 0.007913225291438054 0.04634256838354512 0.42083705406683053 +3 1.173984503142341 1.173984503142341 1.173984503142341 0.7657426991864452 0.028071560533125216 0.13224385975981257 0.6287779160305484 +4 1.173984503142341 1.173984503142341 1.173984503142341 0.5238981696613685 0.0516703526741727 0.1609645534282743 0.8348360887142046 +5 1.173984503142341 1.173984503142341 1.173984503142341 0.30973290897949424 0.0750672191209306 0.23962885621884192 0.9170651279902646 +6 1.173984503142341 1.173984503142341 1.173984503142341 -0.050269263744563454 0.08142241031464711 0.09584085715741358 0.9907865170259763 +7 1.173984503142341 1.173984503142341 1.173984503142341 -0.3805122714271814 0.08965734720629535 0.057827749665601925 0.9186010683391725 +8 1.173984503142341 1.173984503142341 1.173984503142341 -0.6066322463100545 0.015286960797006149 0.035984536832974555 0.7940206166563465 +9 1.173984503142341 1.173984503142341 1.173984503142341 0.771660293819677 0.02607541526374929 -0.08047223278265907 -0.6303845520092687 +10 1.173984503142341 1.173984503142341 1.173984503142341 0.9119628434851113 0.03686258000931541 -0.11017000132786052 -0.3934812487336936 +11 1.173984503142341 1.173984503142341 1.173984503142341 0.9917294290821066 0.05835078551401739 -0.08073737536574405 -0.08092837290732445 +12 1.173984503142341 1.173984503142341 1.173984503142341 0.9763527785523285 0.06753089597617556 0.004847281702108697 0.205307899901351 +13 1.173984503142341 1.173984503142341 1.173984503142341 0.8553397145502984 0.1399133966151149 0.07233200118835512 0.49354462388392356 +14 1.173984503142341 1.173984503142341 1.173984503142341 0.014416326682630282 -0.533642571147991 0.8442695396252617 0.04718813669228716 +15 1.173984503142341 1.173984503142341 1.173984503142341 0.14095892784917538 -0.2201285495070387 0.9406003462562982 -0.21666792788520955 +16 1.173984503142341 1.173984503142341 1.173984503142341 0.07323967796304806 0.05035907488974361 0.963136526452943 -0.2539053850556888 +17 1.173984503142341 1.173984503142341 1.173984503142341 0.030254986187638885 0.39195467212588947 0.9164794947567249 -0.07430684019611289 +18 1.173984503142341 1.173984503142341 1.173984503142341 -0.03080283760241768 0.6526511470205414 0.7481495879677094 -0.11562810865943304 +19 1.173984503142341 1.173984503142341 1.173984503142341 -0.09450197979153381 0.7469150592813072 0.6556128255138505 -0.0579576833217777 +20 1.173984503142341 1.173984503142341 1.173984503142341 -0.12903334341475137 0.9222523214328698 0.3501336268694509 -0.10103214950765672 +21 1.173984503142341 1.173984503142341 1.173984503142341 -0.0069954457806870336 0.9888131084284681 -0.09413955816471489 -0.11548785185859346 +22 1.173984503142341 1.173984503142341 1.173984503142341 0.029336230851923526 0.9805894852440379 -0.19236800606724952 -0.02404573205262194 +23 1.173984503142341 1.173984503142341 1.173984503142341 0.03080980270092377 0.872234086776475 -0.4869211139732921 0.03415088124407873 +24 1.173984503142341 1.173984503142341 1.173984503142341 0.007237815450514786 0.690265186998662 -0.7210993183911308 0.05913847022922672 +25 1.173984503142341 1.173984503142341 1.173984503142341 0.06694683426684143 -0.46894411325316443 0.8712038661029582 -0.12889283810247346 +26 1.173984503142341 1.173984503142341 1.173984503142341 0.07581973147109407 -0.10215114654759445 0.9759556607577902 -0.17699451916228467 diff --git a/examples/PACKAGES/cgdna/examples/oxDNA2/unique_bp/data.duplex4.8type b/examples/PACKAGES/cgdna/examples/oxDNA2/unique_bp/data.duplex4.8type index b4d622ac46..a71ba9c32f 100644 --- a/examples/PACKAGES/cgdna/examples/oxDNA2/unique_bp/data.duplex4.8type +++ b/examples/PACKAGES/cgdna/examples/oxDNA2/unique_bp/data.duplex4.8type @@ -1,130 +1,136 @@ -# LAMMPS data file +LAMMPS data file via write_data, version 27 May 2021 + 26 atoms -26 ellipsoids -24 bonds - 8 atom types +24 bonds 1 bond types +26 ellipsoids -# System size --20.000000 20.000000 xlo xhi --20.000000 20.000000 ylo yhi --20.000000 20.000000 zlo zhi +-20 20 xlo xhi +-20 20 ylo yhi +-20 20 zlo zhi -# Atom-ID, type, position, molecule-ID, ellipsoid flag, density -Atoms +Masses -1 1 -6.000000000000001e-01 0.000000000000000e+00 0.000000000000000e+00 1 1 1 -2 2 -4.957432645895970e-01 -3.379920348381733e-01 3.897628551303122e-01 1 1 1 -3 3 -2.192046146198370e-01 -5.585242491865227e-01 7.795257102606244e-01 1 1 1 -4 4 1.335125603737887e-01 -5.849567473090943e-01 1.169288565390937e+00 1 1 1 -5 5 4.398311230978960e-01 -4.081036426625517e-01 1.559051420521249e+00 1 1 1 -6 6 5.932984957350773e-01 -8.942535970570469e-02 1.948814275651561e+00 1 1 1 -7 7 5.405813207414517e-01 2.603302434705350e-01 2.338577130781873e+00 1 1 1 -8 8 3.000000000000002e-01 5.196152422706634e-01 2.728339985912185e+00 1 1 1 -9 1 -4.483805615185452e-02 5.983222783087083e-01 3.118102841042497e+00 1 1 1 -10 2 -3.740938811152403e-01 4.690988894808181e-01 3.507865696172809e+00 1 1 1 -11 7 -5.733436834716847e-01 1.768531046465427e-01 3.897628551303121e+00 1 1 1 -12 8 -5.733436834716849e-01 -1.768531046465427e-01 4.287391406433434e+00 1 1 1 -13 1 -3.740938811152403e-01 -4.690988894808182e-01 4.677154261563746e+00 1 1 1 -14 4 3.740938811152403e-01 4.690988894808182e-01 4.677154261563746e+00 2 1 1 -15 5 5.733436834716849e-01 1.768531046465427e-01 4.287391406433434e+00 2 1 1 -16 6 5.733436834716849e-01 -1.768531046465426e-01 3.897628551303122e+00 2 1 1 -17 3 3.740938811152403e-01 -4.690988894808181e-01 3.507865696172810e+00 2 1 1 -18 4 4.483805615185462e-02 -5.983222783087085e-01 3.118102841042498e+00 2 1 1 -19 5 -3.000000000000003e-01 -5.196152422706636e-01 2.728339985912186e+00 2 1 1 -20 6 -5.405813207414519e-01 -2.603302434705351e-01 2.338577130781874e+00 2 1 1 -21 7 -5.932984957350776e-01 8.942535970570474e-02 1.948814275651561e+00 2 1 1 -22 8 -4.398311230978962e-01 4.081036426625520e-01 1.559051420521249e+00 2 1 1 -23 1 -1.335125603737888e-01 5.849567473090947e-01 1.169288565390937e+00 2 1 1 -24 2 2.192046146198373e-01 5.585242491865231e-01 7.795257102606246e-01 2 1 1 -25 3 4.957432645895974e-01 3.379920348381736e-01 3.897628551303123e-01 2 1 1 -26 4 6.000000000000006e-01 0.000000000000000e+00 1.110223024625157e-16 2 1 1 +1 3.1575 +2 3.1575 +3 3.1575 +4 3.1575 +5 3.1575 +6 3.1575 +7 3.1575 +8 3.1575 + +Atoms # hybrid + +1 1 -0.5974293795290144 -0.47217734566783476 0.1149860099192362 1 1 3.7269849963023267 0 0 0 +2 2 -0.3607975285447209 -0.8084200276362509 0.5005631273908187 1 1 3.7269849963023267 0 0 0 +3 3 -0.1880165420620915 -0.9339012982528754 0.9372222930006777 1 1 3.7269849963023267 0 0 0 +4 4 0.18789028377909187 -0.8807473585891459 1.3080750447260532 1 1 3.7269849963023267 0 0 0 +5 5 0.46680288593900887 -0.6314504249974493 1.6544618495816525 1 1 3.7269849963023267 0 0 0 +6 6 0.6156490001978658 -0.24344915610488765 1.9998398114466447 1 1 3.7269849963023267 0 0 0 +7 7 0.5475869309223161 0.10633006738807783 2.395688109397028 1 1 3.7269849963023267 0 0 0 +8 8 0.3964561058464781 0.33864915662119616 2.855380256681012 1 1 3.7269849963023267 0 0 0 +9 1 0.09151778690925949 0.33572177117709545 3.2793107140407853 1 1 3.7269849963023267 0 0 0 +10 2 -0.260700239272384 0.23452584272483473 3.622064753017485 1 1 3.7269849963023267 0 0 0 +11 7 -0.44049173083867876 -0.04240311520575983 4.057361772274168 1 1 3.7269849963023267 0 0 0 +12 8 -0.48111471327910416 -0.3913669550617015 4.465217350523367 1 1 3.7269849963023267 0 0 0 +13 1 -0.3029890593292223 -0.6218232516387349 4.889919411438907 1 1 3.7269849963023267 0 0 0 +14 4 0.36538593166250877 0.467104033114044 4.885957202043727 2 1 3.7269849963023267 0 0 0 +15 5 0.5837256243756591 0.1432569770282543 4.587937684834979 2 1 3.7269849963023267 0 0 0 +16 6 0.7270895848434721 -0.21648156960230241 4.19127441749994 2 1 3.7269849963023267 0 0 0 +17 3 0.5694364623788377 -0.5971020505771416 3.7905394408535833 2 1 3.7269849963023267 0 0 0 +18 4 0.32183479629572403 -0.7826674384502239 3.3981789941001397 2 1 3.7269849963023267 0 0 0 +19 5 0.027943077828669855 -0.8173952163019756 2.892497591992246 2 1 3.7269849963023267 0 0 0 +20 6 -0.34389471043742403 -0.6801076538339801 2.6010059142333977 2 1 3.7269849963023267 0 0 0 +21 7 -0.5722337592890715 -0.31543771192866543 2.2496367888009035 2 1 3.7269849963023267 0 0 0 +22 8 -0.5243059431454682 -0.018794840926191582 1.6669602274961965 2 1 3.7269849963023267 0 0 0 +23 1 -0.4467049661654279 0.15318137385858244 1.1669311078565738 2 1 3.7269849963023267 0 0 0 +24 2 -0.04279541944801792 0.24071675674438053 0.7924196804793574 2 1 3.7269849963023267 0 0 0 +25 3 0.33688934798342335 0.1390449738629785 0.42004977704361546 2 1 3.7269849963023267 0 0 0 +26 4 0.5381606093378432 -0.28366941895261566 0.04905784853961178 2 1 3.7269849963023267 0 0 0 -# Atom-ID, translational, rotational velocity Velocities -1 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 -2 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 -3 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 -4 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 -5 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 -6 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 -7 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 -8 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 -9 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 -10 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 -11 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 -12 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 -13 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 -14 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 -15 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 -16 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 -17 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 -18 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 -19 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 -20 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 -21 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 -22 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 -23 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 -24 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 -25 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 -26 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 +1 -0.1420563695014878 -0.2339928257547227 0.1871716305399088 -0.046333854442252194 0.08160574816172744 0.2791824603833533 +2 0.03390382747481304 0.2912921705525512 -0.1828986721885175 0.09422531767061365 -0.044398236946770545 0.011069519340877812 +3 0.05351747745964457 -0.3700026678535097 -0.01469442373794632 0.10875858697088675 0.2373869034785703 0.15028498953263314 +4 0.1107696836820372 0.012571134739153464 0.23554381030898286 0.11411649786729211 -0.23899527406990237 0.11196343804383825 +5 0.21949033826324368 -0.4153000294565104 0.18426481814713022 0.2497206165366295 0.2505624077277829 -0.35347918243093 +6 -0.24019769428878804 -0.16423570219236758 -0.003762466815720382 0.062008045889015595 0.22340307597010978 -0.38223196779931135 +7 0.12372477399377596 0.10393016373901434 0.08008946447311854 -0.15063203100274558 0.08544129561789665 -0.3233996805084572 +8 0.03216353270652909 -0.1291938805451393 0.1736283537356162 -0.17577447248216746 0.11132849782859955 -0.13659117762014125 +9 0.016485625003622013 0.01204732455105311 0.012268845318149781 -0.10829791072979295 0.1325154323216732 0.061321711941405295 +10 -0.10017034720683878 -0.09274368063499111 0.0712704971413183 -0.08539556363371427 -0.10194584018083674 0.12395163271335013 +11 0.1553620769751766 -0.017877616757193807 -0.1679552227127468 -0.11302061465460307 0.10833285249943261 -0.29004856929349787 +12 -0.25308607960176693 0.05651778438229357 -0.28293751231512154 0.08875447438401544 -0.0424858854741496 0.4807657704475166 +13 -0.006525152792083277 0.05278468067247092 0.0923614993309851 -0.17068957621149589 -0.21396827821680875 -0.22336174340467796 +14 -0.09024428084565417 0.19407821508904713 -0.27279958154128003 0.16579397498898726 0.05605196163049078 0.18139063086724955 +15 0.2329539015603435 0.08926675461196792 0.01755751945261716 0.14895763843533014 0.05566424996653055 0.038429304115211504 +16 -0.012766107314323394 -0.05870276075293287 0.22459362070331024 -0.051898555487544795 0.11349183901118838 -0.35625338947479507 +17 -0.20400754456760709 -0.43178141581578006 -0.05213026263746946 -0.16561150375144387 -0.08257869123336893 -0.31368221607714253 +18 0.26408469209202234 0.004101215813165573 -0.11409222616552296 -0.37751548716793587 0.021230702354981583 0.23218952685038605 +19 -0.2811352347889802 0.25474603468997514 0.0038005485218010606 0.2164466860189806 -0.3924452117278991 0.22754829879548555 +20 -0.34129793271588454 0.05074672818229578 -0.03388446943745919 -0.1368254010552013 -0.1547809974693013 -0.03266259795645136 +21 -0.25700758391191114 0.04693154859703793 0.08362546455733241 -0.08661574368141227 -0.030723569920460755 -0.18740437515161282 +22 0.08529314327765061 0.10662056255177826 -0.0742729015142829 -0.4671828719407557 -0.19246067344838313 0.20137866804242557 +23 -0.09337250162399305 -0.1907111010034805 0.19278254253312255 0.017795209772695803 -0.36506106427644847 0.24972052729172167 +24 -0.16063305395742022 0.12278800901705311 0.0513923554335936 -0.09716260028970423 -0.26401680055506943 0.08202659665577536 +25 -0.14736287972598905 0.09699085150412592 -0.20751532907712478 0.05612191742480806 -0.13929212905625324 0.034890079586931765 +26 -0.060417626533246734 0.35551862988152244 -0.19673503245092067 0.014766691426271806 0.02762183997756995 -0.20597323908506235 -# Atom-ID, shape, quaternion -Ellipsoids - -1 1.173984503142341e+00 1.173984503142341e+00 1.173984503142341e+00 1.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 -2 1.173984503142341e+00 1.173984503142341e+00 1.173984503142341e+00 9.555728057861408e-01 0.000000000000000e+00 0.000000000000000e+00 2.947551744109042e-01 -3 1.173984503142341e+00 1.173984503142341e+00 1.173984503142341e+00 8.262387743159949e-01 0.000000000000000e+00 0.000000000000000e+00 5.633200580636221e-01 -4 1.173984503142341e+00 1.173984503142341e+00 1.173984503142341e+00 6.234898018587335e-01 0.000000000000000e+00 0.000000000000000e+00 7.818314824680299e-01 -5 1.173984503142341e+00 1.173984503142341e+00 1.173984503142341e+00 3.653410243663950e-01 0.000000000000000e+00 0.000000000000000e+00 9.308737486442042e-01 -6 1.173984503142341e+00 1.173984503142341e+00 1.173984503142341e+00 7.473009358642424e-02 0.000000000000000e+00 0.000000000000000e+00 9.972037971811802e-01 -7 1.173984503142341e+00 1.173984503142341e+00 1.173984503142341e+00 -2.225209339563144e-01 0.000000000000000e+00 0.000000000000000e+00 9.749279121818237e-01 -8 1.173984503142341e+00 1.173984503142341e+00 1.173984503142341e+00 -5.000000000000001e-01 0.000000000000000e+00 0.000000000000000e+00 8.660254037844387e-01 -9 1.173984503142341e+00 1.173984503142341e+00 1.173984503142341e+00 7.330518718298263e-01 -0.000000000000000e+00 0.000000000000000e+00 -6.801727377709196e-01 -10 1.173984503142341e+00 1.173984503142341e+00 1.173984503142341e+00 9.009688679024190e-01 -0.000000000000000e+00 0.000000000000000e+00 -4.338837391175581e-01 -11 1.173984503142341e+00 1.173984503142341e+00 1.173984503142341e+00 9.888308262251286e-01 -0.000000000000000e+00 0.000000000000000e+00 -1.490422661761745e-01 -12 1.173984503142341e+00 1.173984503142341e+00 1.173984503142341e+00 9.888308262251286e-01 0.000000000000000e+00 0.000000000000000e+00 1.490422661761745e-01 -13 1.173984503142341e+00 1.173984503142341e+00 1.173984503142341e+00 9.009688679024190e-01 0.000000000000000e+00 0.000000000000000e+00 4.338837391175582e-01 -14 1.173984503142341e+00 1.173984503142341e+00 1.173984503142341e+00 0.000000000000000e+00 -4.338837391175582e-01 9.009688679024190e-01 0.000000000000000e+00 -15 1.173984503142341e+00 1.173984503142341e+00 1.173984503142341e+00 -0.000000000000000e+00 -1.490422661761746e-01 9.888308262251286e-01 0.000000000000000e+00 -16 1.173984503142341e+00 1.173984503142341e+00 1.173984503142341e+00 -0.000000000000000e+00 1.490422661761745e-01 9.888308262251286e-01 -0.000000000000000e+00 -17 1.173984503142341e+00 1.173984503142341e+00 1.173984503142341e+00 -0.000000000000000e+00 4.338837391175581e-01 9.009688679024190e-01 -0.000000000000000e+00 -18 1.173984503142341e+00 1.173984503142341e+00 1.173984503142341e+00 0.000000000000000e+00 6.801727377709192e-01 7.330518718298267e-01 0.000000000000000e+00 -19 1.173984503142341e+00 1.173984503142341e+00 1.173984503142341e+00 0.000000000000000e+00 8.660254037844386e-01 5.000000000000001e-01 0.000000000000000e+00 -20 1.173984503142341e+00 1.173984503142341e+00 1.173984503142341e+00 0.000000000000000e+00 9.749279121818235e-01 2.225209339563145e-01 0.000000000000000e+00 -21 1.173984503142341e+00 1.173984503142341e+00 1.173984503142341e+00 0.000000000000000e+00 9.972037971811801e-01 -7.473009358642428e-02 0.000000000000000e+00 -22 1.173984503142341e+00 1.173984503142341e+00 1.173984503142341e+00 0.000000000000000e+00 9.308737486442041e-01 -3.653410243663952e-01 0.000000000000000e+00 -23 1.173984503142341e+00 1.173984503142341e+00 1.173984503142341e+00 0.000000000000000e+00 7.818314824680296e-01 -6.234898018587339e-01 0.000000000000000e+00 -24 1.173984503142341e+00 1.173984503142341e+00 1.173984503142341e+00 0.000000000000000e+00 5.633200580636215e-01 -8.262387743159952e-01 0.000000000000000e+00 -25 1.173984503142341e+00 1.173984503142341e+00 1.173984503142341e+00 -0.000000000000000e+00 -2.947551744109044e-01 9.555728057861407e-01 0.000000000000000e+00 -26 1.173984503142341e+00 1.173984503142341e+00 1.173984503142341e+00 -0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e+00 -0.000000000000000e+00 - -# Bond topology Bonds -1 1 1 2 -2 1 2 3 -3 1 3 4 -4 1 4 5 -5 1 5 6 -6 1 6 7 -7 1 7 8 -8 1 8 9 -9 1 9 10 -10 1 10 11 -11 1 11 12 -12 1 12 13 -13 1 14 15 -14 1 15 16 -15 1 16 17 -16 1 17 18 -17 1 18 19 -18 1 19 20 -19 1 20 21 -20 1 21 22 -21 1 22 23 -22 1 23 24 -23 1 24 25 -24 1 25 26 +1 1 1 2 +2 1 2 3 +3 1 3 4 +4 1 4 5 +5 1 5 6 +6 1 6 7 +7 1 7 8 +8 1 8 9 +9 1 9 10 +10 1 10 11 +11 1 11 12 +12 1 12 13 +13 1 14 15 +14 1 15 16 +15 1 16 17 +16 1 17 18 +17 1 18 19 +18 1 19 20 +19 1 20 21 +20 1 21 22 +21 1 22 23 +22 1 23 24 +23 1 24 25 +24 1 25 26 + +Ellipsoids + +1 1.173984503142341 1.173984503142341 1.173984503142341 0.9970278940278272 0.0014876174054512252 0.0750547523448584 0.017319055267040844 +2 1.173984503142341 1.173984503142341 1.173984503142341 0.9059171712388804 0.007913225291438054 0.04634256838354512 0.42083705406683053 +3 1.173984503142341 1.173984503142341 1.173984503142341 0.7657426991864452 0.028071560533125216 0.13224385975981257 0.6287779160305484 +4 1.173984503142341 1.173984503142341 1.173984503142341 0.5238981696613685 0.0516703526741727 0.1609645534282743 0.8348360887142046 +5 1.173984503142341 1.173984503142341 1.173984503142341 0.30973290897949424 0.0750672191209306 0.23962885621884192 0.9170651279902646 +6 1.173984503142341 1.173984503142341 1.173984503142341 -0.050269263744563454 0.08142241031464711 0.09584085715741358 0.9907865170259763 +7 1.173984503142341 1.173984503142341 1.173984503142341 -0.3805122714271814 0.08965734720629535 0.057827749665601925 0.9186010683391725 +8 1.173984503142341 1.173984503142341 1.173984503142341 -0.6066322463100545 0.015286960797006149 0.035984536832974555 0.7940206166563465 +9 1.173984503142341 1.173984503142341 1.173984503142341 0.771660293819677 0.02607541526374929 -0.08047223278265907 -0.6303845520092687 +10 1.173984503142341 1.173984503142341 1.173984503142341 0.9119628434851113 0.03686258000931541 -0.11017000132786052 -0.3934812487336936 +11 1.173984503142341 1.173984503142341 1.173984503142341 0.9917294290821066 0.05835078551401739 -0.08073737536574405 -0.08092837290732445 +12 1.173984503142341 1.173984503142341 1.173984503142341 0.9763527785523285 0.06753089597617556 0.004847281702108697 0.205307899901351 +13 1.173984503142341 1.173984503142341 1.173984503142341 0.8553397145502984 0.1399133966151149 0.07233200118835512 0.49354462388392356 +14 1.173984503142341 1.173984503142341 1.173984503142341 0.014416326682630282 -0.533642571147991 0.8442695396252617 0.04718813669228716 +15 1.173984503142341 1.173984503142341 1.173984503142341 0.14095892784917538 -0.2201285495070387 0.9406003462562982 -0.21666792788520955 +16 1.173984503142341 1.173984503142341 1.173984503142341 0.07323967796304806 0.05035907488974361 0.963136526452943 -0.2539053850556888 +17 1.173984503142341 1.173984503142341 1.173984503142341 0.030254986187638885 0.39195467212588947 0.9164794947567249 -0.07430684019611289 +18 1.173984503142341 1.173984503142341 1.173984503142341 -0.03080283760241768 0.6526511470205414 0.7481495879677094 -0.11562810865943304 +19 1.173984503142341 1.173984503142341 1.173984503142341 -0.09450197979153381 0.7469150592813072 0.6556128255138505 -0.0579576833217777 +20 1.173984503142341 1.173984503142341 1.173984503142341 -0.12903334341475137 0.9222523214328698 0.3501336268694509 -0.10103214950765672 +21 1.173984503142341 1.173984503142341 1.173984503142341 -0.0069954457806870336 0.9888131084284681 -0.09413955816471489 -0.11548785185859346 +22 1.173984503142341 1.173984503142341 1.173984503142341 0.029336230851923526 0.9805894852440379 -0.19236800606724952 -0.02404573205262194 +23 1.173984503142341 1.173984503142341 1.173984503142341 0.03080980270092377 0.872234086776475 -0.4869211139732921 0.03415088124407873 +24 1.173984503142341 1.173984503142341 1.173984503142341 0.007237815450514786 0.690265186998662 -0.7210993183911308 0.05913847022922672 +25 1.173984503142341 1.173984503142341 1.173984503142341 0.06694683426684143 -0.46894411325316443 0.8712038661029582 -0.12889283810247346 +26 1.173984503142341 1.173984503142341 1.173984503142341 0.07581973147109407 -0.10215114654759445 0.9759556607577902 -0.17699451916228467 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 eebc5c6eed..ebbd00c0e2 100644 --- a/examples/PACKAGES/cgdna/examples/oxDNA2/unique_bp/in.duplex4.4type +++ b/examples/PACKAGES/cgdna/examples/oxDNA2/unique_bp/in.duplex4.4type @@ -1,10 +1,11 @@ -variable number equal 1 -variable ofreq equal 10000 -variable efreq equal 10000 +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 @@ -14,20 +15,21 @@ newton off boundary p p p -atom_style hybrid bond ellipsoid +atom_style hybrid bond ellipsoid oxdna atom_modify sort 0 1.0 # Pair interactions require lists of neighbours to be calculated -neighbor 1.0 bin +neighbor 2.0 bin neigh_modify every 10 delay 0 check yes read_data data.duplex4.4type + mass * 3.1575 # sets per-type mass if not in data file set atom * mass 3.1575 # sets per-atom mass group all type 1 4 -# oxDNA bond interactions - FENE backbone +# oxDNA2 bond interactions - FENE backbone bond_style oxdna2/fene bond_coeff * 2.0 0.25 0.7564 special_bonds lj 0 1 1 @@ -52,28 +54,19 @@ 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} 0.2 0.815 +pair_coeff * * oxdna2/dh ${T} ${rhos} 0.815 # Langevin dynamics fix 1 all nve/asphere -fix 2 all langevin ${T} ${T} 25.0 457145 angmom 10 +fix 2 all langevin ${T} ${T} 2.5 457145 angmom 10 -timestep 1e-4 +timestep 1e-5 #comm_style tiled -#fix 3 all balance 10000 1.1 rcb -comm_modify cutoff 2.5 - -#compute mol all chunk/atom molecule -#compute mychunk all vcm/chunk mol -#fix 4 all ave/time 10000 1 10000 c_mychunk[1] c_mychunk[2] c_mychunk[3] file vcm.txt mode vector - -#dump pos all xyz ${ofreq} traj.${number}.xyz +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 -#dump quat all custom ${ofreq} quat.${number}.txt id c_quat[1] c_quat[2] c_quat[3] c_quat[4] -#dump_modify quat sort id -#dump_modify quat format line "%d %13.6le %13.6le %13.6le %13.6le" compute erot all erotate/asphere compute ekin all ke @@ -84,14 +77,10 @@ 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}.txt id mol type x y z ix iy iz c_quat[1] c_quat[2] c_quat[3] c_quat[4] vx vy vz +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 %13.6le %13.6le %13.6le %d %d %d %13.6le %13.6le %13.6le %13.6le %13.6le %13.6le %13.6le " - -#restart 10000 config0_restart config1_restart - -run 100000 - -#write_restart config.${number}.* +dump_modify out format line "%d %d %d %22.15le %22.15le %22.15le %d %d %d %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le" +run 1000000 +write_data last_config.${number}.* nocoeff 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 07d3ffc423..9945dc5366 100644 --- a/examples/PACKAGES/cgdna/examples/oxDNA2/unique_bp/in.duplex4.8type +++ b/examples/PACKAGES/cgdna/examples/oxDNA2/unique_bp/in.duplex4.8type @@ -1,10 +1,11 @@ -variable number equal 1 -variable ofreq equal 10000 -variable efreq equal 10000 +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 @@ -14,20 +15,21 @@ newton off boundary p p p -atom_style hybrid bond ellipsoid +atom_style hybrid bond ellipsoid oxdna atom_modify sort 0 1.0 # Pair interactions require lists of neighbours to be calculated -neighbor 1.0 bin +neighbor 2.0 bin neigh_modify every 10 delay 0 check yes read_data data.duplex4.8type + mass * 3.1575 # sets per-type mass if not in data file set atom * mass 3.1575 # sets per-atom mass group all type 1 8 -# oxDNA bond interactions - FENE backbone +# oxDNA2 bond interactions - FENE backbone bond_style oxdna2/fene bond_coeff * 2.0 0.25 0.7564 special_bonds lj 0 1 1 @@ -52,28 +54,19 @@ 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} 0.2 0.815 +pair_coeff * * oxdna2/dh ${T} ${rhos} 0.815 # Langevin dynamics fix 1 all nve/asphere -fix 2 all langevin ${T} ${T} 25.0 457145 angmom 10 +fix 2 all langevin ${T} ${T} 2.5 457145 angmom 10 -timestep 1e-4 +timestep 1e-5 #comm_style tiled -#fix 3 all balance 10000 1.1 rcb -comm_modify cutoff 2.5 - -#compute mol all chunk/atom molecule -#compute mychunk all vcm/chunk mol -#fix 4 all ave/time 10000 1 10000 c_mychunk[1] c_mychunk[2] c_mychunk[3] file vcm.txt mode vector - -#dump pos all xyz ${ofreq} traj.${number}.xyz +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 -#dump quat all custom ${ofreq} quat.${number}.txt id c_quat[1] c_quat[2] c_quat[3] c_quat[4] -#dump_modify quat sort id -#dump_modify quat format line "%d %13.6le %13.6le %13.6le %13.6le" compute erot all erotate/asphere compute ekin all ke @@ -84,14 +77,10 @@ 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}.txt id mol type x y z ix iy iz c_quat[1] c_quat[2] c_quat[3] c_quat[4] vx vy vz +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 %13.6le %13.6le %13.6le %d %d %d %13.6le %13.6le %13.6le %13.6le %13.6le %13.6le %13.6le " - -#restart 10000 config0_restart config1_restart - -run 100000 - -#write_restart config.${number}.* +dump_modify out format line "%d %d %d %22.15le %22.15le %22.15le %d %d %d %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le %22.15le" +run 1000000 +write_data last_config.${number}.* nocoeff 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 new file mode 100644 index 0000000000..080db1e84f --- /dev/null +++ b/examples/PACKAGES/cgdna/examples/oxDNA2/unique_bp/log.27May21.duplex4.4type.g++1 @@ -0,0 +1,1229 @@ +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 new file mode 100644 index 0000000000..e04e7ab623 --- /dev/null +++ b/examples/PACKAGES/cgdna/examples/oxDNA2/unique_bp/log.27May21.duplex4.4type.g++4 @@ -0,0 +1,1229 @@ +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 new file mode 100644 index 0000000000..64807e1037 --- /dev/null +++ b/examples/PACKAGES/cgdna/examples/oxDNA2/unique_bp/log.27May21.duplex4.8type.g++1 @@ -0,0 +1,1271 @@ +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 new file mode 100644 index 0000000000..2a7b689c6c --- /dev/null +++ b/examples/PACKAGES/cgdna/examples/oxDNA2/unique_bp/log.27May21.duplex4.8type.g++4 @@ -0,0 +1,1271 @@ +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.30Jun20.duplex4.4type.g++1 b/examples/PACKAGES/cgdna/examples/oxDNA2/unique_bp/log.30Jun20.duplex4.4type.g++1 deleted file mode 100644 index 8f9e9b299e..0000000000 --- a/examples/PACKAGES/cgdna/examples/oxDNA2/unique_bp/log.30Jun20.duplex4.4type.g++1 +++ /dev/null @@ -1,244 +0,0 @@ -LAMMPS (30 Jun 2020) -variable number equal 1 -variable ofreq equal 10000 -variable efreq equal 10000 - -variable ntype equal 4 - -variable T equal 0.1 - -units lj - -dimension 3 - -newton off - -boundary p p p - -atom_style hybrid bond ellipsoid -WARNING: Atom_style hybrid defines both pertype and peratom masses - both must be set, only peratom masses will be used (../atom_vec_hybrid.cpp:156) -atom_modify sort 0 1.0 - -# Pair interactions require lists of neighbours to be calculated -neighbor 1.0 bin -neigh_modify every 10 delay 0 check yes - -read_data data.duplex4.4type - orthogonal box = (-20 -20 -20) to (20 20 20) - 1 by 1 by 1 MPI processor grid - reading atoms ... - 26 atoms - reading velocities ... - 26 velocities - 26 ellipsoids - scanning bonds ... - 2 = max bonds/atom - reading bonds ... - 24 bonds - 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 - 26 settings made for mass - -group all type 1 4 -26 atoms in group all - -# oxDNA bond interactions - FENE backbone -bond_style oxdna2/fene -bond_coeff * 2.0 0.25 0.7564 -special_bonds lj 0 1 1 - 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} 0.2 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} 25.0 457145 angmom 10 -fix 2 all langevin 0.1 ${T} 25.0 457145 angmom 10 -fix 2 all langevin 0.1 0.1 25.0 457145 angmom 10 - -timestep 1e-4 - -#comm_style tiled -#fix 3 all balance 10000 1.1 rcb -comm_modify cutoff 2.5 - -#compute mol all chunk/atom molecule -#compute mychunk all vcm/chunk mol -#fix 4 all ave/time 10000 1 10000 c_mychunk[1] c_mychunk[2] c_mychunk[3] file vcm.txt mode vector - -#dump pos all xyz ${ofreq} traj.${number}.xyz - -compute quat all property/atom quatw quati quatj quatk -#dump quat all custom ${ofreq} quat.${number}.txt id c_quat[1] c_quat[2] c_quat[3] c_quat[4] -#dump_modify quat sort id -#dump_modify quat format line "%d %13.6le %13.6le %13.6le %13.6le" - -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 = ${etot}" screen yes -fix 5 all print 10000 "$(step) ekin = ${ekin} | erot = ${erot} | epot = ${epot} | etot = ${etot}" screen yes - -dump out all custom ${ofreq} out.${number}.txt id mol type x y z ix iy iz c_quat[1] c_quat[2] c_quat[3] c_quat[4] vx vy vz -dump out all custom 10000 out.${number}.txt id mol type x y z ix iy iz c_quat[1] c_quat[2] c_quat[3] c_quat[4] vx vy vz -dump out all custom 10000 out.1.txt id mol type x y z ix iy iz c_quat[1] c_quat[2] c_quat[3] c_quat[4] vx vy vz -dump_modify out sort id -dump_modify out format line "%d %d %d %13.6le %13.6le %13.6le %d %d %d %13.6le %13.6le %13.6le %13.6le %13.6le %13.6le %13.6le " - -#restart 10000 config0_restart config1_restart - -run 100000 -Neighbor list info ... - update every 10 steps, delay 0 steps, check yes - max neighbors/atom: 2000, page size: 100000 - master list distance cutoff = 4.6389877 - ghost atom cutoff = 4.6389877 - binsize = 2.3194939, bins = 18 18 18 - 6 neighbor lists, perpetual/occasional/extra = 6 0 0 - (1) pair oxdna2/excv, perpetual - attributes: half, newton off - pair build: half/bin/newtoff - stencil: half/bin/3d/newtoff - bin: standard - (2) pair oxdna2/stk, perpetual, copy from (1) - attributes: half, newton off - pair build: copy - stencil: none - bin: none - (3) pair oxdna2/hbond, perpetual, copy from (1) - attributes: half, newton off - pair build: copy - stencil: none - bin: none - (4) pair oxdna2/xstk, perpetual, copy from (1) - attributes: half, newton off - pair build: copy - stencil: none - bin: none - (5) pair oxdna2/coaxstk, perpetual, copy from (1) - attributes: half, newton off - pair build: copy - stencil: none - bin: none - (6) pair oxdna2/dh, perpetual, copy from (1) - attributes: half, newton off - pair build: copy - stencil: none - bin: none -WARNING: Communication cutoff adjusted to 4.638987723814632 (../comm.cpp:690) -0 ekin = 0 | erot = 0 | epot = -41.6285382417448 | etot = -41.6285382417448 -Per MPI rank memory allocation (min/avg/max) = 9.771 | 9.771 | 9.771 Mbytes -Step Temp E_pair E_mol TotEng Press - 0 0 -1.6384018 0.037304147 -1.6010976 6.7769766e-05 -10000 ekin = 0.876675896491307 | erot = 3.01631310953192 | epot = -43.6949424313443 | etot = -39.8019534253211 -20000 ekin = 1.02178060459022 | erot = 1.54107635735041 | epot = -40.2257383206528 | etot = -37.6628813587121 -30000 ekin = 1.77819697871127 | erot = 2.67180081099997 | epot = -40.9840548186678 | etot = -36.5340570289565 -40000 ekin = 2.55095642638533 | erot = 2.97955929579275 | epot = -40.0756048400153 | etot = -34.5450891178372 -50000 ekin = 2.43321388920862 | erot = 3.63137266285959 | epot = -39.3718897377946 | etot = -33.3073031857264 -60000 ekin = 2.51123200110303 | erot = 3.95693243683571 | epot = -38.8877878920178 | etot = -32.4196234540791 -70000 ekin = 3.33444097207872 | erot = 4.12593683683079 | epot = -38.7679893452499 | etot = -31.3076115363404 -80000 ekin = 3.41969296989344 | erot = 3.46589964095079 | epot = -37.5712487729465 | etot = -30.6856561621023 -90000 ekin = 3.53106755106414 | erot = 3.40955821292295 | epot = -35.9319384430368 | etot = -28.9913126790497 -100000 ekin = 3.47860763041501 | erot = 3.95117534418391 | epot = -37.6128506757402 | etot = -30.1830677011413 - 100000 0.09276287 -1.4972391 0.050590991 -1.3128555 0.00017815014 -Loop time of 7.33046 on 1 procs for 100000 steps with 26 atoms - -Performance: 117864.395 tau/day, 13641.712 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 | 6.4814 | 6.4814 | 6.4814 | 0.0 | 88.42 -Bond | 0.16262 | 0.16262 | 0.16262 | 0.0 | 2.22 -Neigh | 4.2e-05 | 4.2e-05 | 4.2e-05 | 0.0 | 0.00 -Comm | 0.019555 | 0.019555 | 0.019555 | 0.0 | 0.27 -Output | 0.00131 | 0.00131 | 0.00131 | 0.0 | 0.02 -Modify | 0.64596 | 0.64596 | 0.64596 | 0.0 | 8.81 -Other | | 0.01961 | | | 0.27 - -Nlocal: 26.0 ave 26.0 max 26.0 min -Histogram: 1 0 0 0 0 0 0 0 0 0 -Nghost: 0.0 ave 0.0 max 0.0 min -Histogram: 1 0 0 0 0 0 0 0 0 0 -Neighs: 299.0 ave 299.0 max 299.0 min -Histogram: 1 0 0 0 0 0 0 0 0 0 - -Total # of neighbors = 299 -Ave neighs/atom = 11.5 -Ave special neighs/atom = 5.076923076923077 -Neighbor list builds = 2 -Dangerous builds = 0 - -#write_restart config.${number}.* - - -Total wall time: 0:00:07 diff --git a/examples/PACKAGES/cgdna/examples/oxDNA2/unique_bp/log.30Jun20.duplex4.4type.g++4 b/examples/PACKAGES/cgdna/examples/oxDNA2/unique_bp/log.30Jun20.duplex4.4type.g++4 deleted file mode 100644 index ae55b4c3ae..0000000000 --- a/examples/PACKAGES/cgdna/examples/oxDNA2/unique_bp/log.30Jun20.duplex4.4type.g++4 +++ /dev/null @@ -1,244 +0,0 @@ -LAMMPS (30 Jun 2020) -variable number equal 1 -variable ofreq equal 10000 -variable efreq equal 10000 - -variable ntype equal 4 - -variable T equal 0.1 - -units lj - -dimension 3 - -newton off - -boundary p p p - -atom_style hybrid bond ellipsoid -WARNING: Atom_style hybrid defines both pertype and peratom masses - both must be set, only peratom masses will be used (../atom_vec_hybrid.cpp:156) -atom_modify sort 0 1.0 - -# Pair interactions require lists of neighbours to be calculated -neighbor 1.0 bin -neigh_modify every 10 delay 0 check yes - -read_data data.duplex4.4type - orthogonal box = (-20 -20 -20) to (20 20 20) - 1 by 2 by 2 MPI processor grid - reading atoms ... - 26 atoms - reading velocities ... - 26 velocities - 26 ellipsoids - scanning bonds ... - 2 = max bonds/atom - reading bonds ... - 24 bonds - 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 = 0.004 seconds -mass * 3.1575 # sets per-type mass if not in data file -set atom * mass 3.1575 # sets per-atom mass - 26 settings made for mass - -group all type 1 4 -26 atoms in group all - -# oxDNA bond interactions - FENE backbone -bond_style oxdna2/fene -bond_coeff * 2.0 0.25 0.7564 -special_bonds lj 0 1 1 - 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} 0.2 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} 25.0 457145 angmom 10 -fix 2 all langevin 0.1 ${T} 25.0 457145 angmom 10 -fix 2 all langevin 0.1 0.1 25.0 457145 angmom 10 - -timestep 1e-4 - -#comm_style tiled -#fix 3 all balance 10000 1.1 rcb -comm_modify cutoff 2.5 - -#compute mol all chunk/atom molecule -#compute mychunk all vcm/chunk mol -#fix 4 all ave/time 10000 1 10000 c_mychunk[1] c_mychunk[2] c_mychunk[3] file vcm.txt mode vector - -#dump pos all xyz ${ofreq} traj.${number}.xyz - -compute quat all property/atom quatw quati quatj quatk -#dump quat all custom ${ofreq} quat.${number}.txt id c_quat[1] c_quat[2] c_quat[3] c_quat[4] -#dump_modify quat sort id -#dump_modify quat format line "%d %13.6le %13.6le %13.6le %13.6le" - -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 = ${etot}" screen yes -fix 5 all print 10000 "$(step) ekin = ${ekin} | erot = ${erot} | epot = ${epot} | etot = ${etot}" screen yes - -dump out all custom ${ofreq} out.${number}.txt id mol type x y z ix iy iz c_quat[1] c_quat[2] c_quat[3] c_quat[4] vx vy vz -dump out all custom 10000 out.${number}.txt id mol type x y z ix iy iz c_quat[1] c_quat[2] c_quat[3] c_quat[4] vx vy vz -dump out all custom 10000 out.1.txt id mol type x y z ix iy iz c_quat[1] c_quat[2] c_quat[3] c_quat[4] vx vy vz -dump_modify out sort id -dump_modify out format line "%d %d %d %13.6le %13.6le %13.6le %d %d %d %13.6le %13.6le %13.6le %13.6le %13.6le %13.6le %13.6le " - -#restart 10000 config0_restart config1_restart - -run 100000 -Neighbor list info ... - update every 10 steps, delay 0 steps, check yes - max neighbors/atom: 2000, page size: 100000 - master list distance cutoff = 4.6389877 - ghost atom cutoff = 4.6389877 - binsize = 2.3194939, bins = 18 18 18 - 6 neighbor lists, perpetual/occasional/extra = 6 0 0 - (1) pair oxdna2/excv, perpetual - attributes: half, newton off - pair build: half/bin/newtoff - stencil: half/bin/3d/newtoff - bin: standard - (2) pair oxdna2/stk, perpetual, copy from (1) - attributes: half, newton off - pair build: copy - stencil: none - bin: none - (3) pair oxdna2/hbond, perpetual, copy from (1) - attributes: half, newton off - pair build: copy - stencil: none - bin: none - (4) pair oxdna2/xstk, perpetual, copy from (1) - attributes: half, newton off - pair build: copy - stencil: none - bin: none - (5) pair oxdna2/coaxstk, perpetual, copy from (1) - attributes: half, newton off - pair build: copy - stencil: none - bin: none - (6) pair oxdna2/dh, perpetual, copy from (1) - attributes: half, newton off - pair build: copy - stencil: none - bin: none -WARNING: Communication cutoff adjusted to 4.638987723814632 (../comm.cpp:690) -0 ekin = 0 | erot = 0 | epot = -41.6285382417448 | etot = -41.6285382417448 -Per MPI rank memory allocation (min/avg/max) = 9.756 | 9.813 | 9.871 Mbytes -Step Temp E_pair E_mol TotEng Press - 0 0 -1.6384018 0.037304147 -1.6010976 6.7769766e-05 -10000 ekin = 0.705506935391957 | erot = 3.21864563172922 | epot = -44.0640899615318 | etot = -40.1399373944106 -20000 ekin = 1.16547426389222 | erot = 1.69259899672632 | epot = -41.827511978894 | etot = -38.9694387182755 -30000 ekin = 2.07592540045025 | erot = 2.81661265099434 | epot = -41.8258727293348 | etot = -36.9333346778902 -40000 ekin = 3.0352692177735 | erot = 2.43995587980307 | epot = -41.3155342467788 | etot = -35.8403091492022 -50000 ekin = 2.69044710203348 | erot = 2.86176633025683 | epot = -40.5544750556414 | etot = -35.0022616233511 -60000 ekin = 2.90956639769978 | erot = 2.84679944563592 | epot = -39.7474408128141 | etot = -33.9910749694784 -70000 ekin = 1.89941118514544 | erot = 3.71508585194422 | epot = -38.9575890625426 | etot = -33.3430920254529 -80000 ekin = 2.43472912058895 | erot = 3.11589280920166 | epot = -39.844809532279 | etot = -34.2941876024883 -90000 ekin = 2.3759389593227 | erot = 3.25835921096947 | epot = -38.913072246407 | etot = -33.2787740761149 -100000 ekin = 3.23901515322217 | erot = 3.3464944524431 | epot = -38.6302041314432 | etot = -32.044694525778 - 100000 0.086373737 -1.5432369 0.057459797 -1.3611996 7.7958353e-05 -Loop time of 6.09292 on 4 procs for 100000 steps with 26 atoms - -Performance: 141803.976 tau/day, 16412.497 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 | 0.047712 | 2.5625 | 5.2874 | 157.3 | 42.06 -Bond | 0.007398 | 0.053166 | 0.10097 | 19.8 | 0.87 -Neigh | 1.8e-05 | 1.8e-05 | 1.8e-05 | 0.0 | 0.00 -Comm | 0.29205 | 2.9624 | 5.4188 | 143.0 | 48.62 -Output | 0.000866 | 0.00099325 | 0.001303 | 0.0 | 0.02 -Modify | 0.016247 | 0.18354 | 0.37524 | 39.2 | 3.01 -Other | | 0.3303 | | | 5.42 - -Nlocal: 6.5 ave 14.0 max 0.0 min -Histogram: 2 0 0 0 0 0 0 0 1 1 -Nghost: 18.5 ave 24.0 max 12.0 min -Histogram: 1 1 0 0 0 0 0 0 0 2 -Neighs: 113.75 ave 239.0 max 0.0 min -Histogram: 2 0 0 0 0 0 0 0 0 2 - -Total # of neighbors = 455 -Ave neighs/atom = 17.5 -Ave special neighs/atom = 5.076923076923077 -Neighbor list builds = 1 -Dangerous builds = 0 - -#write_restart config.${number}.* - - -Total wall time: 0:00:06 diff --git a/examples/PACKAGES/cgdna/examples/oxDNA2/unique_bp/log.30Jun20.duplex4.8type.g++1 b/examples/PACKAGES/cgdna/examples/oxDNA2/unique_bp/log.30Jun20.duplex4.8type.g++1 deleted file mode 100644 index 023fef7073..0000000000 --- a/examples/PACKAGES/cgdna/examples/oxDNA2/unique_bp/log.30Jun20.duplex4.8type.g++1 +++ /dev/null @@ -1,286 +0,0 @@ -LAMMPS (30 Jun 2020) -variable number equal 1 -variable ofreq equal 10000 -variable efreq equal 10000 - -variable ntype equal 8 - -variable T equal 0.1 - -units lj - -dimension 3 - -newton off - -boundary p p p - -atom_style hybrid bond ellipsoid -WARNING: Atom_style hybrid defines both pertype and peratom masses - both must be set, only peratom masses will be used (../atom_vec_hybrid.cpp:156) -atom_modify sort 0 1.0 - -# Pair interactions require lists of neighbours to be calculated -neighbor 1.0 bin -neigh_modify every 10 delay 0 check yes - -read_data data.duplex4.8type - orthogonal box = (-20 -20 -20) to (20 20 20) - 1 by 1 by 1 MPI processor grid - reading atoms ... - 26 atoms - reading velocities ... - 26 velocities - 26 ellipsoids - scanning bonds ... - 2 = max bonds/atom - reading bonds ... - 24 bonds - 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 = 0.002 seconds -mass * 3.1575 # sets per-type mass if not in data file -set atom * mass 3.1575 # sets per-atom mass - 26 settings made for mass - -group all type 1 8 -26 atoms in group all - -# oxDNA bond interactions - FENE backbone -bond_style oxdna2/fene -bond_coeff * 2.0 0.25 0.7564 -special_bonds lj 0 1 1 - 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} 0.2 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} 25.0 457145 angmom 10 -fix 2 all langevin 0.1 ${T} 25.0 457145 angmom 10 -fix 2 all langevin 0.1 0.1 25.0 457145 angmom 10 - -timestep 1e-4 - -#comm_style tiled -#fix 3 all balance 10000 1.1 rcb -comm_modify cutoff 2.5 - -#compute mol all chunk/atom molecule -#compute mychunk all vcm/chunk mol -#fix 4 all ave/time 10000 1 10000 c_mychunk[1] c_mychunk[2] c_mychunk[3] file vcm.txt mode vector - -#dump pos all xyz ${ofreq} traj.${number}.xyz - -compute quat all property/atom quatw quati quatj quatk -#dump quat all custom ${ofreq} quat.${number}.txt id c_quat[1] c_quat[2] c_quat[3] c_quat[4] -#dump_modify quat sort id -#dump_modify quat format line "%d %13.6le %13.6le %13.6le %13.6le" - -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 = ${etot}" screen yes -fix 5 all print 10000 "$(step) ekin = ${ekin} | erot = ${erot} | epot = ${epot} | etot = ${etot}" screen yes - -dump out all custom ${ofreq} out.${number}.txt id mol type x y z ix iy iz c_quat[1] c_quat[2] c_quat[3] c_quat[4] vx vy vz -dump out all custom 10000 out.