From 4b988b8cdfdb2e83883e375cf6f67c7df3a565bb Mon Sep 17 00:00:00 2001 From: "Ronald E. Miller" Date: Mon, 24 Sep 2018 11:30:06 -0400 Subject: [PATCH] clean up whitespace, indentation, isolate all cauchystat-related code, remove extraneous examples --- examples/cauchystat/Al_shear_PR/lammps.in | 69 - examples/cauchystat/NiAl_cool/input.dat | 6009 ----------------- examples/cauchystat/NiAl_cool/lammps.in | 45 - .../cauchystat/NiAl_slow_stretch_CS/input.dat | 6009 ----------------- .../cauchystat/NiAl_slow_stretch_CS/lammps.in | 45 - .../cauchystat/NiAl_slow_stretch_PR/input.dat | 6009 ----------------- .../cauchystat/NiAl_slow_stretch_PR/lammps.in | 45 - examples/cauchystat/NiAl_stretch/input.dat | 6009 ----------------- examples/cauchystat/NiAl_stretch/lammps.in | 48 - examples/cauchystat/README | 42 +- .../cauchystat/{Al_shear_CS => }/lammps.in | 8 +- src/fix_nh.cpp | 622 +- src/fix_nh.h | 16 +- 13 files changed, 323 insertions(+), 24653 deletions(-) delete mode 100644 examples/cauchystat/Al_shear_PR/lammps.in delete mode 100644 examples/cauchystat/NiAl_cool/input.dat delete mode 100644 examples/cauchystat/NiAl_cool/lammps.in delete mode 100644 examples/cauchystat/NiAl_slow_stretch_CS/input.dat delete mode 100644 examples/cauchystat/NiAl_slow_stretch_CS/lammps.in delete mode 100644 examples/cauchystat/NiAl_slow_stretch_PR/input.dat delete mode 100644 examples/cauchystat/NiAl_slow_stretch_PR/lammps.in delete mode 100644 examples/cauchystat/NiAl_stretch/input.dat delete mode 100644 examples/cauchystat/NiAl_stretch/lammps.in rename examples/cauchystat/{Al_shear_CS => }/lammps.in (87%) diff --git a/examples/cauchystat/Al_shear_PR/lammps.in b/examples/cauchystat/Al_shear_PR/lammps.in deleted file mode 100644 index b79d18853b..0000000000 --- a/examples/cauchystat/Al_shear_PR/lammps.in +++ /dev/null @@ -1,69 +0,0 @@ -units metal -atom_style atomic -atom_modify map array - -processors 1 1 1 - -# Box and atom positions: -boundary p p p - -# Defining lattice and creating simulation -# box with atoms inside -lattice fcc 4.05 -region simbox prism 0 5 0 5 0 5 0 0 0 units lattice -create_box 2 simbox -create_atoms 2 box - -# Atomic mass: -mass 1 58.69 -mass 2 26.98154 - -# Potential, Al fcc crystal -pair_style eam/alloy -pair_coeff * * ../Mishin-Ni-Al-2009.eam.alloy Ni Al - - -thermo 100 -thermo_style custom step temp pxx pyy pzz pxy pxz pyz -compute cna all cna/atom 2.8 - -fix 1 all npt temp 600.0 600.0 1.0 x 0.0 0.0 0.1 y 0.0 0.0 0.1 z 0.0 0.0 0.1 couple none - -dump 1 all cfg 1000 test*.cfg mass type xs ys zs type c_cna - -timestep 0.002 - -variable px equal pxx -variable py equal pyy -variable pz equal pzz -variable sxy equal pxy -variable sxz equal pxz -variable syz equal pyz -variable t equal temp - -fix avg all ave/time 1 100 100 v_t v_px v_py v_pz v_sxy v_sxz v_syz file avg.txt - -variable lx equal lx -variable ly equal ly -variable lz equal ly -variable xy equal xy -variable xz equal xz -variable yz equal yz - -fix box all ave/time 1 100 100 v_lx v_ly v_lz v_xy v_xz v_yz file box.txt - -velocity all create 1200 4928459 rot yes dist gaussian - -run 10000 - -unfix 1 - -fix 1 all npt temp 600.0 600.0 1.0 x 0.0 0.0 0.1 y 0.0 0.0 0.1 z 0.0 0.0 0.1 xy -10000.0 -10000.0 0.1 couple none - -run 10000 - -unfix 1 - -fix 1 all npt temp 600.0 600.0 1.0 x 0.0 0.0 0.1 y 0.0 0.0 0.1 z 0.0 0.0 0.1 xy -10000.0 -10000.0 0.1 couple none - -run 10000 diff --git a/examples/cauchystat/NiAl_cool/input.dat b/examples/cauchystat/NiAl_cool/input.dat deleted file mode 100644 index 3b99f3ea8f..0000000000 --- a/examples/cauchystat/NiAl_cool/input.dat +++ /dev/null @@ -1,6009 +0,0 @@ -Position data for MD simulation - -6000 atoms -2 atom types -0.0000 39.972658977840510 xlo xhi -0.0000 39.970082402467646 ylo yhi -0.0000 43.077168594479417 zlo zhi -Atoms - -1 1 2.265603 1.699233 2.96682 -2 2 2.147625 3.958175 4.336466 -3 1 1.997414 2.08615 5.681268 -4 2 6.222234 0.12344 4.55833 -5 1 4.247865 9.8684 7.188432 -6 2 2.226404 4.008191 1.332846 -7 1 2.558125 5.881235 2.799624 -8 2 2.112892 8.008518 4.084836 -9 1 2.366112 6.194696 5.83623 -10 2 0.308528 9.773154 7.249786 -11 1 1.861699 8.008727 1.634831 -12 2 0.245314 5.864464 4.508327 -13 1 8.139953 -0.02424 5.747139 -14 1 0.178338 3.676069 2.91793 -15 2 0.021903 9.933735 1.645872 -16 1 4.094944 3.990727 2.989711 -17 2 4.25173 6.125247 4.299378 -18 1 4.004975 4.261809 5.650881 -19 2 4.233414 9.883798 4.412874 -20 2 4.158657 5.985987 1.452914 -21 1 3.943003 7.917155 2.809851 -22 1 4.013002 8.032118 5.709128 -23 1 3.913817 0.208102 0.200173 -24 2 4.11186 2.115952 4.39711 -25 1 4.091794 8.080277 0.383691 -26 1 8.239262 4.128528 0.14417 -27 1 4.164942 2.294329 1.435205 -28 1 6.018476 2.048784 2.978318 -29 1 6.189263 4.123374 4.429365 -30 1 5.731913 2.039386 5.760723 -31 2 8.125123 2.396376 4.334063 -32 2 5.956145 3.961461 1.710606 -33 1 6.097732 6.223054 3.105619 -34 2 6.260701 8.269814 4.403081 -35 1 6.135592 6.191014 6.014208 -36 2 6.118481 0.280536 1.660297 -37 2 5.95371 8.134065 1.459117 -38 1 8.112 7.978937 6.025785 -39 1 8.230735 0.317331 0.287501 -40 1 7.984577 0.451106 2.876758 -41 1 8.121358 4.469963 3.000969 -42 2 8.0024 6.398776 4.506808 -43 1 8.265498 4.145515 5.950951 -44 1 8.093687 2.336039 1.599762 -45 2 7.786786 6.082031 1.369435 -46 1 8.051625 8.388788 2.947011 -47 2 1.887169 0.10205 1.232231 -48 1 3.814096 0.184819 2.93152 -49 2 5.999738 4.024912 6.895817 -50 1 0.20906 5.67262 1.62315 -51 1 2.22916 6.007717 0.143509 -52 1 9.864584 8.16224 1.516273 -53 1 0.029687 7.997328 3.090548 -54 1 0.158584 7.813035 5.663186 -55 1 6.149844 9.939956 0.040852 -56 1 1.871208 1.766851 8.960428 -57 2 2.233107 3.807827 10.095989 -58 1 1.960237 1.933156 11.733738 -59 1 2.028536 4.090031 13.399625 -60 2 0.096818 1.982978 13.367683 -61 1 1.962538 5.967991 8.575587 -62 2 1.779869 8.006286 9.997749 -63 1 2.261369 6.075808 11.262585 -64 1 1.878689 7.795749 12.973992 -65 1 8.066595 6.091936 7.32151 -66 2 6.004471 8.10958 7.337536 -67 2 3.807826 9.773306 13.107995 -68 2 3.628292 2.338356 7.627483 -69 1 4.142245 4.127148 8.640624 -70 2 4.430475 5.841591 10.077295 -71 1 3.968136 4.281892 11.552649 -72 2 3.926926 6.059939 13.034315 -73 1 4.163584 8.009554 8.875445 -74 1 3.841536 8.095992 11.564038 -75 1 1.972543 4.098752 7.26509 -76 1 9.833961 8.179066 10.053046 -77 1 3.959427 0.070701 8.628349 -78 1 4.000206 1.99734 10.467815 -79 1 0.175393 5.813256 10.208259 -80 2 3.991668 2.115114 12.987731 -81 2 8.056411 2.098025 12.865242 -82 1 5.64748 2.156225 8.497216 -83 2 6.159432 4.014865 10.196613 -84 1 6.214032 2.165249 11.651601 -85 1 5.856347 3.961477 13.023239 -86 1 7.948437 0.352004 11.304002 -87 2 0.129981 2.04383 7.39824 -88 1 6.181909 5.856377 8.431434 -89 1 5.991539 7.847191 10.091845 -90 1 5.975418 5.816241 11.895283 -91 1 5.86549 8.043369 13.028812 -92 2 4.166236 6.085137 7.231975 -93 1 0.439458 3.829864 11.550798 -94 2 0.21596 5.973334 12.667734 -95 1 10.017517 5.823156 11.545694 -96 1 8.076092 4.274718 8.540188 -97 2 7.924969 6.011881 10.326107 -98 1 8.12022 3.959556 11.608595 -99 1 8.110671 6.08702 13.353502 -100 1 8.135035 2.224763 9.76071 -101 1 8.056404 8.04948 8.608732 -102 1 7.867682 7.986347 11.444105 -103 1 0.057722 3.824193 8.62711 -104 1 9.981584 4.247366 7.362993 -105 2 4.013801 9.873296 9.982524 -106 1 2.329565 8.116478 7.435377 -107 2 5.950495 0.34488 9.79838 -108 1 4.334027 0.076447 11.746114 -109 2 7.945804 9.995075 13.009688 -110 1 2.027284 10.048274 11.752786 -111 2 7.985809 2.177851 7.348854 -112 2 0.227187 9.715111 13.080145 -113 1 4.369771 0.043973 14.298992 -114 1 9.913252 6.303629 8.785055 -115 1 7.984689 3.996322 14.285297 -116 1 6.286022 9.901661 11.434457 -117 2 9.978329 0.129998 10.093528 -118 2 9.898021 7.994926 13.146433 -119 1 2.438629 0.033347 18.603552 -120 2 2.19485 3.927092 15.921048 -121 1 2.266036 2.0106 17.298124 -122 2 2.190625 4.002775 18.808528 -123 1 2.529808 1.858131 19.802924 -124 1 2.121536 8.100548 15.903723 -125 1 1.999174 5.945764 17.409821 -126 2 2.399752 8.317077 18.513998 -127 1 2.085018 6.322971 20.123548 -128 1 0.132331 7.834943 14.417244 -129 2 0.191888 2.055829 18.456008 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7.728644 23.97055 31.916084 -1793 1 8.515126 26.113194 32.84505 -1794 1 7.87091 24.018792 34.546662 -1795 1 5.909818 25.850381 28.937903 -1796 1 1.855525 29.676343 34.402837 -1797 2 1.806439 20.090666 33.039472 -1798 1 7.815372 27.873969 28.973443 -1799 1 -0.02518 25.867262 33.08217 -1800 1 3.939606 30.030686 30.487508 -1801 2 9.865144 23.649709 33.392389 -1802 2 5.779526 24.002128 35.664124 -1803 1 4.247465 25.982549 35.80953 -1804 1 0.012022 24.158979 31.494615 -1805 1 5.845287 29.969937 34.69315 -1806 2 8.436976 26.046465 35.817561 -1807 1 7.795622 29.898607 30.128644 -1808 2 7.768617 22.215251 35.856895 -1809 2 7.93569 29.886699 33.196602 -1810 1 9.883607 29.838353 28.975335 -1811 1 1.946835 22.280384 43.066776 -1812 1 1.809398 21.863784 37.34337 -1813 1 1.976036 23.841911 38.755625 -1814 1 1.767727 21.824198 40.56452 -1815 2 2.083742 24.029053 41.450421 -1816 1 7.673731 20.199299 40.455877 -1817 1 3.883739 20.063979 37.43537 -1818 1 1.962857 26.015373 37.239011 -1819 1 1.855742 27.865871 38.783671 -1820 1 1.946136 26.114415 40.445845 -1821 2 1.342698 28.356759 41.677946 -1822 1 3.866247 20.162337 40.622125 -1823 2 3.812973 22.128926 36.114766 -1824 2 3.760552 22.028975 39.129353 -1825 1 0.120133 23.847195 42.944885 -1826 2 4.069006 22.075437 41.863068 -1827 1 5.907632 20.36903 38.501592 -1828 1 7.614067 27.968649 40.109559 -1829 1 3.897056 23.931653 37.406176 -1830 2 3.67424 25.831572 38.858188 -1831 1 3.697155 23.98423 40.178372 -1832 1 3.958999 25.902285 41.773782 -1833 1 9.702453 23.999789 36.048473 -1834 1 3.862301 28.11303 37.453615 -1835 1 3.835868 28.048802 40.57469 -1836 2 5.854804 27.776995 36.005821 -1837 1 2.018496 25.837414 42.987148 -1838 1 9.960693 25.630934 40.389307 -1839 1 5.93268 22.351558 37.363635 -1840 2 5.893761 24.161725 38.918752 -1841 1 5.808679 22.051292 40.511129 -1842 2 5.792864 24.116392 41.554559 -1843 1 9.64084 21.675057 37.276932 -1844 1 7.878713 27.9153 37.259426 -1845 1 6.175937 25.901323 37.471311 -1846 2 5.668787 27.931006 38.872038 -1847 1 5.833656 25.947867 40.073284 -1848 1 5.883119 28.188772 41.564271 -1849 1 1.968623 29.760132 37.440712 -1850 1 9.720776 21.931094 39.953354 -1851 2 7.71657 22.068573 38.940437 -1852 2 7.898218 26.165005 41.361678 -1853 2 8.069464 22.281116 41.639197 -1854 1 7.671941 23.931719 37.325285 -1855 2 8.224025 25.910081 38.501705 -1856 1 7.708054 24.12057 40.424826 -1857 1 3.73122 28.006194 42.903257 -1858 2 5.75438 20.111404 41.853219 -1859 1 9.831402 27.825768 38.818019 -1860 1 7.702614 27.990192 42.759806 -1861 1 7.820889 20.318748 42.936774 -1862 1 1.696378 24.07867 36.051323 -1863 2 1.929861 28.112364 36.261692 -1864 2 5.747452 20.123867 36.071437 -1865 2 9.856877 23.914266 38.695016 -1866 2 7.756468 29.813429 38.680181 -1867 1 7.682461 20.159018 37.348845 -1868 2 9.776865 19.989829 38.744389 -1869 1 9.815791 23.652977 41.622566 -1870 