${number}.txt id mol type x y z ix iy iz c_quat[1] c_quat[2] c_quat[3] c_quat[4] vx vy vz -dump out all custom 10000 out.1.txt id mol type x y z ix iy iz c_quat[1] c_quat[2] c_quat[3] c_quat[4] vx vy vz -dump_modify out sort id -dump_modify out format line "%d %d %d %13.6le %13.6le %13.6le %d %d %d %13.6le %13.6le %13.6le %13.6le %13.6le %13.6le %13.6le " - -#restart 10000 config0_restart config1_restart - -run 100000 -Neighbor list info ... - update every 10 steps, delay 0 steps, check yes - max neighbors/atom: 2000, page size: 100000 - master list distance cutoff = 4.6389877 - ghost atom cutoff = 4.6389877 - binsize = 2.3194939, bins = 18 18 18 - 6 neighbor lists, perpetual/occasional/extra = 6 0 0 - (1) pair oxdna2/excv, perpetual - attributes: half, newton off - pair build: half/bin/newtoff - stencil: half/bin/3d/newtoff - bin: standard - (2) pair oxdna2/stk, perpetual, copy from (1) - attributes: half, newton off - pair build: copy - stencil: none - bin: none - (3) pair oxdna2/hbond, perpetual, copy from (1) - attributes: half, newton off - pair build: copy - stencil: none - bin: none - (4) pair oxdna2/xstk, perpetual, copy from (1) - attributes: half, newton off - pair build: copy - stencil: none - bin: none - (5) pair oxdna2/coaxstk, perpetual, copy from (1) - attributes: half, newton off - pair build: copy - stencil: none - bin: none - (6) pair oxdna2/dh, perpetual, copy from (1) - attributes: half, newton off - pair build: copy - stencil: none - bin: none -WARNING: Communication cutoff adjusted to 4.638987723814632 (../comm.cpp:690) -0 ekin = 0 | erot = 0 | epot = -41.6285382417448 | etot = -41.6285382417448 -Per MPI rank memory allocation (min/avg/max) = 9.771 | 9.771 | 9.771 Mbytes -Step Temp E_pair E_mol TotEng Press - 0 0 -1.6384018 0.037304147 -1.6010976 6.7769766e-05 -10000 ekin = 0.876675896491307 | erot = 3.01631310953192 | epot = -43.6949424313443 | etot = -39.8019534253211 -20000 ekin = 1.02178060459022 | erot = 1.54107635735041 | epot = -40.2257383206528 | etot = -37.6628813587121 -30000 ekin = 1.77819697871127 | erot = 2.67180081099997 | epot = -40.9840548186678 | etot = -36.5340570289565 -40000 ekin = 2.55095642638533 | erot = 2.97955929579275 | epot = -40.0756048400153 | etot = -34.5450891178372 -50000 ekin = 2.43321388920862 | erot = 3.63137266285959 | epot = -39.3718897377946 | etot = -33.3073031857264 -60000 ekin = 2.51123200110303 | erot = 3.95693243683571 | epot = -38.8877878920178 | etot = -32.4196234540791 -70000 ekin = 3.33444097207872 | erot = 4.12593683683079 | epot = -38.7679893452499 | etot = -31.3076115363404 -80000 ekin = 3.41969296989344 | erot = 3.46589964095079 | epot = -37.5712487729465 | etot = -30.6856561621023 -90000 ekin = 3.53106755106414 | erot = 3.40955821292295 | epot = -35.9319384430368 | etot = -28.9913126790497 -100000 ekin = 3.47860763041501 | erot = 3.95117534418391 | epot = -37.6128506757402 | etot = -30.1830677011413 - 100000 0.09276287 -1.4972391 0.050590991 -1.3128555 0.00017815014 -Loop time of 7.44606 on 1 procs for 100000 steps with 26 atoms - -Performance: 116034.458 tau/day, 13429.914 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 | 6.5843 | 6.5843 | 6.5843 | 0.0 | 88.43 -Bond | 0.16149 | 0.16149 | 0.16149 | 0.0 | 2.17 -Neigh | 4.3e-05 | 4.3e-05 | 4.3e-05 | 0.0 | 0.00 -Comm | 0.022595 | 0.022595 | 0.022595 | 0.0 | 0.30 -Output | 0.001492 | 0.001492 | 0.001492 | 0.0 | 0.02 -Modify | 0.65313 | 0.65313 | 0.65313 | 0.0 | 8.77 -Other | | 0.02299 | | | 0.31 - -Nlocal: 26.0 ave 26.0 max 26.0 min -Histogram: 1 0 0 0 0 0 0 0 0 0 -Nghost: 0.0 ave 0.0 max 0.0 min -Histogram: 1 0 0 0 0 0 0 0 0 0 -Neighs: 299.0 ave 299.0 max 299.0 min -Histogram: 1 0 0 0 0 0 0 0 0 0 - -Total # of neighbors = 299 -Ave neighs/atom = 11.5 -Ave special neighs/atom = 5.076923076923077 -Neighbor list builds = 2 -Dangerous builds = 0 - -#write_restart config.${number}.* - - -Total wall time: 0:00:07 diff --git a/examples/PACKAGES/cgdna/examples/oxDNA2/unique_bp/log.30Jun20.duplex4.8type.g++4 b/examples/PACKAGES/cgdna/examples/oxDNA2/unique_bp/log.30Jun20.duplex4.8type.g++4 deleted file mode 100644 index c8c3f748f9..0000000000 --- a/examples/PACKAGES/cgdna/examples/oxDNA2/unique_bp/log.30Jun20.duplex4.8type.g++4 +++ /dev/null @@ -1,286 +0,0 @@ -LAMMPS (30 Jun 2020) -variable number equal 1 -variable ofreq equal 10000 -variable efreq equal 10000 - -variable ntype equal 8 - -variable T equal 0.1 - -units lj - -dimension 3 - -newton off - -boundary p p p - -atom_style hybrid bond ellipsoid -WARNING: Atom_style hybrid defines both pertype and peratom masses - both must be set, only peratom masses will be used (../atom_vec_hybrid.cpp:156) -atom_modify sort 0 1.0 - -# Pair interactions require lists of neighbours to be calculated -neighbor 1.0 bin -neigh_modify every 10 delay 0 check yes - -read_data data.duplex4.8type - orthogonal box = (-20 -20 -20) to (20 20 20) - 1 by 2 by 2 MPI processor grid - reading atoms ... - 26 atoms - reading velocities ... - 26 velocities - 26 ellipsoids - scanning bonds ... - 2 = max bonds/atom - reading bonds ... - 24 bonds - 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 = 0.004 seconds -mass * 3.1575 # sets per-type mass if not in data file -set atom * mass 3.1575 # sets per-atom mass - 26 settings made for mass - -group all type 1 8 -26 atoms in group all - -# oxDNA bond interactions - FENE backbone -bond_style oxdna2/fene -bond_coeff * 2.0 0.25 0.7564 -special_bonds lj 0 1 1 - 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} 0.2 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} 25.0 457145 angmom 10 -fix 2 all langevin 0.1 ${T} 25.0 457145 angmom 10 -fix 2 all langevin 0.1 0.1 25.0 457145 angmom 10 - -timestep 1e-4 - -#comm_style tiled -#fix 3 all balance 10000 1.1 rcb -comm_modify cutoff 2.5 - -#compute mol all chunk/atom molecule -#compute mychunk all vcm/chunk mol -#fix 4 all ave/time 10000 1 10000 c_mychunk[1] c_mychunk[2] c_mychunk[3] file vcm.txt mode vector - -#dump pos all xyz ${ofreq} traj.${number}.xyz - -compute quat all property/atom quatw quati quatj quatk -#dump quat all custom ${ofreq} quat.${number}.txt id c_quat[1] c_quat[2] c_quat[3] c_quat[4] -#dump_modify quat sort id -#dump_modify quat format line "%d %13.6le %13.6le %13.6le %13.6le" - -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 = ${etot}" screen yes -fix 5 all print 10000 "$(step) ekin = ${ekin} | erot = ${erot} | epot = ${epot} | etot = ${etot}" screen yes - -dump out all custom ${ofreq} out.${number}.txt id mol type x y z ix iy iz c_quat[1] c_quat[2] c_quat[3] c_quat[4] vx vy vz -dump out all custom 10000 out.${number}.txt id mol type x y z ix iy iz c_quat[1] c_quat[2] c_quat[3] c_quat[4] vx vy vz -dump out all custom 10000 out.1.txt id mol type x y z ix iy iz c_quat[1] c_quat[2] c_quat[3] c_quat[4] vx vy vz -dump_modify out sort id -dump_modify out format line "%d %d %d %13.6le %13.6le %13.6le %d %d %d %13.6le %13.6le %13.6le %13.6le %13.6le %13.6le %13.6le " - -#restart 10000 config0_restart config1_restart - -run 100000 -Neighbor list info ... - update every 10 steps, delay 0 steps, check yes - max neighbors/atom: 2000, page size: 100000 - master list distance cutoff = 4.6389877 - ghost atom cutoff = 4.6389877 - binsize = 2.3194939, bins = 18 18 18 - 6 neighbor lists, perpetual/occasional/extra = 6 0 0 - (1) pair oxdna2/excv, perpetual - attributes: half, newton off - pair build: half/bin/newtoff - stencil: half/bin/3d/newtoff - bin: standard - (2) pair oxdna2/stk, perpetual, copy from (1) - attributes: half, newton off - pair build: copy - stencil: none - bin: none - (3) pair oxdna2/hbond, perpetual, copy from (1) - attributes: half, newton off - pair build: copy - stencil: none - bin: none - (4) pair oxdna2/xstk, perpetual, copy from (1) - attributes: half, newton off - pair build: copy - stencil: none - bin: none - (5) pair oxdna2/coaxstk, perpetual, copy from (1) - attributes: half, newton off - pair build: copy - stencil: none - bin: none - (6) pair oxdna2/dh, perpetual, copy from (1) - attributes: half, newton off - pair build: copy - stencil: none - bin: none -WARNING: Communication cutoff adjusted to 4.638987723814632 (../comm.cpp:690) -0 ekin = 0 | erot = 0 | epot = -41.6285382417448 | etot = -41.6285382417448 -Per MPI rank memory allocation (min/avg/max) = 9.756 | 9.813 | 9.871 Mbytes -Step Temp E_pair E_mol TotEng Press - 0 0 -1.6384018 0.037304147 -1.6010976 6.7769766e-05 -10000 ekin = 0.705506935391957 | erot = 3.21864563172922 | epot = -44.0640899615318 | etot = -40.1399373944106 -20000 ekin = 1.16547426389222 | erot = 1.69259899672632 | epot = -41.827511978894 | etot = -38.9694387182755 -30000 ekin = 2.07592540045025 | erot = 2.81661265099434 | epot = -41.8258727293348 | etot = -36.9333346778902 -40000 ekin = 3.0352692177735 | erot = 2.43995587980307 | epot = -41.3155342467788 | etot = -35.8403091492022 -50000 ekin = 2.69044710203348 | erot = 2.86176633025683 | epot = -40.5544750556414 | etot = -35.0022616233511 -60000 ekin = 2.90956639769978 | erot = 2.84679944563592 | epot = -39.7474408128141 | etot = -33.9910749694784 -70000 ekin = 1.89941118514544 | erot = 3.71508585194422 | epot = -38.9575890625426 | etot = -33.3430920254529 -80000 ekin = 2.43472912058895 | erot = 3.11589280920166 | epot = -39.844809532279 | etot = -34.2941876024883 -90000 ekin = 2.3759389593227 | erot = 3.25835921096947 | epot = -38.913072246407 | etot = -33.2787740761149 -100000 ekin = 3.23901515322217 | erot = 3.3464944524431 | epot = -38.6302041314432 | etot = -32.044694525778 - 100000 0.086373737 -1.5432369 0.057459797 -1.3611996 7.7958353e-05 -Loop time of 6.15993 on 4 procs for 100000 steps with 26 atoms - -Performance: 140261.437 tau/day, 16233.963 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 | 0.049533 | 2.573 | 5.3124 | 157.6 | 41.77 -Bond | 0.007709 | 0.055244 | 0.10383 | 20.2 | 0.90 -Neigh | 1.8e-05 | 1.875e-05 | 1.9e-05 | 0.0 | 0.00 -Comm | 0.32774 | 3.0114 | 5.4815 | 142.5 | 48.89 -Output | 0.000925 | 0.0010595 | 0.00137 | 0.6 | 0.02 -Modify | 0.016369 | 0.18492 | 0.37491 | 39.3 | 3.00 -Other | | 0.3343 | | | 5.43 - -Nlocal: 6.5 ave 14.0 max 0.0 min -Histogram: 2 0 0 0 0 0 0 0 1 1 -Nghost: 18.5 ave 24.0 max 12.0 min -Histogram: 1 1 0 0 0 0 0 0 0 2 -Neighs: 113.75 ave 239.0 max 0.0 min -Histogram: 2 0 0 0 0 0 0 0 0 2 - -Total # of neighbors = 455 -Ave neighs/atom = 17.5 -Ave special neighs/atom = 5.076923076923077 -Neighbor list builds = 1 -Dangerous builds = 0 - -#write_restart config.${number}.* - - -Total wall time: 0:00:06 diff --git a/examples/PACKAGES/cgdna/examples/oxRNA2/duplex2/data.duplex2 b/examples/PACKAGES/cgdna/examples/oxRNA2/duplex2/data.duplex2 new file mode 100644 index 0000000000..8c985708ca --- /dev/null +++ b/examples/PACKAGES/cgdna/examples/oxRNA2/duplex2/data.duplex2 @@ -0,0 +1,91 @@ +LAMMPS data file via write_data, version 27 May 2021 + +16 atoms +4 atom types +13 bonds +1 bond types +16 ellipsoids + +-20 20 xlo xhi +-20 20 ylo yhi +-20 20 zlo zhi + +Masses + +1 3.1575 +2 3.1575 +3 3.1575 +4 3.1575 + +Atoms # hybrid + +1 1 -0.6133472972454725 -0.657478171669766 0.36065226351201896 1 1 3.7269849963023267 0 0 0 +2 2 -0.45262764247356363 -1.0030650534345913 0.7258693379233347 1 1 3.7269849963023267 0 0 0 +3 3 -0.0988342108522641 -1.239775807128057 1.069462285786363 1 1 3.7269849963023267 0 0 0 +4 4 0.2937771854299732 -1.2579750924899842 1.4258916086606965 1 1 3.7269849963023267 0 0 0 +5 1 0.6286896795685137 -1.0183343395119744 1.7689346339672825 1 1 3.7269849963023267 0 0 0 +6 2 0.7901522619067926 -0.6766341805565266 2.1540160705495754 1 1 3.7269849963023267 0 0 0 +7 3 0.7115777184886863 -0.40195579325143455 2.569568683291525 1 1 3.7269849963023267 0 0 0 +8 4 0.46973310377005234 -0.30251697967107033 3.0668007117519216 1 1 3.7269849963023267 0 0 0 +9 1 0.4056113349449848 -1.443775499211898 3.0590726503341124 2 1 3.7269849963023267 0 0 0 +10 2 -0.032028429059287516 -1.2947520971164723 2.7201071151392187 2 1 3.7269849963023267 0 0 0 +11 3 -0.31613855112314065 -0.908414175906161 2.4125207871782006 2 1 3.7269849963023267 0 0 0 +12 4 -0.38939391251821 -0.4866605488242819 2.006177777000426 2 1 3.7269849963023267 0 0 0 +13 1 -0.06232643040853296 -0.07155965522127403 1.5593206052730733 3 1 3.7269849963023267 0 0 0 +14 2 0.17884090390913376 -0.05516721349427172 1.021273149730912 3 1 3.7269849963023267 0 0 0 +15 3 0.4513439961906 -0.23795607383274572 0.5957328539615993 3 1 3.7269849963023267 0 0 0 +16 4 0.5077649359807965 -0.5565625134533538 0.1655875784458841 3 1 3.7269849963023267 0 0 0 + +Velocities + +1 0.05386890022865587 0.02262922525602673 0.24882291144736746 0.1772010258006941 -0.29588531700001014 -0.2624137503614725 +2 -0.03995003075629463 0.26969511063701984 -0.18986454548195664 -0.030614539375968176 -0.11769518931480599 0.040074702426473215 +3 -0.20784535295201376 -0.13628722357673043 -0.06062477950201746 -0.03676034584820381 -0.06308707793373186 -0.14798601576087625 +4 -0.23969824181316998 -0.5624721730878831 0.032474422905036715 -0.16523645965016515 0.2860623077030974 0.33543519753105877 +5 -0.16114897356828353 -0.22889697470760145 -0.13553324962649563 0.07151030852881342 -0.09415592891043179 0.13422881539312292 +6 -0.04701706588477693 0.19216715585110036 0.14588242791297215 0.09218622989776322 -0.5640128930702024 0.09287105657777776 +7 0.05098438305112513 -0.038459555522009595 -0.14244196285749675 0.3479046835475834 0.4244922695910593 -0.13582882604358357 +8 0.37827971348411926 -0.04953992506010833 0.1626392045834847 0.0442887659636129 0.07868414126013584 -0.12713600444325032 +9 0.04912038408665491 0.041260647318716696 0.012223856334495234 0.03282916621721876 -0.00012670547095256 0.155978785417696 +10 0.1939216183073483 0.11075235485381942 -0.0405050516019971 -0.17008135001813812 -0.4563093565840761 -0.30318513627039506 +11 -0.351360733920646 -0.18822419067535692 0.36147938199051305 -0.3708221604627426 -0.49108381825941216 0.09435948331955418 +12 -0.1188642917357977 0.22355282456551884 0.009265586122144348 -0.28230100188858365 0.10276485660828892 0.10175233476780697 +13 -0.1446616296238799 -0.11552059909787235 0.1331477187595642 -0.25498721890374343 0.2754663721641154 0.05806416868630132 +14 0.051547120035862544 -0.36611026510775635 -0.06630782880801242 -0.11999847173316518 0.0684476892288605 0.2161595932308759 +15 -0.20214244962091388 0.23341226933559608 0.008133374252278069 -0.17013911124135248 0.01870292260510287 -0.2682954134361106 +16 -0.19202131162868008 -0.08105295741355378 -0.0469350810885074 0.017332107652647588 -0.32876588862807693 0.1085334141225924 + +Bonds + +1 1 1 2 +2 1 2 3 +3 1 3 4 +4 1 4 5 +5 1 5 6 +6 1 6 7 +7 1 7 8 +8 1 9 10 +9 1 10 11 +10 1 11 12 +11 1 13 14 +12 1 14 15 +13 1 15 16 + +Ellipsoids + +1 1.173984503142341 1.173984503142341 1.173984503142341 0.9964752158482045 -0.053253555733239796 0.011391163807102514 -0.06380787090289707 +2 1.173984503142341 1.173984503142341 1.173984503142341 0.9369923833143513 0.11220716044648564 0.06732538499716349 0.3239168400846305 +3 1.173984503142341 1.173984503142341 1.173984503142341 0.797964932091827 0.14473096354527873 0.18374142699366386 0.5554673737937029 +4 1.173984503142341 1.173984503142341 1.173984503142341 0.5660864821344559 0.14688275499481052 0.09873742533340191 0.8051226439917721 +5 1.173984503142341 1.173984503142341 1.173984503142341 0.2533023785125306 0.12062313161679827 0.08583012223905846 0.9559922359911086 +6 1.173984503142341 1.173984503142341 1.173984503142341 -0.03855807343534716 0.08405913137017908 0.02236505169306371 0.9954632800204194 +7 1.173984503142341 1.173984503142341 1.173984503142341 -0.45592844330248017 0.1004550065061007 -0.052524745294758785 0.8827679181910482 +8 1.173984503142341 1.173984503142341 1.173984503142341 0.768021221540491 -0.009582139884533599 0.03658677589040892 -0.63930665074644 +9 1.173984503142341 1.173984503142341 1.173984503142341 -0.23299975754512345 0.688686395231341 0.6747873944883376 -0.12682324016841584 +10 1.173984503142341 1.173984503142341 1.173984503142341 -0.24662061871907232 0.8744456399178389 0.39370836087823996 -0.13970261209395163 +11 1.173984503142341 1.173984503142341 1.173984503142341 -0.087475900850909 0.977367602388229 0.14493549113095577 -0.12686307572668784 +12 1.173984503142341 1.173984503142341 1.173984503142341 -0.03181169300779214 0.9634374984140112 -0.2442360692534371 -0.10547485630879185 +13 1.173984503142341 1.173984503142341 1.173984503142341 -0.032786070696572266 0.7922941528811777 -0.6084214170523915 -0.03191282109962717 +14 1.173984503142341 1.173984503142341 1.173984503142341 0.047188686288341455 0.6316396208287698 -0.7737349519945348 0.011783095844627799 +15 1.173984503142341 1.173984503142341 1.173984503142341 -0.05869980642620335 -0.34229358203414423 0.9376740835056508 0.012519965878508689 +16 1.173984503142341 1.173984503142341 1.173984503142341 -0.08582818143150042 0.0008707732197394232 0.9939540921464659 -0.0684691735853161 diff --git a/examples/PACKAGES/cgdna/examples/oxRNA2/duplex4/in.duplex4 b/examples/PACKAGES/cgdna/examples/oxRNA2/duplex2/in.duplex2 similarity index 67% rename from examples/PACKAGES/cgdna/examples/oxRNA2/duplex4/in.duplex4 rename to examples/PACKAGES/cgdna/examples/oxRNA2/duplex2/in.duplex2 index 5d5e2cd177..09061269ff 100644 --- a/examples/PACKAGES/cgdna/examples/oxRNA2/duplex4/in.duplex4 +++ b/examples/PACKAGES/cgdna/examples/oxRNA2/duplex2/in.duplex2 @@ -1,7 +1,8 @@ -variable number equal 4 +variable number equal 2 variable ofreq equal 1000 variable efreq equal 1000 variable T equal 0.1 +variable rhos equal 0.5 units lj @@ -11,14 +12,14 @@ newton off boundary p p p -atom_style hybrid bond ellipsoid +atom_style hybrid bond ellipsoid oxdna atom_modify sort 0 1.0 # Pair interactions require lists of neighbours to be calculated -neighbor 1.0 bin +neighbor 2.0 bin neigh_modify every 1 delay 0 check yes -read_data data.duplex4 +read_data data.duplex2 set atom * mass 3.1575 @@ -31,38 +32,27 @@ special_bonds lj 0 1 1 # 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/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/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} 0.5 1.02455 +pair_coeff * * oxrna2/dh ${T} ${rhos} 1.02455 # NVE ensemble -#fix 1 all nve/dotc/langevin 0.1 0.1 0.03 457145 angmom 10 -#fix 1 all nve/dot 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 10000 1.1 rcb -comm_modify cutoff 2.5 +fix 3 all balance 1000 1.03 shift xyz 10 1.03 +comm_modify cutoff 3.8 -#compute mol all chunk/atom molecule -#compute mychunk all vcm/chunk mol -#fix 4 all ave/time 10000 1 10000 c_mychunk[1] c_mychunk[2] c_mychunk[3] file vcm.txt mode vector - -#dump pos all xyz ${ofreq} traj.${number}.xyz - -#compute quat all property/atom quatw quati quatj quatk -#dump quat all custom ${ofreq} quat.${number}.txt id c_quat[1] c_quat[2] c_quat[3] c_quat[4] -#dump_modify quat sort id -#dump_modify quat format line "%d %13.6le %13.6le %13.6le %13.6le" +compute quat all property/atom quatw quati quatj quatk compute erot all erotate/asphere compute ekin all ke @@ -73,10 +63,10 @@ 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}.txt id x y z vx vy vz fx fy fz tqx tqy tqz -#dump_modify out sort id -#dump_modify out format line "%d %13.9f %13.9f %13.9f %13.9f %13.9f %13.9f %13.9f %13.9f %13.9f %13.9f %13.9f %13.9f" +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 1000000 -#write_restart config.${number}.* +write_data last_config.${number}.* nocoeff 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 new file mode 100644 index 0000000000..9e047a580d --- /dev/null +++ b/examples/PACKAGES/cgdna/examples/oxRNA2/duplex2/log.27May21.duplex2.g++.1 @@ -0,0 +1,1181 @@ +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 new file mode 100644 index 0000000000..94b722f1da --- /dev/null +++ b/examples/PACKAGES/cgdna/examples/oxRNA2/duplex2/log.27May21.duplex2.g++.4 @@ -0,0 +1,1181 @@ +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/duplex4/data.duplex4 b/examples/PACKAGES/cgdna/examples/oxRNA2/duplex4/data.duplex4 deleted file mode 100644 index 72872d431a..0000000000 --- a/examples/PACKAGES/cgdna/examples/oxRNA2/duplex4/data.duplex4 +++ /dev/null @@ -1,96 +0,0 @@ -# LAMMPS data file -16 atoms -16 ellipsoids -13 bonds - -4 atom types -1 bond types - -# System size --20.000000 20.000000 xlo xhi --20.000000 20.000000 ylo yhi --20.000000 20.000000 zlo zhi - -Masses - -1 3.1575 -2 3.1575 -3 3.1575 -4 3.1575 - -# Atom-ID, type, position, molecule-ID, ellipsoid flag, density -Atoms - -1 1 -6.000000000000001e-01 0.000000000000000e+00 0.000000000000000e+00 1 1 1 -2 2 -4.860249842674776e-01 -3.518234140414736e-01 3.897628551303122e-01 1 1 1 -3 3 -1.874009511073395e-01 -5.699832309147915e-01 7.795257102606244e-01 1 1 1 -4 4 1.824198365552941e-01 -5.715968887521518e-01 1.169288565390937e+00 1 1 1 -5 1 4.829362784135484e-01 -3.560513319622209e-01 1.559051420521249e+00 1 1 1 -6 2 5.999771538385027e-01 -5.235921299024461e-03 1.948814275651561e+00 1 1 1 -7 3 4.890766774371325e-01 3.475687034056071e-01 2.338577130781873e+00 1 1 1 -8 4 1.923677943514057e-01 5.683261666476170e-01 2.728339985912185e+00 1 1 1 -9 1 -1.923677943514057e-01 -5.683261666476170e-01 2.728339985912185e+00 2 1 1 -10 2 -4.890766774371324e-01 -3.475687034056071e-01 2.338577130781873e+00 2 1 1 -11 3 -5.999771538385025e-01 5.235921299024461e-03 1.948814275651561e+00 2 1 1 -12 4 -4.829362784135481e-01 3.560513319622207e-01 1.559051420521249e+00 2 1 1 -13 1 -1.824198365552940e-01 5.715968887521514e-01 1.169288565390936e+00 2 1 1 -14 2 1.874009511073395e-01 5.699832309147912e-01 7.795257102606241e-01 2 1 1 -15 3 4.860249842674773e-01 3.518234140414733e-01 3.897628551303119e-01 2 1 1 -16 4 5.999999999999995e-01 -3.330669073875470e-17 -3.330669073875470e-16 2 1 1 - -# Atom-ID, translational velocity, angular momentum -Velocities - -1 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 -2 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 -3 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 -4 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 -5 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 -6 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 -7 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 -8 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 -9 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 -10 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 -11 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 -12 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 -13 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 -14 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 -15 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 -16 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 - -# Atom-ID, shape, quaternion -Ellipsoids - -1 1.173984503142341e+00 1.173984503142341e+00 1.173984503142341e+00 1.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 -2 1.173984503142341e+00 1.173984503142341e+00 1.173984503142341e+00 9.513258223252946e-01 0.000000000000000e+00 0.000000000000000e+00 3.081869234362515e-01 -3 1.173984503142341e+00 1.173984503142341e+00 1.173984503142341e+00 8.100416404457962e-01 0.000000000000000e+00 0.000000000000000e+00 5.863723567357894e-01 -4 1.173984503142341e+00 1.173984503142341e+00 1.173984503142341e+00 5.899012371043606e-01 0.000000000000000e+00 0.000000000000000e+00 8.074754054847398e-01 -5 1.173984503142341e+00 1.173984503142341e+00 1.173984503142341e+00 3.123349185122326e-01 0.000000000000000e+00 0.000000000000000e+00 9.499720515246527e-01 -6 1.173984503142341e+00 1.173984503142341e+00 1.173984503142341e+00 4.363309284746654e-03 0.000000000000000e+00 0.000000000000000e+00 9.999904807207346e-01 -7 1.173984503142341e+00 1.173984503142341e+00 1.173984503142341e+00 -3.040330609254902e-01 0.000000000000000e+00 0.000000000000000e+00 9.526614812535865e-01 -8 1.173984503142341e+00 1.173984503142341e+00 1.173984503142341e+00 5.828323126827837e-01 0.000000000000000e+00 0.000000000000000e+00 -8.125924533816677e-01 -9 1.173984503142341e+00 1.173984503142341e+00 1.173984503142341e+00 0.000000000000000e+00 8.125924533816681e-01 5.828323126827832e-01 -0.000000000000000e+00 -10 1.173984503142341e+00 1.173984503142341e+00 1.173984503142341e+00 0.000000000000000e+00 9.526614812535864e-01 3.040330609254902e-01 0.000000000000000e+00 -11 1.173984503142341e+00 1.173984503142341e+00 1.173984503142341e+00 0.000000000000000e+00 9.999904807207346e-01 -4.363309284746654e-03 0.000000000000000e+00 -12 1.173984503142341e+00 1.173984503142341e+00 1.173984503142341e+00 0.000000000000000e+00 9.499720515246526e-01 -3.123349185122325e-01 0.000000000000000e+00 -13 1.173984503142341e+00 1.173984503142341e+00 1.173984503142341e+00 0.000000000000000e+00 8.074754054847402e-01 -5.899012371043603e-01 0.000000000000000e+00 -14 1.173984503142341e+00 1.173984503142341e+00 1.173984503142341e+00 0.000000000000000e+00 5.863723567357898e-01 -8.100416404457959e-01 0.000000000000000e+00 -15 1.173984503142341e+00 1.173984503142341e+00 1.173984503142341e+00 -0.000000000000000e+00 -3.081869234362514e-01 9.513258223252948e-01 0.000000000000000e+00 -16 1.173984503142341e+00 1.173984503142341e+00 1.173984503142341e+00 -0.000000000000000e+00 2.775557561562893e-17 1.000000000000000e+00 -0.000000000000000e+00 - -# Bond topology -Bonds - -1 1 1 2 -2 1 2 3 -3 1 3 4 -4 1 4 5 -5 1 5 6 -6 1 6 7 -7 1 7 8 -8 1 9 10 -9 1 10 11 -10 1 11 12 -11 1 13 14 -12 1 14 15 -13 1 15 16 diff --git a/examples/PACKAGES/cgdna/examples/oxRNA2/duplex4/log.30Jun20.duplex4.g++.1 b/examples/PACKAGES/cgdna/examples/oxRNA2/duplex4/log.30Jun20.duplex4.g++.1 deleted file mode 100644 index 02c9ec0d52..0000000000 --- a/examples/PACKAGES/cgdna/examples/oxRNA2/duplex4/log.30Jun20.duplex4.g++.1 +++ /dev/null @@ -1,1183 +0,0 @@ -LAMMPS (30 Jun 2020) -variable number equal 4 -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 -WARNING: Atom_style hybrid defines both pertype and peratom masses - both must be set, only peratom masses will be used (../atom_vec_hybrid.cpp:156) -atom_modify sort 0 1.0 - -# Pair interactions require lists of neighbours to be calculated -neighbor 1.0 bin -neigh_modify every 1 delay 0 check yes - -read_data data.duplex4 - orthogonal box = (-20 -20 -20) to (20 20 20) - 1 by 1 by 1 MPI processor grid - reading atoms ... - 16 atoms - reading velocities ... - 16 velocities - 16 ellipsoids - scanning bonds ... - 2 = max bonds/atom - reading bonds ... - 13 bonds - 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 = 0.002 seconds - -set atom * mass 3.1575 - 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 - 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} 0.5 1.02455 -pair_coeff * * oxrna2/dh 0.1 0.5 1.02455 - -# NVE ensemble -#fix 1 all nve/dotc/langevin 0.1 0.1 0.03 457145 angmom 10 -#fix 1 all nve/dot -fix 1 all nve/asphere - -timestep 1e-5 - -#comm_style tiled -#fix 3 all balance 10000 1.1 rcb -comm_modify cutoff 2.5 - -#compute mol all chunk/atom molecule -#compute mychunk all vcm/chunk mol -#fix 4 all ave/time 10000 1 10000 c_mychunk[1] c_mychunk[2] c_mychunk[3] file vcm.txt mode vector - -#dump pos all xyz ${ofreq} traj.${number}.xyz - -#compute quat all property/atom quatw quati quatj quatk -#dump quat all custom ${ofreq} quat.${number}.txt id c_quat[1] c_quat[2] c_quat[3] c_quat[4] -#dump_modify quat sort id -#dump_modify quat format line "%d %13.6le %13.6le %13.6le %13.6le" - -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}.txt id x y z vx vy vz fx fy fz tqx tqy tqz -#dump_modify out sort id -#dump_modify out format line "%d %13.9f %13.9f %13.9f %13.9f %13.9f %13.9f %13.9f %13.9f %13.9f %13.9f %13.9f %13.9f" - -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 = 3.3014979 - ghost atom cutoff = 3.3014979 - binsize = 1.650749, bins = 25 25 25 - 6 neighbor lists, perpetual/occasional/extra = 6 0 0 - (1) pair oxrna2/excv, perpetual - attributes: half, newton off - pair build: half/bin/newtoff - stencil: half/bin/3d/newtoff - bin: standard - (2) pair oxrna2/stk, perpetual, copy from (1) - attributes: half, newton off - pair build: copy - stencil: none - bin: none - (3) pair oxrna2/hbond, perpetual, copy from (1) - attributes: half, newton off - pair build: copy - stencil: none - bin: none - (4) pair oxrna2/xstk, perpetual, copy from (1) - attributes: half, newton off - pair build: copy - stencil: none - bin: none - (5) pair oxrna2/coaxstk, perpetual, copy from (1) - attributes: half, newton off - pair build: copy - stencil: none - bin: none - (6) pair oxrna2/dh, perpetual, copy from (1) - attributes: half, newton off - pair build: copy - stencil: none - bin: none -WARNING: Communication cutoff adjusted to 3.3014979169291987 (../comm.cpp:690) -0 ekin = 0 | erot = 0 | epot = -13.282537590974 | etot = -13.282537590974 -Per MPI rank memory allocation (min/avg/max) = 8.071 | 8.071 | 8.071 Mbytes -Step Temp E_pair E_mol TotEng Press - 0 0 -0.84341458 0.013255977 -0.8301586 -2.0169485e-05 -1000 ekin = 0.00448503054656468 | erot = 0.00825381229611384 | epot = -13.2952764343122 | etot = -13.2825375914695 -2000 ekin = 0.0179027901180511 | erot = 0.0327684151335467 | epot = -13.3332087967732 | etot = -13.2825375915216 -3000 ekin = 0.0401478317723584 | erot = 0.0728240143066062 | epot = -13.3955094376815 | etot = -13.2825375916026 -4000 ekin = 0.0710654348932282 | erot = 0.127292706283096 | epot = -13.4808957328808 | etot = -13.2825375917044 -5000 ekin = 0.110480309743662 | erot = 0.194739074279834 | epot = -13.5877569758405 | etot = -13.282537591817 -6000 ekin = 0.158231230694432 | erot = 0.273546913858903 | epot = -13.7143157364827 | etot = -13.2825375919294 -7000 ekin = 0.214206450831754 | erot = 0.362058396901232 | epot = -13.8588024397642 | etot = -13.2825375920312 -8000 ekin = 0.278374111850069 | erot = 0.458709556672181 | epot = -14.0196212606361 | etot = -13.2825375921138 -9000 ekin = 0.35080209403022 | erot = 0.562145629088178 | epot = -14.1954853152903 | etot = -13.2825375921719 -10000 ekin = 0.431663021447766 | erot = 0.671302139462136 | epot = -14.385502753114 | etot = -13.2825375922041 -11000 ekin = 0.521222365620265 | erot = 0.78544264622411 | epot = -14.5892026040572 | etot = -13.2825375922128 -12000 ekin = 0.61981039873542 | erot = 0.904150888366026 | epot = -14.8064988793055 | etot = -13.2825375922041 -13000 ekin = 0.72778153179885 | erot = 1.02728222251243 | epot = -15.0376013464974 | etot = -13.2825375921861 -14000 ekin = 0.845466747659446 | erot = 1.154885201864 | epot = -15.2828895416915 | etot = -13.2825375921681 -15000 ekin = 0.973515286429446 | erot = 1.28640002432487 | epot = -15.5424529041413 | etot = -13.2825375933869 -16000 ekin = 1.12323013751098 | erot = 1.40387495398598 | epot = -15.8096426839256 | etot = -13.2825375924286 -17000 ekin = 1.2976927283263 | erot = 1.51347784068661 | epot = -16.0937081607397 | etot = -13.2825375917268 -18000 ekin = 1.48565191084531 | erot = 1.63592970999661 | epot = -16.4041192134347 | etot = -13.2825375925928 -19000 ekin = 1.66750911163348 | erot = 1.77940241938721 | epot = -16.7294491246368 | etot = -13.2825375936161 -20000 ekin = 1.84148924290423 | erot = 1.93695511183687 | epot = -17.0609819484057 | etot = -13.2825375936646 -21000 ekin = 2.02307741366163 | erot = 2.09844265792961 | epot = -17.4040576653939 | etot = -13.2825375938027 -22000 ekin = 2.21183606977224 | erot = 2.26260708947302 | epot = -17.7569807531587 | etot = -13.2825375939134 -23000 ekin = 2.40735468792977 | erot = 2.42817202047308 | epot = -18.1180643024997 | etot = -13.2825375940968 -24000 ekin = 2.60896890448861 | erot = 2.59357882573853 | epot = -18.485085324508 | etot = -13.2825375942809 -25000 ekin = 2.81580135477345 | erot = 2.75706655667055 | epot = -18.855405505957 | etot = -13.282537594513 -26000 ekin = 3.02680083558485 | erot = 2.91667946897257 | epot = -19.2260178993271 | etot = -13.2825375947697 -27000 ekin = 3.24067707260308 | erot = 3.07027299756498 | epot = -19.5934876652175 | etot = -13.2825375950495 -28000 ekin = 3.45601412953572 | erot = 3.21560615188039 | epot = -19.9541578767293 | etot = -13.2825375953132 -29000 ekin = 3.6713683081319 | erot = 3.35037905822946 | epot = -20.304284961999 | etot = -13.2825375956376 -30000 ekin = 3.88476027224393 | erot = 3.47208481891837 | epot = -20.639382687185 | etot = -13.2825375960227 -31000 ekin = 4.09387957878895 | erot = 3.57821385032035 | epot = -20.9546310254509 | etot = -13.2825375963416 -32000 ekin = 4.29662185345806 | erot = 3.66648606531138 | epot = -21.2456455154186 | etot = -13.2825375966492 -33000 ekin = 4.49089153394062 | erot = 3.73482555362569 | epot = -21.5082546845018 | etot = -13.2825375969355 -34000 ekin = 4.67464118182276 | erot = 3.78142516888995 | epot = -21.738603947901 | etot = -13.2825375971883 -35000 ekin = 4.84586411782047 | erot = 3.80480460777895 | epot = -21.9332063229962 | etot = -13.2825375973967 -36000 ekin = 5.00270940487365 | erot = 3.8039453503275 | epot = -22.0891923527593 | etot = -13.2825375975582 -37000 ekin = 5.14355281474259 | erot = 3.7783370953036 | epot = -22.204427507712 | etot = -13.2825375976658 -38000 ekin = 5.26699752588855 | erot = 3.72801268545693 | epot = -22.2775478090594 | etot = -13.2825375977139 -39000 ekin = 5.37191151713863 | erot = 3.65359747923659 | epot = -22.3080465940736 | etot = -13.2825375976984 -40000 ekin = 5.45746010972423 | erot = 3.55633701588595 | epot = -22.2963347232305 | etot = -13.2825375976203 -41000 ekin = 5.52312188621308 | erot = 3.43809872369854 | epot = -22.2437582073842 | etot = -13.2825375974726 -42000 ekin = 5.56872044211992 | erot = 3.30135279333163 | epot = -22.1526108327155 | etot = -13.2825375972639 -43000 ekin = 5.59443660082917 | erot = 3.14910305123731 | epot = -22.0260772490691 | etot = -13.2825375970026 -44000 ekin = 5.60078634437692 | erot = 2.98477133565124 | epot = -21.8680952767294 | etot = -13.2825375967012 -45000 ekin = 5.58859564323333 | erot = 2.81204277265316 | epot = -21.6831760122617 | etot = -13.2825375963752 -46000 ekin = 5.55896198288794 | erot = 2.63469562167501 | epot = -21.4761952006007 | etot = -13.2825375960378 -47000 ekin = 5.51320424221946 | erot = 2.45646420183046 | epot = -21.2522060397483 | etot = -13.2825375956984 -48000 ekin = 5.45280176988517 | erot = 2.28095947573118 | epot = -21.0162988409769 | etot = -13.2825375953605 -49000 ekin = 5.37933239946638 | erot = 2.11161440403257 | epot = -20.7734843985446 | etot = -13.2825375950457 -50000 ekin = 5.29440598595185 | erot = 1.95156309993188 | epot = -20.5285066806346 | etot = -13.2825375947508 -51000 ekin = 5.19960275040233 | erot = 1.8036634398305 | epot = -20.2858037847152 | etot = -13.2825375944824 -52000 ekin = 5.0964231996195 | erot = 1.67046877096987 | epot = -20.0494295648281 | etot = -13.2825375942387 -53000 ekin = 4.9862463955433 | erot = 1.55427111116831 | epot = -19.8230551007329 | etot = -13.2825375940213 -54000 ekin = 4.87030445561499 | erot = 1.45710469956877 | epot = -19.6099467490156 | etot = -13.2825375938318 -55000 ekin = 4.74966978520139 | erot = 1.38074642902068 | epot = -19.4129538078748 | etot = -13.2825375936527 -56000 ekin = 4.62525646670949 | erot = 1.32681969001207 | epot = -19.234613750249 | etot = -13.2825375935274 -57000 ekin = 4.49783496228224 | erot = 1.29648861711347 | epot = -19.0768611728237 | etot = -13.282537593428 -58000 ekin = 4.36805832461578 | erot = 1.29057331365797 | epot = -18.9411692316276 | etot = -13.2825375933539 -59000 ekin = 4.2364904586051 | erot = 1.30961007130951 | epot = -18.8286381232177 | etot = -13.2825375933031 -60000 ekin = 4.10363649615144 | erot = 1.35385055377169 | epot = -18.7400246431963 | etot = -13.2825375932731 -61000 ekin = 3.96997203629753 | erot = 1.42326526715546 | epot = -18.6757748967158 | etot = -13.2825375932628 -62000 ekin = 3.83612285735248 | erot = 1.51750909475431 | epot = -18.63616954536 | etot = -13.2825375932532 -63000 ekin = 3.70275913153266 | erot = 1.63593500305368 | epot = -18.6212317278745 | etot = -13.2825375932882 -64000 ekin = 3.57028395426058 | erot = 1.77765695762491 | epot = -18.6304785052259 | etot = -13.2825375933404 -65000 ekin = 3.43939724701796 | erot = 1.94136642645393 | epot = -18.6633012668467 | etot = -13.2825375933748 -66000 ekin = 3.31090885650418 | erot = 2.12543845180125 | epot = -18.7188849017627 | etot = -13.2825375934573 -67000 ekin = 3.18539537800071 | erot = 2.32812634152943 | epot = -18.7960593130806 | etot = -13.2825375935505 -68000 ekin = 3.0635338653798 | erot = 2.54742667497606 | epot = -18.8934981340101 | etot = -13.2825375936542 -69000 ekin = 2.94609585152078 | erot = 2.78109018587171 | epot = -19.0097236311617 | etot = -13.2825375937692 -70000 ekin = 2.83393040716448 | erot = 3.02662959649683 | epot = -19.1430975975577 | etot = -13.2825375938964 -71000 ekin = 2.72793726696335 | erot = 3.2813399428617 | epot = -19.2918148038566 | etot = -13.2825375940315 -72000 ekin = 2.62902971043607 | erot = 3.54239819983169 | epot = -19.4539655044244 | etot = -13.2825375941566 -73000 ekin = 2.53808722042867 | erot = 3.80701983458538 | epot = -19.6276446493623 | etot = -13.2825375943483 -74000 ekin = 2.455928655269 | erot = 4.07171344127425 | epot = -19.8101796911565 | etot = -13.2825375946133 -75000 ekin = 2.3833072864543 | erot = 4.33220600221137 | epot = -19.9980508835341 | etot = -13.2825375948685 -76000 ekin = 2.32085819246822 | erot = 4.58430888321152 | epot = -20.1877046708087 | etot = -13.2825375951289 -77000 ekin = 2.26905284041982 | erot = 4.82394209159272 | epot = -20.3755325274045 | etot = -13.2825375953919 -78000 ekin = 2.2281821557978 | erot = 5.04720004762901 | epot = -20.5579197990814 | etot = -13.2825375956545 -79000 ekin = 2.19835990746566 | erot = 5.25044819004335 | epot = -20.731345693396 | etot = -13.282537595887 -80000 ekin = 2.17954213158759 | erot = 5.43056087724128 | epot = -20.892640604912 | etot = -13.2825375960832 -81000 ekin = 2.17154912845093 | erot = 5.58515654974166 | epot = -21.0392432744259 | etot = -13.2825375962333 -82000 ekin = 2.17396051633407 | erot = 5.7125507021892 | epot = -21.1690488148909 | etot = -13.2825375963676 -83000 ekin = 2.18608268543525 | erot = 5.81159389139857 | epot = -21.2802141733998 | etot = -13.282537596566 -84000 ekin = 2.2069405579712 | erot = 5.88143457462831 | epot = -21.3709127292228 | etot = -13.2825375966233 -85000 ekin = 2.2355007346892 | erot = 5.92248473361667 | epot = -21.440523064944 | etot = -13.2825375966382 -86000 ekin = 2.27071025957252 | erot = 5.93583657914492 | epot = -21.4890844353356 | etot = -13.2825375966181 -87000 ekin = 2.31151705668581 | erot = 5.92306118835155 | epot = -21.5171158416081 | etot = -13.2825375965708 -88000 ekin = 2.35689880582412 | erot = 5.88606517856673 | epot = -21.525501580893 | etot = -13.2825375965021 -89000 ekin = 2.40589192121148 | erot = 5.82697176767419 | epot = -21.5154012853016 | etot = -13.2825375964159 -90000 ekin = 2.45762089189535 | erot = 5.74803678246179 | epot = -21.4881952706708 | etot = -13.2825375963137 -91000 ekin = 2.51132727735695 | erot = 5.65159908896414 | epot = -21.4454639625169 | etot = -13.2825375961958 -92000 ekin = 2.56639616299259 | erot = 5.54005576567966 | epot = -21.3889895247342 | etot = -13.282537596062 -93000 ekin = 2.62237587147962 | erot = 5.41584923925671 | epot = -21.3207627066499 | etot = -13.2825375959136 -94000 ekin = 2.67898536287491 | erot = 5.28145076624188 | epot = -21.2429737248702 | etot = -13.2825375957534 -95000 ekin = 2.73610698777088 | erot = 5.13933222478715 | epot = -21.1579768081439 | etot = -13.2825375955858 -96000 ekin = 2.79376736409348 | erot = 4.991923519611 | epot = -21.0682284791224 | etot = -13.2825375954179 -97000 ekin = 2.8520975917789 | erot = 4.84155102931962 | epot = -20.9761862163567 | etot = -13.2825375952582 -98000 ekin = 2.91128043087791 | erot = 4.69036811429532 | epot = -20.8841861402883 | etot = -13.2825375951151 -99000 ekin = 2.97148865716348 | erot = 4.54028690688379 | epot = -20.7943131590444 | etot = -13.2825375949971 -100000 ekin = 3.03281936548472 | erot = 4.39291958377954 | epot = -20.7082765441749 | etot = -13.2825375949107 -101000 ekin = 3.09523162855504 | erot = 4.24953761553679 | epot = -20.6273068389522 | etot = -13.2825375948604 -102000 ekin = 3.15849350649721 | erot = 4.11105261279871 | epot = -20.5520837141442 | etot = -13.2825375948483 -103000 ekin = 3.22212928739638 | erot = 3.97803233781106 | epot = -20.4826992200828 | etot = -13.2825375948753 -104000 ekin = 3.28539028419999 | erot = 3.85073569994574 | epot = -20.4186635790808 | etot = -13.2825375949351 -105000 ekin = 3.34731475817757 | erot = 3.72912316717803 | epot = -20.3589755203793 | etot = -13.2825375950237 -106000 ekin = 3.4067279473086 | erot = 3.61292637549551 | epot = -20.3021919179394 | etot = -13.2825375951353 -107000 ekin = 3.46228544964883 | erot = 3.5017039548605 | epot = -20.246526999772 | etot = -13.2825375952626 -108000 ekin = 3.51253156080077 | erot = 3.39489824023761 | epot = -20.1899673964364 | etot = -13.2825375953981 -109000 ekin = 3.55597480315873 | erot = 3.29187299703765 | epot = -20.1303853957321 | etot = -13.2825375955357 -110000 ekin = 3.59118238705146 | erot = 3.19193918351245 | epot = -20.0656591662303 | etot = -13.2825375956664 -111000 ekin = 3.61687343778638 | erot = 3.09439958031605 | epot = -19.9938106138842 | etot = -13.2825375957818 -112000 ekin = 3.63202144077084 | erot = 2.99858073408885 | epot = -19.9131397707328 | etot = -13.2825375958731 -113000 ekin = 3.63595677604976 | erot = 2.9038679642207 | epot = -19.8223623362017 | etot = -13.2825375959313 -114000 ekin = 3.62846110509018 | erot = 2.80974594394126 | epot = -19.7207446449798 | etot = -13.2825375959483 -115000 ekin = 3.60984333606122 | erot = 2.71584476484558 | epot = -19.6082256968244 | etot = -13.2825375959176 -116000 ekin = 3.58098592946299 | erot = 2.62198860618916 | epot = -19.4855121314887 | etot = -13.2825375958366 -117000 ekin = 3.54334240221404 | erot = 2.52827901424375 | epot = -19.3541590121477 | etot = -13.2825375956899 -118000 ekin = 3.49891828359516 | erot = 2.43512420844403 | epot = -19.216580087547 | etot = -13.2825375955078 -119000 ekin = 3.45018316481891 | erot = 2.34313144179019 | epot = -19.0758522018958 | etot = -13.2825375952867 -120000 ekin = 3.39991853306434 | erot = 2.25319419875649 | epot = -18.9356503268596 | etot = -13.2825375950388 -121000 ekin = 3.3510515204902 | erot = 2.16646597387207 | epot = -18.800055089141 | etot = -13.2825375947787 -122000 ekin = 3.30648176977496 | erot = 2.08430580540005 | epot = -18.6733251696956 | etot = -13.2825375945206 -123000 ekin = 3.26892966156092 | erot = 2.00820635396395 | epot = -18.5596736098009 | etot = -13.282537594276 -124000 ekin = 3.24083330103916 | erot = 1.93971532774634 | epot = -18.4630862228367 | etot = -13.2825375940512 -125000 ekin = 3.22476145827508 | erot = 1.88029581293259 | epot = -18.3875948633982 | etot = -13.2825375921906 -126000 ekin = 3.14878052704874 | erot = 1.84062475589788 | epot = -18.2719429098057 | etot = -13.282537626859 -127000 ekin = 2.94943277103419 | erot = 1.886595427589 | epot = -18.1185657735804 | etot = -13.2825375749572 -128000 ekin = 3.16220879321477 | erot = 1.96338946783263 | epot = -18.4081359062158 | etot = -13.2825376451684 -129000 ekin = 3.31015030132664 | erot = 1.94720836362437 | epot = -18.5398963214834 | etot = -13.2825376565324 -130000 ekin = 3.4497203872454 | erot = 1.9263351056887 | epot = -18.6585931496325 | etot = -13.2825376566984 -131000 ekin = 3.58872168957069 | erot = 1.90769906106666 | epot = -18.7789584074301 | etot = -13.2825376567928 -132000 ekin = 3.72319125317242 | erot = 1.89293715413342 | epot = -18.8986660641589 | etot = -13.2825376568531 -133000 ekin = 3.84978251755378 | erot = 