1 7.858893 24.330568 42.982576 -1871 2 8.002454 29.899258 41.430193 -1872 1 0.077683 20.128085 37.436998 -1873 2 1.626697 20.07364 41.83293 -1874 1 1.777573 31.918884 4.516148 -1875 1 0.224503 39.97377 2.747323 -1876 1 2.112303 39.817069 4.528393 -1877 2 1.981899 32.150865 1.347891 -1878 1 2.322442 33.979858 3.19387 -1879 2 2.096374 36.191635 4.230691 -1880 1 1.999648 34.152278 5.938815 -1881 1 1.73114 30.291033 2.935219 -1882 1 3.665367 29.983954 1.275677 -1883 2 1.943018 36.004664 1.697384 -1884 1 2.019378 38.176143 2.972324 -1885 1 2.19126 37.889176 5.917314 -1886 1 0.019605 35.984478 3.104091 -1887 2 7.787834 30.403461 4.344497 -1888 1 6.050812 33.918162 -0.027918 -1889 1 3.814711 31.691419 2.816277 -1890 2 4.20332 33.715468 4.180703 -1891 1 3.914581 32.066382 5.971622 -1892 2 3.895933 33.805468 1.20281 -1893 1 4.340385 35.802877 2.943593 -1894 1 4.271659 37.949305 4.314292 -1895 1 4.068788 35.686982 5.513423 -1896 2 4.190929 37.662517 7.182865 -1897 2 4.200636 38.226632 1.691189 -1898 1 9.716958 31.962759 4.249426 -1899 1 5.810481 32.019245 4.382481 -1900 1 5.938979 35.885235 7.16864 -1901 1 0.267384 35.760048 6.061532 -1902 2 6.018619 31.95181 1.612974 -1903 1 5.938914 34.057443 2.77635 -1904 2 6.183116 36.065698 4.376274 -1905 1 6.089476 34.019022 5.411901 -1906 1 6.359106 35.990867 1.578601 -1907 1 6.152011 38.058648 2.943561 -1908 1 5.711164 30.034724 2.988084 -1909 1 6.045542 37.798257 5.727308 -1910 1 8.009398 36.153578 0.053676 -1911 1 0.238276 33.896375 4.533811 -1912 1 7.902329 32.340963 2.922426 -1913 2 8.222407 34.13168 4.116176 -1914 1 7.936717 32.22354 5.888103 -1915 2 8.123641 38.41175 1.891536 -1916 2 7.927555 34.06589 1.21075 -1917 1 8.412195 35.913547 2.85742 -1918 1 8.139566 38.142702 4.120627 -1919 1 8.317254 36.194514 5.407003 -1920 1 4.034964 36.04412 0.47011 -1921 2 3.83481 30.240395 4.561724 -1922 2 0.249553 38.107374 7.140438 -1923 1 2.126706 37.874136 0.15149 -1924 1 9.770714 33.872567 5.735309 -1925 1 7.651907 31.89674 -0.001589 -1926 1 6.265497 38.190114 0.387488 -1927 2 0.091323 38.034686 1.579889 -1928 1 6.013525 30.091058 5.903567 -1929 2 9.613745 31.989409 1.558474 -1930 1 9.893134 38.099463 -0.000176 -1931 1 0.012372 34.088485 1.353111 -1932 1 1.957372 34.025261 0.135755 -1933 1 9.930552 30.036571 0.064988 -1934 1 1.356847 30.09059 0.587218 -1935 2 2.165378 39.90345 7.155948 -1936 1 9.928802 38.103943 5.693619 -1937 1 4.231897 39.892291 5.78739 -1938 2 3.93426 34.036259 7.069656 -1939 2 2.074177 32.270109 10.089125 -1940 1 3.932043 30.108354 7.345143 -1941 2 1.820986 31.836134 13.124076 -1942 1 1.929382 34.316614 8.776464 -1943 2 2.083627 36.058658 10.081855 -1944 1 1.997221 33.916084 11.577718 -1945 1 2.267799 35.662279 13.073333 -1946 2 4.209744 30.111608 9.908398 -1947 1 2.104601 38.082098 8.735584 -1948 2 8.24053 38.05696 7.216926 -1949 1 2.109203 38.067126 11.734018 -1950 2 0.042241 38.005125 10.32451 -1951 1 1.957287 39.865839 10.426779 -1952 2 8.203196 30.05132 9.912922 -1953 1 2.246349 30.143579 11.639665 -1954 1 4.199959 32.106503 8.70465 -1955 1 3.976417 34.112906 10.198306 -1956 1 3.884958 31.967651 11.562891 -1957 2 4.063522 34.032621 13.004991 -1958 1 4.232266 36.19468 8.962151 -1959 2 4.097197 38.230412 10.13239 -1960 1 4.118617 35.849094 11.679739 -1961 2 4.350691 37.885411 12.898671 -1962 1 6.201046 32.417633 10.15369 -1963 2 5.816252 31.722772 13.101456 -1964 1 6.157578 39.769939 7.197304 -1965 1 6.184596 34.126547 8.504052 -1966 2 6.346713 35.703957 10.195727 -1967 1 6.288059 33.992499 11.799552 -1968 1 6.483281 35.967443 12.860859 -1969 2 7.835082 34.145462 7.179037 -1970 1 6.256423 37.691882 8.993285 -1971 1 6.2337 37.988064 11.537765 -1972 2 9.772215 31.919829 7.180665 -1973 1 7.981132 32.165581 14.333143 -1974 1 2.309997 36.061233 7.359038 -1975 1 4.433034 36.045633 14.35862 -1976 1 7.955328 32.223129 8.507808 -1977 2 8.286523 34.141907 10.013388 -1978 1 7.939052 31.949186 11.600717 -1979 1 8.104476 34.231193 13.030137 -1980 2 1.884476 31.865234 7.19113 -1981 1 8.333692 36.082489 8.414603 -1982 2 8.168537 38.03579 10.329742 -1983 1 8.420403 35.985684 11.517078 -1984 1 8.327179 38.029547 12.910471 -1985 2 6.20532 31.903657 7.381951 -1986 2 0.085009 37.638839 13.154459 -1987 1 7.552329 30.251663 13.212821 -1988 2 2.355047 39.830169 13.072665 -1989 1 0.148785 31.885164 11.209718 -1990 1 1.848807 30.245173 8.940225 -1991 1 0.166389 36.076965 8.575072 -1992 1 5.894085 30.228735 11.200379 -1993 1 0.232408 36.202468 11.578646 -1994 1 2.4752 37.687884 14.341623 -1995 1 0.334254 39.866494 8.663952 -1996 1 0.04027 39.756099 11.961945 -1997 1 0.083418 34.195005 10.175316 -1998 2 0.043097 34.005541 7.193221 -1999 2 0.052476 33.834131 12.929227 -2000 1 8.114393 39.929142 8.406226 -2001 1 6.281515 37.719535 14.225496 -2002 2 9.768912 32.130689 12.866513 -2003 1 9.864669 32.192496 10.045288 -2004 1 0.028148 32.153045 8.783822 -2005 2 6.417236 39.879341 13.202851 -2006 1 8.005375 39.836615 20.349358 -2007 2 2.017709 31.870952 15.889762 -2008 2 7.716399 30.062983 18.430151 -2009 2 2.119264 32.351346 19.061283 -2010 2 6.658976 39.77428 18.733464 -2011 2 2.321302 35.607604 15.702355 -2012 1 1.966843 34.024507 17.339235 -2013 2 2.33321 35.646813 18.814154 -2014 1 1.794484 34.194282 20.582509 -2015 1 1.984336 29.928657 17.680043 -2016 1 2.238075 37.571948 17.445144 -2017 1 4.466772 39.923317 17.544828 -2018 1 2.072213 37.924398 20.106708 -2019 1 3.990864 31.761546 14.785242 -2020 1 4.020518 33.927189 15.729606 -2021 1 3.897539 31.807357 17.561737 -2022 1 4.265924 33.937397 18.871352 -2023 1 4.376327 32.03663 20.389624 -2024 1 6.400496 39.782735 15.767263 -2025 2 4.461272 37.709843 15.835142 -2026 1 4.42096 35.817684 17.119638 -2027 2 4.054798 37.811976 18.867409 -2028 1 3.994208 35.957797 20.233365 -2029 1 1.972412 30.096734 20.271564 -2030 1 5.988832 31.90054 15.667667 -2031 2 6.100535 31.913125 18.798462 -2032 1 0.28224 35.927235 17.246921 -2033 1 9.878186 30.085685 17.138849 -2034 1 6.416487 35.895999 15.857104 -2035 2 5.962689 34.078738 16.936543 -2036 1 6.325491 35.483857 19.110752 -2037 1 6.245971 33.832167 20.618167 -2038 1 6.042072 33.77268 14.335557 -2039 1 6.090957 37.771252 17.365844 -2040 1 9.965189 29.988789 20.309186 -2041 1 6.076905 37.611337 20.045471 -2042 1 5.896032 30.00014 17.243068 -2043 1 8.07936 33.904732 15.859046 -2044 1 8.054869 32.064974 17.179067 -2045 1 8.005802 33.797373 18.711026 -2046 1 8.057981 31.963545 20.146211 -2047 2 0.309963 38.150861 18.320971 -2048 1 4.115614 39.67221 20.110889 -2049 2 8.081998 38.170352 15.777895 -2050 2 7.937916 35.762545 17.421317 -2051 1 8.272271 37.86978 18.956105 -2052 1 8.283257 35.777381 20.31464 -2053 2 9.912436 31.930176 18.604112 -2054 1 2.15249 33.697753 14.456595 -2055 1 0.288827 35.769857 14.514595 -2056 1 9.431672 30.130483 14.363583 -2057 1 0.624667 37.928674 15.889499 -2058 1 0.369054 40.000083 14.57263 -2059 2 5.942885 39.825627 21.411058 -2060 1 9.76097 33.878497 17.458218 -2061 2 0.14271 33.917279 15.694226 -2062 2 2.613349 39.786493 15.882906 -2063 1 0.15616 32.064048 17.607407 -2064 1 0.501157 36.231429 19.757287 -2065 2 7.853228 37.879054 21.493266 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22.241081 37.17316 -5579 2 34.125087 24.143446 39.010304 -5580 1 33.997499 22.06184 40.374786 -5581 1 34.225665 24.069461 41.736873 -5582 1 33.932104 25.893531 37.519827 -5583 2 33.77329 27.943689 38.48262 -5584 1 33.713028 25.960392 40.09306 -5585 2 33.759151 27.899985 41.583325 -5586 2 33.689627 20.140057 36.219908 -5587 2 36.007824 22.144071 36.071922 -5588 2 37.620658 27.864602 38.755932 -5589 1 39.738066 23.868111 40.35193 -5590 1 36.044603 22.198895 38.939329 -5591 1 33.554331 29.877621 40.218971 -5592 2 36.210984 22.124513 41.901686 -5593 2 38.321777 20.14745 42.021594 -5594 1 35.891168 24.174352 37.042395 -5595 1 35.94011 25.975562 38.850673 -5596 1 36.086096 23.949456 40.287057 -5597 2 35.791035 25.814753 41.294699 -5598 1 38.121169 25.85346 40.303076 -5599 1 39.766821 22.077842 41.533013 -5600 1 35.898072 27.608031 37.346086 -5601 1 35.536703 27.971258 40.062924 -5602 1 37.725397 25.89497 37.190171 -5603 2 37.79448 28.357372 41.583156 -5604 1 32.130663 20.179465 40.490265 -5605 1 37.805212 22.189132 37.454434 -5606 2 37.845302 23.980917 38.951707 -5607 1 38.018734 22.01441 40.25018 -5608 1 37.998999 23.83693 41.969539 -5609 1 32.000064 20.176196 37.541736 -5610 2 37.944544 27.863124 35.858277 -5611 1 39.781907 29.831429 35.898085 -5612 2 35.490384 29.962999 41.453455 -5613 1 39.758098 24.039153 37.528235 -5614 2 39.892583 25.906438 41.854944 -5615 1 36.285268 19.999603 40.745261 -5616 2 30.09655 24.022449 41.945798 -5617 2 39.993697 25.996395 38.728838 -5618 1 37.81422 26.290042 42.848087 -5619 2 30.055901 19.935486 38.573149 -5620 1 37.973864 20.290243 36.046389 -5621 1 39.678251 27.704428 37.302745 -5622 2 39.966918 21.895199 38.767152 -5623 1 39.609699 27.894456 40.148854 -5624 1 35.857722 20.273774 37.567161 -5625 2 31.876516 29.975478 41.679184 -5626 2 29.990823 24.134634 38.782012 -5627 1 30.110123 28.422528 35.957979 -5628 1 30.166791 21.94758 37.4415 -5629 1 32.168293 24.104265 42.975893 -5630 1 35.411443 29.813844 38.643913 -5631 2 37.976528 20.120682 38.533653 -5632 1 39.779362 30.230874 4.652211 -5633 1 29.983878 33.982126 0.04316 -5634 2 30.086369 31.993647 4.231995 -5635 2 33.932165 39.866251 7.068893 -5636 1 32.059505 32.251117 2.629522 -5637 2 31.867763 34.040728 3.960388 -5638 1 31.932973 31.808697 5.917256 -5639 1 30.007373 39.943466 4.51009 -5640 2 39.207186 30.079079 1.703674 -5641 1 32.016417 34.359045 1.391175 -5642 1 32.0796 36.080574 2.990027 -5643 2 32.125016 37.982811 4.244242 -5644 1 32.039867 35.855789 5.754866 -5645 2 30.356301 36.250302 1.436559 -5646 1 32.110296 38.00744 1.426636 -5647 1 33.998604 30.067664 5.743991 -5648 2 33.695324 31.983255 4.383442 -5649 2 30.152086 36.019627 4.245065 -5650 2 34.240197 32.341445 1.32205 -5651 1 33.885438 34.090868 2.902626 -5652 2 34.178132 35.93225 4.482376 -5653 1 33.856287 33.915557 5.543055 -5654 2 34.187255 35.904801 1.570832 -5655 1 34.049489 37.902242 2.794215 -5656 1 34.196846 37.782622 5.597948 -5657 1 32.010141 29.994854 3.963328 -5658 1 30.085473 38.058327 2.970114 -5659 1 37.563886 30.425407 3.132393 -5660 1 35.867335 32.241913 3.116156 -5661 2 35.974255 34.126395 4.519526 -5662 1 36.004069 32.109611 5.814404 -5663 1 34.085538 39.906327 4.293478 -5664 1 36.097439 33.990507 1.502757 -5665 1 36.087679 36.048793 3.035352 -5666 2 36.278328 38.155374 4.063777 -5667 1 36.249913 36.355424 5.927679 -5668 2 31.890573 30.350964 1.619094 -5669 2 31.962807 37.754434 7.179059 -5670 1 35.973947 37.892913 1.48124 -5671 2 35.839322 30.204876 4.375075 -5672 1 37.935879 32.177401 4.195289 -5673 1 38.101493 38.10187 5.953049 -5674 2 37.852909 32.388628 1.664291 -5675 1 37.942171 34.0458 3.006996 -5676 2 38.2641 36.15208 4.530503 -5677 1 38.039433 34.206108 5.79566 -5678 1 33.979517 30.322401 2.668635 -5679 2 38.266202 35.993947 1.484331 -5680 1 38.067048 38.040012 2.752414 -5681 1 37.733806 