1.88373597103185 | epot = -19.0160561454729 | etot = -13.2825376568873 -134000 ekin = 3.96557984951709 | erot = 1.88171908502832 | epot = -19.1298365915084 | etot = -13.282537656963 -135000 ekin = 4.06807957718157 | erot = 1.88790714285761 | epot = -19.2385243770752 | etot = -13.282537657036 -136000 ekin = 4.15531911327293 | erot = 1.90286269173109 | epot = -19.340719462101 | etot = -13.282537657097 -137000 ekin = 4.22592766896957 | erot = 1.92681130724409 | epot = -19.4352766333493 | etot = -13.2825376571357 -138000 ekin = 4.27918313097991 | erot = 1.95973390207695 | epot = -19.5214546902016 | etot = -13.2825376571448 -139000 ekin = 4.31500256681567 | erot = 2.00154238231131 | epot = -19.59908260621 | etot = -13.2825376570831 -140000 ekin = 4.33403278412092 | erot = 2.05223040229202 | epot = -19.6688008434056 | etot = -13.2825376569926 -141000 ekin = 4.33751047770786 | erot = 2.11180924821132 | epot = -19.7318573827854 | etot = -13.2825376568662 -142000 ekin = 4.32708478663564 | erot = 2.18042096416689 | epot = -19.7900434075179 | etot = -13.2825376567154 -143000 ekin = 4.30467959787724 | erot = 2.25833701673724 | epot = -19.8455542711563 | etot = -13.2825376565418 -144000 ekin = 4.27235382259247 | erot = 2.34595165411789 | epot = -19.9008431331009 | etot = -13.2825376563906 -145000 ekin = 4.23214636981244 | erot = 2.44344334214718 | epot = -19.9581273682268 | etot = -13.2825376562672 -146000 ekin = 4.18594231916929 | erot = 2.55071340549331 | epot = -20.0191933808486 | etot = -13.2825376561861 -147000 ekin = 4.13537962661592 | erot = 2.66728850163241 | epot = -20.0852057844046 | etot = -13.2825376561563 -148000 ekin = 4.08179900889712 | erot = 2.79223549069442 | epot = -20.1565721557729 | etot = -13.2825376561813 -149000 ekin = 4.02623498472322 | erot = 2.9241198689985 | epot = -20.232892509982 | etot = -13.2825376562603 -150000 ekin = 3.96943958307703 | erot = 3.06100347347629 | epot = -20.3129807129424 | etot = -13.2825376563891 -151000 ekin = 3.91192645323282 | erot = 3.20047132483819 | epot = -20.3949354346329 | etot = -13.2825376565619 -152000 ekin = 3.85402372610883 | erot = 3.33967877480172 | epot = -20.4762401576828 | etot = -13.2825376567723 -153000 ekin = 3.79592773401783 | erot = 3.47541715770412 | epot = -20.5538825487337 | etot = -13.2825376570117 -154000 ekin = 3.73775530704034 | erot = 3.60420547216072 | epot = -20.6244984364701 | etot = -13.282537657269 -155000 ekin = 3.6795979102985 | erot = 3.7224221778291 | epot = -20.6845577456561 | etot = -13.2825376575285 -156000 ekin = 3.62158147939218 | erot = 3.82649073830497 | epot = -20.7306098754663 | etot = -13.2825376577691 -157000 ekin = 3.5639362554113 | erot = 3.91312084630063 | epot = -20.7595947596784 | etot = -13.2825376579665 -158000 ekin = 3.50707329925225 | erot = 3.9795873650006 | epot = -20.7691983223484 | etot = -13.2825376580955 -159000 ekin = 3.45165682738659 | erot = 4.02400734849606 | epot = -20.7582018340186 | etot = -13.282537658136 -160000 ekin = 3.39865532558911 | erot = 4.04555903021673 | epot = -20.7267520138832 | etot = -13.2825376580774 -161000 ekin = 3.34935406486443 | erot = 4.04458967179415 | epot = -20.6764813945808 | etot = -13.2825376579222 -162000 ekin = 3.30532015421541 | erot = 4.02258247379577 | epot = -20.6104402856967 | etot = -13.2825376576855 -163000 ekin = 3.26831809803593 | erot = 3.9819866935813 | epot = -20.5328424490087 | etot = -13.2825376573915 -164000 ekin = 3.24018500158399 | erot = 3.92594872656713 | epot = -20.4486713852208 | etot = -13.2825376570696 -165000 ekin = 3.22267663501631 | erot = 3.85799639398367 | epot = -20.3632106857524 | etot = -13.2825376567524 -166000 ekin = 3.21735668268678 | erot = 3.78179957337381 | epot = -20.2816939123395 | etot = -13.2825376562789 -167000 ekin = 3.22508554133862 | erot = 3.70216421851936 | epot = -20.2097874159612 | etot = -13.2825376561032 -168000 ekin = 3.24596106315348 | erot = 3.62279974210031 | epot = -20.1512984612673 | etot = -13.2825376560135 -169000 ekin = 3.27955383501624 | erot = 3.54538235194483 | epot = -20.1074738429831 | etot = -13.282537656022 -170000 ekin = 3.32466734771662 | erot = 3.47077759716888 | epot = -20.0779826010138 | etot = -13.2825376561283 -171000 ekin = 3.37937800793516 | erot = 3.39904334979718 | epot = -20.0609590140454 | etot = -13.282537656313 -172000 ekin = 3.44119436380901 | erot = 3.32956363469228 | epot = -20.0532956550473 | etot = -13.282537656546 -173000 ekin = 3.50731985302141 | erot = 3.26128359452907 | epot = -20.0511411043353 | etot = -13.2825376567848 -174000 ekin = 3.57497712060583 | erot = 3.19303082809352 | epot = -20.050545605684 | etot = -13.2825376569846 -175000 ekin = 3.64173116724552 | erot = 3.12386956099455 | epot = -20.0481383853484 | etot = -13.2825376571083 -176000 ekin = 3.70574771913082 | erot = 3.05341479574277 | epot = -20.0417001720058 | etot = -13.2825376571322 -177000 ekin = 3.7659388805688 | erot = 2.98204284338451 | epot = -20.0305193810053 | etot = -13.282537657052 -178000 ekin = 3.82196164475694 | erot = 2.91094638159342 | epot = -20.015445683236 | etot = -13.2825376568857 -179000 ekin = 3.87411507697524 | erot = 2.84204110116973 | epot = -19.9986938347994 | etot = -13.2825376566544 -180000 ekin = 3.92317967933193 | erot = 2.7777395342816 | epot = -19.9834568700068 | etot = -13.2825376563932 -181000 ekin = 3.97015764234382 | erot = 2.72070235461324 | epot = -19.9733976530853 | etot = -13.2825376561282 -182000 ekin = 4.01610171617511 | erot = 2.6734984016926 | epot = -19.9721377738014 | etot = -13.2825376559337 -183000 ekin = 4.06177363427731 | erot = 2.63812245871493 | epot = -19.9824337488135 | etot = -13.2825376558213 -184000 ekin = 4.10756653677024 | erot = 2.61575603465066 | epot = -20.0058602272097 | etot = -13.2825376557888 -185000 ekin = 4.15354652964132 | erot = 2.60670565064911 | epot = -20.042789836128 | etot = -13.2825376558376 -186000 ekin = 4.19945391072101 | erot = 2.61036353554316 | epot = -20.0923551022269 | etot = -13.2825376559628 -187000 ekin = 4.24473107430636 | erot = 2.62524898284916 | epot = -20.1525177133095 | etot = -13.282537656154 -188000 ekin = 4.28856799818784 | erot = 2.6491184592848 | epot = -20.2202241138693 | etot = -13.2825376563966 -189000 ekin = 4.33007364399125 | erot = 2.67919947077837 | epot = -20.291810771393 | etot = -13.2825376566233 -190000 ekin = 4.36845326745518 | erot = 2.71241964780781 | epot = -20.3634105721979 | etot = -13.282537656935 -191000 ekin = 4.40242074847429 | erot = 2.74530093921263 | epot = -20.4302593449101 | etot = -13.2825376572232 -192000 ekin = 4.43037880288296 | erot = 2.7745540103848 | epot = -20.4874704712234 | etot = -13.2825376579557 -193000 ekin = 4.44834510305263 | erot = 2.79692081275968 | epot = -20.5278035740366 | etot = -13.2825376582243 -194000 ekin = 4.45438337861284 | erot = 2.80974801333328 | epot = -20.5466690503491 | etot = -13.282537658403 -195000 ekin = 4.44752201417202 | erot = 2.81136444003046 | epot = -20.5414241126779 | etot = -13.2825376584754 -196000 ekin = 4.42737187905048 | erot = 2.80121240437724 | epot = -20.5111219418607 | etot = -13.282537658433 -197000 ekin = 4.39418615090619 | erot = 2.77991547931436 | epot = -20.4566392884965 | etot = -13.282537658276 -198000 ekin = 4.3488852650834 | erot = 2.74924294053029 | epot = -20.3806658636271 | etot = -13.2825376580134 -199000 ekin = 4.29304006378848 | erot = 2.71196807404358 | epot = -20.2875457954965 | etot = -13.2825376576645 -200000 ekin = 4.22880362118172 | erot = 2.67162662745845 | epot = -20.1829679058976 | etot = -13.2825376572574 -201000 ekin = 4.15878346301308 | erot = 2.6321913339107 | epot = -20.0735124537522 | etot = -13.2825376568284 -202000 ekin = 4.08585235174777 | erot = 2.59768848811556 | epot = -19.9660784962823 | etot = -13.2825376564189 -203000 ekin = 4.01290418154392 | erot = 2.5717916467484 | epot = -19.8672334843641 | etot = -13.2825376560718 -204000 ekin = 3.94257872967226 | erot = 2.55743320243961 | epot = -19.7825495879379 | etot = -13.282537655826 -205000 ekin = 3.87698859849794 | erot = 2.55647506167819 | epot = -19.7160013158883 | etot = -13.2825376557122 -206000 ekin = 3.81748743469197 | erot = 2.56947517652852 | epot = -19.6695002669682 | etot = -13.2825376557477 -207000 ekin = 3.76451595610833 | erot = 2.59557970374943 | epot = -19.6426333157917 | etot = -13.2825376559339 -208000 ekin = 3.71755329412155 | erot = 2.63256413547948 | epot = -19.6326550858542 | etot = -13.2825376562531 -209000 ekin = 3.6751895684106 | erot = 2.67704133017555 | epot = -19.6347685552539 | etot = -13.2825376566678 -210000 ekin = 3.63532366958123 | erot = 2.72484401425475 | epot = -19.6427053409575 | etot = -13.2825376571215 -211000 ekin = 3.59547812025537 | erot = 2.77156531006635 | epot = -19.6495810878665 | etot = -13.2825376575447 -212000 ekin = 3.5532013388674 | erot = 2.8131934632015 | epot = -19.648932459936 | etot = -13.2825376578671 -213000 ekin = 3.5064976129211 | erot = 2.84671880107505 | epot = -19.6357540720302 | etot = -13.282537658034 -214000 ekin = 3.45419694129118 | erot = 2.87055671325296 | epot = -19.6072913125676 | etot = -13.2825376580234 -215000 ekin = 3.3961705526571 | erot = 2.8846579012024 | epot = -19.5633661117116 | etot = -13.2825376578521 -216000 ekin = 3.33333457774708 | erot = 2.89027487492533 | epot = -19.5061471102412 | etot = -13.2825376575688 -217000 ekin = 3.26237078851755 | erot = 2.88652329141154 | epot = -19.4314317899048 | etot = -13.2825377099757 -218000 ekin = 3.06041269207635 | erot = 2.81741383451267 | epot = -19.1603641969459 | etot = -13.2825376703568 -219000 ekin = 2.93316276967062 | erot = 2.8446025024716 | epot = -19.0603029343603 | etot = -13.2825376622181 -220000 ekin = 2.96128614843698 | erot = 2.98904145664669 | epot = -19.2328653086382 | etot = -13.2825377035546 -221000 ekin = 2.90913828063349 | erot = 3.0370109417033 | epot = -19.2286868797594 | etot = -13.2825376574226 -222000 ekin = 2.84227376945866 | erot = 3.05603303801694 | epot = -19.1808444650464 | etot = -13.2825376575708 -223000 ekin = 2.78062900949204 | erot = 3.0623214454287 | epot = -19.1254881126305 | etot = -13.2825376577097 -224000 ekin = 2.72480461600036 | erot = 3.05323876331587 | epot = -19.0605810371255 | etot = -13.2825376578093 -225000 ekin = 2.67532541220325 | erot = 3.02684795807176 | epot = -18.9847110281109 | etot = -13.2825376578359 -226000 ekin = 2.63276163036943 | erot = 2.98227164387593 | epot = -18.8975709320212 | etot = -13.2825376577758 -227000 ekin = 2.59776959648577 | erot = 2.91985728396334 | epot = -18.8001645380875 | etot = -13.2825376576384 -228000 ekin = 2.57104335950892 | erot = 2.84110209326691 | epot = -18.6946831102272 | etot = -13.2825376574514 -229000 ekin = 2.55319781380138 | erot = 2.74837649564534 | epot = -18.5841119666977 | etot = -13.282537657251 -230000 ekin = 2.54463522127686 | erot = 2.64454432367535 | epot = -18.4717172020198 | etot = -13.2825376570676 -231000 ekin = 2.54546021784621 | erot = 2.53260284792485 | epot = -18.3606007226861 | etot = -13.282537656915 -232000 ekin = 2.55549307881088 | erot = 2.41545023211296 | epot = -18.2534809677097 | etot = -13.2825376567859 -233000 ekin = 2.57438548648739 | erot = 2.29583418255703 | epot = -18.1527573257026 | etot = -13.2825376566582 -234000 ekin = 2.60178443029265 | erot = 2.17645519655967 | epot = -18.0607772833614 | etot = -13.2825376565091 -235000 ekin = 2.63745218021159 | erot = 2.06012244390588 | epot = -17.9801122804484 | etot = -13.2825376563309 -236000 ekin = 2.68126373962457 | erot = 1.94983176913329 | epot = -17.913633164896 | etot = -13.2825376561382 -237000 ekin = 2.73306880567091 | erot = 1.84868049785708 | epot = -17.8642869594909 | etot = -13.2825376559629 -238000 ekin = 2.79247907581072 | erot = 1.75962709169619 | epot = -17.8346438233477 | etot = -13.2825376558408 -239000 ekin = 2.8586759443782 | erot = 1.68518476454599 | epot = -17.8263983647219 | etot = -13.2825376557977 -240000 ekin = 2.93031183915977 | erot = 1.62715662270393 | epot = -17.8400061177073 | etot = -13.2825376558436 -241000 ekin = 3.00552986743725 | erot = 1.58648515289343 | epot = -17.8745526763034 | etot = -13.2825376559727 -242000 ekin = 3.0820836546572 | erot = 1.56323726723208 | epot = -17.9278585780555 | etot = -13.2825376561662 -243000 ekin = 3.15752262719342 | erot = 1.5567113441869 | epot = -17.9967716277771 | etot = -13.2825376563968 -244000 ekin = 3.22940955213828 | erot = 1.56564064462198 | epot = -18.0775878533929 | etot = -13.2825376566326 -245000 ekin = 3.29554303953914 | erot = 1.58846457359926 | epot = -18.1665452699782 | etot = -13.2825376568398 -246000 ekin = 3.35415939736843 | erot = 1.62363159705077 | epot = -18.2603286514088 | etot = -13.2825376569896 -247000 ekin = 3.40408574270612 | erot = 1.6698832561101 | epot = -18.3565066558791 | etot = -13.2825376570629 -248000 ekin = 3.44481663263181 | erot = 1.72645823945308 | epot = -18.4538125291412 | etot = -13.2825376570563 -249000 ekin = 3.4764966325555 | erot = 1.79316293261092 | epot = -18.5521972221498 | etot = -13.2825376569834 -250000 ekin = 3.4998119290067 | erot = 1.87028571125164 | epot = -18.6526352971293 | etot = -13.2825376568709 -251000 ekin = 3.51581851748171 | erot = 1.95837689015822 | epot = -18.7567330643924 | etot = -13.2825376567524 -252000 ekin = 3.52575126869464 | erot = 2.05795546201286 | epot = -18.8662443873663 | etot = -13.2825376566588 -253000 ekin = 3.53086049262785 | erot = 2.16922084359604 | epot = -18.9826189928353 | etot = -13.2825376566114 -254000 ekin = 3.53230924463609 | erot = 2.29183768672779 | epot = -19.1066845879831 | etot = -13.2825376566192 -255000 ekin = 3.53114146569382 | erot = 2.42483171779584 | epot = -19.2385108401683 | etot = -13.2825376566786 -256000 ekin = 3.5283101054313 | erot = 2.56659937924946 | epot = -19.3774471414593 | etot = -13.2825376567786 -257000 ekin = 3.52473759358279 | erot = 2.71500399460032 | epot = -19.5222792450876 | etot = -13.2825376569044 -258000 ekin = 3.52137545667859 | erot = 2.86751445186624 | epot = -19.6714275655892 | etot = -13.2825376570444 -259000 ekin = 3.51923070409532 | erot = 3.02134046698889 | epot = -19.8231088282769 | etot = -13.2825376571927 -260000 ekin = 3.51933841084553 | erot = 3.17353025732541 | epot = -19.9754063255224 | etot = -13.2825376573514 -261000 ekin = 3.52267851350856 | erot = 3.32101670247704 | epot = -20.1262328735147 | etot = -13.2825376575291 -262000 ekin = 3.53003333480896 | erot = 3.46062452427896 | epot = -20.273195516825 | etot = -13.2825376577371 -263000 ekin = 3.54180424035152 | erot = 3.58907231404775 | epot = -20.413414212382 | etot = -13.2825376579827 -264000 ekin = 3.55787447685305 | erot = 3.70301127793477 | epot = -20.5434234130524 | etot = -13.2825376582646 -265000 ekin = 3.57751330913344 | erot = 3.7991542896344 | epot = -20.659205257334 | etot = -13.2825376585661 -266000 ekin = 3.59938201293793 | erot = 3.87452595150114 | epot = -20.7564456232931 | etot = -13.2825376588541 -267000 ekin = 3.62167235822875 | erot = 3.92682901662434 | epot = -20.8310390339348 | etot = -13.2825376590817 -268000 ekin = 3.64237343768071 | erot = 3.95486700975834 | epot = -20.8797781066388 | etot = -13.2825376591998 -269000 ekin = 3.65961533754883 | erot = 3.95890941485168 | epot = -20.901062411575 | etot = -13.2825376591745 -270000 ekin = 3.67198713217814 | erot = 3.94085700806684 | epot = -20.8953817992463 | etot = -13.2825376590013 -271000 ekin = 3.67872329079258 | erot = 3.90410726329523 | epot = -20.8653682127982 | etot = -13.2825376587104 -272000 ekin = 3.67969720542176 | erot = 3.85312017496781 | epot = -20.8153550387471 | etot = -13.2825376583575 -273000 ekin = 3.67523785304564 | erot = 3.79279347421287 | epot = -20.7505689852647 | etot = -13.2825376580062 -274000 ekin = 3.66585545030596 | erot = 3.72781503527706 | epot = -20.6762081432927 | etot = -13.2825376577096 -275000 ekin = 3.65198266149159 | erot = 3.66213927987052 | epot = -20.5966595988631 | etot = -13.282537657501 -276000 ekin = 3.633806837076 | erot = 3.598661459447 | epot = -20.5150059539148 | etot = -13.2825376573918 -277000 ekin = 3.61121443635146 | erot = 3.53909052619933 | epot = -20.4328426199275 | etot = -13.2825376573767 -278000 ekin = 3.58382533557885 | erot = 3.48398196201195 | epot = -20.3503449550305 | etot = -13.2825376574397 -279000 ekin = 3.55107927466721 | erot = 3.4328876768366 | epot = -20.2665046090618 | etot = -13.282537657558 -280000 ekin = 3.51234648871563 | erot = 3.38459301004919 | epot = -20.1794771564681 | etot = -13.2825376577033 -281000 ekin = 3.46705217022193 | erot = 3.33742016501543 | epot = -20.0870099930804 | etot = -13.282537657843 -282000 ekin = 3.4148174354963 | erot = 3.28957539031067 | epot = -19.98693048375 | etot = -13.2825376579431 -283000 ekin = 3.3556172386103 | erot = 3.23950140187567 | epot = -19.877656298458 | etot = -13.282537657972 -284000 ekin = 3.28993990743714 | erot = 3.18617834963481 | epot = -19.7586559149802 | etot = -13.2825376579083 -285000 ekin = 3.21891605429293 | erot = 3.12930993710548 | epot = -19.6307636491448 | etot = -13.2825376577464 -286000 ekin = 3.14439051761724 | erot = 3.06934998331701 | epot = -19.4962781582955 | etot = -13.2825376573613 -287000 ekin = 3.06960009495595 | erot = 3.00728050107418 | epot = -19.3594182531578 | etot = -13.2825376571276 -288000 ekin = 2.99759349423582 | erot = 2.94413656453561 | epot = -19.2242677156211 | etot = -13.2825376568497 -289000 ekin = 2.9312259032696 | erot = 2.88109280424398 | epot = -19.0948563640673 | etot = -13.2825376565537 -290000 ekin = 2.87364775959538 | erot = 2.81936189019795 | epot = -18.9755473060557 | etot = -13.2825376562624 -291000 ekin = 2.82808392253236 | erot = 2.76008269212129 | epot = -18.8707042706456 | etot = -13.2825376559919 -292000 ekin = 2.79759576436007 | erot = 2.70430482357457 | epot = -18.7844382436883 | etot = -13.2825376557537 -293000 ekin = 2.78483509079594 | erot = 2.65304729582258 | epot = -18.7204200421757 | etot = -13.2825376555571 -294000 ekin = 2.79179688861819 | erot = 2.6073808528377 | epot = -18.6817153968698 | etot = -13.2825376554139 -295000 ekin = 2.81957934527721 | erot = 2.56847294066555 | epot = -18.6705899412834 | etot = -13.2825376553406 -296000 ekin = 2.8680999060561 | erot = 2.53696733690384 | epot = -18.6876048985713 | etot = -13.2825376556114 -297000 ekin = 2.93560102202648 | erot = 2.51254790532835 | epot = -18.7306865831678 | etot = -13.282537655813 -298000 ekin = 3.01880409347916 | erot = 2.49548083197819 | epot = -18.7968225815706 | etot = -13.2825376561132 -299000 ekin = 3.11317674937778 | erot = 2.48585279572497 | epot = -18.8815672015859 | etot = -13.2825376564832 -300000 ekin = 3.21328607489953 | erot = 2.48363458984354 | epot = -18.9794583216121 | etot = -13.2825376568691 -301000 ekin = 3.31333985043737 | erot = 2.48892965616517 | epot = -19.0848071638044 | etot = -13.2825376572019 -302000 ekin = 3.40783628219689 | erot = 2.50232511253499 | epot = -19.1926990521496 | etot = -13.2825376574178 -303000 ekin = 3.49218145837487 | erot = 2.52518642841966 | epot = -19.2999055442772 | etot = -13.2825376574827 -304000 ekin = 3.56312110363183 | erot = 2.55971045465174 | epot = -19.40536921569 | etot = -13.2825376574064 -305000 ekin = 3.61888774143317 | erot = 2.60863169692503 | epot = -19.5100570955986 | etot = -13.2825376572404 -306000 ekin = 3.65906113322132 | erot = 2.67462381277541 | epot = -19.6162226030555 | etot = -13.2825376570587 -307000 ekin = 3.68422703808102 | erot = 2.75956355882423 | epot = -19.7263282538406 | etot = -13.2825376569354 -308000 ekin = 3.69555713019525 | erot = 2.8638613267912 | epot = -19.8419561139128 | etot = -13.2825376569263 -309000 ekin = 3.69442216794192 | erot = 2.98601798220163 | epot = -19.9629778072027 | etot = -13.2825376570592 -310000 ekin = 3.68211177280713 | erot = 3.12248873496362 | epot = -20.0871381651019 | etot = -13.2825376573311 -311000 ekin = 3.65969154495059 | erot = 3.2678638211702 | epot = -20.2100930238326 | etot = -13.2825376577118 -312000 ekin = 3.62799191203365 | erot = 3.41533011396099 | epot = -20.3258596841441 | etot = -13.2825376581495 -313000 ekin = 3.58770577443554 | erot = 3.55735172711468 | epot = -20.4275951601301 | etot = -13.2825376585799 -314000 ekin = 3.53954680683451 | erot = 3.68647834911027 | epot = -20.5085628148818 | etot = -13.282537658937 -315000 ekin = 3.4844173114834 | erot = 3.79616777476322 | epot = -20.5631227454116 | etot = -13.282537659165 -316000 ekin = 3.42353216211074 | erot = 3.88149414080693 | epot = -20.5875639621475 | etot = -13.2825376592299 -317000 ekin = 3.35845872751502 | erot = 3.93962315500785 | epot = -20.5806195416482 | etot = -13.2825376591254 -318000 ekin = 3.2910554651844 | erot = 3.96997627515888 | epot = -20.5435693992165 | etot = -13.2825376588732 -319000 ekin = 3.223320732024 | erot = 3.97407140328373 | epot = -20.479929793824 | etot = -13.2825376585163 -320000 ekin = 3.15718962490234 | erot = 3.9550982666567 | epot = -20.3948255496666 | etot = -13.2825376581075 -321000 ekin = 3.09432530925327 | erot = 3.91739375694779 | epot = -20.2942567238311 | etot = -13.28253765763 -322000 ekin = 3.03585792728448 | erot = 3.86620572599247 | epot = -20.1846013105892 | etot = -13.2825376573123 -323000 ekin = 2.98241823057113 | erot = 3.80588679425271 | epot = -20.0708426818646 | etot = -13.2825376570408 -324000 ekin = 2.93426965651669 | erot = 3.74025042750917 | epot = -19.9570577408439 | etot = -13.2825376568181 -325000 ekin = 2.89141991680417 | erot = 3.67265058789432 | epot = -19.8466081613358 | etot = -13.2825376566373 -326000 ekin = 2.85377350486309 | erot = 3.60592095018933 | epot = -19.7422321115398 | etot = -13.2825376564874 -327000 ekin = 2.82127903352093 | erot = 3.54238718474863 | epot = -19.6462038746274 | etot = -13.2825376563578 -328000 ekin = 2.7940403019229 | erot = 3.4839107987806 | epot = -19.5604887570628 | etot = -13.2825376563592 -329000 ekin = 2.77197949436762 | erot = 3.43169110626222 | epot = -19.4862082569527 | etot = -13.2825376563229 -330000 ekin = 2.75494613632944 | erot = 3.38614869284798 | epot = -19.4236324854868 | etot = -13.2825376563094 -331000 ekin = 2.74315934445212 | erot = 3.34732307626857 | epot = -19.3730200770426 | etot = -13.2825376563219 -332000 ekin = 2.73688271481215 | erot = 3.3148484337223 | epot = -19.3342688048984 | etot = -13.282537656364 -333000 ekin = 2.73633973950942 | erot = 3.28798960596993 | epot = -19.306867001918 | etot = -13.2825376564386 -334000 ekin = 2.74163678826744 | erot = 3.26568447791269 | epot = -19.2898589227258 | etot = -13.2825376565456 -335000 ekin = 2.75270974558534 | erot = 3.24660647154451 | epot = -19.2818538738101 | etot = -13.2825376566802 -336000 ekin = 2.76930297431775 | erot = 3.22925893950186 | epot = -19.2810995706518 | etot = -13.2825376568322 -337000 ekin = 2.79098432744158 | erot = 3.21211025351894 | epot = -19.2856322379462 | etot = -13.2825376569857 -338000 ekin = 2.81719266282506 | erot = 3.19377253885645 | epot = -19.2935028588025 | etot = -13.282537657121 -339000 ekin = 2.84730801445539 | erot = 3.17321131001621 | epot = -19.3030569816891 | etot = -13.2825376572175 -340000 ekin = 2.88072770851369 | erot = 3.14995757252084 | epot = -19.3132229382919 | etot = -13.2825376572574 -341000 ekin = 2.91693042220102 | erot = 3.12427992089927 | epot = -19.3237480003323 | etot = -13.282537657232 -342000 ekin = 2.95550483676992 | erot = 3.09726362719681 | epot = -19.3353061211116 | etot = -13.2825376571449 -343000 ekin = 2.9961267955816 | erot = 3.07075651726459 | epot = -19.3494209698604 | etot = -13.2825376570142 -344000 ekin = 3.03848111852457 | erot = 3.04717169214071 | epot = -19.3681904675347 | etot = -13.2825376568694 -345000 ekin = 3.08214069495797 | erot = 3.02917600552114 | epot = -19.3938543572237 | etot = -13.2825376567446 -346000 ekin = 3.12643023842184 | erot = 3.019323916367 | epot = -19.4282918114614 | etot = -13.2825376566725 -347000 ekin = 3.17030571950563 | erot = 3.01970377197954 | epot = -19.4725471481646 | etot = -13.2825376566794 -348000 ekin = 3.21227615188227 | erot = 3.03164750475753 | epot = -19.5264613134215 | etot = -13.2825376567817 -349000 ekin = 3.25037907572045 | erot = 3.05552302028484 | epot = -19.5884397529928 | etot = -13.2825376569875 -350000 ekin = 3.28221302801698 | erot = 3.090612077422 | epot = -19.655362762734 | etot = -13.282537657295 -351000 ekin = 3.30503586845675 | erot = 3.13508039752096 | epot = -19.7226539236659 | etot = -13.2825376576882 -352000 ekin = 3.31595350171735 | erot = 3.18605925818043 | epot = -19.7845504180312 | etot = -13.2825376581334 -353000 ekin = 3.31222586318789 | erot = 3.2398547104606 | epot = -19.8346182322276 | etot = -13.2825376585791 -354000 ekin = 3.29169173965575 | erot = 3.29228360641242 | epot = -19.8665130050276 | etot = -13.2825376589594 -355000 ekin = 3.25327251248046 | erot = 3.33911881639371 | epot = -19.8749289880786 | etot = -13.2825376592044 -356000 ekin = 3.19745645460935 | erot = 3.37659336434066 | epot = -19.8565874782071 | etot = -13.2825376592571 -357000 ekin = 3.12661218039488 | erot = 3.40186563883939 | epot = -19.8110154783303 | etot = -13.282537659096 -358000 ekin = 3.04496261886749 | erot = 3.41331336007688 | epot = -19.7408136376952 | etot = -13.2825376587508 -359000 ekin = 2.95811577563389 | erot = 3.41055161315594 | epot = -19.65120504709 | etot = -13.2825376583002 -360000 ekin = 2.87219670777466 | erot = 3.39416675335385 | epot = -19.5489011189775 | etot = -13.282537657849 -361000 ekin = 2.79279437102923 | erot = 3.36527462495985 | epot = -19.4406066534821 | etot = -13.282537657493 -362000 ekin = 2.7240341162549 | erot = 3.32507906116193 | epot = -19.331650834705 | etot = -13.2825376572881 -363000 ekin = 2.6680503223993 | erot = 3.27458936074052 | epot = -19.2251773403761 | etot = -13.2825376572363 -364000 ekin = 2.62498064266483 | erot = 3.21457203232936 | epot = -19.1220903322872 | etot = -13.282537657293 -365000 ekin = 2.59341335852256 | erot = 3.14571210015879 | epot = -19.0216631160705 | etot = -13.2825376573892 -366000 ekin = 2.57108401614146 | erot = 3.06888690043657 | epot = -18.9225085740357 | etot = -13.2825376574577 -367000 ekin = 2.55558493490922 | erot = 2.98543100060401 | epot = -18.8235535929648 | etot = -13.2825376574516 -368000 ekin = 2.54491188940874 | erot = 2.89729436784111 | epot = -18.7247439146015 | etot = -13.2825376573517 -369000 ekin = 2.53777310784828 | erot = 2.80704690677514 | epot = -18.6273576717881 | etot = -13.2825376571646 -370000 ekin = 2.53338825950351 | erot = 2.71819995751228 | epot = -18.5341258738832 | etot = -13.2825376568674 -371000 ekin = 2.53146597101795 | erot = 2.63443214139539 | epot = -18.4484357690378 | etot = -13.2825376566244 -372000 ekin = 2.53305224681573 | erot = 2.55818112001752 | epot = -18.3737710231763 | etot = -13.282537656343 -373000 ekin = 2.53983164211189 | erot = 2.49190590621672 | epot = -18.314275204369 | etot = -13.2825376560404 -374000 ekin = 2.5539361342706 | erot = 2.43803861080169 | epot = -18.2745124008035 | etot = -13.2825376557312 -375000 ekin = 2.57759599288755 | erot = 2.39898190221675 | epot = -18.2591155506456 | etot = -13.2825376555413 -376000 ekin = 2.61177868596779 | erot = 2.3771002007207 | epot = -18.2714165420646 | etot = -13.2825376553761 -377000 ekin = 2.65778740675903 | erot = 2.37359397109588 | epot = -18.313919033141 | etot = -13.2825376552861 -378000 ekin = 2.71669984604403 | erot = 2.38881656768454 | epot = -18.3880540690293 | etot = -13.2825376553007 -379000 ekin = 2.78887075408053 | erot = 2.42222171828729 | epot = -18.493630127821 | etot = -13.2825376554532 -380000 ekin = 2.8735893047097 | erot = 2.47221119730624 | epot = -18.6283381577863 | etot = -13.2825376557704 -381000 ekin = 2.96878304795772 | erot = 2.53604633164126 | epot = -18.7873670358596 | etot = -13.2825376562607 -382000 ekin = 3.07087981816342 | erot = 2.60989110069439 | epot = -18.9633085757602 | etot = -13.2825376569024 -383000 ekin = 3.17493836101257 | erot = 2.68903209116691 | epot = -19.1465081098174 | etot = -13.2825376576379 -384000 ekin = 3.27511217440233 | erot = 2.76828123033647 | epot = -19.3259310631177 | etot = -13.2825376583789 -385000 ekin = 3.36541347868712 | erot = 2.84251901104278 | epot = -19.4904701487519 | etot = -13.282537659022 -386000 ekin = 3.44062041949954 | erot = 2.90728609466352 | epot = -19.6304441736393 | etot = -13.2825376594762 -387000 ekin = 3.49708416826315 | erot = 2.95929717263814 | epot = -19.7389190005894 | etot = -13.2825376596881 -388000 ekin = 3.53320899932111 | erot = 2.99676007578797 | epot = -19.8125067347609 | etot = -13.2825376596518 -389000 ekin = 3.5495047719137 | erot = 3.01944441497906 | epot = -19.8514868462961 | etot = -13.2825376594033 -390000 ekin = 3.54826504042848 | erot = 3.02852374317564 | epot = -19.8593264426069 | etot = -13.2825376590028 -391000 ekin = 3.53302701092198 | erot = 3.02626577204788 | epot = -19.8418304414875 | etot = -13.2825376585177 -392000 ekin = 3.50797457908343 | erot = 3.01564117086773 | epot = -19.8061534079638 | etot = -13.2825376580127 -393000 ekin = 3.47739262395909 | erot = 2.99988985775782 | epot = -19.7598201392632 | etot = -13.2825376575463 -394000 ekin = 3.44522282252996 | erot = 2.98206454116529 | epot = -19.7098250208642 | etot = -13.282537657169 -395000 ekin = 3.41473630917387 | erot = 2.9645789212076 | epot = -19.6618528873007 | etot = -13.2825376569193 -396000 ekin = 3.38832727675903 | erot = 2.94881280953917 | epot = -19.6196777431179 | etot = -13.2825376568196 -397000 ekin = 3.36743033117465 | erot = 2.93484808693188 | epot = -19.5848160749774 | etot = -13.2825376568709 -398000 ekin = 3.35256101408384 | erot = 2.92141113768411 | epot = -19.5565098088173 | etot = -13.2825376570493 -399000 ekin = 3.34346845310144 | erot = 2.90607029857573 | epot = -19.5320764089866 | etot = -13.2825376573094 -400000 ekin = 3.33937255609437 | erot = 2.88568094014063 | epot = -19.5075911538258 | etot = -13.2825376575908 -401000 ekin = 3.33924190395899 | erot = 2.85700017339502 | epot = -19.4787797351863 | etot = -13.2825376578323 -402000 ekin = 3.34205998353892 | erot = 2.81733492843204 | epot = -19.441932569956 | etot = -13.282537657985 -403000 ekin = 3.34703246955511 | erot = 2.76507190137545 | epot = -19.394642028952 | etot = -13.2825376580215 -404000 ekin = 3.35370775612911 | erot = 2.69997817544774 | epot = -19.3362235895154 | etot = -13.2825376579385 -405000 ekin = 3.36200495975409 | erot = 2.62323862901266 | epot = -19.2677812465193 | etot = -13.2825376577526 -406000 ekin = 3.37216882210879 | erot = 2.53727277109617 | epot = -19.1919792506971 | etot = -13.2825376574921 -407000 ekin = 3.38467286642281 | erot = 2.44541531528747 | epot = -19.1126258389005 | etot = -13.2825376571902 -408000 ekin = 3.40009251679172 | erot = 2.35154628927638 | epot = -19.0341764629477 | etot = -13.2825376568796 -409000 ekin = 3.41896361161102 | erot = 2.25973253002432 | epot = -18.9612337982252 | etot = -13.2825376565899 -410000 ekin = 3.44163818667578 | erot = 2.17391337707833 | epot = -18.8980892201011 | etot = -13.282537656347 -411000 ekin = 3.46814489278265 | erot = 2.09764003834874 | epot = -18.8483225873038 | etot = -13.2825376561724 -412000 ekin = 3.49806473021384 | erot = 2.03386747107535 | epot = -18.8144698573718 | etot = -13.2825376560826 -413000 ekin = 3.53043538014641 | erot = 1.98479597299823 | epot = -18.7977690092331 | etot = -13.2825376560885 -414000 ekin = 3.5637005865262 | erot = 1.95176512736844 | epot = -18.7980033700874 | etot = -13.2825376561927 -415000 ekin = 3.59572274043577 | erot = 1.93521132484319 | epot = -18.8134717216665 | etot = -13.2825376563875 -416000 ekin = 3.62387476619239 | erot = 1.93470676736698 | epot = -18.8411191902125 | etot = -13.2825376566531 -417000 ekin = 3.64521944272459 | erot = 1.94909657754553 | epot = -18.8768536772273 | etot = -13.2825376569572 -418000 ekin = 3.65676940727035 | erot = 1.97673635559896 | epot = -18.9160434201279 | etot = -13.2825376572586 -419000 ekin = 3.65580092830618 | erot = 2.01580487492028 | epot = -18.9541434607407 | etot = -13.2825376575142 -420000 ekin = 3.64017400050736 | erot = 2.06463212116818 | epot = -18.9873437793641 | etot = -13.2825376576886 -421000 ekin = 3.60860065288865 | erot = 2.12196023054627 | epot = -19.0130985411983 | etot = -13.2825376577633 -422000 ekin = 3.56080810554219 | erot = 2.18705814556919 | epot = -19.0304039088537 | etot = -13.2825376577423 -423000 ekin = 3.49756602992945 | erot = 2.25964754075635 | epot = -19.0397512283355 | etot = -13.2825376576497 -424000 ekin = 3.42057977942507 | erot = 2.33965549129906 | epot = -19.0427729282473 | etot = -13.2825376575231 -425000 ekin = 3.33228159149811 | erot = 2.42686463918893 | epot = -19.0416838880909 | etot = -13.2825376574039 -426000 ekin = 3.2355690960636 | erot = 2.52056283158548 | epot = -19.0386695849744 | etot = -13.2825376573253 -427000 ekin = 3.13354188401682 | erot = 2.61929302170817 | epot = -19.0353725630316 | etot = -13.2825376573066 -428000 ekin = 3.02927593448342 | erot = 2.72077464105999 | epot = -19.0325882328923 | etot = -13.2825376573489 -429000 ekin = 2.92565831326665 | erot = 2.82201873865516 | epot = -19.03021470936 | etot = -13.2825376574382 -430000 ekin = 2.82528572275416 | erot = 2.9196013800765 | epot = -19.0274247603835 | etot = -13.2825376575529 -431000 ekin = 2.73041359107529 | erot = 3.01000711728887 | epot = -19.0229583660374 | etot = -13.2825376576732 -432000 ekin = 2.64293211741183 | erot = 3.08992822754027 | epot = -19.0153980027419 | etot = -13.2825376577898 -433000 ekin = 2.5643487123274 | erot = 3.15643021828688 | epot = -19.0033165885191 | etot = -13.2825376579049 -434000 ekin = 2.49577139885486 | erot = 3.20696626802801 | epot = -18.9852753249085 | etot = -13.2825376580257 -435000 ekin = 2.43791477049345 | erot = 3.23932321271082 | epot = -18.9597756413533 | etot = -13.282537658149 -436000 ekin = 2.39117206292075 | erot = 3.25164920249633 | epot = -18.9253589236664 | etot = -13.2825376582494 -437000 ekin = 2.35579129858636 | erot = 3.24269240916056 | epot = -18.8810213660233 | etot = -13.2825376582763 -438000 ekin = 2.33215137598552 | erot = 3.2122573583515 | epot = -18.8269463925089 | etot = -13.2825376581719 -439000 ekin = 2.32106357051098 | erot = 3.16171527167181 | epot = -18.7653165000812 | etot = -13.2825376578984 -440000 ekin = 2.32396046468774 | erot = 3.09429994298168 | epot = -18.7007980651355 | etot = -13.282537657466 -441000 ekin = 2.34282585391452 | erot = 3.01497153468354 | epot = -18.640335045538 | etot = -13.2825376569399 -442000 ekin = 2.37979980925604 | erot = 2.92981680804556 | epot = -18.592154273725 | etot = -13.2825376564234 -443000 ekin = 2.43656228551105 | erot = 2.84513622245103 | epot = -18.5642361639989 | etot = -13.2825376560368 -444000 ekin = 2.51342571777136 | erot = 2.7665603961214 | epot = -18.5625237697588 | etot = -13.2825376558661 -445000 ekin = 2.60880718707288 | erot = 2.69827998895654 | epot = -18.5896248319851 | etot = -13.2825376559556 -446000 ekin = 2.71906096767751 | erot = 2.64257205052438 | epot = -18.6441706744987 | etot = -13.2825376562969 -447000 ekin = 2.83874401672896 | erot = 2.59965346897449 | epot = -18.7209351425399 | etot = -13.2825376568365 -448000 ekin = 2.96126772415897 | erot = 2.5678148089411 | epot = -18.8116201905962 | etot = -13.2825376574961 -449000 ekin = 3.07973256248984 | erot = 2.54376856118504 | epot = -18.9060387818655 | etot = -13.2825376581906 -450000 ekin = 3.18773299393897 | erot = 2.52315582293486 | epot = -18.9934264757104 | etot = -13.2825376588365 -451000 ekin = 3.28001368753319 | erot = 2.50120181208189 | epot = -19.063753158964 | etot = -13.2825376593489 -452000 ekin = 3.35296274689406 | erot = 2.47353158346045 | epot = -19.1090319899994 | etot = -13.2825376596449 -453000 ekin = 3.40494017429965 | erot = 2.43707428125779 | epot = -19.1245521152213 | etot = -13.2825376596638 -454000 ekin = 3.43637551402205 | erot = 2.39082250837186 | epot = -19.1097356817972 | etot = -13.2825376594033 -455000 ekin = 3.44952760873151 | erot = 2.33613006950087 | epot = -19.0681953371467 | etot = -13.2825376589143 -456000 ekin = 3.44799144671739 | erot = 2.27640153123032 | epot = -19.0069306362556 | etot = -13.2825376583079 -457000 ekin = 3.43601809741101 | erot = 2.21623652990966 | epot = -18.9347922850214 | etot = -13.2825376577007 -458000 ekin = 3.41788845142157 | erot = 2.1603621628938 | epot = -18.8607882715007 | etot = -13.2825376571853 -459000 ekin = 3.39749151939687 | erot = 2.11268532597155 | epot = -18.7927145021832 | etot = -13.2825376568148 -460000 ekin = 3.37812232252718 | erot = 2.07567909161626 | epot = -18.7363390707458 | etot = -13.2825376566023 -461000 ekin = 3.36231617612891 | erot = 2.05042996966763 | epot = -18.695283802365 | etot = -13.2825376565685 -462000 ekin = 3.3516010060682 | erot = 2.03669678982626 | epot = -18.6708354525534 | etot = -13.2825376566589 -463000 ekin = 3.34749626496938 | erot = 2.03201016323612 | epot = -18.6620440849644 | etot = -13.2825376567589 -464000 ekin = 3.35152548102323 | erot = 2.03372508145255 | epot = -18.6677882192986 | etot = -13.2825376568228 -465000 ekin = 3.36505604034897 | erot = 2.03980035193984 | epot = -18.6873940492544 | etot = -13.2825376569656 -466000 ekin = 3.38750814155411 | erot = 2.04917645651097 | epot = -18.7192222551879 | etot = -13.2825376571228 -467000 ekin = 3.41781846537007 | erot = 2.06078922447704 | epot = -18.7611453471536 | etot = -13.2825376573065 -468000 ekin = 3.45442517050212 | erot = 2.07383123667033 | epot = -18.8107940646966 | etot = -13.2825376575241 -469000 ekin = 3.49517146555834 | erot = 2.08763407955762 | epot = -18.8653432028907 | etot = -13.2825376577748 -470000 ekin = 3.53754304391518 | erot = 2.10145518357448 | epot = -18.9215358855326 | etot = -13.2825376580429 -471000 ekin = 3.57898487463084 | erot = 2.11439735084177 | epot = -18.9759198837659 | etot = -13.2825376582933 -472000 ekin = 3.61725786632598 | erot = 2.12555669055681 | epot = -19.0253522153561 | etot = -13.2825376584733 -473000 ekin = 3.65079380576263 | erot = 2.13440730770723 | epot = -19.0677387719965 | etot = -13.2825376585267 -474000 ekin = 3.67897471803139 | erot = 2.14127953357929 | epot = -19.1027919100348 | etot = -13.2825376584241 -475000 ekin = 3.70221628145293 | erot = 2.14765507905513 | epot = -19.1324090186972 | etot = -13.2825376581891 -476000 ekin = 3.72174790903021 | erot = 2.15602304576331 | epot = -19.1603086126937 | etot = -13.2825376579002 -477000 ekin = 3.73912018616709 | erot = 2.16928365664513 | epot = -19.1909415004644 | etot = -13.2825376576521 -478000 ekin = 3.75565100638758 | erot = 2.1899930971983 | epot = -19.2281817610922 | etot = -13.2825376575063 -479000 ekin = 3.77207488928686 | erot = 2.21984602917254 | epot = -19.2744585759276 | etot = -13.2825376574682 -480000 ekin = 3.78851866246341 | erot = 2.25959918548815 | epot = -19.3306555054526 | etot = -13.282537657501 -481000 ekin = 3.80616995061591 | erot = 2.3098465976453 | epot = -19.3985542055315 | etot = -13.2825376572703 -482000 ekin = 3.82906961959049 | erot = 2.37155747933625 | epot = -19.4831647566213 | etot = -13.2825376576945 -483000 ekin = 3.85390461343261 | erot = 2.44250735313214 | epot = -19.5789496246827 | etot = -13.2825376581179 -484000 ekin = 3.87679301499658 | erot = 2.51997841364319 | epot = -19.67930908719 | etot = -13.2825376585502 -485000 ekin = 3.89418558521177 | erot = 2.6008312618536 | epot = -19.7775545060503 | etot = -13.2825376589849 -486000 ekin = 3.90313775339899 | erot = 2.68139032002724 | epot = -19.8670657328067 | etot = -13.2825376593805 -487000 ekin = 3.90177537850701 | erot = 2.75761792311815 | epot = -19.9419309612886 | etot = -13.2825376596635 -488000 ekin = 3.889862131621 | erot = 2.82561628023752 | epot = -19.9980160716145 | etot = -13.282537659756 -489000 ekin = 3.86922231453781 | erot = 2.88229752819473 | epot = -20.0340575023524 | etot = -13.2825376596199 -490000 ekin = 3.84371636435403 | erot = 2.92590481083913 | epot = -20.0521588344865 | etot = -13.2825376592933 -491000 ekin = 3.81858290487071 | erot = 2.9560720610093 | epot = -20.0571926247727 | etot = -13.2825376588927 -492000 ekin = 3.79923632244415 | erot = 2.97333279544435 | epot = -20.0551067764556 | etot = -13.2825376585671 -493000 ekin = 3.78992062784184 | erot = 2.97831679174276 | epot = -20.0507750780124 | etot = -13.2825376584278 -494000 ekin = 3.79229313456423 | erot = 2.9705277109171 | epot = -20.0453585079524 | etot = -13.282537662471 -495000 ekin = 3.79451442394719 | erot = 2.93410724508575 | epot = -20.011159328423 | etot = -13.28253765939 -496000 ekin = 3.81062488236668 | erot = 2.88141942471639 | epot = -19.9745819636242 | etot = -13.2825376565411 -497000 ekin = 3.85788186105167 | erot = 2.8337274407664 | epot = -19.9741469603156 | etot = -13.2825376584975 -498000 ekin = 3.91884579383985 | erot = 2.78115548049834 | epot = -19.9825389376995 | etot = -13.2825376633613 -499000 ekin = 3.96315793686362 | erot = 2.70246806480193 | epot = -19.9481636596236 | etot = -13.2825376579581 -500000 ekin = 4.00272057627429 | erot = 2.6104605460005 | epot = -19.8957187797396 | etot = -13.2825376574648 -501000 ekin = 4.04216054274959 | erot = 2.51312796102747 | epot = -19.8378261606831 | etot = -13.2825376569061 -502000 ekin = 4.08330148514055 | erot = 2.41632704308052 | epot = -19.7821661846333 | etot = -13.2825376564122 -503000 ekin = 4.12765179374079 | erot = 2.32533692996321 | epot = -19.7355263797777 | etot = -13.2825376560737 -504000 ekin = 4.17571661390362 | erot = 2.24418432884543 | epot = -19.7024385986737 | etot = -13.2825376559247 -505000 ekin = 4.22673456415084 | erot = 2.17536462285507 | epot = -19.6846368429506 | etot = -13.2825376559447 -506000 ekin = 4.27886046446231 | erot = 2.11995169726186 | epot = -19.6813498177051 | etot = -13.2825376559809 -507000 ekin = 4.32989839510322 | erot = 2.07798999627042 | epot = -19.6904260476131 | etot = -13.2825376562394 -508000 ekin = 4.3768369745921 | erot = 2.0484622335072 | epot = -19.7078368645372 | etot = -13.2825376564379 -509000 ekin = 4.41701088937313 | erot = 2.0304046125134 | epot = -19.7299531584259 | etot = -13.2825376565393 -510000 ekin = 4.44869291188757 | erot = 2.0233924534456 | epot = -19.7546230218699 | etot = -13.2825376565367 -511000 ekin = 4.47114700664101 | erot = 2.02761863548855 | epot = -19.7813032985787 | etot = -13.2825376564492 -512000 ekin = 4.48448870189135 | erot = 2.04375687850346 | epot = -19.8107832368134 | etot = -13.2825376564186 -513000 ekin = 4.48914630707508 | erot = 2.07205454687262 | epot = -19.8437385103018 | etot = -13.2825376563541 -514000 ekin = 4.48557666179932 | erot = 2.11236294794912 | epot = -19.880477266066 | etot = -13.2825376563175 -515000 ekin = 4.47432723707008 | erot = 2.16436581139646 | epot = -19.9212307047954 | etot = -13.2825376563288 -516000 ekin = 4.45582679665326 | erot = 2.22719069336678 | epot = -19.9655551464159 | etot = -13.2825376563958 -517000 ekin = 4.43030463229704 | erot = 2.29935278530235 | epot = -20.0121950741138 | etot = -13.2825376565144 -518000 ekin = 4.39778184135852 | erot = 2.37880116113811 | epot = -20.0591206591697 | etot = -13.282537656673 -519000 ekin = 4.35811170485676 | erot = 2.46303435402768 | epot = -20.1036837157425 | etot = -13.2825376568581 -520000 ekin = 4.31103971552051 | erot = 2.54924277018622 | epot = -20.1428201427636 | etot = -13.2825376570569 -521000 ekin = 4.25625922128501 | erot = 2.63444730370309 | epot = -20.173244182248 | etot = -13.2825376572599 -522000 ekin = 4.19345339504261 | erot = 2.71562973710984 | epot = -20.1916207896092 | etot = -13.2825376574568 -523000 ekin = 4.12233106589696 | erot = 2.78987661785769 | epot = -20.1947453413877 | etot = -13.2825376576331 -524000 ekin = 4.04267462478795 | erot = 2.85456825314245 | epot = -20.1797805356988 | etot = -13.2825376577684 -525000 ekin = 3.95441508753717 | erot = 2.90762892529157 | epot = -20.1445816706651 | etot = -13.2825376578364 -526000 ekin = 3.85773415549755 | erot = 2.94781757723194 | epot = -20.0880893905407 | etot = -13.2825376578112 -527000 ekin = 3.75317337789126 | erot = 2.97499774805777 | epot = -20.0107087836244 | etot = -13.2825376576754 -528000 ekin = 3.6417156647281 | erot = 2.99029287548742 | epot = -19.9145462004724 | etot = -13.2825376602569 -529000 ekin = 3.5213345798146 | erot = 2.97329981123624 | epot = -19.7771720480706 | etot = -13.2825376570198 -530000 ekin = 3.40524483354961 | erot = 2.93138498576056 | epot = -19.6191674717665 | etot = -13.2825376524564 -531000 ekin = 3.31329586024631 | erot = 2.90771179337398 | epot = -19.503545306618 | etot = -13.2825376529977 -532000 ekin = 3.23028138423145 | erot = 2.91095227687854 | epot = -19.4237713182462 | etot = -13.2825376571362 -533000 ekin = 3.12254472504979 | erot = 2.92159652025145 | epot = -19.3266789030896 | etot = -13.2825376577884 -534000 ekin = 3.01044793877335 | erot = 2.93913625615111 | epot = -19.2321218524839 | etot = -13.2825376575594 -535000 ekin = 2.90665974197989 | erot = 2.96765394779521 | epot = -19.1568513472187 | etot = -13.2825376574435 -536000 ekin = 2.81267447143307 | erot = 3.00750648802701 | epot = -19.1027186169091 | etot = -13.282537657449 -537000 ekin = 2.72954271624314 | erot = 3.05761918512468 | epot = -19.0696995589408 | etot = -13.282537657573 -538000 ekin = 2.65787075123318 | erot = 3.1155333628036 | epot = -19.0559417718371 | etot = -13.2825376578003 -539000 ekin = 2.59787048049701 | erot = 3.17759265897041 | epot = -19.058000797571 | etot = -13.2825376581036 -540000 ekin = 2.54945648890533 | erot = 3.23927692411588 | epot = -19.0712710714641 | etot = -13.2825376584429 -541000 ekin = 2.51237864339879 | erot = 3.29568121874551 | epot = -19.0905975209143 | etot = -13.28253765877 -542000 ekin = 2.48636877597475 | erot = 3.34210880590418 | epot = -19.1110152409131 | etot = -13.2825376590342 -543000 ekin = 2.47126990556773 | erot = 3.37470651251081 | epot = -19.1285140772705 | etot = -13.282537659192 -544000 ekin = 2.46711428277069 | erot = 3.39103758941789 | epot = -19.1406895314063 | etot = -13.2825376592177 -545000 ekin = 2.47411735000801 | erot = 3.39046709617408 | epot = -19.1471221052938 | etot = -13.2825376591117 -546000 ekin = 2.49256786330982 | erot = 3.37425739407446 | epot = -19.1493629162877 | etot = -13.2825376589034 -547000 ekin = 2.52261985355643 | erot = 3.34533431810425 | epot = -19.1504918303061 | etot = -13.2825376586455 -548000 ekin = 2.56402294022763 | erot = 3.30777050324809 | epot = -19.1543311018765 | etot = -13.2825376584007 -549000 ekin = 2.61585467172408 | erot = 3.26610888708041 | epot = -19.1645012170318 | etot = -13.2825376582273 -550000 ekin = 2.67632806502137 | erot = 3.22468583527721 | epot = -19.1835515584625 | etot = -13.2825376581639 -551000 ekin = 2.74273542047784 | erot = 3.18709627675137 | epot = -19.212369355452 | etot = -13.2825376582228 -552000 ekin = 2.81155537633641 | erot = 3.15588528380799 | epot = -19.2499783185349 | etot = -13.2825376583905 -553000 ekin = 2.87870715456312 | erot = 3.13247774360667 | epot = -19.2937225568045 | etot = -13.2825376586348 -554000 ekin = 2.93989960588913 | erot = 3.11729757853032 | epot = -19.3397348433338 | etot = -13.2825376589144 -555000 ekin = 2.99100571713839 | erot = 3.10999728881187 | epot = -19.3835406651408 | etot = -13.2825376591905 -556000 ekin = 3.02839929469222 | erot = 3.10971957917835 | epot = -19.4206565333019 | etot = -13.2825376594313 -557000 ekin = 3.04921300214531 | erot = 3.11533545055502 | epot = -19.4470861123157 | etot = -13.2825376596154 -558000 ekin = 3.05150347330643 | erot = 3.12563190762761 | epot = -19.4596730406651 | etot = -13.282537659731 -559000 ekin = 3.03432873632176 | erot = 3.13944482423642 | epot = -19.4563112203321 | etot = -13.2825376597739 -560000 ekin = 2.99775269247934 | erot = 3.15574356338642 | epot = -19.4360339156122 | etot = -13.2825376597465 -561000 ekin = 2.942791717946 | erot = 3.17367577834175 | epot = -19.399005155943 | etot = -13.2825376596552 -562000 ekin = 2.87131567491456 | erot = 3.19257954674671 | epot = -19.3464328811715 | etot = -13.2825376595102 -563000 ekin = 2.78591370477175 | erot = 3.21196929020305 | epot = -19.280420654299 | etot = -13.2825376593242 -564000 ekin = 2.68973533676632 | erot = 3.2315030248807 | epot = -19.2037760207577 | etot = -13.2825376591107 -565000 ekin = 2.58631900803934 | erot = 3.25094003295475 | epot = -19.119796699877 | etot = -13.2825376588829 -566000 ekin = 2.47942134876985 | erot = 3.27009788588037 | epot = -19.0320568933032 | etot = -13.282537658653 -567000 ekin = 2.37285930824509 | erot = 3.28881390753205 | epot = -18.9442108742075 | etot = -13.2825376584304 -568000 ekin = 2.27037477203514 | erot = 3.30691420257913 | epot = -18.8598266328372 | etot = -13.2825376582229 -569000 ekin = 2.17552646993524 | erot = 3.32418852070849 | epot = -18.7822526486799 | etot = -13.2825376580362 -570000 ekin = 2.0916071735766 | erot = 3.34036686781736 | epot = -18.7145116992692 | etot = -13.2825376578753 -571000 ekin = 2.02157831416005 | erot = 3.35509336874294 | epot = -18.6592093406479 | etot = -13.2825376577449 -572000 ekin = 1.96800973250246 | erot = 3.36789498999432 | epot = -18.6184423801486 | etot = -13.2825376576519 -573000 ekin = 1.93301131086791 | erot = 3.37814685793653 | epot = -18.5936958264077 | etot = -13.2825376576033 -574000 ekin = 1.91814454491553 | erot = 3.38504063675326 | epot = -18.5857228392773 | etot = -13.2825376576086 -575000 ekin = 1.92430832573438 | erot = 3.38756624559585 | epot = -18.5944122290066 | etot = -13.2825376576764 -576000 ekin = 1.9516044746804 | erot = 3.38452119824724 | epot = -18.6186633307411 | etot = -13.2825376578134 -577000 ekin = 1.99920036892028 | erot = 3.37456184631277 | epot = -18.6562998732547 | etot = -13.2825376580217 -578000 ekin = 2.06522335780326 | erot = 3.3563097483278 | epot = -18.7040707644236 | etot = -13.2825376582925 -579000 ekin = 2.14673519282893 | erot = 3.32851940881583 | epot = -18.7577922602505 | etot = -13.2825376586057 -580000 ekin = 2.23983758245539 | erot = 3.29029959753275 | epot = -18.8126748389157 | etot = -13.2825376589276 -581000 ekin = 2.33993889925887 | erot = 3.2413588198074 | epot = -18.8638353782815 | etot = -13.2825376592153 -582000 ekin = 2.44216781901565 | erot = 3.18222403799831 | epot = -18.9069295164397 | etot = -13.2825376594258 -583000 ekin = 2.54186285338052 | erot = 3.1143690597616 | epot = -18.9387695726707 | etot = -13.2825376595286 -584000 ekin = 2.63514321917816 | erot = 3.04016994422167 | epot = -18.9578508227168 | etot = -13.2825376593169 -585000 ekin = 2.72038124549096 | erot = 2.96231486728252 | epot = -18.9652337720559 | etot = -13.2825376592824 -586000 ekin = 2.7952974207905 | erot = 2.88397447346059 | epot = -18.9618095534243 | etot = -13.2825376591732 -587000 ekin = 2.85803030912891 | erot = 2.80849541231913 | epot = -18.9490633804701 | etot = -13.2825376590221 -588000 ekin = 2.90761924156397 | erot = 2.73897208361712 | epot = -18.9291289840422 | etot = -13.2825376588611 -589000 ekin = 2.94382190769964 | erot = 2.67796026302752 | epot = -18.9043198294429 | etot = -13.2825376587158 -590000 ekin = 2.96693832518019 | erot = 2.6272442019698 | epot = -18.8767201857498 | etot = -13.2825376585998 -591000 ekin = 2.9776673784336 | erot = 2.58778349308244 | epot = -18.8479885300359 | etot = -13.2825376585198 -592000 ekin = 2.97699718658232 | erot = 2.55971358412153 | epot = -18.8192484291808 | etot = -13.2825376584769 -593000 ekin = 2.96611919165071 | erot = 2.54241252024637 | epot = -18.7910693703647 | etot = -13.2825376584677 -594000 ekin = 2.94635665290357 | erot = 2.53461934100801 | epot = -18.7635136523971 | etot = -13.2825376584855 -595000 ekin = 2.91908569710317 | erot = 2.53443482988756 | epot = -18.736058185673 | etot = -13.2825376586822 -596000 ekin = 2.88535047381584 | erot = 2.53857982682822 | epot = -18.706467959406 | etot = -13.2825376587619 -597000 ekin = 2.84590859895571 | erot = 2.54482361731877 | epot = -18.6732698750857 | etot = -13.2825376588112 -598000 ekin = 2.80153060629686 | erot = 2.55163242418938 | epot = -18.6357006893087 | etot = -13.2825376588225 -599000 ekin = 2.75300405718648 | erot = 2.55803363009657 | epot = -18.5935753460797 | etot = -13.2825376587966 -600000 ekin = 2.70110632480755 | erot = 2.56364667647513 | epot = -18.5472906600213 | etot = -13.2825376587386 -601000 ekin = 2.64657369870734 | erot = 2.56865533019019 | epot = -18.4977666875495 | etot = -13.282537658652 -602000 ekin = 2.59009198471546 | erot = 2.5737572619282 | epot = -18.4463869051824 | etot = -13.2825376585387 -603000 ekin = 2.532310533728 | erot = 2.58010020265793 | epot = -18.3949483947879 | etot = -13.282537658402 -604000 ekin = 2.47386381071126 | erot = 2.58919184015783 | epot = -18.3455933091172 | etot = -13.2825376582481 -605000 ekin = 2.41538802269351 | erot = 2.60277705144679 | epot = -18.3007027322262 | etot = -13.2825376580859 -606000 ekin = 2.35753010243637 | erot = 2.62269152368394 | epot = -18.2627592840459 | etot = -13.2825376579255 -607000 ekin = 2.30095094646976 | erot = 2.65066096470521 | epot = -18.2341495689621 | etot = -13.2825376577872 -608000 ekin = 2.24632550980833 | erot = 2.68812711798965 | epot = -18.2169902854651 | etot = -13.2825376576671 -609000 ekin = 2.19433984204655 | erot = 2.73619296832811 | epot = -18.2130704679535 | etot = -13.2825376575789 -610000 ekin = 2.1456873411568 | erot = 2.79546287797992 | epot = -18.2236878766662 | etot = -13.2825376575294 -611000 ekin = 2.10106577311586 | erot = 2.86594569746529 | epot = -18.2495491281048 | etot = -13.2825376575236 -612000 ekin = 2.0611756976334 | erot = 2.94698805374731 | epot = -18.2907014089446 | etot = -13.2825376575639 -613000 ekin = 2.02671979093704 | erot = 3.03724338411882 | epot = -18.3465008327059 | etot = -13.28253765765 -614000 ekin = 1.99840061160153 | erot = 3.13468327208674 | epot = -18.4156215414674 | etot = -13.2825376577792 -615000 ekin = 1.97691265350056 | erot = 3.2366575694735 | epot = -18.496107880919 | etot = -13.282537657945 -616000 ekin = 1.96292427457188 | erot = 3.34000833576675 | epot = -18.5854702684777 | etot = -13.2825376581391 -617000 ekin = 1.95704706954883 | erot = 3.44123904148788 | epot = -18.6808237693867 | etot = -13.28253765835 -618000 ekin = 1.959794260624 | erot = 3.53673433570158 | epot = -18.7790662548898 | etot = -13.2825376585642 -619000 ekin = 1.9715343673676 | erot = 3.62301686059804 | epot = -18.8770888867321 | etot = -13.2825376587665 -620000 ekin = 1.99244950084197 | erot = 3.69701656992999 | epot = -18.972003729714 | etot = -13.2825376589421 -621000 ekin = 2.02250680812395 | erot = 3.75631711882003 | epot = -19.0613615860228 | etot = -13.2825376590788 -622000 ekin = 2.06144629221926 | erot = 3.79933797526636 | epot = -19.1433219266566 | etot = -13.2825376591709 -623000 ekin = 2.10878075941396 | erot = 3.8254151393852 | epot = -19.2167335580189 | etot = -13.2825376592197 -624000 ekin = 2.16379839199852 | erot = 3.83475982185834 | epot = -19.2810958730921 | etot = -13.2825376592353 -625000 ekin = 2.22555932783782 | erot = 3.82830035124808 | epot = -19.3363973383196 | etot = -13.2825376592337 -626000 ekin = 2.29288544261924 | erot = 3.8074411034664 | epot = -19.3828642053187 | etot = -13.2825376592331 -627000 ekin = 2.36435394306741 | erot = 3.77379464740524 | epot = -19.4206862497203 | etot = -13.2825376592476 -628000 ekin = 2.4383143267512 | erot = 3.72895154256394 | epot = -19.4498035285972 | etot = -13.2825376592821 -629000 ekin = 2.51294897945051 | erot = 3.67434156157469 | epot = -19.4698282003552 | etot = -13.28253765933 -630000 ekin = 2.58638771765393 | erot = 3.61121141783299 | epot = -19.4801367948617 | etot = -13.2825376593748 -631000 ekin = 2.65686759984471 | erot = 3.54070434321331 | epot = -19.4801096088491 | etot = -13.2825376657911 -632000 ekin = 2.7229119026317 | erot = 3.46399577716167 | epot = -19.4694453501616 | etot = -13.2825376703683 -633000 ekin = 2.78348672610773 | erot = 3.38241264799394 | epot = -19.4484370443956 | etot = -13.2825376702939 -634000 ekin = 2.83810143013093 | erot = 3.29749507667659 | epot = -19.4181341769767 | etot = -13.2825376701692 -635000 ekin = 2.88683118401642 | erot = 3.21096793801023 | epot = -19.3803367920312 | etot = -13.2825376700046 -636000 ekin = 2.93026618629758 | erot = 3.12465298496329 | epot = -19.3374568410755 | etot = -13.2825376698146 -637000 ekin = 2.96941056884663 | erot = 3.04036924656817 | epot = -19.2923174850264 | etot = -13.2825376696116 -638000 ekin = 3.0055616969203 | erot = 2.95987410217464 | epot = -19.2479734684973 | etot = -13.2825376694023 -639000 ekin = 3.04019340863902 | erot = 2.88486846877173 | epot = -19.2075995465998 | etot = -13.282537669189 -640000 ekin = 3.07485121522857 | erot = 2.81704601028329 | epot = -19.1744348944859 | etot = -13.282537668974 -641000 ekin = 3.11105408027351 | erot = 2.75813097964004 | epot = -19.1517227286789 | etot = -13.2825376687654 -642000 ekin = 3.15019312326614 | erot = 2.70984405485486 | epot = -19.1425748467004 | etot = -13.2825376685794 -643000 ekin = 3.19342381263007 | erot = 2.6737639947772 | epot = -19.1497254758466 | etot = -13.2825376684393 -644000 ekin = 3.24155882074965 | erot = 2.65109893593392 | epot = -19.1751954250542 | etot = -13.2825376683706 -645000 ekin = 3.29497575522052 | erot = 2.64241916696972 | epot = -19.2199325905852 | etot = -13.282537668395 -646000 ekin = 3.35355393406662 | erot = 2.6474169032197 | epot = -19.2835085058124 | etot = -13.2825376685261 -647000 ekin = 3.41664956860753 | erot = 2.66474995394781 | epot = -19.3639371913219 | etot = -13.2825376687666 -648000 ekin = 3.48311410605676 | erot = 2.69200913896285 | epot = -19.4576609141254 | etot = -13.2825376691058 -649000 ekin = 3.55135925694157 | erot = 2.72583530733012 | epot = -19.5597322337903 | etot = -13.2825376695186 -650000 ekin = 3.61947301797256 | erot = 2.76220049491302 | epot = -19.66421118285 | etot = -13.2825376699645 -651000 ekin = 3.68538880274599 | erot = 2.7968481634757 | epot = -19.7647746366125 | etot = -13.2825376703908 -652000 ekin = 3.74709908730764 | erot = 2.82584894414338 | epot = -19.8554857021924 | etot = -13.2825376707414 -653000 ekin = 3.80288488877765 | erot = 2.84617490646512 | epot = -19.9315974662116 | etot = -13.2825376709688 -654000 ekin = 3.85151192348354 | erot = 2.8561531933117 | epot = -19.990202787845 | etot = -13.2825376710498 -655000 ekin = 3.89233743676938 | erot = 2.8556624036667 | epot = -20.0305375114281 | etot = -13.282537670992 -656000 ekin = 3.92529306043646 | erot = 2.84600373605527 | epot = -20.0538344673234 | etot = -13.2825376708317 -657000 ekin = 3.95074924371718 | erot = 2.82948452039907 | epot = -20.0627714347384 | etot = -13.2825376706221 -658000 ekin = 3.96930448524318 | erot = 2.8088410501164 | epot = -20.0606832057771 | etot = -13.2825376704176 -659000 ekin = 3.98156254977942 | erot = 2.78666073058104 | epot = -20.0507609506214 | etot = -13.282537670261 -660000 ekin = 3.98794995383628 | erot = 2.76493225942287 | epot = -20.0354198834365 | etot = -13.2825376701774 -661000 ekin = 3.98860416115366 | erot = 2.74479055428754 | epot = -20.015932385614 | etot = -13.2825376701728 -662000 ekin = 3.9833373621284 | erot = 2.72646306735558 | epot = -19.9923380997221 | etot = -13.2825376702381 -663000 ekin = 3.97166196864596 | erot = 2.70938404532092 | epot = -19.963583684321 | etot = -13.2825376703541 -664000 ekin = 3.95286211460538 | erot = 2.69242500163181 | epot = -19.9278247867315 | etot = -13.2825376704943 -665000 ekin = 3.92609780976883 | erot = 2.67418491171738 | epot = -19.8828203921176 | etot = -13.2825376706314 -666000 ekin = 3.89053574203668 | erot = 2.65328635574204 | epot = -19.8263597685171 | etot = -13.2825376707384 -667000 ekin = 3.8455051846995 | erot = 2.62863029044565 | epot = -19.7566731459372 | etot = -13.2825376707921 -668000 ekin = 3.79067534881142 | erot = 2.59957256262293 | epot = -19.6727855822096 | etot = -13.2825376707752 -669000 ekin = 3.7262419486302 | erot = 2.56600183381255 | epot = -19.5747814531206 | etot = -13.2825376706778 -670000 ekin = 3.65309967706656 | erot = 2.52832169427138 | epot = -19.4639590418358 | etot = -13.2825376704979 -671000 ekin = 3.57296811019995 | erot = 2.48736383191386 | epot = -19.342869612354 | etot = -13.2825376702402 -672000 ekin = 3.48843263532053 | erot = 2.44427271264383 | epot = -19.2152430178819 | etot = -13.2825376699176 -673000 ekin = 3.40286035230263 | erot = 2.40039617767022 | epot = -19.0857941995252 | etot = -13.2825376695524 -674000 ekin = 3.32015657281286 | erot = 2.35719425457146 | epot = -18.9598884965615 | etot = -13.2825376691772 -675000 ekin = 3.24436019808318 | erot = 2.3161584141183 | epot = -18.8430562810336 | etot = -13.2825376688321 -676000 ekin = 3.17913583606218 | erot = 2.27873161512007 | epot = -18.7404051197388 | etot = -13.2825376685566 -677000 ekin = 3.12743284478882 | erot = 2.24616920609518 | epot = -18.656139719201 | etot = -13.282537668317 -678000 ekin = 3.09116321203348 | erot = 2.21938913067101 | epot = -18.5930900109803 | etot = -13.2825376682758 -679000 ekin = 3.06996492216854 | erot = 2.19955802308236 | epot = -18.5520606135364 | etot = -13.2825376682855 -680000 ekin = 3.06282540104525 | erot = 2.1876705770889 | epot = -18.5330336464577 | etot = -13.2825376683235 -681000 ekin = 3.06856941757744 | erot = 2.18446333304044 | epot = -18.5355704189915 | etot = -13.2825376683736 -682000 ekin = 3.08614503867108 | erot = 2.19031007374487 | epot = -18.558992780881 | etot = -13.282537668465 -683000 ekin = 3.11401676516072 | erot = 2.20483123960418 | epot = -18.6013856734434 | etot = -13.2825376686785 -684000 ekin = 3.14994970495273 | erot = 2.22703766522701 | epot = -18.6595250391531 | etot = -13.2825376689733 -685000 ekin = 3.19138817293996 | erot = 2.25525783712498 | epot = -18.7291836793918 | etot = -13.2825376693269 -686000 ekin = 3.23553597362021 | erot = 2.28721755219637 | epot = -18.8052911955215 | etot = -13.2825376697049 -687000 ekin = 3.27958856788279 | erot = 2.32030038563253 | epot = -18.8824266235811 | etot = -13.2825376700658 -688000 ekin = 3.32103493723499 | erot = 2.35186996598162 | epot = -18.9554425735786 | etot = -13.282537670362 -689000 ekin = 3.35799818037969 | erot = 2.37963585731743 | epot = -19.0201717082469 | etot = -13.2825376705498 -690000 ekin = 3.38953188175939 | erot = 2.40199807237719 | epot = -19.0740676247395 | etot = -13.2825376706029 -691000 ekin = 3.4157714469421 | erot = 2.41828305274825 | epot = -19.1165921702108 | etot = -13.2825376705204 -692000 ekin = 3.43789562335505 | erot = 2.42879295704677 | epot = -19.1492262507342 | etot = -13.2825376703324 -693000 ekin = 3.45784949823239 | erot = 2.43469159317282 | epot = -19.1750787614881 | etot = -13.2825376700829 -694000 ekin = 3.47795427967203 | erot = 2.43774070867895 | epot = -19.1982326581721 | etot = -13.2825376698211 -695000 ekin = 3.50053093039304 | erot = 2.4399713160839 | epot = -19.2230399160612 | etot = -13.2825376695842 -696000 ekin = 3.52761050730482 | erot = 2.44340337549077 | epot = -19.2535515521878 | etot = -13.2825376693922 -697000 ekin = 3.56079077323185 | erot = 2.44986396553548 | epot = -19.2931924080162 | etot = -13.2825376692489 -698000 ekin = 3.60121696147781 | erot = 2.46089758485735 | epot = -19.344652215487 | etot = -13.2825376691518 -699000 ekin = 3.64961213279439 | erot = 2.47770733426397 | epot = -19.4098571361632 | etot = -13.2825376691048 -700000 ekin = 3.70626748084738 | erot = 2.50104915956855 | epot = -19.4898543095423 | etot = -13.2825376691264 -701000 ekin = 3.77093513696172 | erot = 2.53103621287676 | epot = -19.5845090190851 | etot = -13.2825376692466 -702000 ekin = 3.84262768940316 | erot = 2.56687733849248 | epot = -19.692042697393 | etot = -13.2825376694974 -703000 ekin = 3.91940034762487 | erot = 2.606641106386 | epot = -19.8085791239058 | etot = -13.2825376698949 -704000 ekin = 3.99823585473084 | erot = 2.64716826818578 | epot = -19.9279417933416 | etot = -13.282537670425 -705000 ekin = 4.07514464413388 | erot = 2.68423896185882 | epot = -20.0419212770262 | etot = -13.2825376710335 -706000 ekin = 4.14554203036204 | erot = 2.71304391275063 | epot = -20.1411236147438 | etot = -13.2825376716311 -707000 ekin = 4.20487575193296 | erot = 2.72892533730943 | epot = -20.2163387613507 | etot = -13.2825376721083 -708000 ekin = 4.24938283126103 | erot = 2.72825870748057 | epot = -20.2601792111048 | etot = -13.2825376723632 -709000 ekin = 4.27678612884219 | erot = 2.70926619646602 | epot = -20.2685899976397 | etot = -13.2825376723315 -710000 ekin = 4.28673081640694 | erot = 2.67252621891708 | epot = -20.2417947073323 | etot = -13.2825376720083 -711000 ekin = 4.28082322621957 | erot = 2.62101051796723 | epot = -20.1843714156378 | etot = -13.282537671451 -712000 ekin = 4.26225868778 | erot = 2.55962600084258 | epot = -20.1044223593835 | etot = -13.2825376707609 -713000 ekin = 4.23515498223018 | erot = 2.4944028055444 | epot = -20.0120954578277 | etot = -13.2825376700531 -714000 ekin = 4.20378550521692 | erot = 2.43156567584085 | epot = -19.917888850485 | etot = -13.2825376694272 -715000 ekin = 4.17190188733734 | erot = 2.37671476691363 | epot = -19.8311543232015 | etot = -13.2825376689505 -716000 ekin = 4.14226649349206 | erot = 2.3342523697806 | epot = -19.7590565319274 | etot = -13.2825376686548 -717000 ekin = 4.11642945244376 | erot = 2.30708700175745 | epot = -19.7060541227433 | etot = -13.2825376685421 -718000 ekin = 4.09471959165695 | erot = 2.29657561670706 | epot = -19.6738328769572 | etot = -13.2825376685932 -719000 ekin = 4.07639008592127 | erot = 2.30263774999632 | epot = -19.6615655046944 | etot = -13.2825376687768 -720000 ekin = 4.05985922916209 | erot = 2.32397934765001 | epot = -19.6663762458682 | etot = -13.2825376690561 -721000 ekin = 4.04299880693399 | erot = 2.35837721353457 | epot = -19.6839136898589 | etot = -13.2825376693903 -722000 ekin = 4.02343688315899 | erot = 2.40299878610026 | epot = -19.7089733390021 | etot = -13.2825376697429 -723000 ekin = 3.99884065343804 | erot = 2.45471133767568 | epot = -19.7360896611936 | etot = -13.2825376700799 -724000 ekin = 3.96717167902019 | erot = 2.51036796126357 | epot = -19.7600773106559 | etot = -13.2825376703722 -725000 ekin = 3.92690441967021 | erot = 2.56705586836307 | epot = -19.776497958628 | etot = -13.2825376705947 -726000 ekin = 3.877296379763 | erot = 2.62227216901836 | epot = -19.7821062194432 | etot = -13.2825376706619 -727000 ekin = 3.81909687723751 | erot = 2.67389404657874 | epot = -19.7755285945101 | etot = -13.2825376706939 -728000 ekin = 3.75316507804808 | erot = 2.7209643611948 | epot = -19.7566671098371 | etot = -13.2825376705942 -729000 ekin = 3.68121241124831 | erot = 2.76353487071471 | epot = -19.7272849523308 | etot = -13.2825376703678 -730000 ekin = 3.6059508327336 | erot = 2.8025565644494 | epot = -19.6910450672226 | etot = -13.2825376700396 -731000 ekin = 3.5308358576752 | erot = 2.83972569859104 | epot = -19.653099225923 | etot = -13.2825376696568 -732000 ekin = 3.45966885133483 | erot = 2.87715368835431 | epot = -19.6193602089727 | etot = -13.2825376692835 -733000 ekin = 3.39612153666129 | erot = 2.91688280104535 | epot = -19.5955420066942 | etot = -13.2825376689875 -734000 ekin = 3.34327992468391 | erot = 2.96033658921789 | epot = -19.586154182727 | etot = -13.2825376688252 -735000 ekin = 3.30330112894221 | erot = 3.00783596110657 | epot = -19.5936747588771 | etot = -13.2825376688283 -736000 ekin = 3.27724072963153 | erot = 3.05831043253391 | epot = -19.6180888311626 | etot = -13.2825376689972 -737000 ekin = 3.26506253896072 | erot = 3.10929392283094 | epot = -19.6568941310923 | etot = -13.2825376693006 -738000 ekin = 3.26580566526431 | erot = 3.15723003734709 | epot = -19.7055733722939 | etot = -13.2825376696825 -739000 ekin = 3.27786090585715 | erot = 3.19803615726732 | epot = -19.7584347331987 | etot = -13.2825376700742 -740000 ekin = 3.29929519802999 | erot = 3.22780296867075 | epot = -19.8096358371115 | etot = -13.2825376704108 -741000 ekin = 3.32815980265726 | erot = 3.24345768500962 | epot = -19.8541551583124 | etot = -13.2825376706455 -742000 ekin = 3.36272243968287 | erot = 3.2432241961257 | epot = -19.8884843065695 | etot = -13.282537670761 -743000 ekin = 3.40154954264288 | erot = 3.2265963503818 | epot = -19.910683563855 | etot = -13.2825376708303 -744000 ekin = 3.4435569016163 | erot = 3.19405338784973 | epot = -19.9201479602027 | etot = -13.2825376707366 -745000 ekin = 3.48810285816643 | erot = 3.1476343280298 | epot = -19.9182748567922 | etot = -13.2825376705959 -746000 ekin = 3.53467364483636 | erot = 3.09004249683477 | epot = -19.9072538121133 | etot = -13.2825376704422 -747000 ekin = 3.58273489719278 | erot = 3.02422947594395 | epot = -19.8895020434337 | etot = -13.282537670297 -748000 ekin = 3.63163431992382 | erot = 2.95313859311453 | epot = -19.8673105832095 | etot = -13.2825376701711 -749000 ekin = 3.68055410772631 | erot = 2.87956450536645 | epot = -19.8426562831615 | etot = -13.2825376700687 -750000 ekin = 3.72850264878195 | erot = 2.80607481970415 | epot = -19.8171151384803 | etot = -13.2825376699942 -751000 ekin = 3.77431992735756 | erot = 2.73492674317463 | epot = -19.7917843404902 | etot = -13.282537669958 -752000 ekin = 3.81667135032455 | erot = 2.66792933662917 | epot = -19.7671383569314 | etot = -13.2825376699777 -753000 ekin = 3.85401538818405 | erot = 2.60623951614805 | epot = -19.7427925744073 | etot = -13.2825376700752 -754000 ekin = 3.88455267934827 | erot = 2.55013273026535 | epot = -19.7172230798809 | etot = -13.2825376702673 -755000 ekin = 3.90620090059213 | erot = 2.49884999016387 | epot = -19.6875885613037 | etot = -13.2825376705477 -756000 ekin = 3.91710462659181 | erot = 2.45069600001941 | epot = -19.6503382971558 | etot = -13.2825376705446 -757000 ekin = 3.9172579202584 | erot = 2.40369183428787 | epot = -19.6034874252701 | etot = -13.2825376707238 -758000 ekin = 3.9062285486505 | erot = 2.35617894285691 | epot = -19.5449451622691 | etot = -13.2825376707616 -759000 ekin = 3.88450313649663 | erot = 2.30751185300537 | epot = -19.4745526600901 | etot = -13.2825376705881 -760000 ekin = 3.85399004377755 | erot = 2.25863561783757 | epot = -19.395163331816 | etot = -13.2825376702009 -761000 ekin = 3.81799666982571 | erot = 2.21208980046811 | epot = -19.3126241399681 | etot = -13.2825376696743 -762000 ekin = 3.78022631319321 | erot = 2.17128933430875 | epot = -19.2340533167241 | etot = -13.2825376692221 -763000 ekin = 3.7366180252016 | erot = 2.13809664147806 | epot = -19.1572523356113 | etot = -13.2825376689316 -764000 ekin = 3.68660767297656 | erot = 2.11458113784664 | epot = -19.0837264795493 | etot = -13.2825376687261 -765000 ekin = 3.63152213040596 | erot = 2.10258243850173 | epot = -19.0166422375194 | etot = -13.2825376686117 -766000 ekin = 3.57217194872735 | erot = 2.1031936475929 | epot = -18.9579032648434 | etot = -13.2825376685232 -767000 ekin = 3.50915043230658 | erot = 2.11696161070578 | epot = -18.9086497115305 | etot = -13.2825376685181 -768000 ekin = 3.44287730030143 | erot = 2.14384189418983 | epot = -18.8692568629862 | etot = -13.282537668495 -769000 ekin = 3.37407811668166 | erot = 2.18352203430368 | epot = -18.8401378194328 | etot = -13.2825376684474 -770000 ekin = 3.30402691102912 | erot = 2.23544699328996 | epot = -18.8220115727027 | etot = -13.2825376683836 -771000 ekin = 3.23454927904009 | erot = 2.29870117920768 | epot = -18.8157881266211 | etot = -13.2825376683733 -772000 ekin = 3.16778213081539 | erot = 2.37165603567085 | epot = -18.8219758348638 | etot = -13.2825376683776 -773000 ekin = 3.10585178825157 | erot = 2.45189360020701 | epot = -18.8402830568753 | etot = -13.2825376684167 -774000 ekin = 3.05132445362867 | erot = 2.53742495789882 | epot = -18.871287079784 | etot = -13.2825376682565 -775000 ekin = 3.00630147843413 | erot = 2.62609752201218 | epot = -18.9149366688656 | etot = -13.2825376684193 -776000 ekin = 2.97144443264239 | erot = 2.71477730985895 | epot = -18.9687594110712 | etot = -13.2825376685698 -777000 ekin = 2.94698171102012 | erot = 2.80100976983049 | epot = -19.0305291495212 | etot = -13.2825376686706 -778000 ekin = 2.93288277550831 | erot = 2.88339388730573 | epot = -19.098814331498 | etot = -13.282537668684 -779000 ekin = 2.92910730289328 | erot = 2.96183002798064 | epot = -19.1734749994681 | etot = -13.2825376685942 -780000 ekin = 2.93579388568063 | erot = 3.03750518021602 | epot = -19.2558367343219 | etot = -13.2825376684252 -781000 ekin = 2.95325630950229 | erot = 3.11251463627355 | epot = -19.3483086140145 | etot = -13.2825376682386 -782000 ekin = 2.98176618547997 | erot = 3.18917136100467 | epot = -19.453475214596 | etot = -13.2825376681113 -783000 ekin = 3.02122758220232 | erot = 3.26921648813326 | epot = -19.5729817384412 | etot = -13.2825376681056 -784000 ekin = 3.07089714795214 | erot = 3.35319620066784 | epot = -19.706631016868 | etot = -13.2825376682481 -785000 ekin = 3.12925653034025 | erot = 3.44018487512673 | epot = -19.8519790739953 | etot = -13.2825376685283 -786000 ekin = 3.19405797125446 | erot = 3.52788200321986 | epot = -20.0044776433832 | etot = -13.2825376689089 -787000 ekin = 3.26249776188221 | erot = 3.61297785906456 | epot = -20.1580132902899 | etot = -13.2825376693431 -788000 ekin = 3.33144967160237 | erot = 3.69161943951618 | epot = -20.3056067809067 | etot = -13.2825376697881 -789000 ekin = 3.3977055617303 | erot = 3.7598253120626 | epot = -20.4400685440047 | etot = -13.2825376702118 -790000 ekin = 3.45820395550971 | erot = 3.81377941396282 | epot = -20.5545210400606 | etot = -13.282537670588 -791000 ekin = 3.51015148124692 | erot = 3.85000835168307 | epot = -20.6426975044819 | etot = -13.2825376715519 -792000 ekin = 3.54776564943404 | erot = 3.86447708281896 | epot = -20.6947804042004 | etot = -13.2825376719474 -793000 ekin = 3.56673386234454 | erot = 3.85375177260368 | epot = -20.7030233071259 | etot = -13.2825376721777 -794000 ekin = 3.56535433495117 | erot = 3.8159958528987 | epot = -20.6638878600464 | etot = -13.2825376721966 -795000 ekin = 3.5433642377304 | erot = 3.75111846557778 | epot = -20.5770203752941 | etot = -13.2825376719859 -796000 ekin = 3.50191265631727 | erot = 3.66102926484438 | epot = -20.4454795927271 | etot = -13.2825376715655 -797000 ekin = 3.44331621140757 | erot = 3.54957138818473 | epot = -20.2754252705807 | etot = -13.2825376709884 -798000 ekin = 3.37066053438385 | erot = 3.42213246910246 | epot = -20.0753306738125 | etot = -13.2825376703262 -799000 ekin = 3.28735656783115 | erot = 3.28504268659738 | epot = -19.854936924078 | etot = -13.2825376696495 -800000 ekin = 3.19676141014365 | erot = 3.14491706729739 | epot = -19.6242161464546 | etot = -13.2825376690136 -801000 ekin = 3.1019338834663 | erot = 3.00807795311394 | epot = -19.3925495050332 | etot = -13.282537668453 -802000 ekin = 3.00553736754957 | erot = 2.88012979878413 | epot = -19.1682048343172 | etot = -13.2825376679835 -803000 ekin = 2.90985246624439 | erot = 2.76569078056438 | epot = -18.9580809144186 | etot = -13.2825376676099 -804000 ekin = 2.81683808713677 | erot = 2.66824302179126 | epot = -18.7676187762615 | etot = -13.2825376673335 -805000 ekin = 2.72818412044707 | erot = 2.59005510941686 | epot = -18.6007768970192 | etot = -13.2825376671552 -806000 ekin = 2.64532439255026 | erot = 2.53214862203847 | epot = -18.4600106816661 | etot = -13.2825376670774 -807000 ekin = 2.56941186666319 | erot = 2.49430692057274 | epot = -18.3462564543342 | etot = -13.2825376670982 -808000 ekin = 2.50128142888609 | erot = 2.47514940737337 | epot = -18.2589685034691 | etot = -13.2825376672096 -809000 ekin = 2.44144236795178 | erot = 2.47230913362798 | epot = -18.1962891689485 | etot = -13.2825376673687 -810000 ekin = 2.3901270834084 | erot = 2.48271406544476 | epot = -18.1553788164593 | etot = -13.2825376676061 -811000 ekin = 2.34728664736262 | erot = 2.50269653308012 | epot = -18.1325208483028 | etot = -13.2825376678601 -812000 ekin = 2.31275384401542 | erot = 2.52846132067668 | epot = -18.1237528327934 | etot = -13.2825376681013 -813000 ekin = 2.28637472346317 | erot = 2.55641958964496 | epot = -18.1253319814163 | etot = -13.2825376683081 -814000 ekin = 2.26809634302172 | erot = 2.58342175985524 | epot = -18.1340557713469 | etot = -13.2825376684699 -815000 ekin = 2.25799398108596 | erot = 2.60689379309751 | epot = -18.14742544277 | etot = -13.2825376685865 -816000 ekin = 2.25623692236831 | erot = 2.62489117861678 | epot = -18.1636657696475 | etot = -13.2825376686624 -817000 ekin = 2.26301448165039 | erot = 2.63611346240567 | epot = -18.1816656127584 | etot = -13.2825376687023 -818000 ekin = 2.27845464057391 | erot = 2.63992517487904 | epot = -18.2009174841599 | etot = -13.282537668707 -819000 ekin = 2.30255118255274 | erot = 2.63638076673618 | epot = -18.2214696180233 | etot = -13.2825376687344 -820000 ekin = 2.33498671690695 | erot = 2.62599567772565 | epot = -18.2435200633228 | etot = -13.2825376686902 -821000 ekin = 2.37528893738016 | erot = 2.61008048018772 | epot = -18.2679070861769 | etot = -13.282537668609 -822000 ekin = 2.42285081016729 | erot = 2.59073415646192 | epot = -18.2961226351262 | etot = -13.282537668497 -823000 ekin = 2.47691845696036 | erot = 2.57068820917611 | epot = -18.3301443345042 | etot = -13.2825376683677 -824000 ekin = 2.53658809763989 | erot = 2.55309938374537 | epot = -18.3722251496239 | etot = -13.2825376682387 -825000 ekin = 2.60079770131159 | erot = 2.54128433493742 | epot = -18.4246197043761 | etot = -13.2825376681271 -826000 ekin = 2.66832973198145 | erot = 2.53844971720025 | epot = -18.4893171172274 | etot = -13.2825376680457 -827000 ekin = 2.73783541426217 | erot = 2.54745860095133 | epot = -18.5678316832164 | etot = -13.2825376680029 -828000 ekin = 2.80787353741911 | erot = 2.57063837231064 | epot = -18.6610495777373 | etot = -13.2825376680075 -829000 ekin = 2.87694004141752 | erot = 2.60959914998359 | epot = -18.7690768594751 | etot = -13.282537668074 -830000 ekin = 2.94346318720061 | erot = 2.66502277157491 | epot = -18.8910236269993 | etot = -13.2825376682238 -831000 ekin = 3.00576095292576 | erot = 2.73641402737172 | epot = -19.024712648777 | etot = -13.2825376684795 -832000 ekin = 3.06199003539877 | erot = 2.82186650180169 | epot = -19.1663942060527 | etot = -13.2825376688522 -833000 ekin = 3.110148995619 | erot = 2.91795032491558 | epot = -19.3106369898627 | etot = -13.2825376693281 -834000 ekin = 3.1482044935896 | erot = 3.01984474732963 | epot = -19.4505869107779 | etot = -13.2825376698586 -835000 ekin = 3.17437957900523 | erot = 3.12179257978299 | epot = -19.5787098291524 | etot = -13.2825376703642 -836000 ekin = 3.18757195243324 | erot = 3.21784689829009 | epot = -19.6879565214765 | etot = -13.2825376707532 -837000 ekin = 3.18777327474487 | erot = 3.30274497123895 | epot = -19.7730559169407 | etot = -13.2825376709568 -838000 ekin = 3.17628521735482 | erot = 3.37264530226156 | epot = -19.8314681905769 | etot = -13.2825376709605 -839000 ekin = 3.15554655753644 | erot = 3.42547713956057 | epot = -19.8635613679131 | etot = -13.2825376708161 -840000 ekin = 3.12853906990003 | erot = 3.46080086775206 | epot = -19.8718776082709 | etot = -13.2825376706188 -841000 ekin = 3.09797460324615 | erot = 3.47929817821818 | epot = -19.8598104519234 | etot = -13.2825376704591 -842000 ekin = 3.06563312580165 | erot = 3.48217550738637 | epot = -19.8303463035648 | etot = -13.2825376703768 -843000 ekin = 3.03218078490834 | erot = 3.47078119393998 | epot = -19.7854996491911 | etot = -13.2825376703427 -844000 ekin = 2.99754824930944 | erot = 3.44659665122456 | epot = -19.7266825708132 | etot = -13.2825376702792 -845000 ekin = 2.96164676060981 | erot = 3.41154768665394 | epot = -19.6557321173685 | etot = -13.2825376701047 -846000 ekin = 2.92503739739786 | erot = 3.36840998775599 | epot = -19.5759850549297 | etot = -13.2825376697759 -847000 ekin = 2.88924342096714 | erot = 3.32104931095848 | epot = -19.4928304012251 | etot = -13.2825376692995 -848000 ekin = 2.8566499721658 | erot = 3.27432583403358 | epot = -19.4135134749444 | etot = -13.2825376687451 -849000 ekin = 2.83005143133688 | erot = 3.23330176451346 | epot = -19.345890864224 | etot = -13.2825376683736 -850000 ekin = 2.8120559738006 | erot = 3.20226229426142 | epot = -19.2968559356534 | etot = -13.2825376675913 -851000 ekin = 2.80444558745355 | erot = 3.18500981062576 | epot = -19.2719930659006 | etot = -13.2825376678213 -852000 ekin = 2.80546277462239 | erot = 3.18034603826089 | epot = -19.2683464810845 | etot = -13.2825376682013 -853000 ekin = 2.812441214848 | erot = 3.18510929964103 | epot = -19.280088183191 | etot = -13.282537668702 -854000 ekin = 2.82227167902831 | erot = 3.19468161890284 | epot = -19.2994909671701 | etot = -13.282537669239 -855000 ekin = 2.83221172622116 | erot = 3.20377851191435 | epot = -19.3185279077701 | etot = -13.2825376696346 -856000 ekin = 2.840300530071 | erot = 3.20718605729409 | epot = -19.3300242573945 | etot = -13.2825376700294 -857000 ekin = 2.84404786962661 | erot = 3.20080956079347 | epot = -19.3273951006411 | etot = -13.282537670221 -858000 ekin = 2.84179014641021 | erot = 3.18249842090011 | epot = -19.3068262375301 | etot = -13.2825376702198 -859000 ekin = 2.83276149965023 | erot = 3.15199731414756 | epot = -19.2672964838693 | etot = -13.2825376700715 -860000 ekin = 2.81700723540486 | erot = 3.11046780830085 | epot = -19.2100127135333 | etot = -13.2825376698276 -861000 ekin = 2.79529073709182 | erot = 3.05989039483855 | epot = -19.1377188014554 | etot = -13.282537669525 -862000 ekin = 2.76903178122151 | erot = 3.00259641980569 | epot = -19.0541658702098 | etot = -13.2825376691826 -863000 ekin = 2.74026019036715 | erot = 2.94102587737081 | epot = -18.963823736545 | etot = -13.2825376688071 -864000 ekin = 2.71154390224074 | erot = 2.87766995664925 | epot = -18.8717515272941 | etot = -13.2825376684041 -865000 ekin = 2.68585679375552 | erot = 2.81509451397853 | epot = -18.7834889757203 | etot = -13.2825376679863 -866000 ekin = 2.66591731933855 | erot = 2.75755671058339 | epot = -18.7060116974738 | etot = -13.2825376675519 -867000 ekin = 2.65369684329544 | erot = 2.7083623798959 | epot = -18.6445968906238 | etot = -13.2825376674325 -868000 ekin = 2.65132555301973 | erot = 2.66699243377824 | epot = -18.6008556541371 | etot = -13.2825376673391 -869000 ekin = 2.66041858384405 | erot = 2.63308802762824 | epot = -18.5760442787927 | etot = -13.2825376673204 -870000 ekin = 2.68169704364212 | erot = 2.60613905014957 | epot = -18.5703737612166 | etot = -13.2825376674249 -871000 ekin = 2.714675381147 | erot = 2.58511614863126 | epot = -18.5823291974597 | etot = -13.2825376676815 -872000 ekin = 2.75720487538646 | erot = 2.56766485203678 | epot = -18.6074073957568 | etot = -13.2825376683336 -873000 ekin = 2.803086198203 | erot = 2.54585820174232 | epot = -18.6314820689118 | etot = -13.2825376689665 -874000 ekin = 2.84699852608312 | erot = 2.51460161594881 | epot = -18.6441378114779 | etot = -13.282537669446 -875000 ekin = 2.88482415058241 | erot = 2.47158418781059 | epot = -18.6389460079955 | etot = -13.2825376696025 -876000 ekin = 2.91408523336093 | erot = 2.41771772911331 | epot = -18.6143406317811 | etot = -13.2825376693068 -877000 ekin = 2.93423099085002 | erot = 2.35825815691149 | epot = -18.5750268164393 | etot = -13.2825376686778 -878000 ekin = 2.9475340562781 | erot = 2.30086645375619 | epot = -18.5309381778309 | etot = -13.2825376677966 -879000 ekin = 2.95817730736049 | erot = 2.25490663308305 | epot = -18.4956216073008 | etot = -13.2825376668573 -880000 ekin = 2.97089825195544 | erot = 2.22983196329486 | epot = -18.4832678815106 | etot = -13.2825376662603 -881000 ekin = 2.98893595228507 | erot = 2.2333347502509 | epot = -18.504808368297 | etot = -13.282537665761 -882000 ekin = 3.01519221963423 | erot = 2.27015029167503 | epot = -18.567880176909 | etot = -13.2825376655997 -883000 ekin = 3.050977470883 | erot = 2.3416684229247 | epot = -18.6751835596182 | etot = -13.2825376658105 -884000 ekin = 3.0943568254625 | erot = 2.4464864171533 | epot = -18.8233809089841 | etot = -13.2825376663683 -885000 ekin = 3.14183207195904 | erot = 2.57965576029431 | epot = -19.0040254994221 | etot = -13.2825376671687 -886000 ekin = 3.18914822789967 | erot = 2.73331108133882 | epot = -19.2049969773566 | etot = -13.2825376681181 -887000 ekin = 3.23157512360419 | erot = 2.89766014760895 | epot = -19.4117729403353 | etot = -13.2825376691222 -888000 ekin = 3.26456551809744 | erot = 3.061776633054 | epot = -19.6088798212464 | etot = -13.282537670095 -889000 ekin = 3.28428902019584 | erot = 3.21442460415165 | epot = -19.7812512953062 | etot = -13.2825376709587 -890000 ekin = 3.2880122327761 | erot = 3.34493087267995 | epot = -19.9154807770949 | etot = -13.2825376716389 -891000 ekin = 3.27434561774921 | erot = 3.44412613410496 | epot = -20.0010094239182 | etot = -13.282537672064 -892000 ekin = 3.24338163760107 | erot = 3.50530517060629 | epot = -20.0312244803861 | etot = -13.2825376721787 -893000 ekin = 3.19671556304815 | erot = 3.52503469849065 | epot = -20.0042879335016 | etot = -13.2825376719628 -894000 ekin = 3.13731299174224 | erot = 3.50356986371644 | epot = -19.9234205269042 | etot = -13.2825376714456 -895000 ekin = 3.06920917356845 | erot = 3.44471943345056 | epot = -19.7964662777175 | etot = -13.2825376706985 -896000 ekin = 2.99708420339467 | erot = 3.35519757225323 | epot = -19.6348194454631 | etot = -13.2825376698152 -897000 ekin = 2.92580051783905 | erot = 3.24367712658266 | epot = -19.4520153133086 | etot = -13.2825376688869 -898000 ekin = 2.85975229197938 | erot = 3.12035510150211 | epot = -19.2626450613858 | etot = -13.2825376679043 -899000 ekin = 2.80277954780206 | erot = 2.99561467370083 | epot = -19.080931888693 | etot = -13.2825376671901 -900000 ekin = 2.75771035422124 | erot = 2.87733650110699 | epot = -18.9175845220101 | etot = -13.2825376666818 -901000 ekin = 2.72580329203606 | erot = 2.77189091312759 | epot = -18.7802318714396 | etot = -13.282537666276 -902000 ekin = 2.70770279133312 | erot = 2.68464861430094 | epot = -18.6748890716256 | etot = -13.2825376659915 -903000 ekin = 2.70344494055935 | erot = 2.61971222757332 | epot = -18.6056948339768 | etot = -13.2825376658441 -904000 ekin = 2.71249184745662 | erot = 2.57966599078369 | epot = -18.5746955043654 | etot = -13.282537666125 -905000 ekin = 2.73259472267538 | erot = 2.56420422221153 | epot = -18.5793366115826 | etot = -13.2825376666957 -906000 ekin = 2.7587438798969 | erot = 2.57016719355457 | epot = -18.6114487407342 | etot = -13.2825376672827 -907000 ekin = 2.78650456171834 | erot = 2.59279042980544 | epot = -18.6618326594225 | etot = -13.2825376678987 -908000 ekin = 2.81181709571449 | erot = 2.62665482043733 | epot = -18.7210095845851 | etot = -13.2825376684333 -909000 ekin = 2.83143463248052 | erot = 2.66677850527315 | epot = -18.7807508065458 | etot = -13.2825376687921 -910000 ekin = 2.84337824047693 | erot = 2.70952965399883 | epot = -18.8354455634031 | etot = -13.2825376689274 -911000 ekin = 2.8471370687053 | erot = 2.75311048607181 | epot = -18.8827852236336 | etot = -13.2825376688565 -912000 ekin = 2.84353295186199 | erot = 2.79744224266107 | epot = -18.9235128631783 | etot = -13.2825376686553 -913000 ekin = 2.83428813317848 | erot = 2.8435092291879 | epot = -18.960335030794 | etot = -13.2825376684276 -914000 ekin = 2.82145638452692 | erot = 2.89244132990744 | epot = -18.9964353826995 | etot = -13.2825376682651 -915000 ekin = 2.80692071975216 | erot = 2.94469332949274 | epot = -19.0341517174625 | etot = -13.2825376682176 -916000 ekin = 2.79210576380763 | erot = 2.99958827392467 | epot = -19.074231706018 | etot = -13.2825376682857 -917000 ekin = 2.77794567113789 | erot = 3.05530679534728 | epot = -19.1157901349159 | etot = -13.2825376684308 -918000 ekin = 2.76505338704383 | erot = 3.10923861037682 | epot = -19.1568296660157 | etot = -13.282537668595 -919000 ekin = 2.75398705152147 | erot = 3.15852296699156 | epot = -19.195047687236 | etot = -13.282537668723 -920000 ekin = 2.7454994548339 | erot = 3.2005917707977 | epot = -19.2286288944091 | etot = -13.2825376687775 -921000 ekin = 2.74117522185331 | erot = 3.23390288539821 | epot = -19.257615776068 | etot = -13.2825376688165 -922000 ekin = 2.74423942349208 | erot = 3.25833644681568 | epot = -19.2851135392148 | etot = -13.282537668907 -923000 ekin = 2.75519506145705 | erot = 3.27241102947033 | epot = -19.3101437598841 | etot = -13.2825376689567 -924000 ekin = 2.7739447954554 | erot = 3.27524658464716 | epot = -19.3317290491124 | etot = -13.2825376690098 -925000 ekin = 2.79984975930912 | erot = 3.26648541912473 | epot = -19.3488728475327 | etot = -13.2825376690988 -926000 ekin = 2.83154188646909 | erot = 3.24600163470344 | epot = -19.3600811904065 | etot = -13.282537669234 -927000 ekin = 2.86690921927924 | erot = 3.21375665515251 | epot = -19.3632035438309 | etot = -13.2825376693992 -928000 ekin = 2.90327996746315 | erot = 3.16982824225361 | epot = -19.355645879275 | etot = -13.2825376695582 -929000 ekin = 2.93775285768297 | erot = 3.11459709937969 | epot = -19.3348876267298 | etot = -13.2825376696671 -930000 ekin = 2.96759841379162 | erot = 3.04898886674992 | epot = -19.2991249502297 | etot = -13.2825376696882 -931000 ekin = 2.99062544127955 | erot = 2.97467062306529 | epot = -19.2478337339459 | etot = -13.2825376696011 -932000 ekin = 3.00543704340314 | erot = 2.89412065066031 | epot = -19.1820953634703 | etot = -13.2825376694069 -933000 ekin = 3.01154336745331 | erot = 2.81054368701041 | epot = -19.1046247235875 | etot = -13.2825376691237 -934000 ekin = 3.00929679360139 | erot = 2.72759799680406 | epot = -19.0194324597362 | etot = -13.2825376693307 -935000 ekin = 2.99746134196625 | erot = 2.6462580748832 | epot = -18.9262570860315 | etot = -13.282537669182 -936000 ekin = 2.97526415103787 | erot = 2.56749092791625 | epot = -18.8252927479484 | etot = -13.2825376689942 -937000 ekin = 2.94352512534142 | erot = 2.49335517907333 | epot = -18.7194179731942 | etot = -13.2825376687795 -938000 ekin = 2.90367826460953 | erot = 2.42575018416443 | epot = -18.6119661173247 | etot = -13.2825376685508 -939000 ekin = 2.85762227332947 | erot = 2.36633148508484 | epot = -18.5064914267463 | etot = -13.282537668332 -940000 ekin = 2.80750328433938 | erot = 2.31642989471101 | epot = -18.4064708471881 | etot = -13.2825376681377 -941000 ekin = 2.75550936315199 | erot = 2.27698712574217 | epot = -18.3150341568762 | etot = -13.282537667982 -942000 ekin = 2.70367879381712 | erot = 2.24846537191208 | epot = -18.2346818336126 | etot = -13.2825376678834 -943000 ekin = 2.65376367606827 | erot = 2.23082283410801 | epot = -18.1671241780099 | etot = -13.2825376678336 -944000 ekin = 2.60720594190486 | erot = 2.22360475791271 | epot = -18.1133483676354 | etot = -13.2825376678178 -945000 ekin = 2.56519856453037 | erot = 2.22610144827738 | epot = -18.0738376806168 | etot = -13.282537667809 -946000 ekin = 2.52882759913744 | erot = 2.23758213189974 | epot = -18.0489473988157 | etot = -13.2825376677785 -947000 ekin = 2.49923315497847 | erot = 2.25754573394355 | epot = -18.0393165566274 | etot = -13.2825376677054 -948000 ekin = 2.47771007490038 | erot = 2.28590689257171 | epot = -18.04615463506 | etot = -13.2825376675879 -949000 ekin = 2.46568539864087 | erot = 2.32304174073513 | epot = -18.0712648068282 | etot = -13.2825376674522 -950000 ekin = 2.46454516557792 | erot = 2.36959060782326 | epot = -18.1166734407329 | etot = -13.2825376673317 -951000 ekin = 2.47533994997988 | erot = 2.42623129981836 | epot = -18.1841089170701 | etot = -13.2825376672718 -952000 ekin = 2.49848236352815 | erot = 2.49338196896345 | epot = -18.2744019998023 | etot = -13.2825376673107 -953000 ekin = 2.53348398193916 | erot = 2.57089243328743 | epot = -18.3869140826966 | etot = -13.28253766747 -954000 ekin = 2.57882587532342 | erot = 2.65786416805845 | epot = -18.519227711132 | etot = -13.2825376677502 -955000 ekin = 2.63199527599012 | erot = 2.75261052013185 | epot = -18.6671434642546 | etot = -13.2825376681326 -956000 ekin = 2.68967924815822 | erot = 2.85274255005244 | epot = -18.8249594667971 | etot = -13.2825376685864 -957000 ekin = 2.74806771946834 | erot = 2.95533472441412 | epot = -18.9859401129583 | etot = -13.2825376690759 -958000 ekin = 2.8031986668001 | erot = 3.05711581061144 | epot = -19.1428521469807 | etot = -13.2825376695691 -959000 ekin = 2.85127801275525 | erot = 3.15464148732907 | epot = -19.2884571701257 | etot = -13.2825376700414 -960000 ekin = 2.88892608818491 | erot = 3.24442918289745 | epot = -19.4158929415587 | etot = -13.2825376704763 -961000 ekin = 2.91333465071856 | erot = 3.32306194469326 | epot = -19.5189342662741 | etot = -13.2825376708623 -962000 ekin = 2.922351418879 | erot = 3.3872858534114 | epot = -19.5921749434782 | etot = -13.2825376711878 -963000 ekin = 2.91452965717995 | erot = 3.43412743872974 | epot = -19.6311947673485 | etot = -13.2825376714389 -964000 ekin = 2.88918087862635 | erot = 3.46104482999767 | epot = -19.632763380221 | etot = -13.282537671597 -965000 ekin = 2.84645277180946 | erot = 3.46610960648151 | epot = -19.5951000499324 | etot = -13.2825376716414 -966000 ekin = 2.78809663571847 | erot = 3.44886971922285 | epot = -19.5195040264054 | etot = -13.2825376714641 -967000 ekin = 2.71967964182096 | erot = 3.41234902495006 | epot = -19.4145663381934 | etot = -13.2825376714224 -968000 ekin = 2.64387658032753 | erot = 3.35650459869427 | epot = -19.2829188502389 | etot = -13.2825376712171 -969000 ekin = 2.5636598359908 | erot = 3.28213071774803 | epot = -19.1283282245599 | etot = -13.282537670821 -970000 ekin = 2.48311062142641 | erot = 3.19174642313887 | epot = -18.9573947148006 | etot = -13.2825376702353 -971000 ekin = 2.40743965733721 | erot = 3.08950974407855 | epot = -18.7794870709146 | etot = -13.2825376694988 -972000 ekin = 2.34264905762229 | erot = 2.98071332522745 | epot = -18.6059000516929 | etot = -13.2825376688431 -973000 ekin = 2.29453827360496 | erot = 2.87084836320828 | epot = -18.4479243047972 | etot = -13.282537667984 -974000 ekin = 2.26986492523629 | erot = 2.76590322630273 | epot = -18.3183058187963 | etot = -13.2825376672573 -975000 ekin = 2.27457634340147 | erot = 2.67096736257246 | epot = -18.2280813727252 | etot = -13.2825376667513 -976000 ekin = 2.31300758345889 | erot = 2.58967385348542 | epot = -18.1852191035746 | etot = -13.2825376666303 -977000 ekin = 2.38775385248975 | erot = 2.52429198072532 | epot = -18.1945835001601 | etot = -13.282537666945 -978000 ekin = 2.49343132116534 | erot = 2.47478959071677 | epot = -18.250758581399 | etot = -13.2825376695168 -979000 ekin = 2.63194261796709 | erot = 2.43666985312452 | epot = -18.3511501394741 | etot = -13.2825376683825 -980000 ekin = 2.80143349398027 | erot = 2.41383709773151 | epot = -18.4978082614141 | etot = -13.2825376697023 -981000 ekin = 2.97613228560276 | erot = 2.40353470196688 | epot = -18.6622046578968 | etot = -13.2825376703271 -982000 ekin = 3.15493786386392 | erot = 2.40097885129711 | epot = -18.8384543865171 | etot = -13.2825376713561 -983000 ekin = 3.32895075407343 | erot = 2.40358703807687 | epot = -19.0150754641488 | etot = -13.2825376719985 -984000 ekin = 3.48942626012081 | erot = 2.40902391909424 | epot = -19.1809878517146 | etot = -13.2825376724995 -985000 ekin = 3.63060554065164 | erot = 2.41512886518655 | epot = -19.3282720786893 | etot = -13.2825376728511 -986000 ekin = 3.74861810546827 | erot = 2.42024356026037 | epot = -19.4513993386244 | etot = -13.2825376728957 -987000 ekin = 3.84212741102323 | erot = 2.42421773192364 | epot = -19.5488828158586 | etot = -13.2825376729117 -988000 ekin = 3.91118765036607 | erot = 2.42704295376118 | epot = -19.6207682769566 | etot = -13.2825376728293 -989000 ekin = 3.95686695907234 | erot = 2.42875435934639 | epot = -19.6681589910888 | etot = -13.28253767267 -990000 ekin = 3.98122336719007 | erot = 2.42964012334027 | epot = -19.6934011629788 | etot = -13.2825376724485 -991000 ekin = 3.98715071444002 | erot = 2.43015135461192 | epot = -19.6998397412253 | etot = -13.2825376721734 -992000 ekin = 3.97827672381777 | erot = 2.43082965983246 | epot = -19.6916440567119 | etot = -13.2825376730616 -993000 ekin = 3.95551199283863 | erot = 2.42901824167109 | epot = -19.667067907421 | etot = -13.2825376729113 -994000 ekin = 3.91976370648951 | erot = 2.42191618451507 | epot = -19.6242175637032 | etot = -13.2825376726986 -995000 ekin = 3.87458078794846 | erot = 2.4093277557877 | epot = -19.5664462161636 | etot = -13.2825376724274 -996000 ekin = 3.82377191573499 | erot = 2.39162261227942 | epot = -19.4979322001273 | etot = -13.2825376721129 -997000 ekin = 3.77108738620107 | erot = 2.36980944943232 | epot = -19.4234345074163 | etot = -13.282537671783 -998000 ekin = 3.71986049080444 | erot = 2.34548651217898 | epot = -19.3478846744548 | etot = -13.2825376714714 -999000 ekin = 3.67268794449355 | erot = 2.32066228967754 | epot = -19.2758879053829 | etot = -13.2825376712118 -1000000 ekin = 3.63122130708104 | erot = 2.29747929874878 | epot = -19.2112382768594 | etot = -13.2825376710296 - 1000000 0.16138761 -1.2609484 0.060246044 -0.97375106 -5.5311015e-05 -Loop time of 27.9244 on 1 procs for 1000000 steps with 16 atoms - -Performance: 30940.635 tau/day, 35810.920 timesteps/s -98.8% CPU use with 1 MPI tasks x no OpenMP threads - -MPI task timing breakdown: -Section | min time | avg time | max time |%varavg| %total ---------------------------------------------------------------- -Pair | 24.096 | 24.096 | 24.096 | 0.0 | 86.29 -Bond | 0.98737 | 0.98737 | 0.98737 | 0.0 | 3.54 -Neigh | 0.000168 | 0.000168 | 0.000168 | 0.0 | 0.00 -Comm | 0.20002 | 0.20002 | 0.20002 | 0.0 | 0.72 -Output | 1e-05 | 1e-05 | 1e-05 | 0.0 | 0.00 -Modify | 2.3385 | 2.3385 | 2.3385 | 0.0 | 8.37 -Other | | 0.3022 | | | 1.08 - -Nlocal: 16.0 ave 16.0 max 16.0 min -Histogram: 1 0 0 0 0 0 0 0 0 0 -Nghost: 0.0 ave 0.0 max 0.0 min -Histogram: 1 0 0 0 0 0 0 0 0 0 -Neighs: 77.0 ave 77.0 max 77.0 min -Histogram: 1 0 0 0 0 0 0 0 0 0 - -Total # of neighbors = 77 -Ave neighs/atom = 4.8125 -Ave special neighs/atom = 3.75 -Neighbor list builds = 7 -Dangerous builds = 0 - -#write_restart config.${number}.* -Total wall time: 0:00:27 diff --git a/examples/PACKAGES/cgdna/examples/oxRNA2/duplex4/log.30Jun20.duplex4.g++.4 b/examples/PACKAGES/cgdna/examples/oxRNA2/duplex4/log.30Jun20.duplex4.g++.4 deleted file mode 100644 index aa5a15156a..0000000000 --- a/examples/PACKAGES/cgdna/examples/oxRNA2/duplex4/log.30Jun20.duplex4.g++.4 +++ /dev/null @@ -1,1183 +0,0 @@ -LAMMPS (30 Jun 2020) -variable number equal 4 -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 -WARNING: Atom_style hybrid defines both pertype and peratom masses - both must be set, only peratom masses will be used (../atom_vec_hybrid.cpp:156) -atom_modify sort 0 1.0 - -# Pair interactions require lists of neighbours to be calculated -neighbor 1.0 bin -neigh_modify every 1 delay 0 check yes - -read_data data.duplex4 - orthogonal box = (-20 -20 -20) to (20 20 20) - 1 by 2 by 2 MPI processor grid - reading atoms ... - 16 atoms - reading velocities ... - 16 velocities - 16 ellipsoids - scanning bonds ... - 2 = max bonds/atom - reading bonds ... - 13 bonds - 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 = 0.004 seconds - -set atom * mass 3.1575 - 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 - 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} 0.5 1.02455 -pair_coeff * * oxrna2/dh 0.1 0.5 1.02455 - -# NVE ensemble -#fix 1 all nve/dotc/langevin 0.1 0.1 0.03 457145 angmom 10 -#fix 1 all nve/dot -fix 1 all nve/asphere - -timestep 1e-5 - -#comm_style tiled -#fix 3 all balance 10000 1.1 rcb -comm_modify cutoff 2.5 - -#compute mol all chunk/atom molecule -#compute mychunk all vcm/chunk mol -#fix 4 all ave/time 10000 1 10000 c_mychunk[1] c_mychunk[2] c_mychunk[3] file vcm.txt mode vector - -#dump pos all xyz ${ofreq} traj.${number}.xyz - -#compute quat all property/atom quatw quati quatj quatk -#dump quat all custom ${ofreq} quat.${number}.txt id c_quat[1] c_quat[2] c_quat[3] c_quat[4] -#dump_modify quat sort id -#dump_modify quat format line "%d %13.6le %13.6le %13.6le %13.6le" - -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}.txt id x y z vx vy vz fx fy fz tqx tqy tqz -#dump_modify out sort id -#dump_modify out format line "%d %13.9f %13.9f %13.9f %13.9f %13.9f %13.9f %13.9f %13.9f %13.9f %13.9f %13.9f %13.9f" - -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 = 3.3014979 - ghost atom cutoff = 3.3014979 - binsize = 1.650749, bins = 25 25 25 - 6 neighbor lists, perpetual/occasional/extra = 6 0 0 - (1) pair oxrna2/excv, perpetual - attributes: half, newton off - pair build: half/bin/newtoff - stencil: half/bin/3d/newtoff - bin: standard - (2) pair oxrna2/stk, perpetual, copy from (1) - attributes: half, newton off - pair build: copy - stencil: none - bin: none - (3) pair oxrna2/hbond, perpetual, copy from (1) - attributes: half, newton off - pair build: copy - stencil: none - bin: none - (4) pair oxrna2/xstk, perpetual, copy from (1) - attributes: half, newton off - pair build: copy - stencil: none - bin: none - (5) pair oxrna2/coaxstk, perpetual, copy from (1) - attributes: half, newton off - pair build: copy - stencil: none - bin: none - (6) pair oxrna2/dh, perpetual, copy from (1) - attributes: half, newton off - pair build: copy - stencil: none - bin: none -WARNING: Communication cutoff adjusted to 3.3014979169291987 (../comm.cpp:690) -0 ekin = 0 | erot = 0 | epot = -13.282537590974 | etot = -13.282537590974 -Per MPI rank memory allocation (min/avg/max) = 8.005 | 8.062 | 8.119 Mbytes -Step Temp E_pair E_mol TotEng Press - 0 0 -0.84341458 0.013255977 -0.8301586 -2.0169485e-05 -1000 ekin = 0.00448503054655829 | erot = 0.00825381229599554 | epot = -13.2952764343121 | etot = -13.2825375914696 -2000 ekin = 0.0179027901180383 | erot = 0.0327684151333158 | epot = -13.333208796773 | etot = -13.2825375915216 -3000 ekin = 0.0401478317723388 | erot = 0.0728240143062734 | epot = -13.3955094376812 | etot = -13.2825375916026 -4000 ekin = 0.0710654348932012 | erot = 0.127292706282676 | epot = -13.4808957328803 | etot = -13.2825375917044 -5000 ekin = 0.110480309743627 | erot = 0.194739074279345 | epot = -13.58775697584 | etot = -13.282537591817 -6000 ekin = 0.158231230694386 | erot = 0.273546913858364 | epot = -13.7143157364821 | etot = -13.2825375919294 -7000 ekin = 0.214206450831694 | erot = 0.362058396900661 | epot = -13.8588024397635 | etot = -13.2825375920312 -8000 ekin = 0.27837411184999 | erot = 0.458709556671591 | epot = -14.0196212606354 | etot = -13.2825375921138 -9000 ekin = 0.350802094030117 | erot = 0.562145629087582 | epot = -14.1954853152897 | etot = -13.282537592172 -10000 ekin = 0.431663021447632 | erot = 0.671302139461542 | epot = -14.3855027531133 | etot = -13.2825375922041 -11000 ekin = 0.521222365620092 | erot = 0.785442646223518 | epot = -14.5892026040564 | etot = -13.2825375922128 -12000 ekin = 0.619810398735201 | erot = 0.90415088836544 | epot = -14.8064988793047 | etot = -13.2825375922041 -13000 ekin = 0.727781531798581 | erot = 1.02728222251184 | epot = -15.0376013464965 | etot = -13.2825375921861 -14000 ekin = 0.845466747659119 | erot = 1.15488520186341 | epot = -15.2828895416906 | etot = -13.2825375921681 -15000 ekin = 0.973515286429056 | erot = 1.28640002432427 | epot = -15.5424529041403 | etot = -13.282537593387 -16000 ekin = 1.12323013751051 | erot = 1.4038749539854 | epot = -15.8096426839246 | etot = -13.2825375924286 -17000 ekin = 1.29769272832575 | erot = 1.51347784068601 | epot = -16.0937081607386 | etot = -13.2825375917268 -18000 ekin = 1.48565191084472 | erot = 1.63592970999597 | epot = -16.4041192134335 | etot = -13.2825375925929 -19000 ekin = 1.66750911163292 | erot = 1.77940241938649 | epot = -16.7294491246356 | etot = -13.2825375936162 -20000 ekin = 1.84148924290367 | erot = 1.93695511183614 | epot = -17.0609819484045 | etot = -13.2825375936647 -21000 ekin = 2.02307741366106 | erot = 2.09844265792887 | epot = -17.4040576653927 | etot = -13.2825375938028 -22000 ekin = 2.21183606977167 | erot = 2.26260708947227 | epot = -17.7569807531574 | etot = -13.2825375939135 -23000 ekin = 2.40735468792923 | erot = 2.42817202047232 | epot = -18.1180643024984 | etot = -13.2825375940969 -24000 ekin = 2.60896890448811 | erot = 2.59357882573777 | epot = -18.4850853245068 | etot = -13.2825375942809 -25000 ekin = 2.815801354773 | erot = 2.75706655666979 | epot = -18.8554055059558 | etot = -13.282537594513 -26000 ekin = 3.02680083558447 | erot = 2.91667946897181 | epot = -19.2260178993261 | etot = -13.2825375947698 -27000 ekin = 3.24067707260278 | erot = 3.07027299756425 | epot = -19.5934876652165 | etot = -13.2825375950495 -28000 ekin = 3.45601412953551 | erot = 3.21560615187967 | epot = -19.9541578767284 | etot = -13.2825375953133 -29000 ekin = 3.67136830813179 | erot = 3.35037905822876 | epot = -20.3042849619982 | etot = -13.2825375956377 -30000 ekin = 3.88476027224393 | erot = 3.47208481891771 | epot = -20.6393826871844 | etot = -13.2825375960227 -31000 ekin = 4.09387957878907 | erot = 3.57821385031972 | epot = -20.9546310254505 | etot = -13.2825375963417 -32000 ekin = 4.2966218534583 | erot = 3.6664860653108 | epot = -21.2456455154184 | etot = -13.2825375966493 -33000 ekin = 4.49089153394099 | erot = 3.73482555362516 | epot = -21.5082546845017 | etot = -13.2825375969356 -34000 ekin = 4.67464118182325 | erot = 3.78142516888949 | epot = -21.7386039479011 | etot = -13.2825375971883 -35000 ekin = 4.84586411782109 | erot = 3.80480460777856 | epot = -21.9332063229965 | etot = -13.2825375973968 -36000 ekin = 5.0027094048744 | erot = 3.80394535032719 | epot = -22.0891923527598 | etot = -13.2825375975582 -37000 ekin = 5.14355281474345 | erot = 3.77833709530338 | epot = -22.2044275077127 | etot = -13.2825375976659 -38000 ekin = 5.26699752588952 | erot = 3.72801268545681 | epot = -22.2775478090603 | etot = -13.282537597714 -39000 ekin = 5.37191151713971 | erot = 3.65359747923658 | epot = -22.3080465940747 | etot = -13.2825375976984 -40000 ekin = 5.45746010972539 | erot = 3.55633701588603 | epot = -22.2963347232318 | etot = -13.2825375976204 -41000 ekin = 5.52312188621432 | erot = 3.43809872369872 | epot = -22.2437582073857 | etot = -13.2825375974727 -42000 ekin = 5.56872044212123 | erot = 3.3013527933319 | epot = -22.1526108327172 | etot = -13.2825375972641 -43000 ekin = 5.59443660083054 | erot = 3.14910305123766 | epot = -22.0260772490709 | etot = -13.2825375970027 -44000 ekin = 5.60078634437832 | erot = 2.98477133565166 | epot = -21.8680952767313 | etot = -13.2825375967014 -45000 ekin = 5.58859564323475 | erot = 2.81204277265363 | epot = -21.6831760122637 | etot = -13.2825375963753 -46000 ekin = 5.55896198288938 | erot = 2.6346956216755 | epot = -21.4761952006028 | etot = -13.2825375960379 -47000 ekin = 5.51320424222089 | erot = 2.45646420183095 | epot = -21.2522060397504 | etot = -13.2825375956985 -48000 ekin = 5.45280176988658 | erot = 2.28095947573165 | epot = -21.0162988409789 | etot = -13.2825375953606 -49000 ekin = 5.37933239946777 | erot = 2.11161440403301 | epot = -20.7734843985466 | etot = -13.2825375950459 -50000 ekin = 5.29440598595322 | erot = 1.95156309993227 | epot = -20.5285066806364 | etot = -13.2825375947509 -51000 ekin = 5.19960275040365 | erot = 1.80366343983081 | epot = -20.2858037847169 | etot = -13.2825375944825 -52000 ekin = 5.09642319962078 | erot = 1.6704687709701 | epot = -20.0494295648296 | etot = -13.2825375942388 -53000 ekin = 4.98624639554453 | erot = 1.55427111116844 | epot = -19.8230551007342 | etot = -13.2825375940213 -54000 ekin = 4.87030445561618 | erot = 1.4571046995688 | epot = -19.6099467490168 | etot = -13.2825375938318 -55000 ekin = 4.74966978520253 | erot = 1.3807464290206 | epot = -19.4129538078759 | etot = -13.2825375936527 -56000 ekin = 4.62525646671059 | erot = 1.32681969001188 | epot = -19.2346137502498 | etot = -13.2825375935274 -57000 ekin = 4.49783496228329 | erot = 1.29648861711317 | epot = -19.0768611728244 | etot = -13.2825375934279 -58000 ekin = 4.3680583246168 | erot = 1.29057331365756 | epot = -18.9411692316282 | etot = -13.2825375933538 -59000 ekin = 4.23649045860609 | erot = 1.30961007130899 | epot = -18.828638123218 | etot = -13.2825375933029 -60000 ekin = 4.10363649615241 | erot = 1.35385055377105 | epot = -18.7400246431965 | etot = -13.2825375932731 -61000 ekin = 3.96997203629848 | erot = 1.42326526715471 | epot = -18.6757748967159 | etot = -13.2825375932627 -62000 ekin = 3.8361228573534 | erot = 1.51750909475347 | epot = -18.63616954536 | etot = -13.2825375932531 -63000 ekin = 3.70275913153356 | erot = 1.63593500305273 | epot = -18.6212317278744 | etot = -13.2825375932881 -64000 ekin = 3.57028395426148 | erot = 1.77765695762388 | epot = -18.6304785052257 | etot = -13.2825375933403 -65000 ekin = 3.43939724701883 | erot = 1.94136642645281 | epot = -18.6633012668463 | etot = -13.2825375933747 -66000 ekin = 3.31090885650503 | erot = 2.12543845180006 | epot = -18.7188849017622 | etot = -13.2825375934572 -67000 ekin = 3.18539537800154 | erot = 2.32812634152817 | epot = -18.7960593130801 | etot = -13.2825375935504 -68000 ekin = 3.0635338653806 | erot = 2.54742667497474 | epot = -18.8934981340094 | etot = -13.2825375936541 -69000 ekin = 2.94609585152155 | erot = 2.78109018587035 | epot = -19.009723631161 | etot = -13.2825375937691 -70000 ekin = 2.83393040716521 | erot = 3.02662959649543 | epot = -19.1430975975569 | etot = -13.2825375938963 -71000 ekin = 2.72793726696403 | erot = 3.28133994286028 | epot = -19.2918148038557 | etot = -13.2825375940314 -72000 ekin = 2.62902971043669 | erot = 3.54239819983024 | epot = -19.4539655044234 | etot = -13.2825375941565 -73000 ekin = 2.53808722042923 | erot = 3.80701983458394 | epot = -19.6276446493613 | etot = -13.2825375943481 -74000 ekin = 2.45592865526949 | erot = 4.07171344127284 | epot = -19.8101796911555 | etot = -13.2825375946132 -75000 ekin = 2.3833072864547 | erot = 4.33220600221002 | epot = -19.9980508835331 | etot = -13.2825375948683 -76000 ekin = 2.32085819246852 | erot = 4.58430888321027 | epot = -20.1877046708076 | etot = -13.2825375951288 -77000 ekin = 2.26905284042002 | erot = 4.82394209159159 | epot = -20.3755325274035 | etot = -13.2825375953919 -78000 ekin = 2.22818215579792 | erot = 5.04720004762804 | epot = -20.5579197990804 | etot = -13.2825375956544 -79000 ekin = 2.19835990746569 | erot = 5.25044819004257 | epot = -20.7313456933952 | etot = -13.2825375958869 -80000 ekin = 2.17954213158754 | erot = 5.43056087724072 | epot = -20.8926406049113 | etot = -13.2825375960831 -81000 ekin = 2.17154912845079 | erot = 5.58515654974133 | epot = -21.0392432744253 | etot = -13.2825375962332 -82000 ekin = 2.17396051633385 | erot = 5.71255070218911 | epot = -21.1690488148905 | etot = -13.2825375963675 -83000 ekin = 2.18608268543497 | erot = 5.8115938913987 | epot = -21.2802141733995 | etot = -13.2825375965659 -84000 ekin = 2.20694055797086 | erot = 5.88143457462865 | epot = -21.3709127292227 | etot = -13.2825375966232 -85000 ekin = 2.2355007346888 | erot = 5.9224847336172 | epot = -21.440523064944 | etot = -13.282537596638 -86000 ekin = 2.27071025957208 | erot = 5.93583657914561 | epot = -21.4890844353357 | etot = -13.282537596618 -87000 ekin = 2.31151705668532 | erot = 5.92306118835237 | epot = -21.5171158416083 | etot = -13.2825375965707 -88000 ekin = 2.35689880582359 | erot = 5.88606517856767 | epot = -21.5255015808933 | etot = -13.282537596502 -89000 ekin = 2.40589192121093 | erot = 5.82697176767523 | epot = -21.515401285302 | etot = -13.2825375964158 -90000 ekin = 2.45762089189478 | erot = 5.74803678246289 | epot = -21.4881952706713 | etot = -13.2825375963137 -91000 ekin = 2.51132727735637 | erot = 5.65159908896529 | epot = -21.4454639625174 | etot = -13.2825375961958 -92000 ekin = 2.56639616299203 | erot = 5.54005576568085 | epot = -21.3889895247349 | etot = -13.282537596062 -93000 ekin = 2.62237587147907 | erot = 5.41584923925793 | epot = -21.3207627066506 | etot = -13.2825375959136 -94000 ekin = 2.6789853628744 | erot = 5.28145076624312 | epot = -21.242973724871 | etot = -13.2825375957535 -95000 ekin = 2.73610698777042 | erot = 5.1393322247884 | epot = -21.1579768081446 | etot = -13.2825375955858 -96000 ekin = 2.79376736409308 | erot = 4.99192351961226 | epot = -21.0682284791232 | etot = -13.2825375954179 -97000 ekin = 2.85209759177855 | erot = 4.84155102932086 | epot = -20.9761862163575 | etot = -13.2825375952581 -98000 ekin = 2.91128043087762 | erot = 4.69036811429654 | epot = -20.8841861402892 | etot = -13.2825375951151 -99000 ekin = 2.97148865716326 | erot = 4.54028690688497 | epot = -20.7943131590452 | etot = -13.282537594997 -100000 ekin = 3.03281936548454 | erot = 4.39291958378067 | epot = -20.7082765441758 | etot = -13.2825375949106 -101000 ekin = 3.09523162855491 | erot = 4.24953761553784 | epot = -20.6273068389531 | etot = -13.2825375948603 -102000 ekin = 3.15849350649712 | erot = 4.11105261279967 | epot = -20.552083714145 | etot = -13.2825375948482 -103000 ekin = 3.22212928739632 | erot = 3.97803233781191 | epot = -20.4826992200835 | etot = -13.2825375948753 -104000 ekin = 3.28539028419995 | erot = 3.85073569994647 | epot = -20.4186635790814 | etot = -13.282537594935 -105000 ekin = 3.34731475817756 | erot = 3.72912316717864 | epot = -20.3589755203797 | etot = -13.2825375950235 -106000 ekin = 3.40672794730861 | erot = 3.61292637549597 | epot = -20.3021919179397 | etot = -13.2825375951351 -107000 ekin = 3.46228544964886 | erot = 3.50170395486082 | epot = -20.2465269997722 | etot = -13.2825375952625 -108000 ekin = 3.51253156080083 | erot = 3.39489824023779 | epot = -20.1899673964366 | etot = -13.282537595398 -109000 ekin = 3.55597480315881 | erot = 3.2918729970377 | epot = -20.1303853957321 | etot = -13.2825375955356 -110000 ekin = 3.59118238705156 | erot = 3.19193918351237 | epot = -20.0656591662303 | etot = -13.2825375956664 -111000 ekin = 3.6168734377865 | erot = 3.09439958031586 | epot = -19.993810613884 | etot = -13.2825375957817 -112000 ekin = 3.63202144077097 | erot = 2.99858073408855 | epot = -19.9131397707325 | etot = -13.282537595873 -113000 ekin = 3.6359567760499 | erot = 2.90386796422028 | epot = -19.8223623362014 | etot = -13.2825375959312 -114000 ekin = 3.62846110509032 | erot = 2.80974594394075 | epot = -19.7207446449794 | etot = -13.2825375959483 -115000 ekin = 3.60984333606135 | erot = 2.71584476484498 | epot = -19.6082256968239 | etot = -13.2825375959176 -116000 ekin = 3.5809859294631 | erot = 2.62198860618847 | epot = -19.4855121314881 | etot = -13.2825375958365 -117000 ekin = 3.54334240221411 | erot = 2.52827901424299 | epot = -19.354159012147 | etot = -13.2825375956899 -118000 ekin = 3.49891828359518 | erot = 2.43512420844321 | epot = -19.2165800875462 | etot = -13.2825375955078 -119000 ekin = 3.45018316481888 | erot = 2.3431314417893 | epot = -19.0758522018948 | etot = -13.2825375952866 -120000 ekin = 3.39991853306425 | erot = 2.25319419875556 | epot = -18.9356503268585 | etot = -13.2825375950387 -121000 ekin = 3.35105152049006 | erot = 2.1664659738711 | epot = -18.8000550891398 | etot = -13.2825375947787 -122000 ekin = 3.30648176977477 | erot = 2.08430580539905 | epot = -18.6733251696944 | etot = -13.2825375945206 -123000 ekin = 3.2689296615607 | erot = 2.00820635396295 | epot = -18.5596736097996 | etot = -13.282537594276 -124000 ekin = 3.24083330103893 | erot = 1.93971532774534 | epot = -18.4630862228354 | etot = -13.2825375940511 -125000 ekin = 3.22476145827485 | erot = 1.8802958129316 | epot = -18.387594863397 | etot = -13.2825375921905 -126000 ekin = 3.14878052704725 | erot = 1.84062475589711 | epot = -18.2719429098034 | etot = -13.282537626859 -127000 ekin = 2.94943277103416 | erot = 1.88659542758862 | epot = -18.11856577358 | etot = -13.2825375749572 -128000 ekin = 3.16220879321558 | erot = 1.96338946783192 | epot = -18.4081359062159 | etot = -13.2825376451684 -129000 ekin = 3.31015030132692 | erot = 1.94720836362345 | epot = -18.5398963214827 | etot = -13.2825376565323 -130000 ekin = 3.44972038724563 | erot = 1.92633510568783 | epot = -18.6585931496318 | etot = -13.2825376566984 -131000 ekin = 3.58872168957087 | erot = 1.90769906106584 | epot = -18.7789584074295 | etot = -13.2825376567928 -132000 ekin = 3.72319125317256 | erot = 1.89293715413269 | epot = -18.8986660641582 | etot = -13.282537656853 -133000 ekin = 3.8497825175539 | erot = 1.88373597103122 | epot = -19.0160561454723 | etot = -13.2825376568872 -134000 ekin = 3.9655798495172 | erot = 1.8817190850278 | epot = -19.1298365915079 | etot = -13.2825376569629 -135000 ekin = 4.06807957718167 | erot = 1.88790714285721 | epot = -19.2385243770747 | etot = -13.2825376570358 -136000 ekin = 4.15531911327304 | erot = 1.90286269173082 | epot = -19.3407194621007 | etot = -13.2825376570969 -137000 ekin = 4.22592766896971 | erot = 1.92681130724396 | epot = -19.4352766333492 | etot = -13.2825376571355 -138000 ekin = 4.27918313098009 | erot = 1.95973390207694 | epot = -19.5214546902017 | etot = -13.2825376571446 -139000 ekin = 4.31500256681588 | erot = 2.00154238231142 | epot = -19.5990826062102 | etot = -13.2825376570829 -140000 ekin = 4.33403278412117 | erot = 2.05223040229225 | epot = -19.6688008434059 | etot = -13.2825376569925 -141000 ekin = 4.33751047770814 | erot = 2.11180924821164 | epot = -19.7318573827859 | etot = -13.2825376568661 -142000 ekin = 4.32708478663596 | erot = 2.18042096416729 | epot = -19.7900434075185 | etot = -13.2825376567153 -143000 ekin = 4.30467959787758 | erot = 2.25833701673771 | epot = -19.845554271157 | etot = -13.2825376565417 -144000 ekin = 4.27235382259283 | erot = 2.3459516541184 | epot = -19.9008431331017 | etot = -13.2825376563904 -145000 ekin = 4.23214636981281 | erot = 2.44344334214771 | epot = -19.9581273682276 | etot = -13.2825376562671 -146000 ekin = 4.18594231916965 | erot = 2.55071340549387 | epot = -20.0191933808494 | etot = -13.2825376561859 -147000 ekin = 4.13537962661628 | erot = 2.66728850163299 | epot = -20.0852057844054 | etot = -13.2825376561562 -148000 ekin = 4.08179900889746 | erot = 2.79223549069502 | epot = -20.1565721557737 | etot = -13.2825376561812 -149000 ekin = 4.02623498472355 | erot = 2.92411986899913 | epot = -20.2328925099828 | etot = -13.2825376562601 -150000 ekin = 3.96943958307735 | erot = 3.06100347347696 | epot = -20.3129807129432 | etot = -13.2825376563889 -151000 ekin = 3.91192645323312 | erot = 3.20047132483891 | epot = -20.3949354346338 | etot = -13.2825376565618 -152000 ekin = 3.85402372610912 | erot = 3.3396787748025 | epot = -20.4762401576838 | etot = -13.2825376567722 -153000 ekin = 3.79592773401811 | erot = 3.47541715770496 | epot = -20.5538825487347 | etot = -13.2825376570116 -154000 ekin = 3.7377553070406 | erot = 3.60420547216162 | epot = -20.6244984364711 | etot = -13.2825376572689 -155000 ekin = 3.67959791029876 | erot = 3.72242217783006 | epot = -20.6845577456572 | etot = -13.2825376575284 -156000 ekin = 3.62158147939242 | erot = 3.82649073830597 | epot = -20.7306098754674 | etot = -13.282537657769 -157000 ekin = 3.56393625541153 | erot = 3.91312084630165 | epot = -20.7595947596795 | etot = -13.2825376579664 -158000 ekin = 3.50707329925246 | erot = 3.97958736500162 | epot = -20.7691983223494 | etot = -13.2825376580953 -159000 ekin = 3.45165682738677 | erot = 4.02400734849703 | epot = -20.7582018340196 | etot = -13.2825376581358 -160000 ekin = 3.39865532558926 | erot = 4.04555903021762 | epot = -20.7267520138841 | etot = -13.2825376580772 -161000 ekin = 3.34935406486454 | erot = 4.04458967179496 | epot = -20.6764813945816 | etot = -13.2825376579221 -162000 ekin = 3.30532015421547 | erot = 4.02258247379647 | epot = -20.6104402856973 | etot = -13.2825376576853 -163000 ekin = 3.26831809803595 | erot = 3.98198669358187 | epot = -20.5328424490092 | etot = -13.2825376573914 -164000 ekin = 3.24018500158393 | erot = 3.92594872656758 | epot = -20.448671385221 | etot = -13.2825376570695 -165000 ekin = 3.22267663501618 | erot = 3.85799639398401 | epot = -20.3632106857525 | etot = -13.2825376567523 -166000 ekin = 3.21735668268655 | erot = 3.78179957337404 | epot = -20.2816939123394 | etot = -13.2825376562788 -167000 ekin = 3.22508554133831 | erot = 3.70216421851945 | epot = -20.2097874159608 | etot = -13.282537656103 -168000 ekin = 3.24596106315309 | erot = 3.62279974210026 | epot = -20.1512984612667 | etot = -13.2825376560133 -169000 ekin = 3.27955383501576 | erot = 3.54538235194467 | epot = -20.1074738429824 | etot = -13.282537656022 -170000 ekin = 3.32466734771607 | erot = 3.47077759716863 | epot = -20.0779826010129 | etot = -13.2825376561282 -171000 ekin = 3.37937800793454 | erot = 3.39904334979686 | epot = -20.0609590140444 | etot = -13.282537656313 -172000 ekin = 3.44119436380834 | erot = 3.32956363469193 | epot = -20.0532956550461 | etot = -13.2825376565459 -173000 ekin = 3.5073198530207 | erot = 3.2612835945287 | epot = -20.051141104334 | etot = -13.2825376567846 -174000 ekin = 3.57497712060509 | erot = 3.19303082809317 | epot = -20.0505456056827 | etot = -13.2825376569845 -175000 ekin = 3.64173116724473 | erot = 3.12386956099425 | epot = -20.0481383853471 | etot = -13.2825376571082 -176000 ekin = 3.70574771912998 | erot = 3.05341479574251 | epot = -20.0417001720045 | etot = -13.282537657132 -177000 ekin = 3.76593888056791 | erot = 2.98204284338433 | epot = -20.0305193810041 | etot = -13.2825376570519 -178000 ekin = 3.82196164475597 | erot = 2.91094638159331 | epot = -20.0154456832348 | etot = -13.2825376568855 -179000 ekin = 3.87411507697419 | erot = 2.8420411011697 | epot = -19.9986938347981 | etot = -13.2825376566543 -180000 ekin = 3.92317967933079 | erot = 2.77773953428165 | epot = -19.9834568700055 | etot = -13.2825376563931 -181000 ekin = 3.97015764234259 | erot = 2.72070235461336 | epot = -19.973397653084 | etot = -13.2825376561281 -182000 ekin = 4.01610171617377 | erot = 2.67349840169278 | epot = -19.9721377738001 | etot = -13.2825376559335 -183000 ekin = 4.06177363427588 | erot = 2.63812245871518 | epot = -19.9824337488122 | etot = -13.2825376558212 -184000 ekin = 4.10756653676875 | erot = 2.61575603465098 | epot = -20.0058602272084 | etot = -13.2825376557887 -185000 ekin = 4.1535465296398 | erot = 2.60670565064949 | epot = -20.0427898361268 | etot = -13.2825376558375 -186000 ekin = 4.19945391071947 | erot = 2.61036353554361 | epot = -20.0923551022258 | etot = -13.2825376559627 -187000 ekin = 4.24473107430486 | erot = 2.62524898284968 | epot = -20.1525177133085 | etot = -13.282537656154 -188000 ekin = 4.28856799818638 | erot = 2.64911845928539 | epot = -20.2202241138684 | etot = -13.2825376563966 -189000 ekin = 4.33007364398987 | erot = 2.67919947077904 | epot = -20.2918107713923 | etot = -13.2825376566233 -190000 ekin = 4.36845326745392 | erot = 2.71241964780855 | epot = -20.3634105721975 | etot = -13.282537656935 -191000 ekin = 4.40242074847318 | erot = 2.74530093921345 | epot = -20.4302593449098 | etot = -13.2825376572232 -192000 ekin = 4.43037880288196 | erot = 2.77455401038569 | epot = -20.4874704712234 | etot = -13.2825376579557 -193000 ekin = 4.4483451030517 | erot = 2.79692081276062 | epot = -20.5278035740367 | etot = -13.2825376582243 -194000 ekin = 4.45438337861199 | erot = 2.80974801333428 | epot = -20.5466690503493 | etot = -13.282537658403 -195000 ekin = 4.44752201417129 | erot = 2.81136444003151 | epot = -20.5414241126783 | etot = -13.2825376584755 -196000 ekin = 4.4273718790499 | erot = 2.80121240437835 | epot = -20.5111219418613 | etot = -13.2825376584331 -197000 ekin = 4.39418615090579 | erot = 2.77991547931552 | epot = -20.4566392884973 | etot = -13.282537658276 -198000 ekin = 4.3488852650832 | erot = 2.74924294053151 | epot = -20.3806658636282 | etot = -13.2825376580135 -199000 ekin = 4.2930400637885 | erot = 2.71196807404484 | epot = -20.2875457954979 | etot = -13.2825376576645 -200000 ekin = 4.228803621182 | erot = 2.67162662745973 | epot = -20.1829679058993 | etot = -13.2825376572575 -201000 ekin = 4.1587834630136 | erot = 2.63219133391197 | epot = -20.0735124537541 | etot = -13.2825376568285 -202000 ekin = 4.08585235174851 | erot = 2.59768848811678 | epot = -19.9660784962843 | etot = -13.282537656419 -203000 ekin = 4.01290418154487 | erot = 2.57179164674953 | epot = -19.8672334843662 | etot = -13.2825376560718 -204000 ekin = 3.94257872967339 | erot = 2.55743320244059 | epot = -19.7825495879401 | etot = -13.2825376558261 -205000 ekin = 3.8769885984992 | erot = 2.55647506167898 | epot = -19.7160013158905 | etot = -13.2825376557123 -206000 ekin = 3.81748743469334 | erot = 2.56947517652909 | epot = -19.6695002669703 | etot = -13.2825376557479 -207000 ekin = 3.76451595610977 | erot = 2.59557970374973 | epot = -19.6426333157935 | etot = -13.282537655934 -208000 ekin = 3.71755329412301 | erot = 2.63256413547951 | epot = -19.6326550858557 | etot = -13.2825376562532 -209000 ekin = 3.67518956841205 | erot = 2.6770413301753 | epot = -19.6347685552552 | etot = -13.2825376566678 -210000 ekin = 3.63532366958265 | erot = 2.72484401425423 | epot = -19.6427053409585 | etot = -13.2825376571216 -211000 ekin = 3.59547812025674 | erot = 2.7715653100656 | epot = -19.6495810878672 | etot = -13.2825376575449 -212000 ekin = 3.55320133886872 | erot = 2.81319346320055 | epot = -19.6489324599365 | etot = -13.2825376578672 -213000 ekin = 3.50649761292236 | erot = 2.84671880107394 | epot = -19.6357540720304 | etot = -13.2825376580341 -214000 ekin = 3.45419694129236 | erot = 2.87055671325175 | epot = -19.6072913125676 | etot = -13.2825376580235 -215000 ekin = 3.3961705526582 | erot = 2.88465790120113 | epot = -19.5633661117115 | etot = -13.2825376578522 -216000 ekin = 3.33333457774809 | erot = 2.89027487492404 | epot = -19.506147110241 | etot = -13.2825376575688 -217000 ekin = 3.26237078851854 | erot = 2.88652329141029 | epot = -19.4314317899046 | etot = -13.2825377099757 -218000 ekin = 3.0604126920775 | erot = 2.81741383451156 | epot = -19.1603641969459 | etot = -13.2825376703569 -219000 ekin = 2.93316276967125 | erot = 2.84460250247024 | epot = -19.0603029343598 | etot = -13.2825376622183 -220000 ekin = 2.96128614843719 | erot = 2.9890414566452 | epot = -19.2328653086372 | etot = -13.2825377035548 -221000 ekin = 2.90913828063365 | erot = 3.0370109417019 | epot = -19.2286868797585 | etot = -13.2825376574229 -222000 ekin = 2.8422737694587 | erot = 3.05603303801555 | epot = -19.1808444650453 | etot = -13.2825376575711 -223000 ekin = 2.78062900949199 | erot = 3.06232144542732 | epot = -19.1254881126293 | etot = -13.28253765771 -224000 ekin = 2.72480461600021 | erot = 3.05323876331451 | epot = -19.0605810371243 | etot = -13.2825376578096 -225000 ekin = 2.67532541220304 | erot = 3.02684795807043 | epot = -18.9847110281097 | etot = -13.2825376578362 -226000 ekin = 2.63276163036917 | erot = 2.98227164387466 | epot = -18.8975709320199 | etot = -13.2825376577761 -227000 ekin = 2.59776959648546 | erot = 2.91985728396212 | epot = -18.8001645380861 | etot = -13.2825376576386 -228000 ekin = 2.57104335950858 | erot = 2.84110209326577 | epot = -18.694683110226 | etot = -13.2825376574516 -229000 ekin = 2.55319781380102 | erot = 2.74837649564429 | epot = -18.5841119666965 | etot = -13.2825376572512 -230000 ekin = 2.54463522127649 | erot = 2.64454432367442 | epot = -18.4717172020187 | etot = -13.2825376570678 -231000 ekin = 2.54546021784584 | erot = 2.53260284792404 | epot = -18.3606007226851 | etot = -13.2825376569152 -232000 ekin = 2.55549307881052 | erot = 2.41545023211231 | epot = -18.2534809677089 | etot = -13.2825376567861 -233000 ekin = 2.57438548648707 | erot = 2.29583418255659 | epot = -18.1527573257021 | etot = -13.2825376566584 -234000 ekin = 2.60178443029238 | erot = 2.17645519655946 | epot = -18.0607772833611 | etot = -13.2825376565093 -235000 ekin = 2.63745218021138 | erot = 2.06012244390592 | epot = -17.9801122804485 | etot = -13.2825376563312 -236000 ekin = 2.68126373962444 | erot = 1.94983176913362 | epot = -17.9136331648965 | etot = -13.2825376561384 -237000 ekin = 2.73306880567087 | erot = 1.84868049785769 | epot = -17.8642869594917 | etot = -13.2825376559632 -238000 ekin = 2.79247907581076 | erot = 1.75962709169706 | epot = -17.8346438233489 | etot = -13.2825376558411 -239000 ekin = 2.85867594437833 | erot = 1.68518476454709 | epot = -17.8263983647234 | etot = -13.282537655798 -240000 ekin = 2.93031183915998 | erot = 1.62715662270522 | epot = -17.840006117709 | etot = -13.2825376558438 -241000 ekin = 3.00552986743756 | erot = 1.58648515289486 | epot = -17.8745526763053 | etot = -13.2825376559729 -242000 ekin = 3.0820836546576 | erot = 1.5632372672336 | epot = -17.9278585780576 | etot = -13.2825376561664 -243000 ekin = 3.15752262719394 | erot = 1.55671134418848 | epot = -17.9967716277795 | etot = -13.282537656397 -244000 ekin = 3.22940955213892 | erot = 1.56564064462356 | epot = -18.0775878533954 | etot = -13.2825376566329 -245000 ekin = 3.29554303953992 | erot = 1.58846457360084 | epot = -18.1665452699808 | etot = -13.28253765684 -246000 ekin = 3.35415939736937 | erot = 1.6236315970523 | epot = -18.2603286514115 | etot = -13.2825376569898 -247000 ekin = 3.40408574270723 | erot = 1.66988325611156 | epot = -18.3565066558819 | etot = -13.2825376570631 -248000 ekin = 3.4448166326331 | erot = 1.72645823945448 | epot = -18.4538125291441 | etot = -13.2825376570566 -249000 ekin = 3.47649663255696 | erot = 1.79316293261223 | epot = -18.5521972221528 | etot = -13.2825376569836 -250000 ekin = 3.49981192900835 | erot = 1.87028571125288 | epot = -18.6526352971325 | etot = -13.2825376568713 -251000 ekin = 3.51581851748353 | erot = 1.95837689015936 | epot = -18.7567330643956 | etot = -13.2825376567528 -252000 ekin = 3.52575126869662 | erot = 2.05795546201388 | epot = -18.8662443873696 | etot = -13.2825376566591 -253000 ekin = 3.53086049262996 | erot = 2.16922084359695 | epot = -18.9826189928386 | etot = -13.2825376566117 -254000 ekin = 3.5323092446383 | erot = 2.29183768672856 | epot = -19.1066845879863 | etot = -13.2825376566194 -255000 ekin = 3.53114146569609 | erot = 2.42483171779644 | epot = -19.2385108401714 | etot = -13.2825376566788 -256000 ekin = 3.5283101054336 | erot = 2.56659937924988 | epot = -19.3774471414622 | etot = -13.2825376567787 -257000 ekin = 3.52473759358505 | erot = 2.71500399460053 | epot = -19.5222792450903 | etot = -13.2825376569047 -258000 ekin = 3.52137545668075 | erot = 2.86751445186622 | epot = -19.6714275655916 | etot = -13.2825376570446 -259000 ekin = 3.51923070409731 | erot = 3.02134046698861 | epot = -19.8231088282789 | etot = -13.282537657193 -260000 ekin = 3.51933841084731 | erot = 3.17353025732487 | epot = -19.9754063255239 | etot = -13.2825376573517 -261000 ekin = 3.52267851351005 | erot = 3.32101670247621 | epot = -20.1262328735157 | etot = -13.2825376575294 -262000 ekin = 