30.096455 5.970187 -5682 1 39.682213 32.091472 5.993971 -5683 1 39.817487 31.930363 0.000367 -5684 1 36.043395 39.59783 5.676369 -5685 1 31.869558 32.098607 0.138261 -5686 1 39.734652 32.347843 3.042732 -5687 2 40.028718 38.187031 4.420077 -5688 1 35.900797 34.287592 6.911917 -5689 1 34.035098 34.219002 0.088382 -5690 1 35.958161 30.177564 1.36017 -5691 2 34.104037 39.871769 1.666144 -5692 2 31.713648 30.030149 13.126076 -5693 2 38.102561 35.967156 7.519894 -5694 2 31.857312 30.233676 7.601269 -5695 1 34.289545 38.267283 14.401123 -5696 2 35.86683 30.19377 7.315341 -5697 1 30.215661 34.162037 8.437432 -5698 2 32.177106 33.712521 7.258256 -5699 2 36.086337 30.089865 10.102229 -5700 1 31.904414 32.116466 8.706393 -5701 1 31.937094 33.843414 10.07911 -5702 1 31.979885 32.115442 11.535778 -5703 2 31.646163 34.054645 12.923349 -5704 2 34.238187 35.954151 7.232689 -5705 1 32.107596 35.868544 8.568472 -5706 1 31.872832 37.740296 10.246254 -5707 1 32.382757 36.08172 11.390228 -5708 1 31.907287 38.043268 12.759712 -5709 1 33.814113 30.280416 11.361764 -5710 1 30.217972 36.108976 12.75806 -5711 2 33.902634 32.114854 10.131038 -5712 1 33.57231 32.104408 13.09734 -5713 1 31.808268 30.066503 10.372268 -5714 1 34.074533 34.09759 8.82773 -5715 2 34.112978 35.879639 10.008535 -5716 1 33.847258 34.132738 11.781858 -5717 2 33.938795 36.222314 13.025522 -5718 2 29.978741 32.187816 10.235973 -5719 1 34.055911 38.08124 8.660649 -5720 1 33.602601 34.200907 14.256884 -5721 1 34.074479 38.033056 11.548004 -5722 2 36.270647 38.06342 7.227717 -5723 1 35.834976 32.087215 8.752976 -5724 2 36.060859 33.636235 10.421377 -5725 1 35.993855 31.835332 12.022895 -5726 2 35.800428 33.936835 13.252217 -5727 1 36.115212 35.929045 8.653718 -5728 2 36.22813 38.12211 10.18663 -5729 1 36.031176 36.067395 11.711353 -5730 2 36.290793 38.28804 13.110371 -5731 1 38.314803 39.87771 13.628157 -5732 2 37.813718 31.963763 10.266333 -5733 2 38.345306 31.61479 12.746628 -5734 1 37.993817 33.8253 8.828538 -5735 2 37.963385 36.024574 10.310583 -5736 1 37.917131 33.840219 11.529013 -5737 1 38.204273 36.194533 12.982689 -5738 1 38.223785 37.96125 8.694521 -5739 1 38.251957 38.103445 11.574783 -5740 1 32.162162 35.830151 14.368089 -5741 1 38.188088 39.835851 10.200529 -5742 2 37.943506 31.862097 7.486993 -5743 1 34.019779 32.099062 7.382655 -5744 1 37.835648 33.808569 14.272091 -5745 2 30.154664 36.008494 10.278616 -5746 2 34.005569 29.909902 14.221934 -5747 2 39.942399 30.201297 7.221972 -5748 1 31.669489 32.129787 14.202133 -5749 1 33.8553 30.102976 8.785283 -5750 1 36.285019 39.993992 8.473052 -5751 2 34.332311 39.811654 10.053333 -5752 1 32.287985 39.934755 8.544521 -5753 1 32.117424 39.894109 11.328559 -5754 1 34.070494 39.946648 12.675838 -5755 1 33.523905 30.237815 17.092452 -5756 1 37.796875 30.195733 20.074531 -5757 1 36.27689 36.076917 14.383428 -5758 1 31.912415 30.074316 18.962029 -5759 1 31.72877 30.195629 15.548548 -5760 1 39.683801 34.084414 18.996274 -5761 1 31.823255 34.23579 15.916954 -5762 1 32.081111 32.17144 17.423655 -5763 2 32.272671 34.141341 18.923237 -5764 1 31.890319 32.258592 20.174682 -5765 1 32.292252 37.789848 15.657298 -5766 1 31.865994 35.945048 17.430984 -5767 2 32.390605 38.101438 18.756338 -5768 1 32.536255 36.292415 20.33365 -5769 1 30.255802 37.826036 17.398086 -5770 2 30.361913 39.693462 15.767213 -5771 1 33.658364 32.195407 15.713634 -5772 1 37.521125 34.00621 20.179734 -5773 2 34.170474 31.959646 18.774747 -5774 2 30.146126 36.07111 19.193288 -5775 2 34.236512 36.009488 15.705407 -5776 1 33.893052 34.259763 17.152928 -5777 1 34.299465 36.26334 18.583767 -5778 1 34.414431 34.040341 19.801645 -5779 1 38.268782 38.067343 19.882736 -5780 1 38.192119 30.067346 14.65738 -5781 1 34.182659 38.172175 17.379208 -5782 1 34.285582 38.312236 20.114249 -5783 1 35.930101 31.821554 14.523145 -5784 1 38.166996 38.004859 14.725716 -5785 1 35.925271 33.697258 15.741088 -5786 1 35.628801 31.929644 17.21365 -5787 2 36.045808 34.231991 18.304721 -5788 1 36.066783 31.92807 19.890693 -5789 2 30.047091 31.872972 18.511468 -5790 1 38.23536 37.943903 17.225875 -5791 2 36.119549 38.085157 15.846243 -5792 1 36.28338 36.046451 17.021393 -5793 1 36.11202 38.183852 18.648108 -5794 1 36.196383 36.094959 20.14945 -5795 1 39.857714 32.070711 20.545667 -5796 2 38.277117 32.092018 16.056024 -5797 1 30.025257 33.999826 20.265429 -5798 2 37.984137 32.053017 18.664282 -5799 1 32.002215 39.814443 17.350923 -5800 2 38.174586 35.979296 18.941495 -5801 2 38.345772 36.135739 15.897296 -5802 1 38.047733 34.092532 17.193597 -5803 2 30.130578 35.962177 15.540359 -5804 2 36.401926 38.058554 21.346524 -5805 1 30.120957 38.000412 14.522433 -5806 1 30.488998 38.181884 20.233832 -5807 1 30.027329 34.063964 17.498188 -5808 1 37.840062 29.987227 17.565361 -5809 1 32.008478 30.033144 21.485715 -5810 2 39.774533 34.462138 21.415634 -5811 1 30.338184 36.208481 21.405811 -5812 1 29.947563 30.056036 17.165794 -5813 1 39.921352 31.819743 14.64622 -5814 2 34.22915 39.981504 21.655908 -5815 1 30.183329 38.19462 25.743477 -5816 1 35.907762 33.854845 21.824692 -5817 1 38.081846 38.241792 22.993384 -5818 2 34.075816 32.199578 21.47467 -5819 1 32.064265 31.912891 22.91255 -5820 1 31.883139 33.912773 24.608383 -5821 1 31.812805 31.862315 26.174015 -5822 2 32.311833 34.450426 27.53752 -5823 1 32.200878 36.145135 23.147334 -5824 2 32.211767 38.313372 24.442593 -5825 1 32.252693 36.173296 25.56014 -5826 2 32.184178 37.824314 27.059278 -5827 2 35.878916 30.070226 21.715039 -5828 1 37.668689 30.050641 23.045191 -5829 2 31.790668 34.251576 21.855242 -5830 1 30.175916 38.136754 23.248784 -5831 1 33.79328 31.909522 24.576174 -5832 2 33.915875 32.018888 27.178426 -5833 1 33.839278 34.11599 23.063711 -5834 2 34.250078 35.934833 24.487018 -5835 1 33.990054 34.106505 25.930061 -5836 1 34.091025 36.282124 27.332172 -5837 1 39.883217 38.455893 24.705928 -5838 2 38.008034 36.021219 27.398438 -5839 1 34.624327 37.896007 23.016853 -5840 1 34.168936 37.954274 25.436951 -5841 1 39.89339 34.048173 27.027007 -5842 1 38.248268 36.455753 21.536765 -5843 1 35.611768 31.698556 23.347142 -5844 2 36.148802 34.042768 24.34925 -5845 1 35.930043 32.125519 25.878398 -5846 2 35.950538 34.005205 27.219195 -5847 1 37.955393 34.076875 25.799656 -5848 1 37.973062 38.01909 26.230315 -5849 1 36.411999 36.023781 22.980871 -5850 2 36.283519 37.906374 24.521157 -5851 1 36.105429 36.189959 25.968065 -5852 2 35.830991 38.301536 27.267321 -5853 1 30.231426 34.188738 26.125408 -5854 1 30.281973 34.136127 28.552033 -5855 2 37.785563 31.866932 24.278312 -5856 2 31.348335 30.244331 27.485493 -5857 2 37.966809 32.115632 27.589764 -5858 2 35.66017 29.988788 24.878779 -5859 1 38.277476 34.130765 22.79239 -5860 2 37.959129 36.154297 24.437008 -5861 1 33.713618 30.108282 28.642398 -5862 1 39.822964 31.905463 23.110805 -5863 1 37.492689 32.09291 21.995043 -5864 2 30.127031 36.064739 24.638111 -5865 1 35.533243 30.110728 27.243438 -5866 1 36.070605 31.93122 28.695839 -5867 2 34.291131 35.85795 21.75028 -5868 1 31.938061 32.142881 28.504169 -5869 1 33.986813 39.867909 27.012668 -5870 1 30.10822 37.992396 28.395198 -5871 1 39.800701 30.030956 24.347523 -5872 2 39.892552 29.979658 27.134291 -5873 2 32.228297 37.952841 21.875429 -5874 2 39.977135 34.107266 24.499149 -5875 1 39.846344 36.406036 26.033584 -5876 1 32.059083 40.009476 28.464272 -5877 1 35.959269 39.965152 25.93262 -5878 2 30.460566 32.139968 24.447603 -5879 2 39.881804 38.087413 21.696502 -5880 1 30.134489 36.163809 33.336193 -5881 1 37.575878 38.100411 28.849489 -5882 1 37.662104 38.133383 31.571418 -5883 1 32.362045 39.87867 34.884405 -5884 1 39.873173 36.224308 34.920349 -5885 1 31.991424 34.085923 29.999612 -5886 1 31.815171 32.168756 31.641691 -5887 2 31.782096 34.063184 33.062024 -5888 1 31.718037 31.953527 34.554814 -5889 1 39.862898 38.376226 32.906485 -5890 1 37.551931 30.038119 34.432157 -5891 1 31.780802 37.997046 30.254783 -5892 1 31.834761 35.939821 31.604936 -5893 2 32.041736 38.210181 33.326919 -5894 1 32.203699 35.869978 34.596577 -5895 1 34.008946 38.074601 28.827076 -5896 1 37.899592 29.974959 28.916731 -5897 1 38.030007 33.96835 28.91396 -5898 2 33.846774 32.085103 30.081464 -5899 1 29.952597 30.143437 34.499248 -5900 1 33.915497 32.111271 33.150301 -5901 1 31.790321 30.23064 29.991804 -5902 2 37.907438 32.157735 35.935104 -5903 2 33.84716 36.05681 30.26538 -5904 1 34.0432 34.280307 31.67674 -5905 2 34.011752 36.10558 33.143956 -5906 1 33.824017 34.085576 34.552777 -5907 1 34.194027 34.072791 28.967937 -5908 1 33.894909 38.222801 31.657741 -5909 1 33.881652 38.078172 34.899329 -5910 1 38.119296 38.056464 34.569681 -5911 1 34.291634 39.920546 33.178111 -5912 1 33.581454 29.993619 34.681796 -5913 2 36.053229 33.87704 30.318866 -5914 1 35.873901 31.88411 31.537273 -5915 1 35.89848 33.774876 32.823618 -5916 1 35.828028 32.348885 34.478807 -5917 1 35.672787 37.928294 30.518119 -5918 1 35.989671 35.945619 31.826779 -5919 2 35.97259 38.32967 33.142576 -5920 1 35.703331 35.814769 34.580449 -5921 1 33.817908 30.208146 31.599942 -5922 1 35.844503 36.12033 28.831087 -5923 1 38.261976 32.096366 30.088155 -5924 2 37.797891 31.9048 33.114668 -5925 1 39.55682 31.880323 34.531549 -5926 2 37.75043 36.193675 30.248336 -5927 1 38.393997 33.98513 31.905095 -5928 2 37.963057 36.355009 33.181745 -5929 1 37.797425 34.035854 34.376018 -5930 1 30.050396 34.271558 31.538997 -5931 1 39.815357 36.070726 31.654601 -5932 2 39.731271 30.032678 30.327233 -5933 1 39.915975 31.952921 31.714062 -5934 2 31.84562 29.966231 33.068673 -5935 1 31.85693 36.270476 28.934934 -5936 1 31.866016 39.844488 31.814385 -5937 1 30.092134 34.094244 34.755273 -5938 1 39.694807 30.040539 32.997642 -5939 1 36.196648 35.960439 42.925128 -5940 2 32.015598 37.930066 36.230869 -5941 1 37.674069 30.102473 37.130906 -5942 1 39.699003 32.118698 37.217773 -5943 2 29.963786 31.633701 39.162197 -5944 1 32.058675 39.814086 37.607409 -5945 1 35.842471 33.971675 35.989822 -5946 1 34.028551 38.060871 42.983375 -5947 1 31.588672 31.941435 37.383683 -5948 2 31.694069 33.998273 38.693202 -5949 1 31.930294 31.884957 40.381472 -5950 2 32.11349 33.999595 41.798502 -5951 1 31.876844 36.011394 37.307134 -5952 2 31.893158 37.928813 38.973436 -5953 1 31.81531 35.668229 40.479844 -5954 2 31.787646 38.142244 41.698514 -5955 1 31.925559 36.23881 42.924197 -5956 1 36.004443 37.899297 36.000218 -5957 1 38.451312 38.205323 40.038254 -5958 2 33.656378 31.907332 38.819792 -5959 1 33.99011 31.933293 41.627228 -5960 2 37.707146 36.123239 36.332034 -5961 1 33.657247 33.955416 37.665398 -5962 1 33.73943 36.151957 39.054731 -5963 1 33.605884 33.957716 40.193208 -5964 2 34.011058 36.048882 41.690411 -5965 1 38.130598 34.242802 40.052446 -5966 1 34.167865 38.117836 37.628936 -5967 1 34.142536 38.424699 40.41195 -5968 1 40.005739 32.215658 40.003237 -5969 1 39.521882 33.977557 36.015643 -5970 1 38.214368 38.282583 37.333443 -5971 1 31.918418 33.931512 36.157998 -5972 1 35.612055 32.074774 37.387219 -5973 2 35.5831 34.04957 39.047544 -5974 1 35.75246 32.088086 40.149631 -5975 2 35.615657 33.824419 41.713165 -5976 1 35.638569 36.061296 37.614952 -5977 2 36.358444 37.816896 38.884174 -5978 1 35.987046 36.034802 40.28745 -5979 1 36.122176 38.157473 41.827978 -5980 1 37.730089 30.067171 42.889333 -5981 2 39.944726 33.833791 41.642053 -5982 2 37.765477 32.166294 38.745053 -5983 2 38.099767 31.876153 41.350163 -5984 2 38.066621 36.442839 41.48951 -5985 1 37.726393 34.24931 37.606618 -5986 1 38.065514 36.286433 39.031222 -5987 1 37.664687 30.041804 39.941583 -5988 1 36.1403 39.743151 39.963443 -5989 2 34.004128 36.124387 36.139274 -5990 1 38.008343 33.918454 43.060491 -5991 1 36.098653 32.233378 42.976295 -5992 1 30.058867 38.134404 37.476791 -5993 2 35.662195 29.860797 35.905075 -5994 1 33.53205 30.001458 37.176731 -5995 1 38.387155 38.05525 43.009631 -5996 1 36.188595 39.834331 37.505629 -5997 1 39.656895 29.968268 41.372509 -5998 1 39.786156 36.00049 42.804021 -5999 2 33.855117 32.268762 36.090908 -6000 2 31.856527 30.044242 36.001804 diff --git a/examples/cauchystat/NiAl_cool/lammps.in b/examples/cauchystat/NiAl_cool/lammps.in deleted file mode 100644 index 4aa5d327a9..0000000000 --- a/examples/cauchystat/NiAl_cool/lammps.in +++ /dev/null @@ -1,45 +0,0 @@ -units metal -atom_style atomic -atom_modify map array - -processors 1 1 1 - -# Box and atom positions: -boundary p p p -read_data input.dat - -# Atomic mass: -mass 1 58.69 -mass 2 26.98154 - -# Potential, Al fcc crystal -pair_style eam/alloy -pair_coeff * * ../Mishin-Ni-Al-2009.eam.alloy Ni Al - -thermo 100 -thermo_style custom step temp pxx pyy pzz lx ly lz -compute cna all cna/atom 2.8 - -velocity all create 2400.0 4928459 rot yes dist gaussian - -fix 1 all npt temp 1200.0 1200.0 1.0 x 0.0 0.0 0.1 y 0.0 0.0 0.1 z -2800.0 -2800.0 0.1 couple none cauchystat 0.001 no - -dump 1 all cfg 1000 test*.cfg mass type xs ys zs type c_cna - -timestep 0.002 - -variable l equal lz -variable p equal pzz -variable t equal temp - -fix avg all ave/time 1 1000 1000 v_t v_l v_p file avg.txt - -velocity all create 2400 4928459 rot yes dist gaussian - -run 10000 - -unfix 1 - -fix 1 all npt temp 1200.0 300.0 1.0 x 0.0 0.0 0.1 y 0.0 0.0 0.1 z -2800.0 -2800.0 0.1 couple none cauchystat 0.001 yes - -run 100000 diff --git a/examples/cauchystat/NiAl_slow_stretch_CS/input.dat b/examples/cauchystat/NiAl_slow_stretch_CS/input.dat deleted file mode 100644 index 3b99f3ea8f..0000000000 --- a/examples/cauchystat/NiAl_slow_stretch_CS/input.dat +++ /dev/null @@ -1,6009 +0,0 @@ -Position data for MD simulation - -6000 atoms -2 atom types -0.0000 39.972658977840510 xlo xhi -0.0000 39.970082402467646 ylo yhi -0.0000 43.077168594479417 zlo zhi -Atoms - -1 1 2.265603 1.699233 2.96682 -2 2 2.147625 3.958175 4.336466 -3 1 1.997414 2.08615 5.681268 -4 2 6.222234 0.12344 4.55833 -5 1 4.247865 9.8684 7.188432 -6 2 2.226404 4.008191 1.332846 -7 1 2.558125 5.881235 2.799624 -8 2 2.112892 8.008518 4.084836 -9 1 2.366112 6.194696 5.83623 -10 2 0.308528 9.773154 7.249786 -11 1 1.861699 8.008727 1.634831 -12 2 0.245314 5.864464 4.508327 -13 1 8.139953 -0.02424 5.747139 -14 1 0.178338 3.676069 2.91793 -15 2 0.021903 9.933735 1.645872 -16 1 4.094944 3.990727 2.989711 -17 2 4.25173 6.125247 4.299378 -18 1 4.004975 4.261809 5.650881 -19 2 4.233414 9.883798 4.412874 -20 2 4.158657 5.985987 1.452914 -21 1 3.943003 7.917155 2.809851 -22 1 4.013002 8.032118 5.709128 -23 1 3.913817 0.208102 0.200173 -24 2 4.11186 2.115952 4.39711 -25 1 4.091794 8.080277 0.383691 -26 1 8.239262 4.128528 0.14417 -27 1 4.164942 2.294329 1.435205 -28 1 6.018476 2.048784 2.978318 -29 1 6.189263 4.123374 4.429365 -30 1 5.731913 2.039386 5.760723 -31 2 8.125123 2.396376 4.334063 -32 2 5.956145 3.961461 1.710606 -33 1 6.097732 6.223054 3.105619 -34 2 6.260701 8.269814 4.403081 -35 1 6.135592 6.191014 6.014208 -36 2 6.118481 0.280536 1.660297 -37 2 5.95371 8.134065 1.459117 -38 1 8.112 7.978937 6.025785 -39 1 8.230735 0.317331 0.287501 -40 1 7.984577 0.451106 2.876758 -41 1 8.121358 4.469963 3.000969 -42 2 8.0024 6.398776 4.506808 -43 1 8.265498 4.145515 5.950951 -44 1 8.093687 2.336039 1.599762 -45 2 7.786786 6.082031 1.369435 -46 1 8.051625 8.388788 2.947011 -47 2 1.887169 0.10205 1.232231 -48 1 3.814096 0.184819 2.93152 -49 2 5.999738 4.024912 6.895817 -50 1 0.20906 5.67262 1.62315 -51 1 2.22916 6.007717 0.143509 -52 1 9.864584 8.16224 1.516273 -53 1 0.029687 7.997328 3.090548 -54 1 0.158584 7.813035 5.663186 -55 1 6.149844 9.939956 0.040852 -56 1 1.871208 1.766851 8.960428 -57 2 2.233107 3.807827 10.095989 -58 1 1.960237 1.933156 11.733738 -59 1 2.028536 4.090031 13.399625 -60 2 0.096818 1.982978 13.367683 -61 1 1.962538 5.967991 8.575587 -62 2 1.779869 8.006286 9.997749 -63 1 2.261369 6.075808 11.262585 -64 1 1.878689 7.795749 12.973992 -65 1 8.066595 6.091936 7.32151 -66 2 6.004471 8.10958 7.337536 -67 2 3.807826 9.773306 13.107995 -68 2 3.628292 2.338356 7.627483 -69 1 4.142245 4.127148 8.640624 -70 2 4.430475 5.841591 10.077295 -71 1 3.968136 4.281892 11.552649 -72 2 3.926926 6.059939 13.034315 -73 1 4.163584 8.009554 8.875445 -74 1 3.841536 8.095992 11.564038 -75 1 1.972543 4.098752 7.26509 -76 1 9.833961 8.179066 10.053046 -77 1 3.959427 0.070701 8.628349 -78 1 4.000206 1.99734 10.467815 -79 1 0.175393 5.813256 10.208259 -80 2 3.991668 2.115114 12.987731 -81 2 8.056411 2.098025 12.865242 -82 1 5.64748 2.156225 8.497216 -83 2 6.159432 4.014865 10.196613 -84 1 6.214032 2.165249 11.651601 -85 1 5.856347 3.961477 13.023239 -86 1 7.948437 0.352004 11.304002 -87 2 0.129981 2.04383 7.39824 -88 1 6.181909 5.856377 8.431434 -89 1 5.991539 7.847191 10.091845 -90 1 5.975418 5.816241 11.895283 -91 1 5.86549 8.043369 13.028812 -92 2 4.166236 6.085137 7.231975 -93 1 0.439458 3.829864 11.550798 -94 2 0.21596 5.973334 12.667734 -95 1 10.017517 5.823156 11.545694 -96 1 8.076092 4.274718 8.540188 -97 2 7.924969 6.011881 10.326107 -98 1 8.12022 3.959556 11.608595 -99 1 8.110671 6.08702 13.353502 -100 1 8.135035 2.224763 9.76071 -101 1 8.056404 8.04948 8.608732 -102 1 7.867682 7.986347 11.444105 -103 1 0.057722 3.824193 8.62711 -104 1 9.981584 4.247366 7.362993 -105 2 4.013801 9.873296 9.982524 -106 1 2.329565 8.116478 7.435377 -107 2 5.950495 0.34488 9.79838 -108 1 4.334027 0.076447 11.746114 -109 2 7.945804 9.995075 13.009688 -110 1 2.027284 10.048274 11.752786 -111 2 7.985809 2.177851 7.348854 -112 2 0.227187 9.715111 13.080145 -113 1 4.369771 0.043973 14.298992 -114 1 9.913252 6.303629 8.785055 -115 1 7.984689 3.996322 14.285297 -116 1 6.286022 9.901661 11.434457 -117 2 9.978329 0.129998 10.093528 -118 2 9.898021 7.994926 13.146433 -119 1 2.438629 0.033347 18.603552 -120 2 2.19485 3.927092 15.921048 -121 1 2.266036 2.0106 17.298124 -122 2 2.190625 4.002775 18.808528 -123 1 2.529808 1.858131 19.802924 -124 1 2.121536 8.100548 15.903723 -125 1 1.999174 5.945764 17.409821 -126 2 2.399752 8.317077 18.513998 -127 1 2.085018 6.322971 20.123548 -128 1 0.132331 7.834943 14.417244 -129 2 0.191888 2.055829 18.456008 -130 1 8.035826 8.278124 14.487514 -131 2 3.964165 5.965398 16.034244 -132 1 3.977251 4.106829 17.287135 -133 1 4.083409 6.186923 18.749777 -134 1 4.118697 4.16167 19.924445 -135 2 0.168486 10.031098 15.738364 -136 1 9.834776 5.750065 20.057158 -137 1 4.513739 7.925063 17.284367 -138 1 0.224638 6.311966 18.562 -139 1 4.05173 8.065927 20.327367 -140 1 4.020498 7.877514 14.44079 -141 1 4.143142 1.813412 15.801004 -142 1 2.214548 1.829361 14.565296 -143 2 4.407757 2.318175 18.721975 -144 2 6.016403 3.935276 15.745347 -145 1 6.343375 1.849436 17.205365 -146 2 6.615021 3.988745 18.735217 -147 1 6.455591 1.950789 20.137809 -148 1 6.179932 9.794709 17.21643 -149 2 6.237707 7.849925 15.743301 -150 1 6.151976 5.985244 17.227932 -151 2 6.178229 7.773511 18.829625 -152 1 6.147011 5.845856 20.064817 -153 2 4.124664 9.743815 15.83873 -154 1 8.065185 1.771116 18.726928 -155 1 6.149514 1.938847 14.518073 -156 2 8.136444 6.024316 15.560218 -157 1 8.139342 3.949043 16.901849 -158 1 8.143554 6.219717 18.549219 -159 1 8.181775 3.5232 20.518875 -160 1 1.876074 6.12577 14.691379 -161 2 9.729818 3.920007 18.490075 -162 1 8.23825 8.027751 17.068995 -163 1 4.103417 9.893021 18.750211 -164 1 8.095744 7.73466 20.44646 -165 2 8.348453 1.630886 15.803105 -166 1 0.114526 2.216943 15.877394 -167 2 4.178332 6.016772 21.363439 -168 1 1.899673 9.855866 20.182773 -169 1 0.06894 8.212942 17.306197 -170 1 5.88851 5.844373 14.487209 -171 1 0.059742 4.374953 14.646907 -172 1 3.878323 4.145978 14.489788 -173 2 4.294142 2.069501 21.441214 -174 1 8.064234 9.497999 18.769847 -175 1 0.054546 7.976599 20.116681 -176 1 8.525044 0.101361 14.328798 -177 2 9.906967 7.812697 18.799053 -178 1 2.121141 3.832231 21.274441 -179 2 0.246791 1.874452 21.452019 -180 1 0.500726 0.008693 17.033685 -181 1 6.032205 3.972779 21.459867 -182 1 6.228607 9.827219 20.293439 -183 1 1.999764 9.905509 14.422608 -184 2 0.044761 6.18458 27.221929 -185 1 2.164891 1.954699 22.914632 -186 1 2.035794 3.798225 24.476506 -187 1 2.328794 2.047568 26.040855 -188 2 1.965861 4.051758 27.120895 -189 1 0.39788 0.200226 23.107141 -190 1 2.011846 6.031691 22.819617 -191 2 1.784066 7.880599 24.253767 -192 1 1.950682 5.925284 25.629958 -193 1 2.108877 7.833186 26.877206 -194 2 1.9192 8.201599 21.667898 -195 1 1.939171 2.209822 28.547 -196 1 0.09557 5.722002 24.118636 -197 1 0.059192 4.031101 25.673341 -198 1 4.156274 3.971969 23.108429 -199 2 3.825507 5.899235 24.328013 -200 1 3.962602 4.17038 25.711458 -201 2 4.032842 6.194348 27.234817 -202 2 8.150839 1.460228 21.735164 -203 1 3.925207 7.821015 23.037858 -204 1 6.069434 7.849806 21.58918 -205 1 4.081687 8.179044 25.728661 -206 1 2.137517 -0.00179 27.361868 -207 1 8.039753 0.124328 26.068543 -208 2 4.114742 2.131087 24.2305 -209 1 3.99908 4.281021 28.716402 -210 2 4.144388 2.150469 27.49599 -211 1 6.148998 1.905923 22.975359 -212 2 6.074117 3.917472 24.352374 -213 1 6.069578 2.074776 25.719405 -214 1 6.002174 3.93371 27.186956 -215 1 0.192839 0.413941 26.157945 -216 1 6.145721 5.660607 23.004422 -217 2 6.18359 8.088504 24.428869 -218 1 6.000198 5.825479 25.71821 -219 1 6.173333 7.895994 27.094366 -220 1 3.765773 8.320714 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28.967975 -250 2 2.173984 4.036239 30.18994 -251 1 2.138694 1.819959 31.295867 -252 1 1.8032 4.150642 32.867061 -253 1 2.047457 2.163034 34.573733 -254 1 9.757157 5.856956 31.585972 -255 2 1.984761 8.057482 30.442659 -256 1 1.902189 6.299208 31.518263 -257 1 2.00465 7.876566 33.246864 -258 1 2.092474 5.940699 34.381242 -259 1 9.849722 7.582239 35.867784 -260 1 5.975592 5.892618 28.820784 -261 1 7.881925 4.231188 28.715136 -262 2 3.96919 6.108456 30.036646 -263 1 4.304991 4.019067 31.58604 -264 2 3.874978 6.090045 33.013177 -265 1 3.883657 4.012262 34.047762 -266 2 7.971177 9.618775 30.35461 -267 1 4.038509 7.895079 31.563612 -268 2 9.882866 8.060992 32.88089 -269 1 3.852553 7.973326 34.658588 -270 2 8.029513 1.689238 30.31777 -271 1 4.163056 1.923283 30.299358 -272 2 0.30731 9.900525 33.238415 -273 2 4.286428 