3.53003333481016 | erot = 3.46062452427784 | epot = -20.2731955168254 | etot = -13.2825376577374 -263000 ekin = 3.54180424035237 | erot = 3.58907231404639 | epot = -20.4134142123818 | etot = -13.282537657983 -264000 ekin = 3.55787447685355 | erot = 3.7030112779332 | epot = -20.5434234130516 | etot = -13.2825376582649 -265000 ekin = 3.57751330913366 | erot = 3.7991542896327 | epot = -20.6592052573327 | etot = -13.2825376585664 -266000 ekin = 3.59938201293792 | erot = 3.87452595149942 | epot = -20.7564456232916 | etot = -13.2825376588543 -267000 ekin = 3.62167235822857 | erot = 3.92682901662269 | epot = -20.8310390339333 | etot = -13.282537659082 -268000 ekin = 3.64237343768047 | erot = 3.95486700975685 | epot = -20.8797781066375 | etot = -13.2825376592002 -269000 ekin = 3.6596153375486 | erot = 3.95890941485044 | epot = -20.901062411574 | etot = -13.2825376591749 -270000 ekin = 3.67198713217804 | erot = 3.9408570080659 | epot = -20.8953817992456 | etot = -13.2825376590016 -271000 ekin = 3.67872329079266 | erot = 3.9041072632946 | epot = -20.865368212798 | etot = -13.2825376587107 -272000 ekin = 3.67969720542205 | erot = 3.85312017496749 | epot = -20.8153550387474 | etot = -13.2825376583578 -273000 ekin = 3.67523785304609 | erot = 3.79279347421283 | epot = -20.7505689852654 | etot = -13.2825376580065 -274000 ekin = 3.66585545030655 | erot = 3.72781503527724 | epot = -20.6762081432937 | etot = -13.28253765771 -275000 ekin = 3.65198266149228 | erot = 3.66213927987085 | epot = -20.5966595988644 | etot = -13.2825376575013 -276000 ekin = 3.63380683707674 | erot = 3.59866145944742 | epot = -20.5150059539162 | etot = -13.282537657392 -277000 ekin = 3.61121443635218 | erot = 3.53909052619982 | epot = -20.4328426199289 | etot = -13.2825376573769 -278000 ekin = 3.58382533557949 | erot = 3.48398196201246 | epot = -20.3503449550318 | etot = -13.2825376574399 -279000 ekin = 3.55107927466775 | erot = 3.43288767683711 | epot = -20.266504609063 | etot = -13.2825376575582 -280000 ekin = 3.512346488716 | erot = 3.38459301004971 | epot = -20.1794771564691 | etot = -13.2825376577034 -281000 ekin = 3.46705217022212 | erot = 3.33742016501593 | epot = -20.0870099930813 | etot = -13.2825376578432 -282000 ekin = 3.4148174354963 | erot = 3.28957539031116 | epot = -19.9869304837506 | etot = -13.2825376579432 -283000 ekin = 3.35561723861012 | erot = 3.23950140187618 | epot = -19.8776562984585 | etot = -13.2825376579722 -284000 ekin = 3.28993990743678 | erot = 3.18617834963535 | epot = -19.7586559149806 | etot = -13.2825376579084 -285000 ekin = 3.21891605429242 | erot = 3.12930993710604 | epot = -19.630763649145 | etot = -13.2825376577465 -286000 ekin = 3.14439051761661 | erot = 3.06934998331757 | epot = -19.4962781582957 | etot = -13.2825376573615 -287000 ekin = 3.06960009495524 | erot = 3.00728050107473 | epot = -19.3594182531579 | etot = -13.2825376571279 -288000 ekin = 2.99759349423509 | erot = 2.9441365645361 | epot = -19.2242677156211 | etot = -13.2825376568499 -289000 ekin = 2.93122590326888 | erot = 2.88109280424439 | epot = -19.0948563640672 | etot = -13.2825376565539 -290000 ekin = 2.87364775959469 | erot = 2.81936189019821 | epot = -18.9755473060555 | etot = -13.2825376562626 -291000 ekin = 2.82808392253171 | erot = 2.76008269212137 | epot = -18.8707042706452 | etot = -13.2825376559921 -292000 ekin = 2.79759576435947 | erot = 2.70430482357441 | epot = -18.7844382436877 | etot = -13.2825376557538 -293000 ekin = 2.78483509079536 | erot = 2.65304729582213 | epot = -18.7204200421748 | etot = -13.2825376555573 -294000 ekin = 2.79179688861761 | erot = 2.60738085283692 | epot = -18.6817153968686 | etot = -13.282537655414 -295000 ekin = 2.8195793452766 | erot = 2.56847294066441 | epot = -18.6705899412817 | etot = -13.2825376553407 -296000 ekin = 2.86809990605543 | erot = 2.53696733690238 | epot = -18.6876048985693 | etot = -13.2825376556115 -297000 ekin = 2.93560102202575 | erot = 2.51254790532664 | epot = -18.7306865831654 | etot = -13.2825376558131 -298000 ekin = 3.01880409347839 | erot = 2.49548083197626 | epot = -18.7968225815679 | etot = -13.2825376561133 -299000 ekin = 3.11317674937697 | erot = 2.4858527957229 | epot = -18.8815672015831 | etot = -13.2825376564832 -300000 ekin = 3.21328607489871 | erot = 2.4836345898414 | epot = -18.9794583216092 | etot = -13.2825376568691 -301000 ekin = 3.31333985043658 | erot = 2.48892965616305 | epot = -19.0848071638015 | etot = -13.2825376572019 -302000 ekin = 3.40783628219617 | erot = 2.50232511253297 | epot = -19.192699052147 | etot = -13.2825376574178 -303000 ekin = 3.49218145837423 | erot = 2.52518642841781 | epot = -19.2999055442748 | etot = -13.2825376574828 -304000 ekin = 3.56312110363128 | erot = 2.55971045465009 | epot = -19.4053692156879 | etot = -13.2825376574065 -305000 ekin = 3.6188877414327 | erot = 2.6086316969236 | epot = -19.5100570955968 | etot = -13.2825376572405 -306000 ekin = 3.65906113322095 | erot = 2.67462381277421 | epot = -19.616222603054 | etot = -13.2825376570589 -307000 ekin = 3.68422703808074 | erot = 2.75956355882326 | epot = -19.7263282538395 | etot = -13.2825376569355 -308000 ekin = 3.69555713019506 | erot = 2.86386132679045 | epot = -19.841956113912 | etot = -13.2825376569265 -309000 ekin = 3.6944221679418 | erot = 2.98601798220111 | epot = -19.9629778072023 | etot = -13.2825376570594 -310000 ekin = 3.68211177280709 | erot = 3.12248873496333 | epot = -20.0871381651018 | etot = -13.2825376573313 -311000 ekin = 3.65969154495063 | erot = 3.26786382117018 | epot = -20.2100930238327 | etot = -13.2825376577119 -312000 ekin = 3.62799191203377 | erot = 3.41533011396127 | epot = -20.3258596841446 | etot = -13.2825376581496 -313000 ekin = 3.5877057744357 | erot = 3.5573517271153 | epot = -20.4275951601311 | etot = -13.2825376585801 -314000 ekin = 3.53954680683471 | erot = 3.68647834911128 | epot = -20.5085628148833 | etot = -13.2825376589373 -315000 ekin = 3.48441731148361 | erot = 3.79616777476463 | epot = -20.5631227454135 | etot = -13.2825376591653 -316000 ekin = 3.42353216211093 | erot = 3.88149414080879 | epot = -20.5875639621498 | etot = -13.2825376592301 -317000 ekin = 3.35845872751516 | erot = 3.93962315501014 | epot = -20.5806195416508 | etot = -13.2825376591255 -318000 ekin = 3.29105546518444 | erot = 3.96997627516161 | epot = -20.5435693992194 | etot = -13.2825376588734 -319000 ekin = 3.22332073202391 | erot = 3.97407140328684 | epot = -20.4799297938271 | etot = -13.2825376585164 -320000 ekin = 3.15718962490207 | erot = 3.95509826666012 | epot = -20.3948255496699 | etot = -13.2825376581077 -321000 ekin = 3.09432530925279 | erot = 3.91739375695147 | epot = -20.2942567238344 | etot = -13.2825376576302 -322000 ekin = 3.03585792728377 | erot = 3.86620572599634 | epot = -20.1846013105925 | etot = -13.2825376573124 -323000 ekin = 2.98241823057018 | erot = 3.80588679425669 | epot = -20.0708426818679 | etot = -13.282537657041 -324000 ekin = 2.93426965651548 | erot = 3.74025042751319 | epot = -19.9570577408469 | etot = -13.2825376568183 -325000 ekin = 2.89141991680272 | erot = 3.6726505878983 | epot = -19.8466081613385 | etot = -13.2825376566375 -326000 ekin = 2.85377350486142 | erot = 3.60592095019319 | epot = -19.7422321115423 | etot = -13.2825376564876 -327000 ekin = 2.82127903351907 | erot = 3.54238718475229 | epot = -19.6462038746294 | etot = -13.2825376563581 -328000 ekin = 2.79404030192089 | erot = 3.483910798784 | epot = -19.5604887570644 | etot = -13.2825376563595 -329000 ekin = 2.77197949436551 | erot = 3.43169110626534 | epot = -19.486208256954 | etot = -13.2825376563232 -330000 ekin = 2.75494613632729 | erot = 3.38614869285078 | epot = -19.4236324854878 | etot = -13.2825376563097 -331000 ekin = 2.74315934444998 | erot = 3.34732307627103 | epot = -19.3730200770432 | etot = -13.2825376563222 -332000 ekin = 2.73688271481008 | erot = 3.31484843372441 | epot = -19.3342688048987 | etot = -13.2825376563643 -333000 ekin = 2.73633973950745 | erot = 3.28798960597169 | epot = -19.3068670019181 | etot = -13.282537656439 -334000 ekin = 2.74163678826561 | erot = 3.26568447791409 | epot = -19.2898589227256 | etot = -13.2825376565459 -335000 ekin = 2.75270974558365 | erot = 3.24660647154557 | epot = -19.2818538738098 | etot = -13.2825376566806 -336000 ekin = 2.76930297431622 | erot = 3.22925893950259 | epot = -19.2810995706514 | etot = -13.2825376568326 -337000 ekin = 2.79098432744022 | erot = 3.21211025351937 | epot = -19.2856322379457 | etot = -13.2825376569861 -338000 ekin = 2.81719266282387 | erot = 3.19377253885662 | epot = -19.2935028588019 | etot = -13.2825376571214 -339000 ekin = 2.84730801445438 | erot = 3.17321131001618 | epot = -19.3030569816885 | etot = -13.2825376572179 -340000 ekin = 2.88072770851284 | erot = 3.14995757252068 | epot = -19.3132229382912 | etot = -13.2825376572577 -341000 ekin = 2.91693042220033 | erot = 3.12427992089905 | epot = -19.3237480003317 | etot = -13.2825376572323 -342000 ekin = 2.95550483676937 | erot = 3.09726362719658 | epot = -19.3353061211112 | etot = -13.2825376571453 -343000 ekin = 2.99612679558118 | erot = 3.07075651726445 | epot = -19.3494209698602 | etot = -13.2825376570146 -344000 ekin = 3.03848111852428 | erot = 3.0471716921407 | epot = -19.3681904675347 | etot = -13.2825376568698 -345000 ekin = 3.08214069495779 | erot = 3.02917600552132 | epot = -19.393854357224 | etot = -13.2825376567449 -346000 ekin = 3.12643023842175 | erot = 3.01932391636737 | epot = -19.428291811462 | etot = -13.2825376566729 -347000 ekin = 3.1703057195056 | erot = 3.01970377198013 | epot = -19.4725471481654 | etot = -13.2825376566797 -348000 ekin = 3.21227615188226 | erot = 3.03164750475832 | epot = -19.5264613134225 | etot = -13.282537656782 -349000 ekin = 3.25037907572041 | erot = 3.05552302028579 | epot = -19.588439752994 | etot = -13.2825376569878 -350000 ekin = 3.28221302801688 | erot = 3.09061207742305 | epot = -19.6553627627352 | etot = -13.2825376572953 -351000 ekin = 3.30503586845653 | erot = 3.13508039752205 | epot = -19.722653923667 | etot = -13.2825376576884 -352000 ekin = 3.31595350171697 | erot = 3.1860592581815 | epot = -19.7845504180322 | etot = -13.2825376581337 -353000 ekin = 3.31222586318731 | erot = 3.23985471046157 | epot = -19.8346182322283 | etot = -13.2825376585794 -354000 ekin = 3.29169173965498 | erot = 3.29228360641323 | epot = -19.8665130050279 | etot = -13.2825376589597 -355000 ekin = 3.25327251247953 | erot = 3.33911881639432 | epot = -19.8749289880785 | etot = -13.2825376592046 -356000 ekin = 3.19745645460831 | erot = 3.37659336434106 | epot = -19.8565874782066 | etot = -13.2825376592572 -357000 ekin = 3.12661218039379 | erot = 3.40186563883957 | epot = -19.8110154783295 | etot = -13.2825376590961 -358000 ekin = 3.04496261886646 | erot = 3.41331336007688 | epot = -19.7408136376943 | etot = -13.2825376587509 -359000 ekin = 2.95811577563298 | erot = 3.41055161315579 | epot = -19.651205047089 | etot = -13.2825376583003 -360000 ekin = 2.87219670777394 | erot = 3.39416675335358 | epot = -19.5489011189766 | etot = -13.2825376578491 -361000 ekin = 2.79279437102874 | erot = 3.36527462495952 | epot = -19.4406066534814 | etot = -13.2825376574932 -362000 ekin = 2.72403411625464 | erot = 3.32507906116156 | epot = -19.3316508347044 | etot = -13.2825376572882 -363000 ekin = 2.66805032239925 | erot = 3.27458936074012 | epot = -19.2251773403758 | etot = -13.2825376572364 -364000 ekin = 2.62498064266495 | erot = 3.21457203232894 | epot = -19.1220903322869 | etot = -13.2825376572931 -365000 ekin = 2.5934133585228 | erot = 3.14571210015836 | epot = -19.0216631160704 | etot = -13.2825376573892 -366000 ekin = 2.5710840161418 | erot = 3.06888690043612 | epot = -18.9225085740357 | etot = -13.2825376574577 -367000 ekin = 2.55558493490964 | erot = 2.98543100060352 | epot = -18.8235535929648 | etot = -13.2825376574517 -368000 ekin = 2.54491188940922 | erot = 2.89729436784059 | epot = -18.7247439146015 | etot = -13.2825376573517 -369000 ekin = 2.53777310784879 | erot = 2.80704690677456 | epot = -18.6273576717881 | etot = -13.2825376571647 -370000 ekin = 2.53338825950404 | erot = 2.71819995751166 | epot = -18.5341258738832 | etot = -13.2825376568675 -371000 ekin = 2.53146597101848 | erot = 2.63443214139472 | epot = -18.4484357690377 | etot = -13.2825376566245 -372000 ekin = 2.53305224681624 | erot = 2.55818112001678 | epot = -18.3737710231761 | etot = -13.2825376563431 -373000 ekin = 2.53983164211236 | erot = 2.49190590621591 | epot = -18.3142752043687 | etot = -13.2825376560405 -374000 ekin = 2.55393613427103 | erot = 2.43803861080081 | epot = -18.2745124008031 | etot = -13.2825376557312 -375000 ekin = 2.57759599288795 | erot = 2.39898190221581 | epot = -18.2591155506451 | etot = -13.2825376555413 -376000 ekin = 2.61177868596817 | erot = 2.37710020071972 | epot = -18.2714165420641 | etot = -13.2825376553762 -377000 ekin = 2.6577874067594 | erot = 2.3735939710949 | epot = -18.3139190331406 | etot = -13.2825376552863 -378000 ekin = 2.71669984604439 | erot = 2.38881656768362 | epot = -18.388054069029 | etot = -13.2825376553009 -379000 ekin = 2.78887075408087 | erot = 2.42222171828648 | epot = -18.4936301278208 | etot = -13.2825376554534 -380000 ekin = 2.87358930471002 | erot = 2.47221119730558 | epot = -18.6283381577863 | etot = -13.2825376557707 -381000 ekin = 2.96878304795802 | erot = 2.53604633164079 | epot = -18.7873670358597 | etot = -13.2825376562609 -382000 ekin = 3.07087981816367 | erot = 2.60989110069411 | epot = -18.9633085757604 | etot = -13.2825376569026 -383000 ekin = 3.17493836101278 | erot = 2.68903209116685 | epot = -19.1465081098178 | etot = -13.2825376576382 -384000 ekin = 3.2751121744025 | erot = 2.76828123033664 | epot = -19.3259310631183 | etot = -13.2825376583791 -385000 ekin = 3.36541347868724 | erot = 2.84251901104316 | epot = -19.4904701487526 | etot = -13.2825376590222 -386000 ekin = 3.44062041949959 | erot = 2.90728609466406 | epot = -19.63044417364 | etot = -13.2825376594764 -387000 ekin = 3.49708416826313 | erot = 2.95929717263878 | epot = -19.7389190005902 | etot = -13.2825376596883 -388000 ekin = 3.533208999321 | erot = 2.99676007578866 | epot = -19.8125067347616 | etot = -13.2825376596519 -389000 ekin = 3.54950477191345 | erot = 3.01944441497972 | epot = -19.8514868462967 | etot = -13.2825376594035 -390000 ekin = 3.54826504042807 | erot = 3.0285237431762 | epot = -19.8593264426073 | etot = -13.282537659003 -391000 ekin = 3.53302701092141 | erot = 3.02626577204824 | epot = -19.8418304414874 | etot = -13.2825376585178 -392000 ekin = 3.50797457908268 | erot = 3.01564117086781 | epot = -19.8061534079633 | etot = -13.2825376580128 -393000 ekin = 3.47739262395814 | erot = 2.99988985775754 | epot = -19.7598201392621 | etot = -13.2825376575465 -394000 ekin = 3.44522282252884 | erot = 2.98206454116459 | epot = -19.7098250208625 | etot = -13.2825376571691 -395000 ekin = 3.41473630917259 | erot = 2.96457892120641 | epot = -19.6618528872984 | etot = -13.2825376569194 -396000 ekin = 3.38832727675762 | erot = 2.94881280953746 | epot = -19.6196777431148 | etot = -13.2825376568197 -397000 ekin = 3.36743033117316 | erot = 2.93484808692962 | epot = -19.5848160749737 | etot = -13.2825376568709 -398000 ekin = 3.35256101408232 | erot = 2.92141113768133 | epot = -19.5565098088131 | etot = -13.2825376570494 -399000 ekin = 3.34346845309996 | erot = 2.90607029857247 | epot = -19.5320764089819 | etot = -13.2825376573095 -400000 ekin = 3.33937255609299 | erot = 2.885680940137 | epot = -19.5075911538209 | etot = -13.2825376575909 -401000 ekin = 3.33924190395778 | erot = 2.85700017339113 | epot = -19.4787797351814 | etot = -13.2825376578325 -402000 ekin = 3.34205998353793 | erot = 2.81733492842804 | epot = -19.4419325699511 | etot = -13.2825376579852 -403000 ekin = 3.34703246955441 | erot = 2.76507190137147 | epot = -19.3946420289475 | etot = -13.2825376580217 -404000 ekin = 3.35370775612875 | erot = 2.69997817544394 | epot = -19.3362235895114 | etot = -13.2825376579387 -405000 ekin = 3.36200495975411 | erot = 2.62323862900913 | epot = -19.267781246516 | etot = -13.2825376577527 -406000 ekin = 3.37216882210917 | erot = 2.53727277109297 | epot = -19.1919792506945 | etot = -13.2825376574923 -407000 ekin = 3.38467286642355 | erot = 2.44541531528468 | epot = -19.1126258388987 | etot = -13.2825376571904 -408000 ekin = 3.40009251679279 | erot = 2.351546289274 | epot = -19.0341764629466 | etot = -13.2825376568798 -409000 ekin = 3.41896361161237 | erot = 2.25973253002234 | epot = -18.9612337982248 | etot = -13.2825376565901 -410000 ekin = 3.44163818667736 | erot = 2.17391337707674 | epot = -18.8980892201012 | etot = -13.2825376563471 -411000 ekin = 3.46814489278439 | erot = 2.0976400383475 | epot = -18.8483225873044 | etot = -13.2825376561725 -412000 ekin = 3.49806473021567 | erot = 2.03386747107442 | epot = -18.8144698573729 | etot = -13.2825376560828 -413000 ekin = 3.53043538014826 | erot = 1.98479597299758 | epot = -18.7977690092345 | etot = -13.2825376560887 -414000 ekin = 3.56370058652801 | erot = 1.95176512736805 | epot = -18.7980033700889 | etot = -13.2825376561928 -415000 ekin = 3.59572274043747 | erot = 1.93521132484302 | epot = -18.8134717216681 | etot = -13.2825376563876 -416000 ekin = 3.62387476619394 | erot = 1.93470676736702 | epot = -18.8411191902142 | etot = -13.2825376566532 -417000 ekin = 3.64521944272596 | erot = 1.94909657754577 | epot = -18.876853677229 | etot = -13.2825376569573 -418000 ekin = 3.65676940727155 | erot = 1.97673635559937 | epot = -18.9160434201296 | etot = -13.2825376572587 -419000 ekin = 3.65580092830723 | erot = 2.01580487492087 | epot = -18.9541434607423 | etot = -13.2825376575142 -420000 ekin = 3.64017400050826 | erot = 2.06463212116893 | epot = -18.9873437793658 | etot = -13.2825376576886 -421000 ekin = 3.60860065288942 | erot = 2.12196023054716 | epot = -19.0130985412 | etot = -13.2825376577634 -422000 ekin = 3.56080810554285 | erot = 2.18705814557018 | epot = -19.0304039088553 | etot = -13.2825376577423 -423000 ekin = 3.49756602993001 | erot = 2.2596475407574 | epot = -19.039751228337 | etot = -13.2825376576496 -424000 ekin = 3.42057977942553 | erot = 2.33965549130008 | epot = -19.0427729282486 | etot = -13.282537657523 -425000 ekin = 3.33228159149848 | erot = 2.42686463918984 | epot = -19.041683888092 | etot = -13.2825376574037 -426000 ekin = 3.23556909606388 | erot = 2.52056283158619 | epot = -19.0386695849753 | etot = -13.2825376573252 -427000 ekin = 3.13354188401699 | erot = 2.61929302170861 | epot = -19.0353725630321 | etot = -13.2825376573065 -428000 ekin = 3.0292759344835 | erot = 2.72077464106008 | epot = -19.0325882328924 | etot = -13.2825376573488 -429000 ekin = 2.92565831326667 | erot = 2.82201873865485 | epot = -19.0302147093596 | etot = -13.2825376574381 -430000 ekin = 2.82528572275417 | erot = 2.91960138007576 | epot = -19.0274247603827 | etot = -13.2825376575528 -431000 ekin = 2.73041359107532 | erot = 3.01000711728769 | epot = -19.022958366036 | etot = -13.282537657673 -432000 ekin = 2.64293211741192 | erot = 3.08992822753868 | epot = -19.0153980027402 | etot = -13.2825376577896 -433000 ekin = 2.5643487123276 | erot = 3.15643021828492 | epot = -19.0033165885172 | etot = -13.2825376579047 -434000 ekin = 2.49577139885518 | erot = 3.20696626802576 | epot = -18.9852753249064 | etot = -13.2825376580255 -435000 ekin = 2.43791477049391 | erot = 3.23932321270836 | epot = -18.9597756413512 | etot = -13.2825376581489 -436000 ekin = 2.39117206292133 | erot = 3.25164920249376 | epot = -18.9253589236643 | etot = -13.2825376582492 -437000 ekin = 2.35579129858705 | erot = 3.242692409158 | epot = -18.8810213660213 | etot = -13.2825376582762 -438000 ekin = 2.33215137598627 | erot = 3.2122573583491 | epot = -18.826946392507 | etot = -13.2825376581716 -439000 ekin = 2.32106357051175 | erot = 3.16171527166972 | epot = -18.7653165000796 | etot = -13.2825376578981 -440000 ekin = 2.32396046468846 | erot = 3.09429994298005 | epot = -18.7007980651343 | etot = -13.2825376574658 -441000 ekin = 2.34282585391516 | erot = 3.01497153468249 | epot = -18.6403350455373 | etot = -13.2825376569397 -442000 ekin = 2.37979980925652 | erot = 2.92981680804517 | epot = -18.5921542737248 | etot = -13.2825376564231 -443000 ekin = 2.4365622855113 | erot = 2.84513622245133 | epot = -18.5642361639992 | etot = -13.2825376560366 -444000 ekin = 2.51342571777129 | erot = 2.76656039612237 | epot = -18.5625237697596 | etot = -13.2825376558659 -445000 ekin = 2.60880718707236 | erot = 2.6982799889581 | epot = -18.5896248319859 | etot = -13.2825376559555 -446000 ekin = 2.71906096767643 | erot = 2.64257205052642 | epot = -18.6441706744995 | etot = -13.2825376562967 -447000 ekin = 2.83874401672722 | erot = 2.59965346897689 | epot = -18.7209351425404 | etot = -13.2825376568363 -448000 ekin = 2.9612677241565 | erot = 2.56781480894371 | epot = -18.8116201905961 | etot = -13.2825376574959 -449000 ekin = 3.07973256248662 | erot = 2.54376856118776 | epot = -18.9060387818648 | etot = -13.2825376581905 -450000 ekin = 3.18773299393503 | erot = 2.52315582293758 | epot = -18.9934264757091 | etot = -13.2825376588364 -451000 ekin = 3.28001368752861 | erot = 2.50120181208454 | epot = -19.063753158962 | etot = -13.2825376593488 -452000 ekin = 3.35296274688896 | erot = 2.47353158346301 | epot = -19.1090319899968 | etot = -13.2825376596448 -453000 ekin = 3.40494017429419 | erot = 2.43707428126018 | epot = -19.1245521152182 | etot = -13.2825376596639 -454000 ekin = 3.4363755140164 | erot = 2.39082250837405 | epot = -19.1097356817938 | etot = -13.2825376594033 -455000 ekin = 3.44952760872581 | erot = 2.33613006950283 | epot = -19.068195337143 | etot = -13.2825376589143 -456000 ekin = 3.44799144671178 | erot = 2.27640153123202 | epot = -19.0069306362517 | etot = -13.2825376583079 -457000 ekin = 3.43601809740561 | erot = 2.21623652991106 | epot = -18.9347922850174 | etot = -13.2825376577007 -458000 ekin = 3.41788845141646 | erot = 2.16036216289489 | epot = -18.8607882714966 | etot = -13.2825376571853 -459000 ekin = 3.3974915193921 | erot = 2.1126853259723 | epot = -18.7927145021792 | etot = -13.2825376568148 -460000 ekin = 3.37812232252278 | erot = 2.07567909161665 | epot = -18.7363390707418 | etot = -13.2825376566024 -461000 ekin = 3.36231617612483 | erot = 2.05042996966781 | epot = -18.6952838023611 | etot = -13.2825376565685 -462000 ekin = 3.3516010060643 | erot = 2.03669678982629 | epot = -18.6708354525495 | etot = -13.2825376566589 -463000 ekin = 3.34749626496556 | erot = 2.03201016323594 | epot = -18.6620440849604 | etot = -13.2825376567589 -464000 ekin = 3.35152548101934 | erot = 2.0337250814521 | epot = -18.6677882192943 | etot = -13.2825376568228 -465000 ekin = 3.36505604034505 | erot = 2.03980035193901 | epot = -18.6873940492497 | etot = -13.2825376569656 -466000 ekin = 3.38750814155039 | erot = 2.04917645650973 | epot = -18.719222255183 | etot = -13.2825376571229 -467000 ekin = 3.4178184653666 | erot = 2.06078922447546 | epot = -18.7611453471486 | etot = -13.2825376573065 -468000 ekin = 3.45442517049901 | erot = 2.07383123666845 | epot = -18.8107940646916 | etot = -13.2825376575242 -469000 ekin = 3.49517146555562 | erot = 2.08763407955549 | epot = -18.865343202886 | etot = -13.2825376577749 -470000 ekin = 3.5375430439129 | erot = 2.10145518357207 | epot = -18.9215358855281 | etot = -13.2825376580432 -471000 ekin = 3.578984874629 | erot = 2.11439735083904 | epot = -18.9759198837616 | etot = -13.2825376582935 -472000 ekin = 3.61725786632456 | erot = 2.12555669055365 | epot = -19.0253522153517 | etot = -13.2825376584735 -473000 ekin = 3.65079380576158 | erot = 2.13440730770354 | epot = -19.067738771992 | etot = -13.2825376585269 -474000 ekin = 3.67897471803071 | erot = 2.14127953357501 | epot = -19.1027919100301 | etot = -13.2825376584244 -475000 ekin = 3.70221628145261 | erot = 2.14765507905023 | epot = -19.1324090186923 | etot = -13.2825376581894 -476000 ekin = 3.72174790903032 | erot = 2.15602304575789 | epot = -19.1603086126886 | etot = -13.2825376579004 -477000 ekin = 3.73912018616774 | erot = 2.16928365663934 | epot = -19.1909415004594 | etot = -13.2825376576523 -478000 ekin = 3.7556510063889 | erot = 2.18999309719236 | epot = -19.2281817610876 | etot = -13.2825376575064 -479000 ekin = 3.77207488928898 | erot = 2.21984602916671 | epot = -19.2744585759238 | etot = -13.2825376574681 -480000 ekin = 3.78851866246641 | erot = 2.25959918548264 | epot = -19.33065550545 | etot = -13.2825376575009 -481000 ekin = 3.80616995061892 | erot = 2.30984659763992 | epot = -19.3985542055291 | etot = -13.2825376572702 -482000 ekin = 3.82906961959312 | erot = 2.37155747933105 | epot = -19.4831647566187 | etot = -13.2825376576945 -483000 ekin = 3.85390461343509 | erot = 2.44250735312729 | epot = -19.5789496246803 | etot = -13.2825376581179 -484000 ekin = 3.87679301499903 | erot = 2.51997841363885 | epot = -19.6793090871881 | etot = -13.2825376585502 -485000 ekin = 3.8941855852142 | erot = 2.60083126184978 | epot = -19.7775545060489 | etot = -13.2825376589849 -486000 ekin = 3.9031377534013 | erot = 2.6813903200239 | epot = -19.8670657328057 | etot = -13.2825376593805 -487000 ekin = 3.90177537850899 | erot = 2.75761792311516 | epot = -19.9419309612876 | etot = -13.2825376596634 -488000 ekin = 3.88986213162243 | erot = 2.82561628023474 | epot = -19.9980160716132 | etot = -13.282537659756 -489000 ekin = 3.86922231453849 | erot = 2.88229752819206 | epot = -20.0340575023505 | etot = -13.2825376596199 -490000 ekin = 3.84371636435388 | erot = 2.92590481083659 | epot = -20.0521588344839 | etot = -13.2825376592934 -491000 ekin = 3.8185829048698 | erot = 2.95607206100703 | epot = -20.0571926247696 | etot = -13.2825376588928 -492000 ekin = 3.79923632244268 | erot = 2.97333279544265 | epot = -20.0551067764526 | etot = -13.2825376585672 -493000 ekin = 3.78992062784017 | erot = 2.97831679174203 | epot = -20.0507750780101 | etot = -13.2825376584279 -494000 ekin = 3.7922931345625 | erot = 2.97052771091745 | epot = -20.0453585079511 | etot = -13.2825376624711 -495000 ekin = 3.79451442394532 | erot = 2.9341072450869 | epot = -20.0111593284224 | etot = -13.2825376593901 -496000 ekin = 3.8106248823664 | erot = 2.88141942472008 | epot = -19.9745819636276 | etot = -13.2825376565411 -497000 ekin = 3.85788186105348 | erot = 2.83372744077321 | epot = -19.9741469603241 | etot = -13.2825376584974 -498000 ekin = 3.9188457938421 | erot = 2.78115548050691 | epot = -19.9825389377102 | etot = -13.2825376633612 -499000 ekin = 3.96315793686508 | erot = 2.7024680648114 | epot = -19.9481636596344 | etot = -13.2825376579579 -500000 ekin = 4.0027205762755 | erot = 2.61046054601125 | epot = -19.8957187797513 | etot = -13.2825376574646 -501000 ekin = 4.04216054275046 | erot = 2.51312796103934 | epot = -19.8378261606956 | etot = -13.2825376569058 -502000 ekin = 4.08330148514098 | erot = 2.4163270430933 | epot = -19.7821661846463 | etot = -13.282537656412 -503000 ekin = 4.12765179374065 | erot = 2.32533692997657 | epot = -19.7355263797907 | etot = -13.2825376560735 -504000 ekin = 4.17571661390275 | erot = 2.24418432885896 | epot = -19.7024385986861 | etot = -13.2825376559244 -505000 ekin = 4.22673456414904 | erot = 2.17536462286828 | epot = -19.6846368429618 | etot = -13.2825376559445 -506000 ekin = 4.27886046445946 | erot = 2.11995169727426 | epot = -19.6813498177143 | etot = -13.2825376559806 -507000 ekin = 4.32989839509928 | erot = 2.07798999628154 | epot = -19.69042604762 | etot = -13.2825376562392 -508000 ekin = 4.37683697458704 | erot = 2.04846223351658 | epot = -19.7078368645412 | etot = -13.2825376564376 -509000 ekin = 4.41701088936698 | erot = 2.03040461252071 | epot = -19.7299531584268 | etot = -13.2825376565391 -510000 ekin = 4.44869291188054 | erot = 2.0233924534507 | epot = -19.7546230218677 | etot = -13.2825376565364 -511000 ekin = 4.47114700663339 | erot = 2.02761863549144 | epot = -19.7813032985736 | etot = -13.2825376564488 -512000 ekin = 4.4844887018835 | erot = 2.0437568785043 | epot = -19.8107832368059 | etot = -13.2825376564181 -513000 ekin = 4.48914630706749 | erot = 2.07205454687191 | epot = -19.843738510293 | etot = -13.2825376563536 -514000 ekin = 4.48557666179243 | erot = 2.11236294794722 | epot = -19.8804772660566 | etot = -13.282537656317 -515000 ekin = 4.47432723706423 | erot = 2.1643658113937 | epot = -19.9212307047863 | etot = -13.2825376563284 -516000 ekin = 4.45582679664873 | erot = 2.22719069336347 | epot = -19.9655551464075 | etot = -13.2825376563953 -517000 ekin = 4.43030463229401 | erot = 2.29935278529871 | epot = -20.0121950741066 | etot = -13.2825376565139 -518000 ekin = 4.39778184135702 | erot = 2.37880116113426 | epot = -20.0591206591638 | etot = -13.2825376566725 -519000 ekin = 4.35811170485674 | erot = 2.46303435402364 | epot = -20.1036837157379 | etot = -13.2825376568575 -520000 ekin = 4.31103971552179 | erot = 2.54924277018193 | epot = -20.14282014276 | etot = -13.2825376570563 -521000 ekin = 4.25625922128732 | erot = 2.63444730369841 | epot = -20.1732441822451 | etot = -13.2825376572594 -522000 ekin = 4.19345339504562 | erot = 2.71562973710461 | epot = -20.1916207896065 | etot = -13.2825376574562 -523000 ekin = 4.12233106590031 | erot = 2.78987661785175 | epot = -20.1947453413846 | etot = -13.2825376576325 -524000 ekin = 4.04267462479128 | erot = 2.85456825313573 | epot = -20.1797805356948 | etot = -13.2825376577678 -525000 ekin = 3.95441508754014 | erot = 2.9076289252841 | epot = -20.14458167066 | etot = -13.2825376578358 -526000 ekin = 3.85773415549987 | erot = 2.94781757722392 | epot = -20.0880893905345 | etot = -13.2825376578107 -527000 ekin = 3.75317337789272 | erot = 2.97499774804953 | epot = -20.0107087836172 | etot = -13.282537657675 -528000 ekin = 3.64171566472863 | erot = 2.99029287547963 | epot = -19.9145462004646 | etot = -13.2825376602563 -529000 ekin = 3.52133457981484 | erot = 2.97329981123796 | epot = -19.777172048072 | etot = -13.2825376570192 -530000 ekin = 3.40524483354409 | erot = 2.93138498576302 | epot = -19.619167471763 | etot = -13.2825376524559 -531000 ekin = 3.31329586023445 | erot = 2.90771179337181 | epot = -19.5035453066036 | etot = -13.2825376529973 -532000 ekin = 3.23028138422137 | erot = 2.91095227687559 | epot = -19.4237713182328 | etot = -13.2825376571358 -533000 ekin = 3.12254472504549 | erot = 2.92159652025206 | epot = -19.3266789030856 | etot = -13.282537657788 -534000 ekin = 3.01044793876856 | erot = 2.93913625615421 | epot = -19.2321218524818 | etot = -13.282537657559 -535000 ekin = 2.90665974197478 | erot = 2.96765394780088 | epot = -19.1568513472188 | etot = -13.2825376574432 -536000 ekin = 2.81267447142782 | erot = 3.00750648803519 | epot = -19.1027186169117 | etot = -13.2825376574487 -537000 ekin = 2.72954271623794 | erot = 3.05761918513524 | epot = -19.0696995589458 | etot = -13.2825376575726 -538000 ekin = 2.65787075122818 | erot = 3.11553336281627 | epot = -19.0559417718444 | etot = -13.2825376577999 -539000 ekin = 2.59787048049233 | erot = 3.17759265898484 | epot = -19.0580007975803 | etot = -13.2825376581031 -540000 ekin = 2.54945648890107 | erot = 3.23927692413161 | epot = -19.0712710714752 | etot = -13.2825376584425 -541000 ekin = 2.512378643395 | erot = 3.29568121876202 | epot = -19.0905975209266 | etot = -13.2825376587696 -542000 ekin = 2.48636877597141 | erot = 3.34210880592089 | epot = -19.1110152409261 | etot = -13.2825376590338 -543000 ekin = 2.4712699055648 | erot = 3.3747065125272 | epot = -19.1285140772836 | etot = -13.2825376591916 -544000 ekin = 2.46711428276816 | erot = 3.3910375894335 | epot = -19.1406895314189 | etot = -13.2825376592173 -545000 ekin = 2.4741173500058 | erot = 3.39046709618852 | epot = -19.1471221053056 | etot = -13.2825376591113 -546000 ekin = 2.49256786330789 | erot = 3.37425739408745 | epot = -19.1493629162983 | etot = -13.282537658903 -547000 ekin = 2.52261985355472 | erot = 3.34533431811562 | epot = -19.1504918303153 | etot = -13.282537658645 -548000 ekin = 2.5640229402261 | erot = 3.30777050325775 | epot = -19.1543311018841 | etot = -13.2825376584002 -549000 ekin = 2.61585467172264 | erot = 3.26610888708834 | epot = -19.1645012170377 | etot = -13.2825376582267 -550000 ekin = 2.67632806501996 | erot = 3.22468583528343 | epot = -19.1835515584667 | etot = -13.2825376581633 -551000 ekin = 2.74273542047637 | erot = 3.18709627675594 | epot = -19.2123693554546 | etot = -13.2825376582223 -552000 ekin = 2.81155537633479 | erot = 3.155885283811 | epot = -19.2499783185357 | etot = -13.2825376583899 -553000 ekin = 2.87870715456128 | erot = 3.13247774360817 | epot = -19.2937225568035 | etot = -13.2825376586341 -554000 ekin = 2.93989960588701 | erot = 3.11729757853042 | epot = -19.3397348433313 | etot = -13.2825376589139 -555000 ekin = 2.99100571713598 | erot = 3.10999728881064 | epot = -19.3835406651366 | etot = -13.2825376591899 -556000 ekin = 3.02839929468956 | erot = 3.10971957917588 | epot = -19.4206565332962 | etot = -13.2825376594307 -557000 ekin = 3.04921300214246 | erot = 3.11533545055142 | epot = -19.4470861123087 | etot = -13.2825376596148 -558000 ekin = 3.05150347330348 | erot = 3.12563190762297 | epot = -19.4596730406569 | etot = -13.2825376597304 -559000 ekin = 3.03432873631885 | erot = 3.13944482423083 | epot = -19.456311220323 | etot = -13.2825376597733 -560000 ekin = 2.9977526924766 | erot = 3.15574356337998 | epot = -19.4360339156024 | etot = -13.2825376597459 -561000 ekin = 2.9427917179436 | erot = 3.17367577833455 | epot = -19.3990051559327 | etot = -13.2825376596546 -562000 ekin = 2.87131567491266 | erot = 3.19257954673888 | epot = -19.3464328811612 | etot = -13.2825376595096 -563000 ekin = 2.78591370477051 | erot = 3.2119692901947 | epot = -19.2804206542887 | etot = -13.2825376593235 -564000 ekin = 2.6897353367659 | erot = 3.23150302487196 | epot = -19.2037760207478 | etot = -13.28253765911 -565000 ekin = 2.58631900803989 | erot = 3.25094003294576 | epot = -19.1197966998677 | etot = -13.282537658882 -566000 ekin = 2.47942134877151 | erot = 3.27009788587128 | epot = -19.0320568932949 | etot = -13.2825376586521 -567000 ekin = 2.37285930824791 | erot = 3.28881390752303 | epot = -18.9442108742005 | etot = -13.2825376584296 -568000 ekin = 2.2703747720392 | erot = 3.30691420257032 | epot = -18.8598266328315 | etot = -13.282537658222 -569000 ekin = 2.17552646994053 | erot = 3.32418852070003 | epot = -18.7822526486758 | etot = -13.2825376580353 -570000 ekin = 2.09160717358308 | erot = 3.34036686780938 | epot = -18.7145116992668 | etot = -13.2825376578743 -571000 ekin = 2.02157831416758 | erot = 3.35509336873546 | epot = -18.659209340647 | etot = -13.282537657744 -572000 ekin = 1.96800973251089 | erot = 3.36789498998737 | epot = -18.6184423801492 | etot = -13.2825376576509 -573000 ekin = 1.93301131087701 | erot = 3.37814685793009 | epot = -18.5936958264095 | etot = -13.2825376576024 -574000 ekin = 1.91814454492506 | erot = 3.38504063674726 | epot = -18.5857228392799 | etot = -13.2825376576076 -575000 ekin = 1.92430832574408 | erot = 3.38756624559013 | epot = -18.5944122290096 | etot = -13.2825376576754 -576000 ekin = 1.95160447468999 | erot = 3.38452119824164 | epot = -18.6186633307441 | etot = -13.2825376578125 -577000 ekin = 1.99920036892949 | erot = 3.37456184630709 | epot = -18.6562998732574 | etot = -13.2825376580208 -578000 ekin = 2.06522335781187 | erot = 3.35630974832182 | epot = -18.7040707644253 | etot = -13.2825376582916 -579000 ekin = 2.14673519283674 | erot = 3.32851940880933 | epot = -18.7577922602508 | etot = -13.2825376586048 -580000 ekin = 2.23983758246226 | erot = 3.29029959752555 | epot = -18.8126748389145 | etot = -13.2825376589267 -581000 ekin = 2.33993889926474 | erot = 3.2413588197994 | epot = -18.8638353782784 | etot = -13.2825376592143 -582000 ekin = 2.44216781902051 | erot = 3.18222403798945 | epot = -18.9069295164348 | etot = -13.2825376594248 -583000 ekin = 2.54186285338444 | erot = 3.11436905975195 | epot = -18.938769572664 | etot = -13.2825376595277 -584000 ekin = 2.63514321918155 | erot = 3.04016994421133 | epot = -18.9578508227089 | etot = -13.282537659316 -585000 ekin = 2.72038124549456 | erot = 2.96231486727155 | epot = -18.9652337720477 | etot = -13.2825376592816 -586000 ekin = 2.79529742079441 | erot = 2.88397447344912 | epot = -18.9618095534158 | etot = -13.2825376591723 -587000 ekin = 2.85803030913321 | erot = 2.80849541230731 | epot = -18.9490633804616 | etot = -13.2825376590211 -588000 ekin = 2.90761924156872 | erot = 2.73897208360503 | epot = -18.9291289840339 | etot = -13.2825376588602 -589000 ekin = 2.94382190770487 | erot = 2.67796026301525 | epot = -18.9043198294349 | etot = -13.2825376587148 -590000 ekin = 2.96693832518588 | erot = 2.62724420195739 | epot = -18.8767201857421 | etot = -13.2825376585988 -591000 ekin = 2.97766737843971 | erot = 2.58778349306991 | epot = -18.8479885300284 | etot = -13.2825376585188 -592000 ekin = 2.97699718658878 | erot = 2.55971358410891 | epot = -18.8192484291735 | etot = -13.2825376584758 -593000 ekin = 2.96611919165746 | erot = 2.54241252023367 | epot = -18.7910693703577 | etot = -13.2825376584665 -594000 ekin = 2.94635665291053 | erot = 2.53461934099529 | epot = -18.7635136523902 | etot = -13.2825376584844 -595000 ekin = 2.9190856971103 | erot = 2.53443482987529 | epot = -18.7360581856667 | etot = -13.2825376586811 -596000 ekin = 2.8853504738233 | erot = 2.53857982681691 | epot = -18.706467959401 | etot = -13.2825376587608 -597000 ekin = 2.84590859896362 | erot = 2.54482361730832 | epot = -18.6732698750819 | etot = -13.28253765881 -598000 ekin = 2.80153060630531 | erot = 2.55163242417959 | epot = -18.6357006893061 | etot = -13.2825376588212 -599000 ekin = 2.75300405719548 | erot = 2.55803363008721 | epot = -18.5935753460782 | etot = -13.2825376587955 -600000 ekin = 2.70110632481711 | erot = 2.56364667646595 | epot = -18.5472906600206 | etot = -13.2825376587375 -601000 ekin = 2.64657369871742 | erot = 2.56865533018097 | epot = -18.4977666875493 | etot = -13.2825376586509 -602000 ekin = 2.59009198472601 | erot = 2.57375726191876 | epot = -18.4463869051824 | etot = -13.2825376585376 -603000 ekin = 2.53231053373895 | erot = 2.58010020264817 | epot = -18.394948394788 | etot = -13.2825376584008 -604000 ekin = 2.47386381072251 | erot = 2.58919184014772 | epot = -18.3455933091172 | etot = -13.282537658247 -605000 ekin = 2.41538802270495 | erot = 2.60277705143637 | epot = -18.300702732226 | etot = -13.2825376580847 -606000 ekin = 2.35753010244784 | erot = 2.62269152367331 | epot = -18.2627592840455 | etot = -13.2825376579243 -607000 ekin = 2.30095094648108 | erot = 2.65066096469453 | epot = -18.2341495689615 | etot = -13.2825376577859 -608000 ekin = 2.24632550981926 | erot = 2.68812711797909 | epot = -18.2169902854641 | etot = -13.2825376576658 -609000 ekin = 2.19433984205684 | erot = 2.73619296831783 | epot = -18.2130704679521 | etot = -13.2825376575774 -610000 ekin = 2.14568734116616 | erot = 2.7954628779701 | epot = -18.2236878766643 | etot = -13.2825376575281 -611000 ekin = 2.10106577312396 | erot = 2.8659456974561 | epot = -18.2495491281024 | etot = -13.2825376575223 -612000 ekin = 2.06117569763992 | erot = 2.9469880537389 | epot = -18.2907014089413 | etot = -13.2825376575624 -613000 ekin = 2.02671979094169 | erot = 3.03724338411132 | epot = -18.3465008327016 | etot = -13.2825376576486 -614000 ekin = 1.99840061160405 | erot = 3.13468327208026 | epot = -18.415621541462 | etot = -13.2825376577777 -615000 ekin = 1.97691265350076 | erot = 3.23665756946818 | epot = -18.4961078809123 | etot = -13.2825376579434 -616000 ekin = 1.96292427456966 | erot = 3.34000833576273 | epot = -18.58547026847 | etot = -13.2825376581376 -617000 ekin = 1.95704706954419 | erot = 3.4412390414853 | epot = -18.680823769378 | etot = -13.2825376583485 -618000 ekin = 1.95979426061707 | erot = 3.53673433570056 | epot = -18.7790662548804 | etot = -13.2825376585628 -619000 ekin = 1.97153436735861 | erot = 3.62301686059867 | epot = -18.8770888867224 | etot = -13.2825376587651 -620000 ekin = 1.99244950083126 | erot = 3.69701656993236 | epot = -18.9720037297043 | etot = -13.2825376589407 -621000 ekin = 2.02250680811196 | erot = 3.75631711882421 | epot = -19.0613615860136 | etot = -13.2825376590775 -622000 ekin = 2.06144629220648 | erot = 3.7993379752723 | epot = -19.1433219266483 | etot = -13.2825376591695 -623000 ekin = 2.10878075940092 | erot = 3.82541513939284 | epot = -19.216733558012 | etot = -13.2825376592183 -624000 ekin = 2.16379839198576 | erot = 3.83475982186747 | epot = -19.2810958730871 | etot = -13.2825376592339 -625000 ekin = 2.22555932782583 | erot = 3.82830035125848 | epot = -19.3363973383166 | etot = -13.2825376592323 -626000 ekin = 2.29288544260848 | erot = 3.80744110347782 | epot = -19.3828642053181 | etot = -13.2825376592318 -627000 ekin = 2.36435394305829 | erot = 3.77379464741738 | epot = -19.4206862497219 | etot = -13.2825376592462 -628000 ekin = 2.43831432674405 | erot = 3.72895154257647 | epot = -19.4498035286011 | etot = -13.2825376592806 -629000 ekin = 2.5129489794456 | erot = 3.67434156158729 | epot = -19.4698282003614 | etot = -13.2825376593285 -630000 ekin = 2.58638771765141 | erot = 3.61121141784532 | epot = -19.4801367948702 | etot = -13.2825376593735 -631000 ekin = 2.65686759984465 | erot = 3.54070434322503 | epot = -19.4801096088593 | etot = -13.2825376657897 -632000 ekin = 2.72291190263409 | erot = 3.46399577717246 | epot = -19.4694453501734 | etot = -13.2825376703668 -633000 ekin = 2.78348672611247 | erot = 3.38241264800352 | epot = -19.4484370444086 | etot = -13.2825376702926 -634000 ekin = 2.83810143013786 | erot = 3.29749507668476 | epot = -19.4181341769904 | etot = -13.2825376701678 -635000 ekin = 2.88683118402529 | erot = 3.21096793801688 | epot = -19.3803367920453 | etot = -13.2825376700031 -636000 ekin = 2.93026618630813 | erot = 3.12465298496839 | epot = -19.3374568410897 | etot = -13.2825376698132 -637000 ekin = 2.96941056885858 | erot = 3.0403692465718 | epot = -19.2923174850405 | etot = -13.2825376696101 -638000 ekin = 3.00556169693335 | erot = 2.95987410217697 | epot = -19.2479734685112 | etot = -13.2825376694009 -639000 ekin = 3.04019340865286 | erot = 2.88486846877298 | epot = -19.2075995466134 | etot = -13.2825376691875 -640000 ekin = 3.07485121524287 | erot = 2.81704601028373 | epot = -19.1744348944991 | etot = -13.2825376689725 -641000 ekin = 3.11105408028794 | erot = 2.75813097963992 | epot = -19.1517227286916 | etot = -13.2825376687637 -642000 ekin = 3.15019312328036 | erot = 2.7098440548544 | epot = -19.1425748467125 | etot = -13.2825376685778 -643000 ekin = 3.19342381264373 | erot = 2.67376399477657 | epot = -19.149725475858 | etot = -13.2825376684377 -644000 ekin = 3.2415588207624 | erot = 2.65109893593325 | epot = -19.1751954250647 | etot = -13.282537668369 -645000 ekin = 3.29497575523204 | erot = 2.64241916696914 | epot = -19.2199325905945 | etot = -13.2825376683933 -646000 ekin = 3.35355393407658 | erot = 2.64741690321924 | epot = -19.2835085058203 | etot = -13.2825376685245 -647000 ekin = 3.41664956861565 | erot = 2.66474995394752 | epot = -19.3639371913281 | etot = -13.2825376687649 -648000 ekin = 3.4831141060628 | erot = 2.69200913896267 | epot = -19.4576609141298 | etot = -13.2825376691043 -649000 ekin = 3.55135925694529 | erot = 2.72583530732997 | epot = -19.5597322337925 | etot = -13.2825376695172 -650000 ekin = 3.61947301797377 | erot = 2.76220049491276 | epot = -19.6642111828496 | etot = -13.2825376699631 -651000 ekin = 3.68538880274457 | erot = 2.79684816347516 | epot = -19.764774636609 | etot = -13.2825376703893 -652000 ekin = 3.74709908730354 | erot = 2.82584894414238 | epot = -19.8554857021858 | etot = -13.2825376707399 -653000 ekin = 3.80288488877091 | erot = 2.84617490646358 | epot = -19.9315974662018 | etot = -13.2825376709673 -654000 ekin = 3.85151192347428 | erot = 2.85615319330961 | epot = -19.9902027878321 | etot = -13.2825376710482 -655000 ekin = 3.89233743675784 | erot = 2.85566240366418 | epot = -20.0305375114124 | etot = -13.2825376709904 -656000 ekin = 3.92529306042297 | erot = 2.84600373605249 | epot = -20.0538344673054 | etot = -13.2825376708299 -657000 ekin = 3.9507492437021 | erot = 2.82948452039627 | epot = -20.0627714347188 | etot = -13.2825376706204 -658000 ekin = 3.96930448522689 | erot = 2.80884105011381 | epot = -20.0606832057567 | etot = -13.282537670416 -659000 ekin = 3.98156254976232 | erot = 2.78666073057887 | epot = -20.0507609506005 | etot = -13.2825376702593 -660000 ekin = 3.98794995381879 | erot = 2.76493225942124 | epot = -20.0354198834157 | etot = -13.2825376701757 -661000 ekin = 3.98860416113611 | erot = 2.74479055428647 | epot = -20.0159323855936 | etot = -13.282537670171 -662000 ekin = 3.98333736211109 | erot = 2.72646306735502 | epot = -19.9923380997025 | etot = -13.2825376702364 -663000 ekin = 3.9716619686291 | erot = 2.70938404532074 | epot = -19.9635836843021 | etot = -13.2825376703522 -664000 ekin = 3.95286211458908 | erot = 2.69242500163181 | epot = -19.9278247867134 | etot = -13.2825376704925 -665000 ekin = 3.92609780975317 | erot = 2.67418491171735 | epot = -19.8828203921001 | etot = -13.2825376706295 -666000 ekin = 3.89053574202168 | erot = 2.65328635574181 | epot = -19.8263597684999 | etot = -13.2825376707365 -667000 ekin = 3.84550518468516 | erot = 2.62863029044506 | epot = -19.7566731459204 | etot = -13.2825376707901 -668000 ekin = 3.79067534879777 | erot = 2.59957256262197 | epot = -19.6727855821932 | etot = -13.2825376707734 -669000 ekin = 3.72624194861737 | erot = 2.56600183381133 | epot = -19.5747814531047 | etot = -13.282537670676 -670000 ekin = 3.65309967705475 | erot = 2.52832169427011 | epot = -19.4639590418208 | etot = -13.282537670496 -671000 ekin = 3.57296811018949 | erot = 2.48736383191286 | epot = -19.3428696123407 | etot = -13.2825376702383 -672000 ekin = 3.48843263531181 | erot = 2.44427271264344 | epot = -19.2152430178709 | etot = -13.2825376699157 -673000 ekin = 3.40286035229605 | erot = 2.40039617767075 | epot = -19.0857941995173 | etot = -13.2825376695505 -674000 ekin = 3.32015657280881 | erot = 2.35719425457316 | epot = -18.9598884965573 | etot = -13.2825376691753 -675000 ekin = 3.24436019808196 | erot = 2.31615841412129 | epot = -18.8430562810334 | etot = -13.2825376688302 -676000 ekin = 3.17913583606399 | erot = 2.27873161512438 | epot = -18.740405119743 | etot = -13.2825376685547 -677000 ekin = 3.12743284479367 | erot = 2.24616920610074 | epot = -18.6561397192095 | etot = -13.2825376683151 -678000 ekin = 3.09116321204123 | erot = 2.21938913067767 | epot = -18.5930900109928 | etot = -13.2825376682739 -679000 ekin = 3.06996492217903 | erot = 2.19955802308988 | epot = -18.5520606135526 | etot = -13.2825376682837 -680000 ekin = 3.06282540105824 | erot = 2.18767057709701 | epot = -18.5330336464769 | etot = -13.2825376683217 -681000 ekin = 3.06856941759266 | erot = 2.18446333304883 | epot = -18.5355704190133 | etot = -13.2825376683718 -682000 ekin = 3.08614503868821 | erot = 2.19031007375325 | epot = -18.5589927809047 | etot = -13.2825376684632 -683000 ekin = 3.11401676517912 | erot = 2.20483123961229 | epot = -18.6013856734681 | etot = -13.2825376686767 -684000 ekin = 3.1499497049718 | erot = 2.22703766523478 | epot = -18.6595250391781 | etot = -13.2825376689715 -685000 ekin = 3.1913881729591 | erot = 2.25525783713242 | epot = -18.7291836794166 | etot = -13.2825376693251 -686000 ekin = 3.2355359736388 | erot = 2.28721755220356 | epot = -18.8052911955454 | etot = -13.282537669703 -687000 ekin = 3.27958856790023 | erot = 2.32030038563959 | epot = -18.8824266236037 | etot = -13.2825376700639 -688000 ekin = 3.32103493725068 | erot = 2.35186996598866 | epot = -18.9554425735995 | etot = -13.2825376703601 -689000 ekin = 3.35799818039315 | erot = 2.37963585732459 | epot = -19.0201717082656 | etot = -13.2825376705479 -690000 ekin = 3.38953188177024 | erot = 2.40199807238457 | epot = -19.0740676247556 | etot = -13.2825376706008 -691000 ekin = 3.41577144695012 | erot = 2.41828305275593 | epot = -19.1165921702244 | etot = -13.2825376705183 -692000 ekin = 3.43789562336026 | erot = 2.42879295705483 | epot = -19.1492262507455 | etot = -13.2825376703304 -693000 ekin = 3.45784949823494 | erot = 2.43469159318125 | epot = -19.1750787614971 | etot = -13.2825376700809 -694000 ekin = 3.47795427967228 | erot = 2.43774070868771 | epot = -19.1982326581791 | etot = -13.2825376698191 -695000 ekin = 3.50053093039143 | erot = 2.43997131609287 | epot = -19.2230399160667 | etot = -13.2825376695824 -696000 ekin = 3.52761050730188 | erot = 2.44340337549972 | epot = -19.253551552192 | etot = -13.2825376693904 -697000 ekin = 3.56079077322806 | erot = 2.44986396554409 | epot = -19.2931924080192 | etot = -13.2825376692471 -698000 ekin = 3.60121696147359 | erot = 2.46089758486526 | epot = -19.3446522154888 | etot = -13.28253766915 -699000 ekin = 3.6496121327901 | erot = 2.47770733427071 | epot = -19.4098571361639 | etot = -13.2825376691031 -700000 ekin = 3.70626748084333 | erot = 2.50104915957359 | epot = -19.4898543095415 | etot = -13.2825376691246 -701000 ekin = 3.77093513695816 | erot = 2.53103621287959 | epot = -19.5845090190825 | etot = -13.2825376692448 -702000 ekin = 3.84262768940034 | erot = 2.56687733849262 | epot = -19.6920426973887 | etot = -13.2825376694958 -703000 ekin = 3.91940034762304 | erot = 2.60664110638312 | epot = -19.8085791238994 | etot = -13.2825376698933 -704000 ekin = 3.9982358547303 | erot = 2.64716826817973 | epot = -19.9279417933333 | etot = -13.2825376704233 -705000 ekin = 4.07514464413495 | erot = 2.68423896184971 | epot = -20.0419212770165 | etot = -13.2825376710318 -706000 ekin = 4.14554203036507 | erot = 2.71304391273882 | epot = -20.1411236147333 | etot = -13.2825376716295 -707000 ekin = 4.20487575193823 | erot = 2.7289253372954 | epot = -20.2163387613403 | etot = -13.2825376721067 -708000 ekin = 4.24938283126873 | erot = 2.72825870746495 | epot = -20.2601792110953 | etot = -13.2825376723616 -709000 ekin = 4.27678612885237 | erot = 2.70926619644947 | epot = -20.2685899976319 | etot = -13.2825376723301 -710000 ekin = 4.28673081641948 | erot = 2.67252621890016 | epot = -20.2417947073265 | etot = -13.2825376720069 -711000 ekin = 4.28082322623417 | erot = 2.6210105179504 | epot = -20.1843714156341 | etot = -13.2825376714495 -712000 ekin = 4.26225868779622 | erot = 2.55962600082617 | epot = -20.104422359382 | etot = -13.2825376707596 -713000 ekin = 4.23515498224752 | erot = 2.49440280552867 | epot = -20.0120954578281 | etot = -13.2825376700519 -714000 ekin = 4.20378550523481 | erot = 2.43156567582597 | epot = -19.9178888504867 | etot = -13.282537669426 -715000 ekin = 4.17190188735528 | erot = 2.37671476689976 | epot = -19.8311543232044 | etot = -13.2825376689494 -716000 ekin = 4.14226649350958 | erot = 2.33425236976786 | epot = -19.7590565319311 | etot = -13.2825376686537 -717000 ekin = 4.11642945246045 | erot = 2.30708700174596 | epot = -19.7060541227473 | etot = -13.2825376685409 -718000 ekin = 4.09471959167245 | erot = 2.29657561669689 | epot = -19.6738328769614 | etot = -13.282537668592 -719000 ekin = 4.07639008593528 | erot = 2.30263774998752 | epot = -19.6615655046985 | etot = -13.2825376687757 -720000 ekin = 4.05985922917437 | erot = 2.32397934764256 | epot = -19.666376245872 | etot = -13.2825376690551 -721000 ekin = 4.04299880694437 | erot = 2.35837721352838 | epot = -19.6839136898621 | etot = -13.2825376693893 -722000 ekin = 4.02343688316733 | erot = 2.40299878609526 | epot = -19.7089733390043 | etot = -13.2825376697417 -723000 ekin = 3.99884065344427 | erot = 2.45471133767174 | epot = -19.7360896611947 | etot = -13.2825376700787 -724000 ekin = 3.96717167902435 | erot = 2.51036796126059 | epot = -19.7600773106559 | etot = -13.282537670371 -725000 ekin = 3.92690441967245 | erot = 2.56705586836098 | epot = -19.7764979586269 | etot = -13.2825376705935 -726000 ekin = 3.87729637976355 | erot = 2.62227216901714 | epot = -19.7821062194414 | etot = -13.2825376706607 -727000 ekin = 3.8190968772367 | erot = 2.6738940465784 | epot = -19.7755285945079 | etot = -13.2825376706928 -728000 ekin = 3.75316507804633 | erot = 2.72096436119536 | epot = -19.7566671098349 | etot = -13.2825376705932 -729000 ekin = 3.68121241124607 | erot = 2.76353487071615 | epot = -19.7272849523289 | etot = -13.2825376703667 -730000 ekin = 3.60595083273131 | erot = 2.80255656445165 | epot = -19.6910450672214 | etot = -13.2825376700385 -731000 ekin = 3.53083585767324 | erot = 2.83972569859397 | epot = -19.653099225923 | etot = -13.2825376696558 -732000 ekin = 3.45966885133349 | erot = 2.87715368835778 | epot = -19.6193602089738 | etot = -13.2825376692825 -733000 ekin = 3.39612153666075 | erot = 2.91688280104916 | epot = -19.5955420066965 | etot = -13.2825376689866 -734000 ekin = 3.34327992468431 | erot = 2.96033658922183 | epot = -19.5861541827305 | etot = -13.2825376688244 -735000 ekin = 3.3033011289436 | erot = 3.00783596111042 | epot = -19.5936747588816 | etot = -13.2825376688276 -736000 ekin = 3.27724072963395 | erot = 3.05831043253752 | epot = -19.6180888311677 | etot = -13.2825376689963 -737000 ekin = 3.26506253896415 | erot = 3.10929392283416 | epot = -19.656894131098 | etot = -13.2825376692997 -738000 ekin = 3.26580566526871 | erot = 3.15723003734976 | epot = -19.7055733723001 | etot = -13.2825376696816 -739000 ekin = 3.27786090586245 | erot = 3.19803615726929 | epot = -19.7584347332053 | etot = -13.2825376700736 -740000 ekin = 3.29929519803613 | erot = 3.22780296867189 | epot = -19.8096358371181 | etot = -13.2825376704101 -741000 ekin = 3.3281598026641 | erot = 3.2434576850098 | epot = -19.8541551583189 | etot = -13.282537670645 -742000 ekin = 3.36272243969023 | erot = 3.24322419612484 | epot = -19.8884843065754 | etot = -13.2825376707603 -743000 ekin = 3.40154954265053 | erot = 3.22659635037975 | epot = -19.91068356386 | etot = -13.2825376708298 -744000 ekin = 3.44355690162401 | erot = 3.19405338784643 | epot = -19.9201479602064 | etot = -13.282537670736 -745000 ekin = 3.48810285817397 | erot = 3.14763432802534 | epot = -19.9182748567946 | etot = -13.2825376705953 -746000 ekin = 3.53467364484348 | erot = 3.09004249682931 | epot = -19.9072538121143 | etot = -13.2825376704415 -747000 ekin = 3.58273489719928 | erot = 3.02422947593768 | epot = -19.8895020434333 | etot = -13.2825376702963 -748000 ekin = 3.63163431992952 | erot = 2.95313859310771 | epot = -19.8673105832079 | etot = -13.2825376701706 -749000 ekin = 3.68055410773111 | erot = 2.87956450535935 | epot = -19.8426562831586 | etot = -13.2825376700682 -750000 ekin = 3.7285026487858 | erot = 2.80607481969708 | epot = -19.8171151384766 | etot = -13.2825376699938 -751000 ekin = 3.77431992736046 | erot = 2.73492674316789 | epot = -19.7917843404859 | etot = -13.2825376699576 -752000 ekin = 3.81667135032658 | erot = 2.66792933662307 | epot = -19.7671383569269 | etot = -13.2825376699773 -753000 ekin = 3.85401538818531 | erot = 2.6062395161429 | epot = -19.7427925744031 | etot = -13.2825376700749 -754000 ekin = 3.88455267934887 | erot = 2.5501327302614 | epot = -19.7172230798774 | etot = -13.2825376702671 -755000 ekin = 3.90620090059213 | erot = 2.49884999016135 | epot = -19.6875885613011 | etot = -13.2825376705476 -756000 ekin = 3.91710462659123 | erot = 2.4506960000184 | epot = -19.6503382971539 | etot = -13.2825376705443 -757000 ekin = 3.91725792025721 | erot = 2.40369183428835 | epot = -19.6034874252691 | etot = -13.2825376707236 -758000 ekin = 3.90622854864869 | erot = 2.35617894285865 | epot = -19.5449451622686 | etot = -13.2825376707613 -759000 ekin = 3.88450313649421 | erot = 2.307511853008 | epot = -19.47455266009 | etot = -13.2825376705877 -760000 ekin = 3.85399004377457 | erot = 2.25863561784068 | epot = -19.3951633318159 | etot = -13.2825376702006 -761000 ekin = 3.81799666982234 | erot = 2.2120898004713 | epot = -19.3126241399677 | etot = -13.2825376696741 -762000 ekin = 3.78022631318949 | erot = 2.17128933431168 | epot = -19.2340533167231 | etot = -13.2825376692219 -763000 ekin = 3.73661802519724 | erot = 2.13809664148039 | epot = -19.157252335609 | etot = -13.2825376689313 -764000 ekin = 3.68660767297181 | erot = 2.11458113784821 | epot = -19.0837264795458 | etot = -13.2825376687258 -765000 ekin = 3.63152213040114 | erot = 2.10258243850245 | epot = -19.016642237515 | etot = -13.2825376686114 -766000 ekin = 3.57217194872271 | erot = 2.10319364759271 | epot = -18.9579032648383 | etot = -13.2825376685229 -767000 ekin = 3.50915043230235 | erot = 2.11696161070464 | epot = -18.9086497115248 | etot = -13.2825376685178 -768000 ekin = 3.44287730029771 | erot = 2.14384189418764 | epot = -18.8692568629801 | etot = -13.2825376684947 -769000 ekin = 3.3740781166784 | erot = 2.18352203430037 | epot = -18.8401378194259 | etot = -13.2825376684472 -770000 ekin = 3.3040269110262 | erot = 2.2354469932855 | epot = -18.8220115726952 | etot = -13.2825376683835 -771000 ekin = 3.23454927903731 | erot = 2.29870117920211 | epot = -18.8157881266126 | etot = -13.2825376683732 -772000 ekin = 3.16778213081256 | erot = 2.37165603566442 | epot = -18.8219758348544 | etot = -13.2825376683774 -773000 ekin = 3.10585178824851 | erot = 2.45189360020004 | epot = -18.840283056865 | etot = -13.2825376684165 -774000 ekin = 3.05132445362518 | erot = 2.53742495789156 | epot = -18.8712870797731 | etot = -13.2825376682564 -775000 ekin = 3.00630147843012 | erot = 2.62609752200496 | epot = -18.9149366688542 | etot = -13.2825376684191 -776000 ekin = 2.97144443263784 | erot = 2.71477730985204 | epot = -18.9687594110596 | etot = -13.2825376685697 -777000 ekin = 2.94698171101505 | erot = 2.80100976982407 | epot = -19.0305291495095 | etot = -13.2825376686704 -778000 ekin = 2.93288277550281 | erot = 2.8833938872999 | epot = -19.0988143314864 | etot = -13.2825376686837 -779000 ekin = 2.9291073028875 | erot = 2.9618300279754 | epot = -19.1734749994569 | etot = -13.282537668594 -780000 ekin = 2.93579388567472 | erot = 3.03750518021137 | epot = -19.2558367343112 | etot = -13.2825376684251 -781000 ekin = 2.95325630949646 | erot = 3.11251463626943 | epot = -19.3483086140044 | etot = -13.2825376682385 -782000 ekin = 2.98176618547441 | erot = 3.189171361001 | epot = -19.4534752145867 | etot = -13.2825376681113 -783000 ekin = 3.02122758219725 | erot = 3.26921648812991 | epot = -19.5729817384327 | etot = -13.2825376681056 -784000 ekin = 3.07089714794778 | erot = 3.35319620066463 | epot = -19.7066310168605 | etot = -13.2825376682481 -785000 ekin = 3.12925653033684 | erot = 3.44018487512351 | epot = -19.8519790739888 | etot = -13.2825376685285 -786000 ekin = 3.19405797125228 | erot = 3.52788200321648 | epot = -20.0044776433779 | etot = -13.2825376689092 -787000 ekin = 3.26249776188156 | erot = 3.61297785906092 | epot = -20.1580132902857 | etot = -13.2825376693433 -788000 ekin = 3.33144967160353 | erot = 3.69161943951225 | epot = -20.305606780904 | etot = -13.2825376697883 -789000 ekin = 3.39770556173349 | erot = 3.75982531205833 | epot = -20.4400685440038 | etot = -13.282537670212 -790000 ekin = 3.45820395551511 | erot = 3.81377941395818 | epot = -20.5545210400615 | etot = -13.2825376705882 -791000 ekin = 3.51015148125463 | erot = 3.85000835167799 | epot = -20.6426975044847 | etot = -13.2825376715521 -792000 ekin = 3.5477656494443 | erot = 3.86447708281342 | epot = -20.6947804042054 | etot = -13.2825376719477 -793000 ekin = 3.56673386235719 | erot = 3.85375177259752 | epot = -20.7030233071327 | etot = -13.282537672178 -794000 ekin = 3.56535433496591 | erot = 3.81599585289175 | epot = -20.6638878600545 | etot = -13.2825376721968 -795000 ekin = 3.54336423774681 | erot = 3.75111846556983 | epot = -20.5770203753028 | etot = -13.2825376719862 -796000 ekin = 3.50191265633486 | erot = 3.66102926483526 | epot = -20.445479592736 | etot = -13.2825376715658 -797000 ekin = 3.44331621142581 | erot = 3.54957138817431 | epot = -20.275425270589 | etot = -13.2825376709889 -798000 ekin = 3.37066053440221 | erot = 3.42213246909072 | epot = -20.0753306738195 | etot = -13.2825376703266 -799000 ekin = 3.28735656784917 | erot = 3.28504268658437 | epot = -19.8549369240833 | etot = -13.2825376696498 -800000 ekin = 3.1967614101609 | erot = 3.14491706728329 | epot = -19.6242161464581 | etot = -13.2825376690139 -801000 ekin = 3.10193388348241 | erot = 3.008077953099 | epot = -19.3925495050348 | etot = -13.2825376684534 -802000 ekin = 3.00553736756426 | erot = 2.88012979876869 | epot = -19.1682048343169 | etot = -13.2825376679839 -803000 ekin = 2.90985246625746 | erot = 2.76569078054883 | epot = -18.9580809144165 | etot = -13.2825376676103 -804000 ekin = 2.81683808714811 | erot = 2.66824302177604 | epot = -18.767618776258 | etot = -13.2825376673338 -805000 ekin = 2.72818412045662 | erot = 2.59005510940243 | epot = -18.6007768970147 | etot = -13.2825376671557 -806000 ekin = 2.64532439255801 | erot = 2.53214862202529 | epot = -18.460010681661 | etot = -13.2825376670777 -807000 ekin = 2.56941186666917 | erot = 2.49430692056124 | epot = -18.3462564543289 | etot = -13.2825376670985 -808000 ekin = 2.50128142889036 | erot = 2.4751494073639 | epot = -18.2589685034643 | etot = -13.2825376672101 -809000 ekin = 2.44144236795443 | erot = 2.47230913362086 | epot = -18.1962891689445 | etot = -13.2825376673692 -810000 ekin = 2.39012708340952 | erot = 2.48271406544018 | epot = -18.1553788164563 | etot = -13.2825376676066 -811000 ekin = 2.34728664736234 | erot = 2.50269653307823 | epot = -18.1325208483013 | etot = -13.2825376678607 -812000 ekin = 2.31275384401392 | erot = 2.5284613206776 | epot = -18.1237528327934 | etot = -13.2825376681019 -813000 ekin = 2.28637472346062 | erot = 2.55641958964873 | epot = -18.1253319814181 | etot = -13.2825376683087 -814000 ekin = 2.2680963430183 | erot = 2.58342175986192 | epot = -18.1340557713507 | etot = -13.2825376684705 -815000 ekin = 2.25799398108187 | erot = 2.60689379310711 | epot = -18.147425442776 | etot = -13.282537668587 -816000 ekin = 2.25623692236378 | erot = 2.6248911786293 | epot = -18.1636657696559 | etot = -13.2825376686629 -817000 ekin = 2.26301448164562 | erot = 2.63611346242108 | epot = -18.1816656127696 | etot = -13.2825376687029 -818000 ekin = 2.27845464056916 | erot = 2.63992517489727 | epot = -18.200917484174 | etot = -13.2825376687075 -819000 ekin = 2.30255118254824 | erot = 2.63638076675709 | epot = -18.2214696180403 | etot = -13.2825376687349 -820000 ekin = 2.33498671690288 | erot = 2.62599567774902 | epot = -18.2435200633427 | etot = -13.2825376686908 -821000 ekin = 2.37528893737676 | erot = 2.61008048021327 | epot = -18.2679070861996 | etot = -13.2825376686096 -822000 ekin = 2.42285081016476 | erot = 2.59073415648932 | epot = -18.2961226351515 | etot = -13.2825376684974 -823000 ekin = 2.47691845695884 | erot = 2.57068820920496 | epot = -18.330144334532 | etot = -13.2825376683682 -824000 ekin = 2.53658809763949 | erot = 2.55309938377513 | epot = -18.3722251496539 | etot = -13.2825376682393 -825000 ekin = 2.60079770131234 | erot = 2.54128433496743 | epot = -18.4246197044077 | etot = -13.2825376681279 -826000 ekin = 2.6683297319833 | erot = 2.53844971722971 | epot = -18.4893171172594 | etot = -13.2825376680464 -827000 ekin = 2.73783541426496 | erot = 2.54745860097927 | epot = -18.5678316832478 | etot = -13.2825376680036 -828000 ekin = 2.8078735374226 | erot = 2.570638372336 | epot = -18.6610495777666 | etot = -13.282537668008 -829000 ekin = 2.87694004142142 | erot = 2.6095991500053 | epot = -18.7690768595013 | etot = -13.2825376680745 -830000 ekin = 2.94346318720465 | erot = 2.66502277159192 | epot = -18.8910236270209 | etot = -13.2825376682243 -831000 ekin = 3.00576095292962 | erot = 2.73641402738311 | epot = -19.0247126487928 | etot = -13.28253766848 -832000 ekin = 3.0619900354022 | erot = 2.82186650180673 | epot = -19.1663942060617 | etot = -13.2825376688528 -833000 ekin = 3.11014899562178 | erot = 2.9179503249138 | epot = -19.3106369898642 | etot = -13.2825376693286 -834000 ekin = 3.14820449359153 | erot = 3.01984474732083 | epot = -19.4505869107716 | etot = -13.2825376698592 -835000 ekin = 3.17437957900616 | erot = 3.12179257976731 | epot = -19.5787098291384 | etot = -13.2825376703649 -836000 ekin = 3.18757195243303 | erot = 3.217846898268 | epot = -19.687956521455 | etot = -13.282537670754 -837000 ekin = 3.18777327474339 | erot = 3.30274497121124 | epot = -19.7730559169123 | etot = -13.2825376709577 -838000 ekin = 3.17628521735201 | erot = 3.37264530222933 | epot = -19.8314681905428 | etot = -13.2825376709614 -839000 ekin = 3.15554655753232 | erot = 3.42547713952516 | epot = -19.8635613678745 | etot = -13.282537670817 -840000 ekin = 3.12853906989481 | erot = 3.46080086771501 | epot = -19.8718776082294 | etot = -13.2825376706196 -841000 ekin = 3.09797460324027 | erot = 3.47929817818113 | epot = -19.8598104518813 | etot = -13.2825376704599 -842000 ekin = 3.06563312579573 | erot = 3.48217550735097 | epot = -19.8303463035245 | etot = -13.2825376703778 -843000 ekin = 3.0321807849032 | erot = 3.47078119390777 | epot = -19.7854996491548 | etot = -13.2825376703438 -844000 ekin = 2.99754824930587 | erot = 3.44659665119674 | epot = -19.7266825707828 | etot = -13.2825376702802 -845000 ekin = 2.96164676060849 | erot = 3.41154768663129 | epot = -19.6557321173456 | etot = -13.2825376701058 -846000 ekin = 2.92503739739917 | erot = 3.3684099877387 | epot = -19.5759850549147 | etot = -13.2825376697769 -847000 ekin = 2.88924342097115 | erot = 3.32104931094625 | epot = -19.4928304012178 | etot = -13.2825376693004 -848000 ekin = 2.85664997217234 | erot = 3.2743258340256 | epot = -19.413513474944 | etot = -13.282537668746 -849000 ekin = 2.83005143134554 | erot = 3.23330176450845 | epot = -19.3458908642286 | etot = -13.2825376683746 -850000 ekin = 2.81205597381057 | erot = 3.20226229425748 | epot = -19.2968559356605 | etot = -13.2825376675925 -851000 ekin = 2.80444558746427 | erot = 3.18500981062148 | epot = -19.2719930659083 | etot = -13.2825376678225 -852000 ekin = 2.80546277463363 | erot = 3.18034603825546 | epot = -19.2683464810916 | etot = -13.2825376682025 -853000 ekin = 2.81244121485968 | erot = 3.18510929963401 | epot = -19.280088183197 | etot = -13.2825376687033 -854000 ekin = 2.82227167904044 | erot = 3.19468161889413 | epot = -19.2994909671748 | etot = -13.2825376692403 -855000 ekin = 2.83221172623428 | erot = 3.20377851190415 | epot = -19.3185279077744 | etot = -13.282537669636 -856000 ekin = 2.84030053008536 | erot = 3.20718605728263 | epot = -19.3300242573987 | etot = -13.2825376700307 -857000 ekin = 2.84404786964225 | erot = 3.20080956078108 | epot = -19.3273951006455 | etot = -13.2825376702222 -858000 ekin = 2.84179014642712 | erot = 3.18249842088716 | epot = -19.3068262375353 | etot = -13.282537670221 -859000 ekin = 2.8327614996683 | erot = 3.15199731413447 | epot = -19.2672964838756 | etot = -13.2825376700728 -860000 ekin = 2.8170072354239 | erot = 3.110467808288 | epot = -19.2100127135406 | etot = -13.2825376698287 -861000 ekin = 2.79529073711156 | erot = 3.0598903948263 | epot = -19.1377188014641 | etot = -13.2825376695262 -862000 ekin = 2.76903178124154 | erot = 3.00259641979431 | epot = -19.0541658702196 | etot = -13.2825376691838 -863000 ekin = 2.740260190387 | erot = 2.94102587736042 | epot = -18.9638237365556 | etot = -13.2825376688082 -864000 ekin = 2.71154390225988 | erot = 2.8776699566398 | epot = -18.8717515273048 | etot = -13.2825376684052 -865000 ekin = 2.68585679377337 | erot = 2.81509451396977 | epot = -18.7834889757305 | etot = -13.2825376679873 -866000 ekin = 2.66591731935461 | erot = 2.75755671057519 | epot = -18.7060116974828 | etot = -13.282537667553 -867000 ekin = 2.65369684330944 | erot = 2.70836237988842 | epot = -18.6445968906315 | etot = -13.2825376674336 -868000 ekin = 2.65132555303167 | erot = 2.66699243377126 | epot = -18.6008556541432 | etot = -13.2825376673403 -869000 ekin = 2.6604185838541 | erot = 2.63308802762149 | epot = -18.5760442787973 | etot = -13.2825376673217 -870000 ekin = 2.68169704365066 | erot = 2.60613905014281 | epot = -18.5703737612197 | etot = -13.2825376674262 -871000 ekin = 2.71467538115452 | erot = 2.58511614862431 | epot = -18.5823291974616 | etot = -13.2825376676827 -872000 ekin = 2.75720487539373 | erot = 2.56766485202981 | epot = -18.6074073957583 | etot = -13.2825376683347 -873000 ekin = 2.80308619821104 | erot = 2.54585820173567 | epot = -18.6314820689143 | etot = -13.2825376689676 -874000 ekin = 2.84699852609265 | erot = 2.51460161594248 | epot = -18.6441378114824 | etot = -13.2825376694472 -875000 ekin = 2.88482415059394 | erot = 2.47158418780442 | epot = -18.638946008002 | etot = -13.2825376696036 -876000 ekin = 2.91408523337446 | erot = 2.4177177291072 | epot = -18.6143406317896 | etot = -13.2825376693079 -877000 ekin = 2.93423099086519 | erot = 2.35825815690521 | epot = -18.5750268164492 | etot = -13.2825376686788 -878000 ekin = 2.94753405629445 | erot = 2.3008664537491 | epot = -18.5309381778413 | etot = -13.2825376677977 -879000 ekin = 2.95817730737743 | erot = 2.25490663307461 | epot = -18.4956216073104 | etot = -13.2825376668584 -880000 ekin = 2.97089825197214 | erot = 2.22983196328469 | epot = -18.4832678815182 | etot = -13.2825376662614 -881000 ekin = 2.98893595230079 | erot = 2.2333347502388 | epot = -18.5048083683019 | etot = -13.2825376657623 -882000 ekin = 3.01519221964841 | erot = 2.27015029166098 | epot = -18.5678801769104 | etot = -13.282537665601 -883000 ekin = 3.05097747089527 | erot = 2.3416684229089 | epot = -18.6751835596161 | etot = -13.2825376658119 -884000 ekin = 3.09435682547256 | erot = 2.4464864171362 | epot = -18.8233809089785 | etot = -13.2825376663698 -885000 ekin = 3.14183207196681 | erot = 2.57965576027657 | epot = -19.0040254994135 | etot = -13.2825376671702 -886000 ekin = 3.1891482279053 | erot = 2.73331108132125 | epot = -19.2049969773462 | etot = -13.2825376681197 -887000 ekin = 3.23157512360801 | erot = 2.89766014759257 | epot = -19.4117729403243 | etot = -13.2825376691237 -888000 ekin = 3.2645655180999 | erot = 3.06177663304004 | epot = -19.6088798212365 | etot = -13.2825376700966 -889000 ekin = 3.28428902019744 | erot = 3.21442460414138 | epot = -19.7812512952993 | etot = -13.2825376709605 -890000 ekin = 3.28801223277735 | erot = 3.34493087267462 | epot = -19.9154807770927 | etot = -13.2825376716407 -891000 ekin = 3.27434561775047 | erot = 3.44412613410549 | epot = -20.0010094239219 | etot = -13.2825376720659 -892000 ekin = 3.24338163760246 | erot = 3.5053051706131 | epot = -20.031224480396 | etot = -13.2825376721805 -893000 ekin = 3.19671556304953 | erot = 3.52503469850342 | epot = -20.0042879335176 | etot = -13.2825376719647 -894000 ekin = 3.13731299174319 | erot = 3.50356986373413 | epot = -19.9234205269247 | etot = -13.2825376714474 -895000 ekin = 3.06920917356835 | erot = 3.44471943347162 | epot = -19.7964662777404 | etot = -13.2825376707004 -896000 ekin = 2.99708420339286 | erot = 3.35519757227584 | epot = -19.6348194454858 | etot = -13.2825376698171 -897000 ekin = 2.92580051783491 | erot = 3.24367712660513 | epot = -19.4520153133288 | etot = -13.2825376688887 -898000 ekin = 2.85975229197251 | erot = 3.12035510152301 | epot = -19.2626450614017 | etot = -13.2825376679062 -899000 ekin = 2.80277954779219 | erot = 2.9956146737193 | epot = -19.0809318887035 | etot = -13.282537667192 -900000 ekin = 2.75771035420834 | erot = 2.87733650112268 | epot = -18.9175845220148 | etot = -13.2825376666838 -901000 ekin = 2.72580329202024 | erot = 2.77189091314049 | epot = -18.7802318714387 | etot = -13.282537666278 -902000 ekin = 2.70770279131466 | erot = 2.6846486143113 | epot = -18.6748890716194 | etot = -13.2825376659935 -903000 ekin = 2.7034449405386 | erot = 2.61971222758158 | epot = -18.6056948339661 | etot = -13.282537665846 -904000 ekin = 2.712491847434 | erot = 2.57966599079039 | epot = -18.5746955043512 | etot = -13.2825376661268 -905000 ekin = 2.73259472265153 | erot = 2.56420422221706 | epot = -18.5793366115661 | etot = -13.2825376666975 -906000 ekin = 2.75874387987261 | erot = 2.57016719355954 | epot = -18.6114487407167 | etot = -13.2825376672845 -907000 ekin = 2.78650456169418 | erot = 2.5927904298105 | epot = -18.6618326594052 | etot = -13.2825376679006 -908000 ekin = 2.81181709569093 | erot = 2.62665482044298 | epot = -18.7210095845691 | etot = -13.2825376684352 -909000 ekin = 2.83143463245786 | erot = 2.66677850527972 | epot = -18.7807508065316 | etot = -13.282537668794 -910000 ekin = 2.84337824045527 | erot = 2.70952965400631 | epot = -18.8354455633909 | etot = -13.2825376689293 -911000 ekin = 2.84713706868452 | erot = 2.75311048607999 | epot = -18.882785223623 | etot = -13.2825376688585 -912000 ekin = 2.8435329518418 | erot = 2.79744224266951 | epot = -18.9235128631685 | etot = -13.2825376686572 -913000 ekin = 2.83428813315847 | erot = 2.84350922919611 | epot = -18.9603350307843 | etot = -13.2825376684297 -914000 ekin = 2.82145638450671 | erot = 2.89244132991502 | epot = -18.996435382689 | etot = -13.2825376682672 -915000 ekin = 2.80692071973142 | erot = 2.94469332949939 | epot = -19.0341517174505 | etot = -13.2825376682197 -916000 ekin = 2.79210576378607 | erot = 2.99958827393019 | epot = -19.074231706004 | etot = -13.2825376682877 -917000 ekin = 2.77794567111531 | erot = 3.05530679535158 | epot = -19.1157901348997 | etot = -13.2825376684328 -918000 ekin = 2.76505338702007 | erot = 3.1092386103798 | epot = -19.156829665997 | etot = -13.2825376685971 -919000 ekin = 2.75398705149648 | erot = 3.15852296699312 | epot = -19.1950476872148 | etot = -13.2825376687252 -920000 ekin = 2.74549945480772 | erot = 3.2005917707978 | epot = -19.2286288943852 | etot = -13.2825376687797 -921000 ekin = 2.74117522182622 | erot = 3.23390288539695 | epot = -19.2576157760415 | etot = -13.2825376688183 -922000 ekin = 2.74423942346447 | erot = 3.25833644681322 | epot = -19.2851135391865 | etot = -13.2825376689088 -923000 ekin = 2.75519506142942 | erot = 3.27241102946701 | epot = -19.310143759855 | etot = -13.2825376689586 -924000 ekin = 2.77394479542841 | erot = 3.27524658464355 | epot = -19.3317290490837 | etot = -13.2825376690117 -925000 ekin = 2.79984975928351 | erot = 3.26648541912167 | epot = -19.3488728475058 | etot = -13.2825376691007 -926000 ekin = 2.83154188644563 | erot = 3.24600163470182 | epot = -19.3600811903832 | etot = -13.2825376692358 -927000 ekin = 2.86690921925873 | erot = 3.21375665515305 | epot = -19.3632035438127 | etot = -13.2825376694009 -928000 ekin = 2.90327996744615 | erot = 3.1698282422568 | epot = -19.3556458792629 | etot = -13.28253766956 -929000 ekin = 2.9377528576698 | erot = 3.11459709938568 | epot = -19.3348876267244 | etot = -13.2825376696689 -930000 ekin = 2.96759841378242 | erot = 3.04898886675846 | epot = -19.2991249502308 | etot = -13.28253766969 -931000 ekin = 2.99062544127426 | erot = 2.97467062307573 | epot = -19.2478337339529 | etot = -13.2825376696029 -932000 ekin = 3.00543704340162 | erot = 2.89412065067177 | epot = -19.182095363482 | etot = -13.2825376694086 -933000 ekin = 3.01154336745542 | erot = 2.81054368702195 | epot = -19.1046247236028 | etot = -13.2825376691254 -934000 ekin = 3.009296793607 | erot = 2.72759799681476 | epot = -19.0194324597542 | etot = -13.2825376693324 -935000 ekin = 2.997461341975 | erot = 2.64625807489206 | epot = -18.9262570860507 | etot = -13.2825376691836 -936000 ekin = 2.97526415104969 | erot = 2.56749092792282 | epot = -18.8252927479684 | etot = -13.2825376689959 -937000 ekin = 2.94352512535629 | erot = 2.49335517907744 | epot = -18.7194179732148 | etot = -13.2825376687811 -938000 ekin = 2.90367826462751 | erot = 2.42575018416626 | epot = -18.611966117346 | etot = -13.2825376685523 -939000 ekin = 2.85762227335056 | erot = 2.36633148508481 | epot = -18.5064914267688 | etot = -13.2825376683334 -940000 ekin = 2.80750328436355 | erot = 2.31642989470971 | epot = -18.4064708472124 | etot = -13.2825376681392 -941000 ekin = 2.75550936317914 | erot = 2.27698712574035 | epot = -18.315034156903 | etot = -13.2825376679835 -942000 ekin = 2.70367879384707 | erot = 2.24846537191054 | epot = -18.2346818336424 | etot = -13.2825376678848 -943000 ekin = 2.65376367610072 | erot = 2.23082283410755 | epot = -18.1671241780433 | etot = -13.282537667835 -944000 ekin = 2.60720594193945 | erot = 2.22360475791407 | epot = -18.1133483676727 | etot = -13.2825376678192 -945000 ekin = 2.56519856456668 | erot = 2.2261014482812 | epot = -18.0738376806584 | etot = -13.2825376678105 -946000 ekin = 2.52882759917491 | erot = 2.23758213190646 | epot = -18.0489473988614 | etot = -13.28253766778 -947000 ekin = 2.49923315501652 | erot = 2.25754573395336 | epot = -18.0393165566767 | etot = -13.2825376677068 -948000 ekin = 2.47771007493837 | erot = 2.28590689258452 | epot = -18.0461546351121 | etot = -13.2825376675892 -949000 ekin = 2.46568539867815 | erot = 2.32304174075055 | epot = -18.0712648068822 | etot = -13.2825376674535 -950000 ekin = 2.46454516561394 | erot = 2.36959060784074 | epot = -18.1166734407876 | etot = -13.2825376673329 -951000 ekin = 2.47533995001422 | erot = 2.42623129983711 | epot = -18.1841089171244 | etot = -13.2825376672731 -952000 ekin = 2.49848236356054 | erot = 2.49338196898259 | epot = -18.2744019998551 | etot = -13.282537667312 -953000 ekin = 2.53348398196953 | erot = 2.57089243330607 | epot = -18.3869140827469 | etot = -13.2825376674713 -954000 ekin = 2.57882587535192 | erot = 2.65786416807577 | epot = -18.5192277111793 | etot = -13.2825376677516 -955000 ekin = 2.63199527601701 | erot = 2.75261052014717 | epot = -18.6671434642983 | etot = -13.2825376681341 -956000 ekin = 2.68967924818385 | erot = 2.85274255006523 | epot = -18.824959466837 | etot = -13.2825376685879 -957000 ekin = 2.74806771949303 | erot = 2.95533472442408 | epot = -18.9859401129945 | etot = -13.2825376690774 -958000 ekin = 2.80319866682411 | erot = 3.05711581061847 | epot = -19.1428521470133 | etot = -13.2825376695707 -959000 ekin = 2.85127801277871 | erot = 3.15464148733328 | epot = -19.2884571701549 | etot = -13.2825376700429 -960000 ekin = 2.88892608820776 | erot = 3.24442918289906 | epot = -19.4158929415847 | etot = -13.2825376704779 -961000 ekin = 2.91333465074054 | erot = 3.32306194469256 | epot = -19.5189342662969 | etot = -13.2825376708638 -962000 ekin = 2.92235141889966 | erot = 3.38728585340868 | epot = -19.5921749434977 | etot = -13.2825376711894 -963000 ekin = 2.91452965719862 | erot = 3.43412743872512 | epot = -19.631194767364 | etot = -13.2825376714403 -964000 ekin = 2.88918087864217 | erot = 3.46104482999107 | epot = -19.6327633802318 | etot = -13.2825376715986 -965000 ekin = 2.84645277182146 | erot = 3.46610960647262 | epot = -19.595100049937 | etot = -13.282537671643 -966000 ekin = 2.78809663572529 | erot = 3.4488697192109 | epot = -19.5195040264019 | etot = -13.2825376714657 -967000 ekin = 2.71967964182158 | erot = 3.41234902493455 | epot = -19.4145663381801 | etot = -13.2825376714239 -968000 ekin = 2.64387658032148 | erot = 3.35650459867512 | epot = -19.2829188502152 | etot = -13.2825376712186 -969000 ekin = 2.56365983597794 | erot = 3.2821307177253 | epot = -19.1283282245258 | etot = -13.2825376708226 -970000 ekin = 2.48311062140704 | erot = 3.19174642311281 | epot = -18.9573947147568 | etot = -13.282537670237 -971000 ekin = 2.4074396573122 | erot = 3.08950974404967 | epot = -18.7794870708623 | etot = -13.2825376695004 -972000 ekin = 2.34264905759316 | erot = 2.98071332519642 | epot = -18.6059000516343 | etot = -13.2825376688447 -973000 ekin = 2.29453827357382 | erot = 2.87084836317583 | epot = -18.4479243047352 | etot = -13.2825376679856 -974000 ekin = 2.26986492520578 | erot = 2.76590322626965 | epot = -18.3183058187343 | etot = -13.2825376672589 -975000 ekin = 2.27457634337442 | erot = 2.67096736253948 | epot = -18.2280813726668 | etot = -13.2825376667529 -976000 ekin = 2.31300758343906 | erot = 2.58967385345333 | epot = -18.1852191035243 | etot = -13.2825376666319 -977000 ekin = 2.38775385247815 | erot = 2.52429198069488 | epot = -18.1945835001196 | etot = -13.2825376669466 -978000 ekin = 2.4934313211563 | erot = 2.47478959068606 | epot = -18.2507585813607 | etot = -13.2825376695183 -979000 ekin = 2.63194261798452 | erot = 2.43666985309478 | epot = -18.3511501394633 | etot = -13.282537668384 -980000 ekin = 2.80143349399528 | erot = 2.41383709770836 | epot = -18.4978082614077 | etot = -13.282537669704 -981000 ekin = 2.97613228562078 | erot = 2.40353470194656 | epot = -18.6622046578964 | etot = -13.2825376703291 -982000 ekin = 3.15493786388404 | erot = 2.40097885128001 | epot = -18.8384543865222 | etot = -13.2825376713581 -983000 ekin = 3.32895075409049 | erot = 2.40358703806397 | epot = -19.0150754641548 | etot = -13.2825376720003 -984000 ekin = 3.48942626013249 | erot = 2.40902391908617 | epot = -19.18098785172 | etot = -13.2825376725014 -985000 ekin = 3.6306055406564 | erot = 2.41512886518398 | epot = -19.3282720786933 | etot = -13.2825376728529 -986000 ekin = 3.74861810546546 | erot = 2.42024356026412 | epot = -19.4513993386271 | etot = -13.2825376728975 -987000 ekin = 3.84212741101313 | erot = 2.42421773193476 | epot = -19.5488828158614 | etot = -13.2825376729136 -988000 ekin = 3.9111876503493 | erot = 2.42704295378038 | epot = -19.6207682769609 | etot = -13.2825376728312 -989000 ekin = 3.95686695904995 | erot = 2.42875435937409 | epot = -19.668158991096 | etot = -13.282537672672 -990000 ekin = 3.98122336716337 | erot = 2.42964012337661 | epot = -19.6934011629903 | etot = -13.2825376724504 -991000 ekin = 3.98715071441045 | erot = 2.43015135465657 | epot = -19.6998397412425 | etot = -13.2825376721755 -992000 ekin = 3.97827672378661 | erot = 2.43082965988458 | epot = -19.6916440567348 | etot = -13.2825376730636 -993000 ekin = 3.95551199280445 | erot = 2.42901824172678 | epot = -19.6670679074445 | etot = -13.2825376729133 -994000 ekin = 3.91976370645273 | erot = 2.42191618457207 | epot = -19.6242175637255 | etot = -13.2825376727007 -995000 ekin = 3.87458078790943 | erot = 2.40932775584377 | epot = -19.5664462161828 | etot = -13.2825376724296 -996000 ekin = 3.82377191569406 | erot = 2.39162261233252 | epot = -19.4979322001416 | etot = -13.282537672115 -997000 ekin = 3.77108738615857 | erot = 2.36980944948075 | epot = -19.4234345074243 | etot = -13.282537671785 -998000 ekin = 3.71986049076073 | erot = 2.34548651222161 | epot = -19.3478846744559 | etot = -13.2825376714735 -999000 ekin = 3.6726879444491 | erot = 2.32066228971374 | epot = -19.2758879053768 | etot = -13.282537671214 -1000000 ekin = 3.63122130703635 | erot = 2.29747929877849 | epot = -19.2112382768466 | etot = -13.2825376710318 - 1000000 0.16138761 -1.2609484 0.060246044 -0.97375106 -5.5311015e-05 -Loop time of 26.5666 on 4 procs for 1000000 steps with 16 atoms - -Performance: 32522.039 tau/day, 37641.249 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 | 3.3902 | 10.546 | 19.399 | 188.7 | 39.70 -Bond | 0.18541 | 0.40208 | 0.71402 | 31.3 | 1.51 -Neigh | 0.000147 | 0.000155 | 0.000163 | 0.0 | 0.00 -Comm | 2.6792 | 2.8295 | 2.994 | 7.2 | 10.65 -Output | 3.1e-05 | 3.425e-05 | 3.6e-05 | 0.0 | 0.00 -Modify | 0.37735 | 0.81798 | 1.4614 | 45.1 | 3.08 -Other | | 11.97 | | | 45.06 - -Nlocal: 4.0 ave 8.0 max 1.0 min -Histogram: 1 1 0 0 0 1 0 0 0 1 -Nghost: 10.5 ave 12.0 max 8.0 min -Histogram: 1 0 0 0 0 0 0 2 0 1 -Neighs: 31.75 ave 55.0 max 9.0 min -Histogram: 1 1 0 0 0 0 0 0 1 1 - -Total # of neighbors = 127 -Ave neighs/atom = 7.9375 -Ave special neighs/atom = 3.75 -Neighbor list builds = 7 -Dangerous builds = 0 - -#write_restart config.${number}.