1.824819 32.900834 -274 1 9.963603 9.801963 34.332483 -275 2 3.829562 9.892246 30.191697 -276 1 9.951156 5.869139 34.267282 -277 2 5.906886 3.824945 29.956531 -278 1 6.25019 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4.259742 2.109154 35.845693 -308 1 0.073352 8.062334 31.580545 -309 1 2.343233 1.989964 37.694901 -310 2 2.150594 4.054688 38.94671 -311 1 2.220728 2.214963 40.389648 -312 1 1.840714 4.304025 41.598649 -313 2 9.851649 3.872566 35.963799 -314 1 2.171019 6.014511 37.248316 -315 2 2.118925 8.126344 38.698529 -316 1 1.822848 6.187734 40.065258 -317 2 2.097718 8.187189 41.619939 -318 1 5.93254 8.110487 35.997205 -319 2 3.991484 5.882555 36.007498 -320 1 -0.012189 2.312888 41.535278 -321 1 6.078554 2.106397 42.961776 -322 1 3.941822 4.118266 37.343966 -323 1 4.059669 5.911086 38.924125 -324 1 4.243788 3.888032 40.060591 -325 2 3.820624 6.044866 41.295946 -326 2 9.921226 7.931661 38.579473 -327 1 4.030107 8.077903 37.285568 -328 1 3.918623 8.293708 40.297934 -329 1 2.161715 0.295479 39.355772 -330 1 1.716889 2.19297 42.95232 -331 2 4.139092 2.020988 38.874164 -332 2 8.155884 2.03133 41.766174 -333 2 3.98996 1.998471 41.86428 -334 2 1.955968 0.141806 41.468358 -335 1 6.069098 1.899748 37.679166 -336 1 6.110129 4.162369 38.769973 -337 1 6.048711 1.964619 40.3533 -338 2 6.141685 4.080722 41.680286 -339 2 1.734148 7.924023 35.925666 -340 1 5.872871 5.91257 37.264731 -341 2 5.753737 7.986748 38.662109 -342 1 5.807845 6.31024 40.213219 -343 1 5.79237 8.001638 41.901361 -344 2 8.181288 1.933518 38.589357 -345 2 6.088869 0.149377 35.933147 -346 2 0.152044 2.044738 38.698728 -347 1 7.919916 4.061438 37.378114 -348 1 7.776014 6.110537 39.000834 -349 1 8.002842 3.968503 40.117098 -350 2 7.754178 6.072063 41.527234 -351 1 7.780881 8.064429 37.254184 -352 1 6.291803 9.911181 40.204209 -353 1 7.950217 8.083051 39.741264 -354 1 8.204143 1.891724 36.164896 -355 1 9.851277 5.652981 37.621043 -356 1 9.716265 5.972383 42.996371 -357 2 7.856305 5.967135 36.020692 -358 1 0.364357 2.154651 36.203036 -359 1 0.193149 4.044633 40.128658 -360 1 0.208035 7.768173 42.967627 -361 1 9.743918 7.677695 41.398408 -362 1 4.262636 0.235264 37.428049 -363 1 8.043101 8.089437 43.017835 -364 1 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1.858391 24.143262 24.54091 -1688 1 1.92322 22.037958 26.014344 -1689 1 1.873581 24.120193 27.327097 -1690 1 9.990413 29.853539 23.150967 -1691 2 2.156915 20.057605 24.641169 -1692 1 1.872531 26.071029 22.99689 -1693 2 1.867105 28.277687 24.264818 -1694 1 1.796793 26.121277 25.868141 -1695 2 2.219264 28.16962 27.188775 -1696 2 9.732986 23.902812 24.688554 -1697 1 5.98242 29.65784 25.757328 -1698 2 4.017529 21.730676 24.661145 -1699 2 4.314291 22.245683 27.341092 -1700 2 7.991609 29.927363 21.702937 -1701 1 3.894338 23.823029 23.198057 -1702 2 3.78793 25.866958 24.56181 -1703 1 4.006697 23.819955 25.72629 -1704 1 3.957079 26.004901 27.249062 -1705 1 6.232741 27.830565 21.763627 -1706 1 4.033783 27.915245 22.999947 -1707 1 0.087599 23.891831 22.90203 -1708 1 4.159443 27.875043 25.675795 -1709 1 9.876173 23.912808 27.278585 -1710 1 8.008994 29.708361 24.496986 -1711 1 5.796043 22.016157 22.850676 -1712 2 6.028853 23.990126 24.403856 -1713 1 6.34985 22.058572 25.909456 -1714 1 5.997938 23.949506 27.544455 -1715 2 9.972938 20.0169 27.489172 -1716 1 5.703997 25.711756 23.09432 -1717 2 6.280153 27.688392 24.474129 -1718 1 5.849202 25.758661 25.982363 -1719 2 5.933837 27.749401 27.395382 -1720 1 3.845896 20.13447 26.326059 -1721 1 1.926669 29.939905 28.626722 -1722 1 7.922929 22.1633 24.335514 -1723 2 8.344669 22.25109 27.215609 -1724 2 8.071558 26.117467 21.751054 -1725 1 7.968057 24.030988 22.727487 -1726 1 7.880729 25.822015 24.453191 -1727 1 7.761149 24.101212 25.874457 -1728 2 8.001074 25.678691 27.331612 -1729 1 8.199395 27.998508 23.147257 -1730 1 7.958944 27.762717 25.92964 -1731 2 6.105711 19.923887 27.319612 -1732 2 8.311788 29.835697 27.460372 -1733 1 0.010508 25.892668 24.309353 -1734 1 8.223805 20.060932 22.851601 -1735 1 8.056356 20.284564 28.761815 -1736 1 9.690116 27.803495 27.615456 -1737 1 9.827582 22.075609 22.638185 -1738 1 0.04681 27.870388 25.583825 -1739 2 1.854514 20.151336 27.561133 -1740 1 8.263011 20.002518 25.592661 -1741 1 4.010108 28.120308 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-1769 1 3.905879 27.969139 31.838347 -1770 2 9.854146 28.058626 30.296512 -1771 1 3.779252 28.116412 34.495303 -1772 1 9.896008 23.604726 30.76787 -1773 1 5.834675 29.939037 28.667512 -1774 2 5.776089 24.020213 30.371621 -1775 1 5.904354 22.03533 31.674341 -1776 2 5.555846 24.041033 33.033625 -1777 1 5.320865 21.956109 34.328935 -1778 1 4.014827 24.047016 29.023606 -1779 1 8.135704 24.045338 28.967134 -1780 2 5.838501 28.161605 30.300142 -1781 1 6.028928 25.762962 31.778482 -1782 2 5.949245 27.840682 33.103347 -1783 1 6.362363 25.902461 34.39925 -1784 1 7.81058 20.070316 34.587706 -1785 2 9.903459 27.99613 33.001775 -1786 1 0.232461 28.190603 28.813738 -1787 2 8.234656 21.917561 30.419501 -1788 2 7.904954 21.779034 32.964622 -1789 1 7.852524 27.919044 34.569765 -1790 1 7.595396 28.048353 31.625959 -1791 2 7.925112 25.887627 30.394049 -1792 1 7.728644 23.97055 31.916084 -1793 1 8.515126 26.113194 32.84505 -1794 1 7.87091 24.018792 34.546662 -1795 1 5.909818 25.850381 28.937903 -1796 1 1.855525 29.676343 34.402837 -1797 2 1.806439 20.090666 33.039472 -1798 1 7.815372 27.873969 28.973443 -1799 1 -0.02518 25.867262 33.08217 -1800 1 3.939606 30.030686 30.487508 -1801 2 9.865144 23.649709 33.392389 -1802 2 5.779526 24.002128 35.664124 -1803 1 4.247465 25.982549 35.80953 -1804 1 0.012022 24.158979 31.494615 -1805 1 5.845287 29.969937 34.69315 -1806 2 8.436976 26.046465 35.817561 -1807 1 7.795622 29.898607 30.128644 -1808 2 7.768617 22.215251 35.856895 -1809 2 7.93569 29.886699 33.196602 -1810 1 9.883607 29.838353 28.975335 -1811 1 1.946835 22.280384 43.066776 -1812 1 1.809398 21.863784 37.34337 -1813 1 1.976036 23.841911 38.755625 -1814 1 1.767727 21.824198 40.56452 -1815 2 2.083742 24.029053 41.450421 -1816 1 7.673731 20.199299 40.455877 -1817 1 3.883739 20.063979 37.43537 -1818 1 1.962857 26.015373 37.239011 -1819 1 1.855742 27.865871 38.783671 -1820 1 1.946136 26.114415 40.445845 -1821 2 1.342698 28.356759 41.677946 -1822 1 3.866247 20.162337 40.622125 -1823 2 3.812973 22.128926 36.114766 -1824 2 3.760552 22.028975 39.129353 -1825 1 0.120133 23.847195 42.944885 -1826 2 4.069006 22.075437 41.863068 -1827 1 5.907632 20.36903 38.501592 -1828 1 7.614067 27.968649 40.109559 -1829 1 3.897056 23.931653 37.406176 -1830 2 3.67424 25.831572 38.858188 -1831 1 3.697155 23.98423 40.178372 -1832 1 3.958999 25.902285 41.773782 -1833 1 9.702453 23.999789 36.048473 -1834 1 3.862301 28.11303 37.453615 -1835 1 3.835868 28.048802 40.57469 -1836 2 5.854804 27.776995 36.005821 -1837 1 2.018496 25.837414 42.987148 -1838 1 9.960693 25.630934 40.389307 -1839 1 5.93268 22.351558 37.363635 -1840 2 5.893761 24.161725 38.918752 -1841 1 5.808679 22.051292 40.511129 -1842 2 5.792864 24.116392 41.554559 -1843 1 9.64084 21.675057 37.276932 -1844 1 7.878713 27.9153 37.259426 -1845 1 6.175937 25.901323 37.471311 -1846 2 5.668787 27.931006 38.872038 -1847 1 5.833656 25.947867 40.073284 -1848 1 5.883119 28.188772 41.564271 -1849 1 1.968623 29.760132 37.440712 -1850 1 9.720776 21.931094 39.953354 -1851 2 7.71657 22.068573 38.940437 -1852 2 7.898218 26.165005 41.361678 -1853 2 8.069464 22.281116 41.639197 -1854 1 7.671941 23.931719 37.325285 -1855 2 8.224025 25.910081 38.501705 -1856 1 7.708054 24.12057 40.424826 -1857 1 3.73122 28.006194 42.903257 -1858 2 5.75438 20.111404 41.853219 -1859 1 9.831402 27.825768 38.818019 -1860 1 7.702614 27.990192 42.759806 -1861 1 7.820889 20.318748 42.936774 -1862 1 1.696378 24.07867 36.051323 -1863 2 1.929861 28.112364 36.261692 -1864 2 5.747452 20.123867 36.071437 -1865 2 9.856877 23.914266 38.695016 -1866 2 7.756468 29.813429 38.680181 -1867 1 7.682461 20.159018 37.348845 -1868 2 9.776865 19.989829 38.744389 -1869 1 9.815791 23.652977 41.622566 -1870 1 7.858893 24.330568 42.982576 -1871 2 8.002454 29.899258 41.430193 -1872 1 0.077683 20.128085 37.436998 -1873 2 1.626697 20.07364 41.83293 -1874 1 1.777573 31.918884 4.516148 -1875 1 0.224503 39.97377 2.747323 -1876 1 2.112303 39.817069 4.528393 -1877 2 1.981899 32.150865 1.347891 -1878 1 2.322442 33.979858 3.19387 -1879 2 2.096374 36.191635 4.230691 -1880 1 1.999648 34.152278 5.938815 -1881 1 1.73114 30.291033 2.935219 -1882 1 3.665367 29.983954 1.275677 -1883 2 1.943018 36.004664 1.697384 -1884 1 2.019378 38.176143 2.972324 -1885 1 2.19126 37.889176 5.917314 -1886 1 0.019605 35.984478 3.104091 -1887 2 7.787834 30.403461 4.344497 -1888 1 6.050812 33.918162 -0.027918 -1889 1 3.814711 31.691419 2.816277 -1890 2 4.20332 33.715468 4.180703 -1891 1 3.914581 32.066382 5.971622 -1892 2 3.895933 33.805468 1.20281 -1893 1 4.340385 35.802877 2.943593 -1894 1 4.271659 37.949305 4.314292 -1895 1 4.068788 35.686982 5.513423 -1896 2 4.190929 37.662517 7.182865 -1897 2 4.200636 38.226632 1.691189 -1898 1 9.716958 31.962759 4.249426 -1899 1 5.810481 32.019245 4.382481 -1900 1 5.938979 35.885235 7.16864 -1901 1 0.267384 35.760048 6.061532 -1902 2 6.018619 31.95181 1.612974 -1903 1 5.938914 34.057443 2.77635 -1904 2 6.183116 36.065698 4.376274 -1905 1 6.089476 34.019022 5.411901 -1906 1 6.359106 35.990867 1.578601 -1907 1 6.152011 38.058648 2.943561 -1908 1 5.711164 30.034724 2.988084 -1909 1 6.045542 37.798257 5.727308 -1910 1 8.009398 36.153578 0.053676 -1911 1 0.238276 33.896375 4.533811 -1912 1 7.902329 32.340963 2.922426 -1913 2 8.222407 34.13168 4.116176 -1914 1 7.936717 32.22354 5.888103 -1915 2 8.123641 38.41175 1.891536 -1916 2 7.927555 34.06589 1.21075 -1917 1 8.412195 35.913547 2.85742 -1918 1 8.139566 38.142702 4.120627 -1919 1 8.317254 36.194514 5.407003 -1920 1 4.034964 36.04412 0.47011 -1921 2 3.83481 30.240395 4.561724 -1922 2 0.249553 38.107374 7.140438 -1923 1 2.126706 37.874136 0.15149 -1924 1 9.770714 33.872567 5.735309 -1925 1 7.651907 31.89674 -0.001589 -1926 1 6.265497 38.190114 0.387488 -1927 2 0.091323 38.034686 1.579889 -1928 1 6.013525 30.091058 5.903567 -1929 2 9.613745 31.989409 1.558474 -1930 1 9.893134 38.099463 -0.000176 -1931 1 0.012372 34.088485 1.353111 -1932 1 1.957372 34.025261 0.135755 -1933 1 9.930552 30.036571 0.064988 -1934 1 1.356847 30.09059 0.587218 -1935 2 2.165378 39.90345 7.155948 -1936 1 9.928802 38.103943 5.693619 -1937 1 4.231897 39.892291 5.78739 -1938 2 3.93426 34.036259 7.069656 -1939 2 2.074177 32.270109 10.089125 -1940 1 3.932043 30.108354 7.345143 -1941 2 1.820986 31.836134 13.124076 -1942 1 1.929382 34.316614 8.776464 -1943 2 2.083627 36.058658 10.081855 -1944 1 1.997221 33.916084 11.577718 -1945 1 2.267799 35.662279 13.073333 -1946 2 4.209744 30.111608 9.908398 -1947 1 2.104601 38.082098 8.735584 -1948 2 8.24053 38.05696 7.216926 -1949 1 2.109203 38.067126 11.734018 -1950 2 0.042241 38.005125 10.32451 -1951 1 1.957287 39.865839 10.426779 -1952 2 8.203196 30.05132 