* -Total wall time: 0:00:26 diff --git a/src/.gitignore b/src/.gitignore index b4c33c17cf..8220614851 100644 --- a/src/.gitignore +++ b/src/.gitignore @@ -52,7 +52,7 @@ /*_dielectric.cpp /*_dielectric.h /compute_efield_atom.cpp -/compute_efield_atom.j +/compute_efield_atom.h /superpose3d.h @@ -314,6 +314,8 @@ /atom_vec_granular.h /atom_vec_molecular.cpp /atom_vec_molecular.h +/atom_vec_oxdna.cpp +/atom_vec_oxdna.h /atom_vec_peri.cpp /atom_vec_peri.h /atom_vec_template.cpp diff --git a/src/CG-DNA/Install.sh b/src/CG-DNA/Install.sh index 9ef10d3f62..3c65fac787 100755 --- a/src/CG-DNA/Install.sh +++ b/src/CG-DNA/Install.sh @@ -26,8 +26,25 @@ action () { fi } +# the CG-DNA package cannot be used without +# the MOLECULE and ASPHERE packages installed. + +if (test $1 = 1) then + if (test ! -e ../bond_harmonic.cpp) then + echo "Must install MOLECULE package with CG-DNA" + exit 1 + fi + if (test ! -e ../fix_nve_asphere.cpp) then + echo "Must install ASPHERE package with CG-DNA" + exit 1 + fi +fi + + # list of files with dependcies +action atom_vec_oxdna.cpp +action atom_vec_oxdna.h action bond_oxdna_fene.cpp bond_fene.h action bond_oxdna2_fene.cpp bond_fene.h action bond_oxrna2_fene.cpp bond_fene.h diff --git a/src/CG-DNA/atom_vec_oxdna.cpp b/src/CG-DNA/atom_vec_oxdna.cpp new file mode 100644 index 0000000000..65787a0d98 --- /dev/null +++ b/src/CG-DNA/atom_vec_oxdna.cpp @@ -0,0 +1,91 @@ +/* ---------------------------------------------------------------------- + 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 "atom_vec_oxdna.h" + +#include "atom.h" +#include "comm.h" + +using namespace LAMMPS_NS; + +/* ---------------------------------------------------------------------- */ +AtomVecOxdna::AtomVecOxdna(LAMMPS *lmp) : AtomVec(lmp) +{ + molecular = Atom::MOLECULAR; + bonds_allow = 1; + mass_type = PER_TYPE; + + atom->molecule_flag = 1; + + // strings with peratom variables to include in each AtomVec method + // strings cannot contain fields in corresponding AtomVec default strings + // order of fields in a string does not matter + // except: fields_data_atom & fields_data_vel must match data file + + fields_grow = (char *) "id5p"; + fields_copy = (char *) "id5p"; + fields_comm = (char *) ""; + fields_comm_vel = (char *) ""; + fields_reverse = (char *) ""; + fields_border = (char *) "id5p"; + fields_border_vel = (char *) ""; + fields_exchange = (char *) "id5p"; + fields_restart = (char *) "id5p"; + fields_create = (char *) ""; + fields_data_atom = (char *) "id type x"; + fields_data_vel = (char *) "id v"; + + setup_fields(); +} + +/* ---------------------------------------------------------------------- */ +AtomVecOxdna::~AtomVecOxdna() {} + +/* ---------------------------------------------------------------------- + set local copies of all grow ptrs used by this class, except defaults + needed in replicate when 2 atom classes exist and it calls pack_restart() +------------------------------------------------------------------------- */ + +void AtomVecOxdna::grow_pointers() +{ + id5p = atom->id5p; +} + +/* ---------------------------------------------------------------------- + initialize atom quantity 5' partner +------------------------------------------------------------------------- */ + +void AtomVecOxdna::data_atom_post(int ilocal) +{ + tagint *id5p = atom->id5p; + id5p[ilocal] = -1; +} + +/* ---------------------------------------------------------------------- + process bond information as per data file + store 5' partner to inform 3'->5' bond directionality +------------------------------------------------------------------------- */ + +void AtomVecOxdna::data_bonds_post(int m, int num_bond, tagint atom1, tagint atom2, + tagint id_offset) +{ + int n; + tagint *id5p = atom->id5p; + + if (id_offset) { + atom1 += id_offset; + atom2 += id_offset; + } + + if ((n = atom->map(atom1)) >= 0) { id5p[n] = atom2; } +} diff --git a/src/CG-DNA/atom_vec_oxdna.h b/src/CG-DNA/atom_vec_oxdna.h new file mode 100644 index 0000000000..f05f6d2013 --- /dev/null +++ b/src/CG-DNA/atom_vec_oxdna.h @@ -0,0 +1,47 @@ +/* -*- 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 ATOM_CLASS +// clang-format off +AtomStyle(oxdna,AtomVecOxdna); +// clang-format on +#else + +#ifndef LMP_ATOM_VEC_OXDNA_H +#define LMP_ATOM_VEC_OXDNA_H + +#include "atom_vec.h" + +namespace LAMMPS_NS { + +class AtomVecOxdna : public AtomVec { + public: + AtomVecOxdna(class LAMMPS *); + ~AtomVecOxdna(); + + void grow_pointers(); + void data_atom_post(int); + void data_bonds_post(int, int, tagint, tagint, tagint); + + private: + tagint *id5p; +}; + +} // namespace LAMMPS_NS + +#endif +#endif + +/* ERROR/WARNING messages: + +*/ diff --git a/src/CG-DNA/pair_oxdna2_excv.cpp b/src/CG-DNA/pair_oxdna2_excv.cpp index 2197fceb76..cde2af65da 100644 --- a/src/CG-DNA/pair_oxdna2_excv.cpp +++ b/src/CG-DNA/pair_oxdna2_excv.cpp @@ -1,4 +1,3 @@ -// clang-format off /* ---------------------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator https://www.lammps.org/, Sandia National Laboratories @@ -19,34 +18,19 @@ using namespace LAMMPS_NS; -/* ---------------------------------------------------------------------- */ - -PairOxdna2Excv::PairOxdna2Excv(LAMMPS *lmp) : PairOxdnaExcv(lmp) -{ - -} - -/* ---------------------------------------------------------------------- */ - -PairOxdna2Excv::~PairOxdna2Excv() -{ - -} - /* ---------------------------------------------------------------------- compute vector COM-excluded volume interaction sites in oxDNA2 ------------------------------------------------------------------------- */ -void PairOxdna2Excv::compute_interaction_sites(double e1[3], double e2[3], - double /*e3*/[3], double rs[3], double rb[3]) +void PairOxdna2Excv::compute_interaction_sites(double e1[3], double e2[3], double /*e3*/[3], + double rs[3], double rb[3]) { - double d_cs_x=-0.34, d_cs_y=+0.3408, d_cb=+0.4; + double d_cs_x = -0.34, d_cs_y = +0.3408, d_cb = +0.4; - rs[0] = d_cs_x*e1[0] + d_cs_y*e2[0]; - rs[1] = d_cs_x*e1[1] + d_cs_y*e2[1]; - rs[2] = d_cs_x*e1[2] + d_cs_y*e2[2]; - - rb[0] = d_cb*e1[0]; - rb[1] = d_cb*e1[1]; - rb[2] = d_cb*e1[2]; + rs[0] = d_cs_x * e1[0] + d_cs_y * e2[0]; + rs[1] = d_cs_x * e1[1] + d_cs_y * e2[1]; + rs[2] = d_cs_x * e1[2] + d_cs_y * e2[2]; + rb[0] = d_cb * e1[0]; + rb[1] = d_cb * e1[1]; + rb[2] = d_cb * e1[2]; } diff --git a/src/CG-DNA/pair_oxdna2_excv.h b/src/CG-DNA/pair_oxdna2_excv.h index e5fc3a3a26..bc016534f0 100644 --- a/src/CG-DNA/pair_oxdna2_excv.h +++ b/src/CG-DNA/pair_oxdna2_excv.h @@ -26,8 +26,9 @@ namespace LAMMPS_NS { class PairOxdna2Excv : public PairOxdnaExcv { public: - PairOxdna2Excv(class LAMMPS *); - virtual ~PairOxdna2Excv(); + 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_oxdna_stk.cpp b/src/CG-DNA/pair_oxdna_stk.cpp index 25521fd1e0..63439e3ac4 100644 --- a/src/CG-DNA/pair_oxdna_stk.cpp +++ b/src/CG-DNA/pair_oxdna_stk.cpp @@ -17,19 +17,20 @@ #include "pair_oxdna_stk.h" +#include "atom.h" +#include "atom_vec_ellipsoid.h" +#include "atom_vec_oxdna.h" +#include "comm.h" +#include "error.h" +#include "force.h" +#include "math_extra.h" +#include "memory.h" +#include "mf_oxdna.h" +#include "neighbor.h" + #include #include #include -#include "mf_oxdna.h" -#include "atom.h" -#include "comm.h" -#include "force.h" -#include "neighbor.h" -#include "memory.h" -#include "error.h" - -#include "atom_vec_ellipsoid.h" -#include "math_extra.h" using namespace LAMMPS_NS; using namespace MFOxdna; @@ -42,26 +43,26 @@ PairOxdnaStk::PairOxdnaStk(LAMMPS *lmp) : Pair(lmp) writedata = 1; // sequence-specific stacking strength - // A:0 C:1 G:2 T:3, 5'- [i][j] -3' + // A:0 C:1 G:2 T:3, 3'- [i][j] -5' eta_st[0][0] = 1.11960; - eta_st[0][1] = 1.00852; - eta_st[0][2] = 0.96950; - eta_st[0][3] = 0.99632; + eta_st[1][0] = 1.00852; + eta_st[2][0] = 0.96950; + eta_st[3][0] = 0.99632; - eta_st[1][0] = 1.01889; + eta_st[0][1] = 1.01889; eta_st[1][1] = 0.97804; - eta_st[1][2] = 1.02681; - eta_st[1][3] = 0.96950; + eta_st[2][1] = 1.02681; + eta_st[3][1] = 0.96950; - eta_st[2][0] = 0.98169; - eta_st[2][1] = 1.05913; + eta_st[0][2] = 0.98169; + eta_st[1][2] = 1.05913; eta_st[2][2] = 0.97804; - eta_st[2][3] = 1.00852; + eta_st[3][2] = 1.00852; - eta_st[3][0] = 0.94694; - eta_st[3][1] = 0.98169; - eta_st[3][2] = 1.01889; + eta_st[0][3] = 0.94694; + eta_st[1][3] = 0.98169; + eta_st[2][3] = 1.01889; eta_st[3][3] = 0.96383; } @@ -244,11 +245,13 @@ void PairOxdnaStk::compute(int eflag, int vflag) int **bondlist = neighbor->bondlist; int nbondlist = neighbor->nbondlist; + tagint *id5p = atom->id5p; + AtomVecEllipsoid *avec = (AtomVecEllipsoid *) atom->style_match("ellipsoid"); AtomVecEllipsoid::Bonus *bonus = avec->bonus; int *ellipsoid = atom->ellipsoid; - int a,b,in,atype,btype; + int a,b,btemp,in,atype,btype; double f1,f4t4,f4t5,f4t6,f5c1,f5c2; double df1,df4t4,df4t5,df4t6,df5c1,df5c2; @@ -261,8 +264,19 @@ void PairOxdnaStk::compute(int eflag, int vflag) for (in = 0; in < nbondlist; in++) { - a = bondlist[in][1]; - b = bondlist[in][0]; + a = bondlist[in][0]; + b = bondlist[in][1]; + + // directionality test: a -> b is 3' -> 5' + if(atom->tag[b] != id5p[a]) { + + btemp = b; + b = a; + a = btemp; + + } + + // a now in 3' direction, b in 5' direction qa=bonus[ellipsoid[a]].quat; MathExtra::q_to_exyz(qa,ax,ay,az); @@ -279,30 +293,11 @@ void PairOxdnaStk::compute(int eflag, int vflag) rb_cst[1] = d_cst*bx[1]; rb_cst[2] = d_cst*bx[2]; - // vector stacking site b to a - delr_st[0] = x[a][0] + ra_cst[0] - x[b][0] - rb_cst[0]; - delr_st[1] = x[a][1] + ra_cst[1] - x[b][1] - rb_cst[1]; - delr_st[2] = x[a][2] + ra_cst[2] - x[b][2] - rb_cst[2]; + // vector stacking site a to b + delr_st[0] = x[b][0] + rb_cst[0] - x[a][0] - ra_cst[0]; + delr_st[1] = x[b][1] + rb_cst[1] - x[a][1] - ra_cst[1]; + delr_st[2] = x[b][2] + rb_cst[2] - x[a][2] - ra_cst[2]; - // test for directionality of vector b to a - tptofp = MFOxdna::is_3pto5p(delr_st,bz); - - // if b to a is 5' to 3' we need to swap roles of a and b - if (tptofp == -1) { - - std::swap(a,b); - std::swap(ax,bx); - std::swap(ay,by); - std::swap(az,bz); - std::swap(ra_cst,rb_cst); - - delr_st[0] *= -1; - delr_st[1] *= -1; - delr_st[2] *= -1; - - } - - // a now in 5' direction, b in 3' direction atype = type[a]; btype = type[b]; @@ -325,9 +320,9 @@ void PairOxdnaStk::compute(int eflag, int vflag) rb_cs[2] = d_cs*bx[2]; // vector backbone site b to a - delr_ss[0] = (x[a][0] + ra_cs[0] - x[b][0] - rb_cs[0]); - delr_ss[1] = (x[a][1] + ra_cs[1] - x[b][1] - rb_cs[1]); - delr_ss[2] = (x[a][2] + ra_cs[2] - x[b][2] - rb_cs[2]); + delr_ss[0] = (x[b][0] + rb_cs[0] - x[a][0] - ra_cs[0]); + delr_ss[1] = (x[b][1] + rb_cs[1] - x[a][1] - ra_cs[1]); + delr_ss[2] = (x[b][2] + rb_cs[2] - x[a][2] - ra_cs[2]); rsq_ss = delr_ss[0]*delr_ss[0] + delr_ss[1]*delr_ss[1] + delr_ss[2]*delr_ss[2]; r_ss = sqrt(rsq_ss); @@ -345,7 +340,7 @@ void PairOxdnaStk::compute(int eflag, int vflag) if (f1) { // theta4 angle and correction - cost4 = MathExtra::dot3(az,bz); + cost4 = MathExtra::dot3(bz,az); if (cost4 > 1.0) cost4 = 1.0; if (cost4 < -1.0) cost4 = -1.0; theta4 = acos(cost4); @@ -357,7 +352,7 @@ void PairOxdnaStk::compute(int eflag, int vflag) if (f4t4) { // theta5 angle and correction - cost5p = MathExtra::dot3(delr_st_norm,az); + cost5p = MathExtra::dot3(delr_st_norm,bz); if (cost5p > 1.0) cost5p = 1.0; if (cost5p < -1.0) cost5p = -1.0; theta5p = acos(cost5p); @@ -368,16 +363,16 @@ void PairOxdnaStk::compute(int eflag, int vflag) // early rejection criterium if (f4t5) { - cost6p = MathExtra::dot3(delr_st_norm,bz); + cost6p = MathExtra::dot3(delr_st_norm,az); if (cost6p > 1.0) cost6p = 1.0; if (cost6p < -1.0) cost6p = -1.0; theta6p = acos(cost6p); - cosphi1 = MathExtra::dot3(delr_ss_norm,ay); + cosphi1 = MathExtra::dot3(delr_ss_norm,by); if (cosphi1 > 1.0) cosphi1 = 1.0; if (cosphi1 < -1.0) cosphi1 = -1.0; - cosphi2 = MathExtra::dot3(delr_ss_norm,by); + cosphi2 = MathExtra::dot3(delr_ss_norm,ay); if (cosphi2 > 1.0) cosphi2 = 1.0; if (cosphi2 < -1.0) cosphi2 = -1.0; @@ -385,11 +380,10 @@ void PairOxdnaStk::compute(int eflag, int vflag) b_st6[atype][btype], dtheta_st6_c[atype][btype]); f5c1 = F5(-cosphi1, a_st1[atype][btype], -cosphi_st1_ast[atype][btype], b_st1[atype][btype], - cosphi_st1_c[atype][btype]); + -cosphi_st1_c[atype][btype]); f5c2 = F5(-cosphi2, a_st2[atype][btype], -cosphi_st2_ast[atype][btype], b_st2[atype][btype], - cosphi_st2_c[atype][btype]); - + -cosphi_st2_c[atype][btype]); evdwl = f1 * f4t4 * f4t5 * f4t6 * f5c1 * f5c2; @@ -410,10 +404,10 @@ void PairOxdnaStk::compute(int eflag, int vflag) b_st6[atype][btype], dtheta_st6_c[atype][btype])/sin(theta6p); df5c1 = DF5(-cosphi1, a_st1[atype][btype], -cosphi_st1_ast[atype][btype], b_st1[atype][btype], - cosphi_st1_c[atype][btype]); + -cosphi_st1_c[atype][btype]); df5c2 = DF5(-cosphi2, a_st2[atype][btype], -cosphi_st2_ast[atype][btype], b_st2[atype][btype], - cosphi_st2_c[atype][btype]); + -cosphi_st2_c[atype][btype]); // force, torque and virial contribution for forces between stacking sites @@ -446,9 +440,9 @@ void PairOxdnaStk::compute(int eflag, int vflag) finc = -f1 * f4t4 * df4t5 * f4t6 * f5c1 * f5c2 * rinv_st; fpair += finc; - delf[0] += (delr_st_norm[0]*cost5p - az[0]) * finc; - delf[1] += (delr_st_norm[1]*cost5p - az[1]) * finc; - delf[2] += (delr_st_norm[2]*cost5p - az[2]) * finc; + delf[0] += (delr_st_norm[0]*cost5p - bz[0]) * finc; + delf[1] += (delr_st_norm[1]*cost5p - bz[1]) * finc; + delf[2] += (delr_st_norm[2]*cost5p - bz[2]) * finc; } @@ -458,28 +452,27 @@ void PairOxdnaStk::compute(int eflag, int vflag) finc = -f1 * f4t4 * f4t5 * df4t6 * f5c1 * f5c2 * rinv_st; fpair += finc; - delf[0] += (delr_st_norm[0]*cost6p - bz[0]) * finc; - delf[1] += (delr_st_norm[1]*cost6p - bz[1]) * finc; - delf[2] += (delr_st_norm[2]*cost6p - bz[2]) * finc; + delf[0] += (delr_st_norm[0]*cost6p - az[0]) * finc; + delf[1] += (delr_st_norm[1]*cost6p - az[1]) * finc; + delf[2] += (delr_st_norm[2]*cost6p - az[2]) * finc; } // increment forces and torques - if (newton_bond || a < nlocal) { - f[a][0] += delf[0]; - f[a][1] += delf[1]; - f[a][2] += delf[2]; + f[a][0] -= delf[0]; + f[a][1] -= delf[1]; + f[a][2] -= delf[2]; MathExtra::cross3(ra_cst,delf,delta); } if (newton_bond || b < nlocal) { - f[b][0] -= delf[0]; - f[b][1] -= delf[1]; - f[b][2] -= delf[2]; + f[b][0] += delf[0]; + f[b][1] += delf[1]; + f[b][2] += delf[2]; MathExtra::cross3(rb_cst,delf,deltb); @@ -487,16 +480,16 @@ void PairOxdnaStk::compute(int eflag, int vflag) if (newton_bond || a < nlocal) { - torque[a][0] += delta[0]; - torque[a][1] += delta[1]; - torque[a][2] += delta[2]; + torque[a][0] -= delta[0]; + torque[a][1] -= delta[1]; + torque[a][2] -= delta[2]; } if (newton_bond || b < nlocal) { - torque[b][0] -= deltb[0]; - torque[b][1] -= deltb[1]; - torque[b][2] -= deltb[2]; + torque[b][0] += deltb[0]; + torque[b][1] += deltb[1]; + torque[b][2] += deltb[2]; } @@ -505,7 +498,7 @@ void PairOxdnaStk::compute(int eflag, int vflag) // (see G. Ciccotti and J.P. Ryckaert, Comp. Phys. Rep. 4, 345-392 (1986)) if (evflag) ev_tally_xyz(a,b,nlocal,newton_bond,evdwl, - delf[0],delf[1],delf[2],x[a][0]-x[b][0],x[a][1]-x[b][1],x[a][2]-x[b][2]); + delf[0],delf[1],delf[2],x[b][0]-x[a][0],x[b][1]-x[a][1],x[b][2]-x[a][2]); // force, torque and virial contribution for forces between backbone sites @@ -529,9 +522,9 @@ void PairOxdnaStk::compute(int eflag, int vflag) finc = -f1 * f4t4 * f4t5 * f4t6 * df5c1 * f5c2 * rinv_ss; fpair += finc; - delf[0] += (delr_ss_norm[0]*cosphi1 - ay[0]) * finc; - delf[1] += (delr_ss_norm[1]*cosphi1 - ay[1]) * finc; - delf[2] += (delr_ss_norm[2]*cosphi1 - ay[2]) * finc; + delf[0] += (delr_ss_norm[0]*cosphi1 - by[0]) * finc; + delf[1] += (delr_ss_norm[1]*cosphi1 - by[1]) * finc; + delf[2] += (delr_ss_norm[2]*cosphi1 - by[2]) * finc; } @@ -541,28 +534,27 @@ void PairOxdnaStk::compute(int eflag, int vflag) finc = -f1 * f4t4 * f4t5 * f4t6 * f5c1 * df5c2 * rinv_ss; fpair += finc; - delf[0] += (delr_ss_norm[0]*cosphi2 - by[0]) * finc; - delf[1] += (delr_ss_norm[1]*cosphi2 - by[1]) * finc; - delf[2] += (delr_ss_norm[2]*cosphi2 - by[2]) * finc; + delf[0] += (delr_ss_norm[0]*cosphi2 - ay[0]) * finc; + delf[1] += (delr_ss_norm[1]*cosphi2 - ay[1]) * finc; + delf[2] += (delr_ss_norm[2]*cosphi2 - ay[2]) * finc; } // increment forces and torques - if (newton_bond || a < nlocal) { - f[a][0] += delf[0]; - f[a][1] += delf[1]; - f[a][2] += delf[2]; + f[a][0] -= delf[0]; + f[a][1] -= delf[1]; + f[a][2] -= delf[2]; MathExtra::cross3(ra_cs,delf,delta); } if (newton_bond || b < nlocal) { - f[b][0] -= delf[0]; - f[b][1] -= delf[1]; - f[b][2] -= delf[2]; + f[b][0] += delf[0]; + f[b][1] += delf[1]; + f[b][2] += delf[2]; MathExtra::cross3(rb_cs,delf,deltb); @@ -570,22 +562,22 @@ void PairOxdnaStk::compute(int eflag, int vflag) if (newton_bond || a < nlocal) { - torque[a][0] += delta[0]; - torque[a][1] += delta[1]; - torque[a][2] += delta[2]; + torque[a][0] -= delta[0]; + torque[a][1] -= delta[1]; + torque[a][2] -= delta[2]; } if (newton_bond || b < nlocal) { - torque[b][0] -= deltb[0]; - torque[b][1] -= deltb[1]; - torque[b][2] -= deltb[2]; + torque[b][0] += deltb[0]; + torque[b][1] += deltb[1]; + torque[b][2] += deltb[2]; } // increment virial only if (evflag) ev_tally_xyz(a,b,nlocal,newton_bond,0.0, - delf[0],delf[1],delf[2],x[a][0]-x[b][0],x[a][1]-x[b][1],x[a][2]-x[b][2]); + delf[0],delf[1],delf[2],x[b][0]-x[a][0],x[b][1]-x[a][1],x[b][2]-x[a][2]); // pure torques not expressible as r x f @@ -600,7 +592,7 @@ void PairOxdnaStk::compute(int eflag, int vflag) if (theta4) { tpair = -f1 * df4t4 * f4t5 * f4t6 * f5c1 * f5c2; - MathExtra::cross3(bz,az,t4dir); + MathExtra::cross3(az,bz,t4dir); delta[0] += t4dir[0]*tpair; delta[1] += t4dir[1]*tpair; @@ -616,11 +608,11 @@ void PairOxdnaStk::compute(int eflag, int vflag) if (theta5p) { tpair = -f1 * f4t4 * df4t5 * f4t6 * f5c1 * f5c2; - MathExtra::cross3(delr_st_norm,az,t5pdir); + MathExtra::cross3(delr_st_norm,bz,t5pdir); - delta[0] += t5pdir[0] * tpair; - delta[1] += t5pdir[1] * tpair; - delta[2] += t5pdir[2] * tpair; + deltb[0] += t5pdir[0] * tpair; + deltb[1] += t5pdir[1] * tpair; + deltb[2] += t5pdir[2] * tpair; } @@ -628,11 +620,11 @@ void PairOxdnaStk::compute(int eflag, int vflag) if (theta6p) { tpair = -f1 * f4t4 * f4t5 * df4t6 * f5c1 * f5c2; - MathExtra::cross3(delr_st_norm,bz,t6pdir); + MathExtra::cross3(delr_st_norm,az,t6pdir); - deltb[0] -= t6pdir[0] * tpair; - deltb[1] -= t6pdir[1] * tpair; - deltb[2] -= t6pdir[2] * tpair; + delta[0] -= t6pdir[0] * tpair; + delta[1] -= t6pdir[1] * tpair; + delta[2] -= t6pdir[2] * tpair; } @@ -640,11 +632,11 @@ void PairOxdnaStk::compute(int eflag, int vflag) if (cosphi1) { tpair = -f1 * f4t4 * f4t5 * f4t6 * df5c1 * f5c2; - MathExtra::cross3(delr_ss_norm,ay,cosphi1dir); + MathExtra::cross3(delr_ss_norm,by,cosphi1dir); - delta[0] += cosphi1dir[0] * tpair; - delta[1] += cosphi1dir[1] * tpair; - delta[2] += cosphi1dir[2] * tpair; + deltb[0] += cosphi1dir[0] * tpair; + deltb[1] += cosphi1dir[1] * tpair; + deltb[2] += cosphi1dir[2] * tpair; } @@ -652,27 +644,27 @@ void PairOxdnaStk::compute(int eflag, int vflag) if (cosphi2) { tpair = -f1 * f4t4 * f4t5 * f4t6 * f5c1 * df5c2; - MathExtra::cross3(delr_ss_norm,by,cosphi2dir); + MathExtra::cross3(delr_ss_norm,ay,cosphi2dir); - deltb[0] -= cosphi2dir[0] * tpair; - deltb[1] -= cosphi2dir[1] * tpair; - deltb[2] -= cosphi2dir[2] * tpair; + delta[0] -= cosphi2dir[0] * tpair; + delta[1] -= cosphi2dir[1] * tpair; + delta[2] -= cosphi2dir[2] * tpair; } // increment torques if (newton_bond || a < nlocal) { - torque[a][0] += delta[0]; - torque[a][1] += delta[1]; - torque[a][2] += delta[2]; + torque[a][0] -= delta[0]; + torque[a][1] -= delta[1]; + torque[a][2] -= delta[2]; } if (newton_bond || b < nlocal) { - torque[b][0] -= deltb[0]; - torque[b][1] -= deltb[1]; - torque[b][2] -= deltb[2]; + torque[b][0] += deltb[0]; + torque[b][1] += deltb[1]; + torque[b][2] += deltb[2]; } @@ -935,6 +927,17 @@ void PairOxdnaStk::coeff(int narg, char **arg) } +/* ---------------------------------------------------------------------- + atom_style hybrid bond ellipsoid oxdna required +------------------------------------------------------------------------- */ + +void PairOxdnaStk::init_style() +{ + if (!atom->style_match("oxdna")) { + error->all(FLERR,"Must use 'atom_style hybrid bond ellipsoid oxdna' with pair style oxdna/stk, oxdna2/stk or oxrna2/stk"); + } +} + /* ---------------------------------------------------------------------- neighbor callback to inform pair style of neighbor list to use regular ------------------------------------------------------------------------- */ diff --git a/src/CG-DNA/pair_oxdna_stk.h b/src/CG-DNA/pair_oxdna_stk.h index 3d6c22d909..8695f8fd36 100644 --- a/src/CG-DNA/pair_oxdna_stk.h +++ b/src/CG-DNA/pair_oxdna_stk.h @@ -32,6 +32,7 @@ class PairOxdnaStk : public Pair { virtual void compute(int, int); void settings(int, char **); void coeff(int, char **); + void init_style(); void init_list(int, class NeighList *); double init_one(int, int); void write_restart(FILE *); diff --git a/src/CG-DNA/pair_oxrna2_dh.cpp b/src/CG-DNA/pair_oxrna2_dh.cpp index 9ebbabbd1a..f19dbb249b 100644 --- a/src/CG-DNA/pair_oxrna2_dh.cpp +++ b/src/CG-DNA/pair_oxrna2_dh.cpp @@ -1,4 +1,3 @@ -// clang-format off /* ---------------------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator https://www.lammps.org/, Sandia National Laboratories @@ -19,30 +18,15 @@ using namespace LAMMPS_NS; -/* ---------------------------------------------------------------------- */ - -PairOxrna2Dh::PairOxrna2Dh(LAMMPS *lmp) : PairOxdna2Dh(lmp) -{ - -} - -/* ---------------------------------------------------------------------- */ - -PairOxrna2Dh::~PairOxrna2Dh() -{ - -} - /* ---------------------------------------------------------------------- compute vector COM-sugar-phosphate backbone interaction site in oxRNA2 ------------------------------------------------------------------------- */ -void PairOxrna2Dh::compute_interaction_sites(double e1[3], double /*e2*/[3], - double e3[3], double r[3]) +void PairOxrna2Dh::compute_interaction_sites(double e1[3], double /*e2*/[3], double e3[3], + double r[3]) { - double d_cs_x=-0.4, d_cs_z=+0.2; - - r[0] = d_cs_x*e1[0] + d_cs_z*e3[0]; - r[1] = d_cs_x*e1[1] + d_cs_z*e3[1]; - r[2] = d_cs_x*e1[2] + d_cs_z*e3[2]; + double d_cs_x = -0.4, d_cs_z = +0.2; + r[0] = d_cs_x * e1[0] + d_cs_z * e3[0]; + r[1] = d_cs_x * e1[1] + d_cs_z * e3[1]; + r[2] = d_cs_x * e1[2] + d_cs_z * e3[2]; } diff --git a/src/CG-DNA/pair_oxrna2_dh.h b/src/CG-DNA/pair_oxrna2_dh.h index 1b66cd82ca..016eb5378b 100644 --- a/src/CG-DNA/pair_oxrna2_dh.h +++ b/src/CG-DNA/pair_oxrna2_dh.h @@ -26,8 +26,8 @@ namespace LAMMPS_NS { class PairOxrna2Dh : public PairOxdna2Dh { public: - PairOxrna2Dh(class LAMMPS *); - virtual ~PairOxrna2Dh(); + PairOxrna2Dh(class LAMMPS *) : PairOxdna2Dh(lmp) {} + virtual ~PairOxrna2Dh() {} virtual void compute_interaction_sites(double *, double *, double *, double *); }; diff --git a/src/CG-DNA/pair_oxrna2_excv.cpp b/src/CG-DNA/pair_oxrna2_excv.cpp index 0e0535f0a0..2c1e4ca89f 100644 --- a/src/CG-DNA/pair_oxrna2_excv.cpp +++ b/src/CG-DNA/pair_oxrna2_excv.cpp @@ -21,20 +21,6 @@ using namespace LAMMPS_NS; -/* ---------------------------------------------------------------------- */ - -PairOxrna2Excv::PairOxrna2Excv(LAMMPS *lmp) : PairOxdnaExcv(lmp) -{ - -} - -/* ---------------------------------------------------------------------- */ - -PairOxrna2Excv::~PairOxrna2Excv() -{ - -} - /* ---------------------------------------------------------------------- compute vector COM-excluded volume interaction sites in oxRNA2 ------------------------------------------------------------------------- */ diff --git a/src/CG-DNA/pair_oxrna2_excv.h b/src/CG-DNA/pair_oxrna2_excv.h index 90537f865e..8e671f0b7a 100644 --- a/src/CG-DNA/pair_oxrna2_excv.h +++ b/src/CG-DNA/pair_oxrna2_excv.h @@ -26,8 +26,8 @@ namespace LAMMPS_NS { class PairOxrna2Excv : public PairOxdnaExcv { public: - PairOxrna2Excv(class LAMMPS *); - virtual ~PairOxrna2Excv(); + PairOxrna2Excv(class LAMMPS *) : PairOxdnaExcv(lmp) {} + virtual ~PairOxrna2Excv() {} virtual void compute_interaction_sites(double *, double *, double *, double *, double *); }; diff --git a/src/CG-DNA/pair_oxrna2_hbond.cpp b/src/CG-DNA/pair_oxrna2_hbond.cpp index 31f50816aa..dfa9997af3 100644 --- a/src/CG-DNA/pair_oxrna2_hbond.cpp +++ b/src/CG-DNA/pair_oxrna2_hbond.cpp @@ -1,4 +1,3 @@ -// clang-format off /* ---------------------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator https://www.lammps.org/, Sandia National Laboratories @@ -48,12 +47,4 @@ PairOxrna2Hbond::PairOxrna2Hbond(LAMMPS *lmp) : PairOxdnaHbond(lmp) alpha_hb[3][1] = 1.00000; alpha_hb[3][2] = 0.58655; alpha_hb[3][3] = 1.00000; - -} - -/* ---------------------------------------------------------------------- */ - -PairOxrna2Hbond::~PairOxrna2Hbond() -{ - } diff --git a/src/CG-DNA/pair_oxrna2_hbond.h b/src/CG-DNA/pair_oxrna2_hbond.h index ed96bda744..fe213c5615 100644 --- a/src/CG-DNA/pair_oxrna2_hbond.h +++ b/src/CG-DNA/pair_oxrna2_hbond.h @@ -27,7 +27,7 @@ namespace LAMMPS_NS { class PairOxrna2Hbond : public PairOxdnaHbond { public: PairOxrna2Hbond(class LAMMPS *); - virtual ~PairOxrna2Hbond(); + virtual ~PairOxrna2Hbond() {} }; } // namespace LAMMPS_NS diff --git a/src/CG-DNA/pair_oxrna2_stk.cpp b/src/CG-DNA/pair_oxrna2_stk.cpp index 8353a22463..b6b68662d5 100644 --- a/src/CG-DNA/pair_oxrna2_stk.cpp +++ b/src/CG-DNA/pair_oxrna2_stk.cpp @@ -19,6 +19,7 @@ #include "atom.h" #include "atom_vec_ellipsoid.h" +#include "atom_vec_oxdna.h" #include "comm.h" #include "error.h" #include "force.h" @@ -44,26 +45,26 @@ PairOxrna2Stk::PairOxrna2Stk(LAMMPS *lmp) : Pair(lmp) writedata = 1; // sequence-specific stacking strength - // A:0 C:1 G:2 U:3, 5'- [i][j] -3' + // A:0 C:1 G:2 U:3, 3'- [i][j] -5' eta_st[0][0] = 0.93851; - eta_st[0][1] = 1.12901; - eta_st[0][2] = 1.15626; - eta_st[0][3] = 0.88850; + eta_st[1][0] = 1.12901; + eta_st[2][0] = 1.15626; + eta_st[3][0] = 0.88850; - eta_st[1][0] = 0.86331; + eta_st[0][1] = 0.86331; eta_st[1][1] = 1.05060; - eta_st[1][2] = 0.90982; - eta_st[1][3] = 0.83252; + eta_st[2][1] = 0.90982; + eta_st[3][1] = 0.83252; - eta_st[2][0] = 0.99407; - eta_st[2][1] = 1.14333; + eta_st[0][2] = 0.99407; + eta_st[1][2] = 1.14333; eta_st[2][2] = 1.06573; - eta_st[2][3] = 0.91705; + eta_st[3][2] = 0.91705; - eta_st[3][0] = 0.98804; - eta_st[3][1] = 1.04949; - eta_st[3][2] = 1.12063; + eta_st[0][3] = 0.98804; + eta_st[1][3] = 1.04949; + eta_st[2][3] = 1.12063; eta_st[3][3] = 0.83818; } @@ -261,11 +262,13 @@ void PairOxrna2Stk::compute(int eflag, int vflag) int **bondlist = neighbor->bondlist; int nbondlist = neighbor->nbondlist; + tagint *id5p = atom->id5p; + AtomVecEllipsoid *avec = (AtomVecEllipsoid *) atom->style_match("ellipsoid"); AtomVecEllipsoid::Bonus *bonus = avec->bonus; int *ellipsoid = atom->ellipsoid; - int a,b,in,atype,btype; + int a,b,btemp,in,atype,btype; double f1,f4t5,f4t6,f4t9,f4t10,f5c1,f5c2; double df1,df4t5,df4t6,df4t9,df4t10,df5c1,df5c2; @@ -278,62 +281,43 @@ void PairOxrna2Stk::compute(int eflag, int vflag) for (in = 0; in < nbondlist; in++) { - a = bondlist[in][1]; - b = bondlist[in][0]; + a = bondlist[in][0]; + b = bondlist[in][1]; + + // directionality test: a -> b is 3' -> 5' + if(atom->tag[b] != id5p[a]) { + + btemp = b; + b = a; + a = btemp; + + } + + // a now in 3' direction, b in 5' direction qa=bonus[ellipsoid[a]].quat; MathExtra::q_to_exyz(qa,ax,ay,az); qb=bonus[ellipsoid[b]].quat; MathExtra::q_to_exyz(qb,bx,by,bz); - // vector COM a - 3'-stacking site a - ra_cst[0] = d_cst_x_3p*ax[0] + d_cst_y_3p*ay[0]; - ra_cst[1] = d_cst_x_3p*ax[1] + d_cst_y_3p*ay[1]; - ra_cst[2] = d_cst_x_3p*ax[2] + d_cst_y_3p*ay[2]; + // vector COM a - 5'-stacking site a + ra_cst[0] = d_cst_x_5p*ax[0] + d_cst_y_5p*ay[0]; + ra_cst[1] = d_cst_x_5p*ax[1] + d_cst_y_5p*ay[1]; + ra_cst[2] = d_cst_x_5p*ax[2] + d_cst_y_5p*ay[2]; - // vector COM b - 5'-stacking site b - rb_cst[0] = d_cst_x_5p*bx[0] + d_cst_y_5p*by[0]; - rb_cst[1] = d_cst_x_5p*bx[1] + d_cst_y_5p*by[1]; - rb_cst[2] = d_cst_x_5p*bx[2] + d_cst_y_5p*by[2]; + // vector COM b - 3'-stacking site b + rb_cst[0] = d_cst_x_3p*bx[0] + d_cst_y_3p*by[0]; + rb_cst[1] = d_cst_x_3p*bx[1] + d_cst_y_3p*by[1]; + rb_cst[2] = d_cst_x_3p*bx[2] + d_cst_y_3p*by[2]; - // vector 5'-stacking site b to 3'-stacking site a - delr_st[0] = x[a][0] + ra_cst[0] - x[b][0] - rb_cst[0]; - delr_st[1] = x[a][1] + ra_cst[1] - x[b][1] - rb_cst[1]; - delr_st[2] = x[a][2] + ra_cst[2] - x[b][2] - rb_cst[2]; + // vector 5'-stacking site a to 3'-stacking site b + delr_st[0] = x[b][0] + rb_cst[0] - x[a][0] - ra_cst[0]; + delr_st[1] = x[b][1] + rb_cst[1] - x[a][1] - ra_cst[1]; + delr_st[2] = x[b][2] + rb_cst[2] - x[a][2] - ra_cst[2]; - // test for directionality of vector b to a - tptofp = MFOxdna::is_3pto5p(delr_st,bz); - - // if b to a is 5' to 3' we need to swap roles of a and b - if (tptofp == -1) { - - std::swap(a,b); - std::swap(ax,bx); - std::swap(ay,by); - std::swap(az,bz); - - } - - // a now in 5' direction, b in 3' direction atype = type[a]; btype = type[b]; - // calculate again - // vector COM a - 3'-stacking site a - ra_cst[0] = d_cst_x_3p*ax[0] + d_cst_y_3p*ay[0]; - ra_cst[1] = d_cst_x_3p*ax[1] + d_cst_y_3p*ay[1]; - ra_cst[2] = d_cst_x_3p*ax[2] + d_cst_y_3p*ay[2]; - - // vector COM b - 5'-stacking site b - rb_cst[0] = d_cst_x_5p*bx[0] + d_cst_y_5p*by[0]; - rb_cst[1] = d_cst_x_5p*bx[1] + d_cst_y_5p*by[1]; - rb_cst[2] = d_cst_x_5p*bx[2] + d_cst_y_5p*by[2]; - - // vector 5'-stacking site b to 3'-stacking site a - delr_st[0] = x[a][0] + ra_cst[0] - x[b][0] - rb_cst[0]; - delr_st[1] = x[a][1] + ra_cst[1] - x[b][1] - rb_cst[1]; - delr_st[2] = x[a][2] + ra_cst[2] - x[b][2] - rb_cst[2]; - rsq_st = delr_st[0]*delr_st[0] + delr_st[1]*delr_st[1] + delr_st[2]*delr_st[2]; r_st = sqrt(rsq_st); rinv_st = 1.0/r_st; @@ -352,10 +336,10 @@ void PairOxrna2Stk::compute(int eflag, int vflag) rb_cs[1] = d_cs_x*bx[1] + d_cs_z*bz[1]; rb_cs[2] = d_cs_x*bx[2] + d_cs_z*bz[2]; - // vector backbone site b to a - delr_ss[0] = (x[a][0] + ra_cs[0] - x[b][0] - rb_cs[0]); - delr_ss[1] = (x[a][1] + ra_cs[1] - x[b][1] - rb_cs[1]); - delr_ss[2] = (x[a][2] + ra_cs[2] - x[b][2] - rb_cs[2]); + // vector backbone site a to b + delr_ss[0] = (x[b][0] + rb_cs[0] - x[a][0] - ra_cs[0]); + delr_ss[1] = (x[b][1] + rb_cs[1] - x[a][1] - ra_cs[1]); + delr_ss[2] = (x[b][2] + rb_cs[2] - x[a][2] - ra_cs[2]); rsq_ss = delr_ss[0]*delr_ss[0] + delr_ss[1]*delr_ss[1] + delr_ss[2]*delr_ss[2]; r_ss = sqrt(rsq_ss); @@ -373,7 +357,7 @@ void PairOxrna2Stk::compute(int eflag, int vflag) if (f1) { // theta5 angle and correction - cost5p = MathExtra::dot3(delr_st_norm,az); + cost5p = MathExtra::dot3(delr_st_norm,bz); if (cost5p > 1.0) cost5p = 1.0; if (cost5p < -1.0) cost5p = -1.0; theta5p = acos(cost5p); @@ -384,18 +368,18 @@ void PairOxrna2Stk::compute(int eflag, int vflag) // early rejection criterium if (f4t5) { - cost6p = MathExtra::dot3(delr_st_norm,bz); + cost6p = MathExtra::dot3(delr_st_norm,az); if (cost6p > 1.0) cost6p = 1.0; if (cost6p < -1.0) cost6p = -1.0; theta6p = acos(cost6p); - aux3p[0] = d3p_x * ax[0] + d3p_y * ay[0] + d3p_z * az[0]; - aux3p[1] = d3p_x * ax[1] + d3p_y * ay[1] + d3p_z * az[1]; - aux3p[2] = d3p_x * ax[2] + d3p_y * ay[2] + d3p_z * az[2]; + aux5p[0] = d5p_x * ax[0] + d5p_y * ay[0] + d5p_z * az[0]; + aux5p[1] = d5p_x * ax[1] + d5p_y * ay[1] + d5p_z * az[1]; + aux5p[2] = d5p_x * ax[2] + d5p_y * ay[2] + d5p_z * az[2]; - aux5p[0] = d5p_x * bx[0] + d5p_y * by[0] + d5p_z * bz[0]; - aux5p[1] = d5p_x * bx[1] + d5p_y * by[1] + d5p_z * bz[1]; - aux5p[2] = d5p_x * bx[2] + d5p_y * by[2] + d5p_z * bz[2]; + aux3p[0] = d3p_x * bx[0] + d3p_y * by[0] + d3p_z * bz[0]; + aux3p[1] = d3p_x * bx[1] + d3p_y * by[1] + d3p_z * bz[1]; + aux3p[2] = d3p_x * bx[2] + d3p_y * by[2] + d3p_z * bz[2]; cost9 = MathExtra::dot3(delr_ss_norm,aux3p); if (cost9 > 1.0) cost9 = 1.0; @@ -407,11 +391,11 @@ void PairOxrna2Stk::compute(int eflag, int vflag) if (cost10 < -1.0) cost10 = -1.0; theta10 = acos(cost10); - cosphi1 = MathExtra::dot3(delr_ss_norm,ay); + cosphi1 = MathExtra::dot3(delr_ss_norm,by); if (cosphi1 > 1.0) cosphi1 = 1.0; if (cosphi1 < -1.0) cosphi1 = -1.0; - cosphi2 = MathExtra::dot3(delr_ss_norm,by); + cosphi2 = MathExtra::dot3(delr_ss_norm,ay); if (cosphi2 > 1.0) cosphi2 = 1.0; if (cosphi2 < -1.0) cosphi2 = -1.0; @@ -425,10 +409,10 @@ void PairOxrna2Stk::compute(int eflag, int vflag) b_st10[atype][btype], dtheta_st10_c[atype][btype]); f5c1 = F5(-cosphi1, a_st1[atype][btype], -cosphi_st1_ast[atype][btype], b_st1[atype][btype], - cosphi_st1_c[atype][btype]); + -cosphi_st1_c[atype][btype]); f5c2 = F5(-cosphi2, a_st2[atype][btype], -cosphi_st2_ast[atype][btype], b_st2[atype][btype], - cosphi_st2_c[atype][btype]); + -cosphi_st2_c[atype][btype]); evdwl = f1 * f4t5 * f4t6 * f4t9 * f4t10 * f5c1 * f5c2; @@ -453,10 +437,10 @@ void PairOxrna2Stk::compute(int eflag, int vflag) b_st10[atype][btype], dtheta_st10_c[atype][btype])/sin(theta10); df5c1 = DF5(-cosphi1, a_st1[atype][btype], -cosphi_st1_ast[atype][btype], b_st1[atype][btype], - cosphi_st1_c[atype][btype]); + -cosphi_st1_c[atype][btype]); df5c2 = DF5(-cosphi2, a_st2[atype][btype], -cosphi_st2_ast[atype][btype], b_st2[atype][btype], - cosphi_st2_c[atype][btype]); + -cosphi_st2_c[atype][btype]); // force, torque and virial contribution for forces between stacking sites @@ -489,9 +473,9 @@ void PairOxrna2Stk::compute(int eflag, int vflag) finc = -f1 * df4t5 * f4t6 * f4t9 * f4t10 * f5c1 * f5c2 * rinv_st; fpair += finc; - delf[0] += (delr_st_norm[0]*cost5p - az[0]) * finc; - delf[1] += (delr_st_norm[1]*cost5p - az[1]) * finc; - delf[2] += (delr_st_norm[2]*cost5p - az[2]) * finc; + delf[0] += (delr_st_norm[0]*cost5p - bz[0]) * finc; + delf[1] += (delr_st_norm[1]*cost5p - bz[1]) * finc; + delf[2] += (delr_st_norm[2]*cost5p - bz[2]) * finc; } @@ -501,28 +485,27 @@ void PairOxrna2Stk::compute(int eflag, int vflag) finc = -f1 * f4t5 * df4t6 * f4t9 * f4t10 * f5c1 * f5c2 * rinv_st; fpair += finc; - delf[0] += (delr_st_norm[0]*cost6p - bz[0]) * finc; - delf[1] += (delr_st_norm[1]*cost6p - bz[1]) * finc; - delf[2] += (delr_st_norm[2]*cost6p - bz[2]) * finc; + delf[0] += (delr_st_norm[0]*cost6p - az[0]) * finc; + delf[1] += (delr_st_norm[1]*cost6p - az[1]) * finc; + delf[2] += (delr_st_norm[2]*cost6p - az[2]) * finc; } // increment forces and torques - if (newton_bond || a < nlocal) { - f[a][0] += delf[0]; - f[a][1] += delf[1]; - f[a][2] += delf[2]; + f[a][0] -= delf[0]; + f[a][1] -= delf[1]; + f[a][2] -= delf[2]; MathExtra::cross3(ra_cst,delf,delta); } if (newton_bond || b < nlocal) { - f[b][0] -= delf[0]; - f[b][1] -= delf[1]; - f[b][2] -= delf[2]; + f[b][0] += delf[0]; + f[b][1] += delf[1]; + f[b][2] += delf[2]; MathExtra::cross3(rb_cst,delf,deltb); @@ -530,16 +513,16 @@ void PairOxrna2Stk::compute(int eflag, int vflag) if (newton_bond || a < nlocal) { - torque[a][0] += delta[0]; - torque[a][1] += delta[1]; - torque[a][2] += delta[2]; + torque[a][0] -= delta[0]; + torque[a][1] -= delta[1]; + torque[a][2] -= delta[2]; } if (newton_bond || b < nlocal) { - torque[b][0] -= deltb[0]; - torque[b][1] -= deltb[1]; - torque[b][2] -= deltb[2]; + torque[b][0] += deltb[0]; + torque[b][1] += deltb[1]; + torque[b][2] += deltb[2]; } @@ -547,8 +530,8 @@ void PairOxrna2Stk::compute(int eflag, int vflag) // NOTE: The virial is calculated on the 'molecular' basis. // (see G. Ciccotti and J.P. Ryckaert, Comp. Phys. Rep. 4, 345-392 (1986)) - if (evflag) ev_tally_xyz(a,b,nlocal,newton_bond,evdwl, - delf[0],delf[1],delf[2],x[a][0]-x[b][0],x[a][1]-x[b][1],x[a][2]-x[b][2]); + if (evflag) ev_tally_xyz(b,a,nlocal,newton_bond,evdwl, + delf[0],delf[1],delf[2],x[b][0]-x[a][0],x[b][1]-x[a][1],x[b][2]-x[a][2]); // force, torque and virial contribution for forces between backbone sites @@ -596,9 +579,9 @@ void PairOxrna2Stk::compute(int eflag, int vflag) finc = -f1 * f4t5 * f4t6 * f4t9 * f4t10 * df5c1 * f5c2 * rinv_ss; fpair += finc; - delf[0] += (delr_ss_norm[0]*cosphi1 - ay[0]) * finc; - delf[1] += (delr_ss_norm[1]*cosphi1 - ay[1]) * finc; - delf[2] += (delr_ss_norm[2]*cosphi1 - ay[2]) * finc; + delf[0] += (delr_ss_norm[0]*cosphi1 - by[0]) * finc; + delf[1] += (delr_ss_norm[1]*cosphi1 - by[1]) * finc; + delf[2] += (delr_ss_norm[2]*cosphi1 - by[2]) * finc; } @@ -608,28 +591,27 @@ void PairOxrna2Stk::compute(int eflag, int vflag) finc = -f1 * f4t5 * f4t6 * f4t9 * f4t10 * f5c1 * df5c2 * rinv_ss; fpair += finc; - delf[0] += (delr_ss_norm[0]*cosphi2 - by[0]) * finc; - delf[1] += (delr_ss_norm[1]*cosphi2 - by[1]) * finc; - delf[2] += (delr_ss_norm[2]*cosphi2 - by[2]) * finc; + delf[0] += (delr_ss_norm[0]*cosphi2 - ay[0]) * finc; + delf[1] += (delr_ss_norm[1]*cosphi2 - ay[1]) * finc; + delf[2] += (delr_ss_norm[2]*cosphi2 - ay[2]) * finc; } // increment forces and torques - if (newton_bond || a < nlocal) { - f[a][0] += delf[0]; - f[a][1] += delf[1]; - f[a][2] += delf[2]; + f[a][0] -= delf[0]; + f[a][1] -= delf[1]; + f[a][2] -= delf[2]; MathExtra::cross3(ra_cs,delf,delta); } if (newton_bond || b < nlocal) { - f[b][0] -= delf[0]; - f[b][1] -= delf[1]; - f[b][2] -= delf[2]; + f[b][0] += delf[0]; + f[b][1] += delf[1]; + f[b][2] += delf[2]; MathExtra::cross3(rb_cs,delf,deltb); @@ -637,22 +619,22 @@ void PairOxrna2Stk::compute(int eflag, int vflag) if (newton_bond || a < nlocal) { - torque[a][0] += delta[0]; - torque[a][1] += delta[1]; - torque[a][2] += delta[2]; + torque[a][0] -= delta[0]; + torque[a][1] -= delta[1]; + torque[a][2] -= delta[2]; } if (newton_bond || b < nlocal) { - torque[b][0] -= deltb[0]; - torque[b][1] -= deltb[1]; - torque[b][2] -= deltb[2]; + torque[b][0] += deltb[0]; + torque[b][1] += deltb[1]; + torque[b][2] += deltb[2]; } // increment virial only - if (evflag) ev_tally_xyz(a,b,nlocal,newton_bond,0.0, - delf[0],delf[1],delf[2],x[a][0]-x[b][0],x[a][1]-x[b][1],x[a][2]-x[b][2]); + if (evflag) ev_tally_xyz(b,a,nlocal,newton_bond,0.0, + delf[0],delf[1],delf[2],x[b][0]-x[a][0],x[b][1]-x[a][1],x[b][2]-x[a][2]); // pure torques not expressible as r x f @@ -667,11 +649,11 @@ void PairOxrna2Stk::compute(int eflag, int vflag) if (theta5p) { tpair = -f1 * df4t5 * f4t6 * f4t9 * f4t10 * f5c1 * f5c2; - MathExtra::cross3(delr_st_norm,az,t5pdir); + MathExtra::cross3(delr_st_norm,bz,t5pdir); - delta[0] += t5pdir[0] * tpair; - delta[1] += t5pdir[1] * tpair; - delta[2] += t5pdir[2] * tpair; + deltb[0] += t5pdir[0] * tpair; + deltb[1] += t5pdir[1] * tpair; + deltb[2] += t5pdir[2] * tpair; } @@ -679,11 +661,11 @@ void PairOxrna2Stk::compute(int eflag, int vflag) if (theta6p) { tpair = -f1 * f4t5 * df4t6 * f4t9 * f4t10 * f5c1 * f5c2; - MathExtra::cross3(delr_st_norm,bz,t6pdir); + MathExtra::cross3(delr_st_norm,az,t6pdir); - deltb[0] -= t6pdir[0] * tpair; - deltb[1] -= t6pdir[1] * tpair; - deltb[2] -= t6pdir[2] * tpair; + delta[0] -= t6pdir[0] * tpair; + delta[1] -= t6pdir[1] * tpair; + delta[2] -= t6pdir[2] * tpair; } @@ -693,9 +675,9 @@ void PairOxrna2Stk::compute(int eflag, int vflag) tpair = -f1 * f4t5 * f4t6 * df4t9 * f4t10 * f5c1 * f5c2; MathExtra::cross3(delr_ss_norm,aux3p,t9dir); - delta[0] += t9dir[0] * tpair; - delta[1] += t9dir[1] * tpair; - delta[2] += t9dir[2] * tpair; + deltb[0] += t9dir[0] * tpair; + deltb[1] += t9dir[1] * tpair; + deltb[2] += t9dir[2] * tpair; } @@ -705,9 +687,9 @@ void PairOxrna2Stk::compute(int eflag, int vflag) tpair = -f1 * f4t5 * f4t6 * f4t9 * df4t10 * f5c1 * f5c2; MathExtra::cross3(delr_ss_norm,aux5p,t10dir); - deltb[0] -= t10dir[0] * tpair; - deltb[1] -= t10dir[1] * tpair; - deltb[2] -= t10dir[2] * tpair; + delta[0] -= t10dir[0] * tpair; + delta[1] -= t10dir[1] * tpair; + delta[2] -= t10dir[2] * tpair; } @@ -715,11 +697,11 @@ void PairOxrna2Stk::compute(int eflag, int vflag) if (cosphi1) { tpair = -f1 * f4t5 * f4t6 * f4t9 * f4t10 * df5c1 * f5c2; - MathExtra::cross3(delr_ss_norm,ay,cosphi1dir); + MathExtra::cross3(delr_ss_norm,by,cosphi1dir); - delta[0] += cosphi1dir[0] * tpair; - delta[1] += cosphi1dir[1] * tpair; - delta[2] += cosphi1dir[2] * tpair; + deltb[0] += cosphi1dir[0] * tpair; + deltb[1] += cosphi1dir[1] * tpair; + deltb[2] += cosphi1dir[2] * tpair; } @@ -727,27 +709,27 @@ void PairOxrna2Stk::compute(int eflag, int vflag) if (cosphi2) { tpair = -f1 * f4t5 * f4t6 * f4t9 * f4t10 * f5c1 * df5c2; - MathExtra::cross3(delr_ss_norm,by,cosphi2dir); + MathExtra::cross3(delr_ss_norm,ay,cosphi2dir); - deltb[0] -= cosphi2dir[0] * tpair; - deltb[1] -= cosphi2dir[1] * tpair; - deltb[2] -= cosphi2dir[2] * tpair; + delta[0] -= cosphi2dir[0] * tpair; + delta[1] -= cosphi2dir[1] * tpair; + delta[2] -= cosphi2dir[2] * tpair; } // increment torques if (newton_bond || a < nlocal) { - torque[a][0] += delta[0]; - torque[a][1] += delta[1]; - torque[a][2] += delta[2]; + torque[a][0] -= delta[0]; + torque[a][1] -= delta[1]; + torque[a][2] -= delta[2]; } if (newton_bond || b < nlocal) { - torque[b][0] -= deltb[0]; - torque[b][1] -= deltb[1]; - torque[b][2] -= deltb[2]; + torque[b][0] += deltb[0]; + torque[b][1] += deltb[1]; + torque[b][2] += deltb[2]; } @@ -1027,6 +1009,17 @@ void PairOxrna2Stk::coeff(int narg, char **arg) } +/* ---------------------------------------------------------------------- + atom_style hybrid bond ellipsoid oxdna required +------------------------------------------------------------------------- */ + +void PairOxrna2Stk::init_style() +{ + if (!atom->style_match("oxdna")) { + error->all(FLERR,"Must use 'atom_style hybrid bond ellipsoid oxdna' with pair style oxdna/stk, oxdna2/stk or oxrna2/stk"); + } +} + /* ---------------------------------------------------------------------- neighbor callback to inform pair style of neighbor list to use regular ------------------------------------------------------------------------- */ diff --git a/src/CG-DNA/pair_oxrna2_stk.h b/src/CG-DNA/pair_oxrna2_stk.h index 7648dd207d..23650c98b5 100644 --- a/src/CG-DNA/pair_oxrna2_stk.h +++ b/src/CG-DNA/pair_oxrna2_stk.h @@ -31,6 +31,7 @@ class PairOxrna2Stk : public Pair { virtual void compute(int, int); void settings(int, char **); void coeff(int, char **); + void init_style(); void init_list(int, class NeighList *); double init_one(int, int); void write_restart(FILE *); diff --git a/src/KOKKOS/pair_snap_kokkos_impl.h b/src/KOKKOS/pair_snap_kokkos_impl.h index 34dffacca8..30a4082711 100644 --- a/src/KOKKOS/pair_snap_kokkos_impl.h +++ b/src/KOKKOS/pair_snap_kokkos_impl.h @@ -30,6 +30,7 @@ #include "neighbor_kokkos.h" #include "kokkos.h" #include "sna.h" +#include "comm.h" #define MAXLINE 1024 #define MAXWORD 3 @@ -86,6 +87,16 @@ PairSNAPKokkos::~PairSNAPKokkos() template void PairSNAPKokkos::init_style() { + if (host_flag) { + if (lmp->kokkos->nthreads > 1) + if (comm->me == 0) + utils::logmesg(lmp,"Pair style snap/kk currently only runs on a single " + "CPU thread, even if more threads are requested\n"); + + PairSNAP::init_style(); + return; + } + if (force->newton_pair == 0) error->all(FLERR,"Pair style SNAP requires newton pair on"); @@ -133,6 +144,13 @@ struct FindMaxNumNeighs { template void PairSNAPKokkos::compute(int eflag_in, int vflag_in) { + if (host_flag) { + atomKK->sync(Host,X_MASK|TYPE_MASK); + PairSNAP::compute(eflag_in,vflag_in); + atomKK->modified(Host,F_MASK); + return; + } + eflag = eflag_in; vflag = vflag_in; diff --git a/src/MC/fix_gcmc.cpp b/src/MC/fix_gcmc.cpp index 6598890ea4..fc1b1c03db 100644 --- a/src/MC/fix_gcmc.cpp +++ b/src/MC/fix_gcmc.cpp @@ -1230,7 +1230,7 @@ void FixGCMC::attempt_molecule_deletion() // work-around to avoid n=0 problem with fix rigid/nvt/small - if (ngas == natoms_per_molecule) return; + if (rigidflag && ngas == natoms_per_molecule) return; tagint deletion_molecule = pick_random_gas_molecule(); if (deletion_molecule == -1) return; @@ -1900,7 +1900,7 @@ void FixGCMC::attempt_molecule_deletion_full() // work-around to avoid n=0 problem with fix rigid/nvt/small - if (ngas == natoms_per_molecule) return; + if (rigidflag && ngas == natoms_per_molecule) return; tagint deletion_molecule = pick_random_gas_molecule(); if (deletion_molecule == -1) return; diff --git a/src/atom.cpp b/src/atom.cpp index 6c93161dfd..6063398f40 100644 --- a/src/atom.cpp +++ b/src/atom.cpp @@ -169,6 +169,10 @@ Atom::Atom(LAMMPS *lmp) : Pointers(lmp) cs = csforce = vforce = nullptr; etag = nullptr; + // CG-DNA package + + id5p = nullptr; + // DPD-REACT package uCond = uMech = uChem = uCG = uCGnew = nullptr; @@ -472,6 +476,10 @@ void Atom::peratom_create() add_peratom("ervelforce",&ervelforce,DOUBLE,0); add_peratom("etag",&etag,INT,0); + // CG-DNA package + + add_peratom("id5p",&id5p,tagintsize,0); + // DPD-REACT package add_peratom("dpdTheta",&dpdTheta,DOUBLE,0); @@ -1280,6 +1288,7 @@ void Atom::data_bonds(int n, char *buf, int *count, tagint id_offset, bond_type[m][num_bond[m]] = itype; bond_atom[m][num_bond[m]] = atom2; num_bond[m]++; + avec->data_bonds_post(m, num_bond[m], atom1, atom2, id_offset); } } if (newton_bond == 0) { @@ -1289,6 +1298,7 @@ void Atom::data_bonds(int n, char *buf, int *count, tagint id_offset, bond_type[m][num_bond[m]] = itype; bond_atom[m][num_bond[m]] = atom1; num_bond[m]++; + avec->data_bonds_post(m, num_bond[m], atom1, atom2, id_offset); } } } diff --git a/src/atom.h b/src/atom.h index c7273e1ff5..daf2f04f8a 100644 --- a/src/atom.h +++ b/src/atom.h @@ -122,6 +122,10 @@ class Atom : protected Pointers { double **cs, **csforce, **vforce; int *etag; + // CG-DNA package + + tagint *id5p; + // DPD-REACT package double *uCond, *uMech, *uChem, *uCGnew, *uCG; diff --git a/src/atom_vec.h b/src/atom_vec.h index a65fd17dcd..ad3b4c6626 100644 --- a/src/atom_vec.h +++ b/src/atom_vec.h @@ -129,6 +129,8 @@ class AtomVec : protected Pointers { virtual void data_atom_bonus(int, char **) {} virtual void data_body(int, int, int, int *, double *) {} + virtual void data_bonds_post(int, int , tagint, tagint, tagint) {} + virtual void pack_data(double **); virtual void write_data(FILE *, int, double **); virtual void pack_data_pre(int) {} diff --git a/src/atom_vec_hybrid.cpp b/src/atom_vec_hybrid.cpp index 4327420cee..0bffde2129 100644 --- a/src/atom_vec_hybrid.cpp +++ b/src/atom_vec_hybrid.cpp @@ -438,6 +438,17 @@ void AtomVecHybrid::data_atom_post(int ilocal) styles[k]->data_atom_post(ilocal); } +/* ---------------------------------------------------------------------- + modify what AtomVec::data_bonds() just unpacked + or initialize other bond quantities +------------------------------------------------------------------------- */ +void AtomVecHybrid::data_bonds_post(int m, int num_bond, tagint atom1, + tagint atom2, tagint id_offset) +{ + for (int k = 0; k < nstyles; k++) + styles[k]->data_bonds_post(m, num_bond, atom1, atom2, id_offset); +} + /* ---------------------------------------------------------------------- modify values for AtomVec::pack_data() to pack ------------------------------------------------------------------------- */ diff --git a/src/atom_vec_hybrid.h b/src/atom_vec_hybrid.h index 3c804a462c..949ae37319 100644 --- a/src/atom_vec_hybrid.h +++ b/src/atom_vec_hybrid.h @@ -55,6 +55,9 @@ class AtomVecHybrid : public AtomVec { void unpack_restart_init(int); void create_atom_post(int); void data_atom_post(int); + + void data_bonds_post(int, int, tagint, tagint, tagint); + void pack_data_pre(int); void pack_data_post(int);