9.912922 -1953 1 2.246349 30.143579 11.639665 -1954 1 4.199959 32.106503 8.70465 -1955 1 3.976417 34.112906 10.198306 -1956 1 3.884958 31.967651 11.562891 -1957 2 4.063522 34.032621 13.004991 -1958 1 4.232266 36.19468 8.962151 -1959 2 4.097197 38.230412 10.13239 -1960 1 4.118617 35.849094 11.679739 -1961 2 4.350691 37.885411 12.898671 -1962 1 6.201046 32.417633 10.15369 -1963 2 5.816252 31.722772 13.101456 -1964 1 6.157578 39.769939 7.197304 -1965 1 6.184596 34.126547 8.504052 -1966 2 6.346713 35.703957 10.195727 -1967 1 6.288059 33.992499 11.799552 -1968 1 6.483281 35.967443 12.860859 -1969 2 7.835082 34.145462 7.179037 -1970 1 6.256423 37.691882 8.993285 -1971 1 6.2337 37.988064 11.537765 -1972 2 9.772215 31.919829 7.180665 -1973 1 7.981132 32.165581 14.333143 -1974 1 2.309997 36.061233 7.359038 -1975 1 4.433034 36.045633 14.35862 -1976 1 7.955328 32.223129 8.507808 -1977 2 8.286523 34.141907 10.013388 -1978 1 7.939052 31.949186 11.600717 -1979 1 8.104476 34.231193 13.030137 -1980 2 1.884476 31.865234 7.19113 -1981 1 8.333692 36.082489 8.414603 -1982 2 8.168537 38.03579 10.329742 -1983 1 8.420403 35.985684 11.517078 -1984 1 8.327179 38.029547 12.910471 -1985 2 6.20532 31.903657 7.381951 -1986 2 0.085009 37.638839 13.154459 -1987 1 7.552329 30.251663 13.212821 -1988 2 2.355047 39.830169 13.072665 -1989 1 0.148785 31.885164 11.209718 -1990 1 1.848807 30.245173 8.940225 -1991 1 0.166389 36.076965 8.575072 -1992 1 5.894085 30.228735 11.200379 -1993 1 0.232408 36.202468 11.578646 -1994 1 2.4752 37.687884 14.341623 -1995 1 0.334254 39.866494 8.663952 -1996 1 0.04027 39.756099 11.961945 -1997 1 0.083418 34.195005 10.175316 -1998 2 0.043097 34.005541 7.193221 -1999 2 0.052476 33.834131 12.929227 -2000 1 8.114393 39.929142 8.406226 -2001 1 6.281515 37.719535 14.225496 -2002 2 9.768912 32.130689 12.866513 -2003 1 9.864669 32.192496 10.045288 -2004 1 0.028148 32.153045 8.783822 -2005 2 6.417236 39.879341 13.202851 -2006 1 8.005375 39.836615 20.349358 -2007 2 2.017709 31.870952 15.889762 -2008 2 7.716399 30.062983 18.430151 -2009 2 2.119264 32.351346 19.061283 -2010 2 6.658976 39.77428 18.733464 -2011 2 2.321302 35.607604 15.702355 -2012 1 1.966843 34.024507 17.339235 -2013 2 2.33321 35.646813 18.814154 -2014 1 1.794484 34.194282 20.582509 -2015 1 1.984336 29.928657 17.680043 -2016 1 2.238075 37.571948 17.445144 -2017 1 4.466772 39.923317 17.544828 -2018 1 2.072213 37.924398 20.106708 -2019 1 3.990864 31.761546 14.785242 -2020 1 4.020518 33.927189 15.729606 -2021 1 3.897539 31.807357 17.561737 -2022 1 4.265924 33.937397 18.871352 -2023 1 4.376327 32.03663 20.389624 -2024 1 6.400496 39.782735 15.767263 -2025 2 4.461272 37.709843 15.835142 -2026 1 4.42096 35.817684 17.119638 -2027 2 4.054798 37.811976 18.867409 -2028 1 3.994208 35.957797 20.233365 -2029 1 1.972412 30.096734 20.271564 -2030 1 5.988832 31.90054 15.667667 -2031 2 6.100535 31.913125 18.798462 -2032 1 0.28224 35.927235 17.246921 -2033 1 9.878186 30.085685 17.138849 -2034 1 6.416487 35.895999 15.857104 -2035 2 5.962689 34.078738 16.936543 -2036 1 6.325491 35.483857 19.110752 -2037 1 6.245971 33.832167 20.618167 -2038 1 6.042072 33.77268 14.335557 -2039 1 6.090957 37.771252 17.365844 -2040 1 9.965189 29.988789 20.309186 -2041 1 6.076905 37.611337 20.045471 -2042 1 5.896032 30.00014 17.243068 -2043 1 8.07936 33.904732 15.859046 -2044 1 8.054869 32.064974 17.179067 -2045 1 8.005802 33.797373 18.711026 -2046 1 8.057981 31.963545 20.146211 -2047 2 0.309963 38.150861 18.320971 -2048 1 4.115614 39.67221 20.110889 -2049 2 8.081998 38.170352 15.777895 -2050 2 7.937916 35.762545 17.421317 -2051 1 8.272271 37.86978 18.956105 -2052 1 8.283257 35.777381 20.31464 -2053 2 9.912436 31.930176 18.604112 -2054 1 2.15249 33.697753 14.456595 -2055 1 0.288827 35.769857 14.514595 -2056 1 9.431672 30.130483 14.363583 -2057 1 0.624667 37.928674 15.889499 -2058 1 0.369054 40.000083 14.57263 -2059 2 5.942885 39.825627 21.411058 -2060 1 9.76097 33.878497 17.458218 -2061 2 0.14271 33.917279 15.694226 -2062 2 2.613349 39.786493 15.882906 -2063 1 0.15616 32.064048 17.607407 -2064 1 0.501157 36.231429 19.757287 -2065 2 7.853228 37.879054 21.493266 -2066 1 8.40404 36.033982 14.443136 -2067 1 5.978084 35.745639 21.414064 -2068 1 2.414514 39.921406 21.485839 -2069 1 8.394858 39.84133 17.231562 -2070 1 9.943699 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8.066166 34.059994 35.985915 -2207 1 3.824906 38.319745 35.969644 -2208 1 3.815912 32.262032 37.267139 -2209 2 4.132708 34.340878 38.9567 -2210 1 3.435978 32.242218 40.08806 -2211 1 4.071252 34.011712 41.583855 -2212 2 4.03848 30.313123 38.689502 -2213 1 4.039784 36.461748 37.636198 -2214 2 4.02582 38.411413 38.939678 -2215 1 4.241584 36.246066 40.448227 -2216 1 4.421267 38.163554 42.158062 -2217 1 5.87904 30.097527 37.287514 -2218 1 1.745875 30.148744 39.879696 -2219 1 3.87158 30.278956 36.129321 -2220 1 5.779907 32.116694 38.901708 -2221 2 5.878059 32.06623 41.319676 -2222 1 9.907779 34.083209 37.370923 -2223 1 5.946851 36.074854 36.270388 -2224 1 6.304421 34.081779 37.566187 -2225 2 6.13795 36.178887 39.01932 -2226 1 6.106508 34.058167 40.359196 -2227 2 5.944008 35.955011 41.911781 -2228 2 9.729061 31.901065 36.13724 -2229 1 6.056364 38.102117 37.414763 -2230 1 6.117136 37.956466 40.449149 -2231 1 0.188776 35.966311 40.600947 -2232 2 7.999762 38.344429 41.988837 -2233 1 7.953999 36.369516 40.730177 -2234 1 0.189466 38.289679 41.687525 -2235 1 7.801687 31.891539 37.359303 -2236 2 8.131274 34.190693 38.953889 -2237 1 8.052981 32.026282 40.028777 -2238 1 8.017124 33.677118 41.685424 -2239 2 0.093511 34.161123 38.736845 -2240 1 8.17538 35.855626 37.49563 -2241 2 8.213414 37.903436 38.842942 -2242 1 5.897129 30.088055 42.849046 -2243 2 9.722674 31.812219 41.677675 -2244 1 8.173494 39.857056 37.389544 -2245 1 9.884804 36.189362 39.171812 -2246 2 8.0462 37.98228 36.246007 -2247 1 6.388983 39.893306 39.020102 -2248 1 0.037781 36.274461 37.302828 -2249 2 0.550769 38.045147 39.236602 -2250 1 3.928151 31.954865 42.946555 -2251 1 9.900801 30.227312 40.00223 -2252 1 9.819362 32.160653 38.612752 -2253 2 9.843399 35.860565 35.989456 -2254 1 9.953979 33.665956 43.08957 -2255 1 8.21353 39.945412 40.228479 -2256 2 17.904096 20.199887 1.406355 -2257 2 14.072258 19.987663 1.79428 -2258 2 19.928414 25.965217 1.479817 -2259 1 14.010818 29.939856 2.763411 -2260 1 19.794156 29.893561 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38.018734 22.01441 40.25018 -5608 1 37.998999 23.83693 41.969539 -5609 1 32.000064 20.176196 37.541736 -5610 2 37.944544 27.863124 35.858277 -5611 1 39.781907 29.831429 35.898085 -5612 2 35.490384 29.962999 41.453455 -5613 1 39.758098 24.039153 37.528235 -5614 2 39.892583 25.906438 41.854944 -5615 1 36.285268 19.999603 40.745261 -5616 2 30.09655 24.022449 41.945798 -5617 2 39.993697 25.996395 38.728838 -5618 1 37.81422 26.290042 42.848087 -5619 2 30.055901 19.935486 38.573149 -5620 1 37.973864 20.290243 36.046389 -5621 1 39.678251 27.704428 37.302745 -5622 2 39.966918 21.895199 38.767152 -5623 1 39.609699 27.894456 40.148854 -5624 1 35.857722 20.273774 37.567161 -5625 2 31.876516 29.975478 41.679184 -5626 2 29.990823 24.134634 38.782012 -5627 1 30.110123 28.422528 35.957979 -5628 1 30.166791 21.94758 37.4415 -5629 1 32.168293 24.104265 42.975893 -5630 1 35.411443 29.813844 38.643913 -5631 2 37.976528 20.120682 38.533653 -5632 1 39.779362 30.230874 4.652211 -5633 1 29.983878 33.982126 0.04316 -5634 2 30.086369 31.993647 4.231995 -5635 2 33.932165 39.866251 7.068893 -5636 1 32.059505 32.251117 2.629522 -5637 2 31.867763 34.040728 3.960388 -5638 1 31.932973 31.808697 5.917256 -5639 1 30.007373 39.943466 4.51009 -5640 2 39.207186 30.079079 1.703674 -5641 1 32.016417 34.359045 1.391175 -5642 1 32.0796 36.080574 2.990027 -5643 2 32.125016 37.982811 4.244242 -5644 1 32.039867 35.855789 5.754866 -5645 2 30.356301 36.250302 1.436559 -5646 1 32.110296 38.00744 1.426636 -5647 1 33.998604 30.067664 5.743991 -5648 2 33.695324 31.983255 4.383442 -5649 2 30.152086 36.019627 4.245065 -5650 2 34.240197 32.341445 1.32205 -5651 1 33.885438 34.090868 2.902626 -5652 2 34.178132 35.93225 4.482376 -5653 1 33.856287 33.915557 5.543055 -5654 2 34.187255 35.904801 1.570832 -5655 1 34.049489 37.902242 2.794215 -5656 1 34.196846 37.782622 5.597948 -5657 1 32.010141 29.994854 3.963328 -5658 1 30.085473 38.058327 2.970114 -5659 1 37.563886 30.425407 3.132393 -5660 1 35.867335 32.241913 3.116156 -5661 2 35.974255 34.126395 4.519526 -5662 1 36.004069 32.109611 5.814404 -5663 1 34.085538 39.906327 4.293478 -5664 1 36.097439 33.990507 1.502757 -5665 1 36.087679 36.048793 3.035352 -5666 2 36.278328 38.155374 4.063777 -5667 1 36.249913 36.355424 5.927679 -5668 2 31.890573 30.350964 1.619094 -5669 2 31.962807 37.754434 7.179059 -5670 1 35.973947 37.892913 1.48124 -5671 2 35.839322 30.204876 4.375075 -5672 1 37.935879 32.177401 4.195289 -5673 1 38.101493 38.10187 5.953049 -5674 2 37.852909 32.388628 1.664291 -5675 1 37.942171 34.0458 3.006996 -5676 2 38.2641 36.15208 4.530503 -5677 1 38.039433 34.206108 5.79566 -5678 1 33.979517 30.322401 2.668635 -5679 2 38.266202 35.993947 1.484331 -5680 1 38.067048 38.040012 2.752414 -5681 1 37.733806 30.096455 5.970187 -5682 1 39.682213 32.091472 5.993971 -5683 1 39.817487 31.930363 0.000367 -5684 1 36.043395 39.59783 5.676369 -5685 1 31.869558 32.098607 0.138261 -5686 1 39.734652 32.347843 3.042732 -5687 2 40.028718 38.187031 4.420077 -5688 1 35.900797 34.287592 6.911917 -5689 1 34.035098 34.219002 0.088382 -5690 1 35.958161 30.177564 1.36017 -5691 2 34.104037 39.871769 1.666144 -5692 2 31.713648 30.030149 13.126076 -5693 2 38.102561 35.967156 7.519894 -5694 2 31.857312 30.233676 7.601269 -5695 1 34.289545 38.267283 14.401123 -5696 2 35.86683 30.19377 7.315341 -5697 1 30.215661 34.162037 8.437432 -5698 2 32.177106 33.712521 7.258256 -5699 2 36.086337 30.089865 10.102229 -5700 1 31.904414 32.116466 8.706393 -5701 1 31.937094 33.843414 10.07911 -5702 1 31.979885 32.115442 11.535778 -5703 2 31.646163 34.054645 12.923349 -5704 2 34.238187 35.954151 7.232689 -5705 1 32.107596 35.868544 8.568472 -5706 1 31.872832 37.740296 10.246254 -5707 1 32.382757 36.08172 11.390228 -5708 1 31.907287 38.043268 12.759712 -5709 1 33.814113 30.280416 11.361764 -5710 1 30.217972 36.108976 12.75806 -5711 2 33.902634 32.114854 10.131038 -5712 1 33.57231 32.104408 13.09734 -5713 1 31.808268 30.066503 10.372268 -5714 1 34.074533 34.09759 8.82773 -5715 2 34.112978 35.879639 10.008535 -5716 1 33.847258 34.132738 11.781858 -5717 2 33.938795 36.222314 13.025522 -5718 2 29.978741 32.187816 10.235973 -5719 1 34.055911 38.08124 8.660649 -5720 1 33.602601 34.200907 14.256884 -5721 1 34.074479 38.033056 11.548004 -5722 2 36.270647 38.06342 7.227717 -5723 1 35.834976 32.087215 8.752976 -5724 2 36.060859 33.636235 10.421377 -5725 1 35.993855 31.835332 12.022895 -5726 2 35.800428 33.936835 13.252217 -5727 1 36.115212 35.929045 8.653718 -5728 2 36.22813 38.12211 10.18663 -5729 1 36.031176 36.067395 11.711353 -5730 2 36.290793 38.28804 13.110371 -5731 1 38.314803 39.87771 13.628157 -5732 2 37.813718 31.963763 10.266333 -5733 2 38.345306 31.61479 12.746628 -5734 1 37.993817 33.8253 8.828538 -5735 2 37.963385 36.024574 10.310583 -5736 1 37.917131 33.840219 11.529013 -5737 1 38.204273 36.194533 12.982689 -5738 1 38.223785 37.96125 8.694521 -5739 1 38.251957 38.103445 11.574783 -5740 1 32.162162 35.830151 14.368089 -5741 1 38.188088 39.835851 10.200529 -5742 2 37.943506 31.862097 7.486993 -5743 1 34.019779 32.099062 7.382655 -5744 1 37.835648 33.808569 14.272091 -5745 2 30.154664 36.008494 10.278616 -5746 2 34.005569 29.909902 14.221934 -5747 2 39.942399 30.201297 7.221972 -5748 1 31.669489 32.129787 14.202133 -5749 1 33.8553 30.102976 8.785283 -5750 1 36.285019 39.993992 8.473052 -5751 2 34.332311 39.811654 10.053333 -5752 1 32.287985 39.934755 8.544521 -5753 1 32.117424 39.894109 11.328559 -5754 1 34.070494 39.946648 12.675838 -5755 1 33.523905 30.237815 17.092452 -5756 1 37.796875 30.195733 20.074531 -5757 1 36.27689 36.076917 14.383428 -5758 1 31.912415 30.074316 18.962029 -5759 1 31.72877 30.195629 15.548548 -5760 1 39.683801 34.084414 18.996274 -5761 1 31.823255 34.23579 15.916954 -5762 1 32.081111 32.17144 17.423655 -5763 2 32.272671 34.141341 18.923237 -5764 1 31.890319 32.258592 20.174682 -5765 1 32.292252 37.789848 15.657298 -5766 1 31.865994 35.945048 17.430984 -5767 2 32.390605 38.101438 18.756338 -5768 1 32.536255 36.292415 20.33365 -5769 1 30.255802 37.826036 17.398086 -5770 2 30.361913 39.693462 15.767213 -5771 1 33.658364 32.195407 15.713634 -5772 1 37.521125 34.00621 20.179734 -5773 2 34.170474 31.959646 18.774747 -5774 2 30.146126 36.07111 19.193288 -5775 2 34.236512 36.009488 15.705407 -5776 1 33.893052 34.259763 17.152928 -5777 1 34.299465 36.26334 18.583767 -5778 1 34.414431 34.040341 19.801645 -5779 1 38.268782 38.067343 19.882736 -5780 1 38.192119 30.067346 14.65738 -5781 1 34.182659 38.172175 17.379208 -5782 1 34.285582 38.312236 20.114249 -5783 1 35.930101 31.821554 14.523145 -5784 1 38.166996 38.004859 14.725716 -5785 1 35.925271 33.697258 15.741088 -5786 1 35.628801 31.929644 17.21365 -5787 2 36.045808 34.231991 18.304721 -5788 1 36.066783 31.92807 19.890693 -5789 2 30.047091 31.872972 18.511468 -5790 1 38.23536 37.943903 17.225875 -5791 2 36.119549 38.085157 15.846243 -5792 1 36.28338 36.046451 17.021393 -5793 1 36.11202 38.183852 18.648108 -5794 1 36.196383 36.094959 20.14945 -5795 1 39.857714 32.070711 20.545667 -5796 2 38.277117 32.092018 16.056024 -5797 1 30.025257 33.999826 20.265429 -5798 2 37.984137 32.053017 18.664282 -5799 1 32.002215 39.814443 17.350923 -5800 2 38.174586 35.979296 18.941495 -5801 2 38.345772 36.135739 15.897296 -5802 1 38.047733 34.092532 17.193597 -5803 2 30.130578 35.962177 15.540359 -5804 2 36.401926 38.058554 21.346524 -5805 1 30.120957 38.000412 14.522433 -5806 1 30.488998 38.181884 20.233832 -5807 1 30.027329 34.063964 17.498188 -5808 1 37.840062 29.987227 17.565361 -5809 1 32.008478 30.033144 21.485715 -5810 2 39.774533 34.462138 21.415634 -5811 1 30.338184 36.208481 21.405811 -5812 1 29.947563 30.056036 17.165794 -5813 1 39.921352 31.819743 14.64622 -5814 2 34.22915 39.981504 21.655908 -5815 1 30.183329 38.19462 25.743477 -5816 1 35.907762 33.854845 21.824692 -5817 1 38.081846 38.241792 22.993384 -5818 2 34.075816 32.199578 21.47467 -5819 1 32.064265 31.912891 22.91255 -5820 1 31.883139 33.912773 24.608383 -5821 1 31.812805 31.862315 26.174015 -5822 2 32.311833 34.450426 27.53752 -5823 1 32.200878 36.145135 23.147334 -5824 2 32.211767 38.313372 24.442593 -5825 1 32.252693 36.173296 25.56014 -5826 2 32.184178 37.824314 27.059278 -5827 2 35.878916 30.070226 21.715039 -5828 1 37.668689 30.050641 23.045191 -5829 2 31.790668 34.251576 21.855242 -5830 1 30.175916 38.136754 23.248784 -5831 1 33.79328 31.909522 24.576174 -5832 2 33.915875 32.018888 27.178426 -5833 1 33.839278 34.11599 23.063711 -5834 2 34.250078 35.934833 24.487018 -5835 1 33.990054 34.106505 25.930061 -5836 1 34.091025 36.282124 27.332172 -5837 1 39.883217 38.455893 24.705928 -5838 2 38.008034 36.021219 27.398438 -5839 1 34.624327 37.896007 23.016853 -5840 1 34.168936 37.954274 25.436951 -5841 1 39.89339 34.048173 27.027007 -5842 1 38.248268 36.455753 21.536765 -5843 1 35.611768 31.698556 23.347142 -5844 2 36.148802 34.042768 24.34925 -5845 1 35.930043 32.125519 25.878398 -5846 2 35.950538 34.005205 27.219195 -5847 1 37.955393 34.076875 25.799656 -5848 1 37.973062 38.01909 26.230315 -5849 1 36.411999 36.023781 22.980871 -5850 2 36.283519 37.906374 24.521157 -5851 1 36.105429 36.189959 25.968065 -5852 2 35.830991 38.301536 27.267321 -5853 1 30.231426 34.188738 26.125408 -5854 1 30.281973 34.136127 28.552033 -5855 2 37.785563 31.866932 24.278312 -5856 2 31.348335 30.244331 27.485493 -5857 2 37.966809 32.115632 27.589764 -5858 2 35.66017 29.988788 24.878779 -5859 1 38.277476 34.130765 22.79239 -5860 2 37.959129 36.154297 24.437008 -5861 1 33.713618 30.108282 28.642398 -5862 1 39.822964 31.905463 23.110805 -5863 1 37.492689 32.09291 21.995043 -5864 2 30.127031 36.064739 24.638111 -5865 1 35.533243 30.110728 27.243438 -5866 1 36.070605 31.93122 28.695839 -5867 2 34.291131 35.85795 21.75028 -5868 1 31.938061 32.142881 28.504169 -5869 1 33.986813 39.867909 27.012668 -5870 1 30.10822 37.992396 28.395198 -5871 1 39.800701 30.030956 24.347523 -5872 2 39.892552 29.979658 27.134291 -5873 2 32.228297 37.952841 21.875429 -5874 2 39.977135 34.107266 24.499149 -5875 1 39.846344 36.406036 26.033584 -5876 1 32.059083 40.009476 28.464272 -5877 1 35.959269 39.965152 25.93262 -5878 2 30.460566 32.139968 24.447603 -5879 2 39.881804 38.087413 21.696502 -5880 1 30.134489 36.163809 33.336193 -5881 1 37.575878 38.100411 28.849489 -5882 1 37.662104 38.133383 31.571418 -5883 1 32.362045 39.87867 34.884405 -5884 1 39.873173 36.224308 34.920349 -5885 1 31.991424 34.085923 29.999612 -5886 1 31.815171 32.168756 31.641691 -5887 2 31.782096 34.063184 33.062024 -5888 1 31.718037 31.953527 34.554814 -5889 1 39.862898 38.376226 32.906485 -5890 1 37.551931 30.038119 34.432157 -5891 1 31.780802 37.997046 30.254783 -5892 1 31.834761 35.939821 31.604936 -5893 2 32.041736 38.210181 33.326919 -5894 1 32.203699 35.869978 34.596577 -5895 1 34.008946 38.074601 28.827076 -5896 1 37.899592 29.974959 28.916731 -5897 1 38.030007 33.96835 28.91396 -5898 2 33.846774 32.085103 30.081464 -5899 1 29.952597 30.143437 34.499248 -5900 1 33.915497 32.111271 33.150301 -5901 1 31.790321 30.23064 29.991804 -5902 2 37.907438 32.157735 35.935104 -5903 2 33.84716 36.05681 30.26538 -5904 1 34.0432 34.280307 31.67674 -5905 2 34.011752 36.10558 33.143956 -5906 1 33.824017 34.085576 34.552777 -5907 1 34.194027 34.072791 28.967937 -5908 1 33.894909 38.222801 31.657741 -5909 1 33.881652 38.078172 34.899329 -5910 1 38.119296 38.056464 34.569681 -5911 1 34.291634 39.920546 33.178111 -5912 1 33.581454 29.993619 34.681796 -5913 2 36.053229 33.87704 30.318866 -5914 1 35.873901 31.88411 31.537273 -5915 1 35.89848 33.774876 32.823618 -5916 1 35.828028 32.348885 34.478807 -5917 1 35.672787 37.928294 30.518119 -5918 1 35.989671 35.945619 31.826779 -5919 2 35.97259 38.32967 33.142576 -5920 1 35.703331 35.814769 34.580449 -5921 1 33.817908 30.208146 31.599942 -5922 1 35.844503 36.12033 28.831087 -5923 1 38.261976 32.096366 30.088155 -5924 2 37.797891 31.9048 33.114668 -5925 1 39.55682 31.880323 34.531549 -5926 2 37.75043 36.193675 30.248336 -5927 1 38.393997 33.98513 31.905095 -5928 2 37.963057 36.355009 33.181745 -5929 1 37.797425 34.035854 34.376018 -5930 1 30.050396 34.271558 31.538997 -5931 1 39.815357 36.070726 31.654601 -5932 2 39.731271 30.032678 30.327233 -5933 1 39.915975 31.952921 31.714062 -5934 2 31.84562 29.966231 33.068673 -5935 1 31.85693 36.270476 28.934934 -5936 1 31.866016 39.844488 31.814385 -5937 1 30.092134 34.094244 34.755273 -5938 1 39.694807 30.040539 32.997642 -5939 1 36.196648 35.960439 42.925128 -5940 2 32.015598 37.930066 36.230869 -5941 1 37.674069 30.102473 37.130906 -5942 1 39.699003 32.118698 37.217773 -5943 2 29.963786 31.633701 39.162197 -5944 1 32.058675 39.814086 37.607409 -5945 1 35.842471 33.971675 35.989822 -5946 1 34.028551 38.060871 42.983375 -5947 1 31.588672 31.941435 37.383683 -5948 2 31.694069 33.998273 38.693202 -5949 1 31.930294 31.884957 40.381472 -5950 2 32.11349 33.999595 41.798502 -5951 1 31.876844 36.011394 37.307134 -5952 2 31.893158 37.928813 38.973436 -5953 1 31.81531 35.668229 40.479844 -5954 2 31.787646 38.142244 41.698514 -5955 1 31.925559 36.23881 42.924197 -5956 1 36.004443 37.899297 36.000218 -5957 1 38.451312 38.205323 40.038254 -5958 2 33.656378 31.907332 38.819792 -5959 1 33.99011 31.933293 41.627228 -5960 2 37.707146 36.123239 36.332034 -5961 1 33.657247 33.955416 37.665398 -5962 1 33.73943 36.151957 39.054731 -5963 1 33.605884 33.957716 40.193208 -5964 2 34.011058 36.048882 41.690411 -5965 1 38.130598 34.242802 40.052446 -5966 1 34.167865 38.117836 37.628936 -5967 1 34.142536 38.424699 40.41195 -5968 1 40.005739 32.215658 40.003237 -5969 1 39.521882 33.977557 36.015643 -5970 1 38.214368 38.282583 37.333443 -5971 1 31.918418 33.931512 36.157998 -5972 1 35.612055 32.074774 37.387219 -5973 2 35.5831 34.04957 39.047544 -5974 1 35.75246 32.088086 40.149631 -5975 2 35.615657 33.824419 41.713165 -5976 1 35.638569 36.061296 37.614952 -5977 2 36.358444 37.816896 38.884174 -5978 1 35.987046 36.034802 40.28745 -5979 1 36.122176 38.157473 41.827978 -5980 1 37.730089 30.067171 42.889333 -5981 2 39.944726 33.833791 41.642053 -5982 2 37.765477 32.166294 38.745053 -5983 2 38.099767 31.876153 41.350163 -5984 2 38.066621 36.442839 41.48951 -5985 1 37.726393 34.24931 37.606618 -5986 1 38.065514 36.286433 39.031222 -5987 1 37.664687 30.041804 39.941583 -5988 1 36.1403 39.743151 39.963443 -5989 2 34.004128 36.124387 36.139274 -5990 1 38.008343 33.918454 43.060491 -5991 1 36.098653 32.233378 42.976295 -5992 1 30.058867 38.134404 37.476791 -5993 2 35.662195 29.860797 35.905075 -5994 1 33.53205 30.001458 37.176731 -5995 1 38.387155 38.05525 43.009631 -5996 1 36.188595 39.834331 37.505629 -5997 1 39.656895 29.968268 41.372509 -5998 1 39.786156 36.00049 42.804021 -5999 2 33.855117 32.268762 36.090908 -6000 2 31.856527 30.044242 36.001804 diff --git a/examples/cauchystat/NiAl_slow_stretch_CS/lammps.in b/examples/cauchystat/NiAl_slow_stretch_CS/lammps.in deleted file mode 100644 index e90bd9f3a9..0000000000 --- a/examples/cauchystat/NiAl_slow_stretch_CS/lammps.in +++ /dev/null @@ -1,45 +0,0 @@ -units metal -atom_style atomic -atom_modify map array - -processors 1 1 1 - -# Box and atom positions: -boundary p p p -read_data input.dat - -# Atomic mass: -mass 1 58.69 -mass 2 26.98154 - -# Potential, Al fcc crystal -pair_style eam/alloy -pair_coeff * * ../Mishin-Ni-Al-2009.eam.alloy Ni Al - -thermo 100 -thermo_style custom step temp pxx pyy pzz lx ly lz -compute cna all cna/atom 2.8 - -velocity all create 1000.0 4928459 rot yes dist gaussian - -fix 1 all npt temp 500.0 500.0 1.0 x 0.0 0.0 0.1 y 0.0 0.0 0.1 z 0.0 0.0 0.1 couple none cauchystat 0.001 no - -dump 1 all cfg 5000 test*.cfg mass type xs ys zs type c_cna - -timestep 0.002 - -variable l equal lz -variable p equal pzz -variable t equal temp - -fix avg all ave/time 1 1000 1000 v_t v_l v_p file avg.txt - -velocity all create 2400 4928459 rot yes dist gaussian - -run 10000 - -unfix 1 - -fix 1 all npt temp 500.0 500.0 1.0 x 0.0 0.0 0.1 y 0.0 0.0 0.1 z 0.0 -14000.0 0.1 couple none cauchystat 0.001 yes - -run 350000 diff --git a/examples/cauchystat/NiAl_slow_stretch_PR/input.dat b/examples/cauchystat/NiAl_slow_stretch_PR/input.dat deleted file mode 100644 index 3b99f3ea8f..0000000000 --- a/examples/cauchystat/NiAl_slow_stretch_PR/input.dat +++ /dev/null @@ -1,6009 +0,0 @@ -Position data for MD simulation - -6000 atoms -2 atom types -0.0000 39.972658977840510 xlo xhi -0.0000 39.970082402467646 ylo yhi -0.0000 43.077168594479417 zlo zhi -Atoms - -1 1 2.265603 1.699233 2.96682 -2 2 2.147625 3.958175 4.336466 -3 1 1.997414 2.08615 5.681268 -4 2 6.222234 0.12344 4.55833 -5 1 4.247865 9.8684 7.188432 -6 2 2.226404 4.008191 1.332846 -7 1 2.558125 5.881235 2.799624 -8 2 2.112892 8.008518 4.084836 -9 1 2.366112 6.194696 5.83623 -10 2 0.308528 9.773154 7.249786 -11 1 1.861699 8.008727 1.634831 -12 2 0.245314 5.864464 4.508327 -13 1 8.139953 -0.02424 5.747139 -14 1 0.178338 3.676069 2.91793 -15 2 0.021903 9.933735 1.645872 -16 1 4.094944 3.990727 2.989711 -17 2 4.25173 6.125247 4.299378 -18 1 4.004975 4.261809 5.650881 -19 2 4.233414 9.883798 4.412874 -20 2 4.158657 5.985987 1.452914 -21 1 3.943003 7.917155 2.809851 -22 1 4.013002 8.032118 5.709128 -23 1 3.913817 0.208102 0.200173 -24 2 4.11186 2.115952 4.39711 -25 1 4.091794 8.080277 0.383691 -26 1 8.239262 4.128528 0.14417 -27 1 4.164942 2.294329 1.435205 -28 1 6.018476 2.048784 2.978318 -29 1 6.189263 4.123374 4.429365 -30 1 5.731913 2.039386 5.760723 -31 2 8.125123 2.396376 4.334063 -32 2 5.956145 3.961461 1.710606 -33 1 6.097732 6.223054 3.105619 -34 2 6.260701 8.269814 4.403081 -35 1 6.135592 6.191014 6.014208 -36 2 6.118481 0.280536 1.660297 -37 2 5.95371 8.134065 1.459117 -38 1 8.112 7.978937 6.025785 -39 1 8.230735 0.317331 0.287501 -40 1 7.984577 0.451106 2.876758 -41 1 8.121358 4.469963 3.000969 -42 2 8.0024 6.398776 4.506808 -43 1 8.265498 4.145515 5.950951 -44 1 8.093687 2.336039 1.599762 -45 2 7.786786 6.082031 1.369435 -46 1 8.051625 8.388788 2.947011 -47 2 1.887169 0.10205 1.232231 -48 1 3.814096 0.184819 2.93152 -49 2 5.999738 4.024912 6.895817 -50 1 0.20906 5.67262 1.62315 -51 1 2.22916 6.007717 0.143509 -52 1 9.864584 8.16224 1.516273 -53 1 0.029687 7.997328 3.090548 -54 1 0.158584 7.813035 5.663186 -55 1 6.149844 9.939956 0.040852 -56 1 1.871208 1.766851 8.960428 -57 2 2.233107 3.807827 10.095989 -58 1 1.960237 1.933156 11.733738 -59 1 2.028536 4.090031 13.399625 -60 2 0.096818 1.982978 13.367683 -61 1 1.962538 5.967991 8.575587 -62 2 1.779869 8.006286 9.997749 -63 1 2.261369 6.075808 11.262585 -64 1 1.878689 7.795749 12.973992 -65 1 8.066595 6.091936 7.32151 -66 2 6.004471 8.10958 7.337536 -67 2 3.807826 9.773306 13.107995 -68 2 3.628292 2.338356 7.627483 -69 1 4.142245 4.127148 8.640624 -70 2 4.430475 5.841591 10.077295 -71 1 3.968136 4.281892 11.552649 -72 2 3.926926 6.059939 13.034315 -73 1 4.163584 8.009554 8.875445 -74 1 3.841536 8.095992 11.564038 -75 1 1.972543 4.098752 7.26509 -76 1 9.833961 8.179066 10.053046 -77 1 3.959427 0.070701 8.628349 -78 1 4.000206 1.99734 10.467815 -79 1 0.175393 5.813256 10.208259 -80 2 3.991668 2.115114 12.987731 -81 2 8.056411 2.098025 12.865242 -82 1 5.64748 2.156225 8.497216 -83 2 6.159432 4.014865 10.196613 -84 1 6.214032 2.165249 11.651601 -85 1 5.856347 3.961477 13.023239 -86 1 7.948437 0.352004 11.304002 -87 2 0.129981 2.04383 7.39824 -88 1 6.181909 5.856377 8.431434 -89 1 5.991539 7.847191 10.091845 -90 1 5.975418 5.816241 11.895283 -91 1 5.86549 8.043369 13.028812 -92 2 4.166236 6.085137 7.231975 -93 1 0.439458 3.829864 11.550798 -94 2 0.21596 5.973334 12.667734 -95 1 10.017517 5.823156 11.545694 -96 1 8.076092 4.274718 8.540188 -97 2 7.924969 6.011881 10.326107 -98 1 8.12022 3.959556 11.608595 -99 1 8.110671 6.08702 13.353502 -100 1 8.135035 2.224763 9.76071 -101 1 8.056404 8.04948 8.608732 -102 1 7.867682 7.986347 11.444105 -103 1 0.057722 3.824193 8.62711 -104 1 9.981584 4.247366 7.362993 -105 2 4.013801 9.873296 9.982524 -106 1 2.329565 8.116478 7.435377 -107 2 5.950495 0.34488 9.79838 -108 1 4.334027 0.076447 11.746114 -109 2 7.945804 9.995075 13.009688 -110 1 2.027284 10.048274 11.752786 -111 2 7.985809 2.177851 7.348854 -112 2 0.227187 9.715111 13.080145 -113 1 4.369771 0.043973 14.298992 -114 1 9.913252 6.303629 8.785055 -115 1 7.984689 3.996322 14.285297 -116 1 6.286022 9.901661 11.434457 -117 2 9.978329 0.129998 10.093528 -118 2 9.898021 7.994926 13.146433 -119 1 2.438629 0.033347 18.603552 -120 2 2.19485 3.927092 15.921048 -121 1 2.266036 2.0106 17.298124 -122 2 2.190625 4.002775 18.808528 -123 1 2.529808 1.858131 19.802924 -124 1 2.121536 8.100548 15.903723 -125 1 1.999174 5.945764 17.409821 -126 2 2.399752 8.317077 18.513998 -127 1 2.085018 6.322971 20.123548 -128 1 0.132331 7.834943 14.417244 -129 2 0.191888 2.055829 18.456008 -130 1 8.035826 8.278124 14.487514 -131 2 3.964165 5.965398 16.034244 -132 1 3.977251 4.106829 17.287135 -133 1 4.083409 6.186923 18.749777 -134 1 4.118697 4.16167 19.924445 -135 2 0.168486 10.031098 15.738364 -136 1 9.834776 5.750065 20.057158 -137 1 4.513739 7.925063 17.284367 -138 1 0.224638 6.311966 18.562 -139 1 4.05173 8.065927 20.327367 -140 1 4.020498 7.877514 14.44079 -141 1 4.143142 1.813412 15.801004 -142 1 2.214548 1.829361 14.565296 -143 2 4.407757 2.318175 18.721975 -144 2 6.016403 3.935276 15.745347 -145 1 6.343375 1.849436 17.205365 -146 2 6.615021 3.988745 18.735217 -147 1 6.455591 1.950789 20.137809 -148 1 6.179932 9.794709 17.21643 -149 2 6.237707 7.849925 15.743301 -150 1 6.151976 5.985244 17.227932 -151 2 6.178229 7.773511 18.829625 -152 1 6.147011 5.845856 20.064817 -153 2 4.124664 9.743815 15.83873 -154 1 8.065185 1.771116 18.726928 -155 1 6.149514 1.938847 14.518073 -156 2 8.136444 6.024316 15.560218 -157 1 8.139342 3.949043 16.901849 -158 1 8.143554 6.219717 18.549219 -159 1 8.181775 3.5232 20.518875 -160 1 1.876074 6.12577 14.691379 -161 2 9.729818 3.920007 18.490075 -162 1 8.23825 8.027751 17.068995 -163 1 4.103417 9.893021 18.750211 -164 1 8.095744 7.73466 20.44646 -165 2 8.348453 1.630886 15.803105 -166 1 0.114526 2.216943 15.877394 -167 2 4.178332 6.016772 21.363439 -168 1 1.899673 9.855866 20.182773 -169 1 0.06894 8.212942 17.306197 -170 1 5.88851 5.844373 14.487209 -171 1 0.059742 4.374953 14.646907 -172 1 3.878323 4.145978 14.489788 -173 2 4.294142 2.069501 21.441214 -174 1 8.064234 9.497999 18.769847 -175 1 0.054546 7.976599 20.116681 -176 1 8.525044 0.101361 14.328798 -177 2 9.906967 7.812697 18.799053 -178 1 2.121141 3.832231 21.274441 -179 2 0.246791 1.874452 21.452019 -180 1 0.500726 0.008693 17.033685 -181 1 6.032205 3.972779 21.459867 -182 1 6.228607 9.827219 20.293439 -183 1 1.999764 9.905509 14.422608 -184 2 0.044761 6.18458 27.221929 -185 1 2.164891 1.954699 22.914632 -186 1 2.035794 3.798225 24.476506 -187 1 2.328794 2.047568 26.040855 -188 2 1.965861 4.051758 27.120895 -189 1 0.39788 0.200226 23.107141 -190 1 2.011846 6.031691 22.819617 -191 2 1.784066 7.880599 24.253767 -192 1 1.950682 5.925284 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0.073352 8.062334 31.580545 -309 1 2.343233 1.989964 37.694901 -310 2 2.150594 4.054688 38.94671 -311 1 2.220728 2.214963 40.389648 -312 1 1.840714 4.304025 41.598649 -313 2 9.851649 3.872566 35.963799 -314 1 2.171019 6.014511 37.248316 -315 2 2.118925 8.126344 38.698529 -316 1 1.822848 6.187734 40.065258 -317 2 2.097718 8.187189 41.619939 -318 1 5.93254 8.110487 35.997205 -319 2 3.991484 5.882555 36.007498 -320 1 -0.012189 2.312888 41.535278 -321 1 6.078554 2.106397 42.961776 -322 1 3.941822 4.118266 37.343966 -323 1 4.059669 5.911086 38.924125 -324 1 4.243788 3.888032 40.060591 -325 2 3.820624 6.044866 41.295946 -326 2 9.921226 7.931661 38.579473 -327 1 4.030107 8.077903 37.285568 -328 1 3.918623 8.293708 40.297934 -329 1 2.161715 0.295479 39.355772 -330 1 1.716889 2.19297 42.95232 -331 2 4.139092 2.020988 38.874164 -332 2 8.155884 2.03133 41.766174 -333 2 3.98996 1.998471 41.86428 -334 2 1.955968 0.141806 41.468358 -335 1 6.069098 1.899748 37.679166 -336 1 6.110129 4.162369 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4.408416 0.116462 40.438985 -366 1 4.023578 4.299548 42.858497 -367 1 5.738192 6.080328 42.916263 -368 2 0.095082 9.809621 39.101012 -369 2 2.214579 0.240932 36.189444 -370 1 5.84047 3.923468 36.042476 -371 1 0.100734 0.195132 37.583149 -372 1 9.981436 1.84605 40.456977 -373 2 0.100733 6.115963 38.581553 -374 1 6.330599 0.057798 41.9442 -375 1 2.035748 9.928114 40.400686 -376 2 2.028957 12.029791 4.343529 -377 2 1.832717 12.0538 1.526233 -378 1 2.470958 13.791291 2.764359 -379 1 2.300685 15.961461 4.291057 -380 1 2.060136 13.885327 5.519295 -381 1 5.834238 10.070177 2.927694 -382 2 1.886408 16.065865 1.66092 -383 1 2.119671 18.096749 3.047313 -384 1 2.163548 18.168685 5.762644 -385 1 10.050827 19.899402 1.574428 -386 1 9.948295 15.901995 1.529421 -387 1 0.210418 11.651505 6.004967 -388 1 0.27473 19.935795 3.114751 -389 1 4.130162 12.052688 2.845852 -390 2 4.083177 14.206975 4.415789 -391 1 4.479415 12.035332 5.613871 -392 1 8.347115 10.116689 4.628832 -393 1 4.026026 14.555714 1.14563 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9.972938 20.0169 27.489172 -1716 1 5.703997 25.711756 23.09432 -1717 2 6.280153 27.688392 24.474129 -1718 1 5.849202 25.758661 25.982363 -1719 2 5.933837 27.749401 27.395382 -1720 1 3.845896 20.13447 26.326059 -1721 1 1.926669 29.939905 28.626722 -1722 1 7.922929 22.1633 24.335514 -1723 2 8.344669 22.25109 27.215609 -1724 2 8.071558 26.117467 21.751054 -1725 1 7.968057 24.030988 22.727487 -1726 1 7.880729 25.822015 24.453191 -1727 1 7.761149 24.101212 25.874457 -1728 2 8.001074 25.678691 27.331612 -1729 1 8.199395 27.998508 23.147257 -1730 1 7.958944 27.762717 25.92964 -1731 2 6.105711 19.923887 27.319612 -1732 2 8.311788 29.835697 27.460372 -1733 1 0.010508 25.892668 24.309353 -1734 1 8.223805 20.060932 22.851601 -1735 1 8.056356 20.284564 28.761815 -1736 1 9.690116 27.803495 27.615456 -1737 1 9.827582 22.075609 22.638185 -1738 1 0.04681 27.870388 25.583825 -1739 2 1.854514 20.151336 27.561133 -1740 1 8.263011 20.002518 25.592661 -1741 1 4.010108 28.120308 28.682348 -1742 1 4.038857 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31.838347 -1770 2 9.854146 28.058626 30.296512 -1771 1 3.779252 28.116412 34.495303 -1772 1 9.896008 23.604726 30.76787 -1773 1 5.834675 29.939037 28.667512 -1774 2 5.776089 24.020213 30.371621 -1775 1 5.904354 22.03533 31.674341 -1776 2 5.555846 24.041033 33.033625 -1777 1 5.320865 21.956109 34.328935 -1778 1 4.014827 24.047016 29.023606 -1779 1 8.135704 24.045338 28.967134 -1780 2 5.838501 28.161605 30.300142 -1781 1 6.028928 25.762962 31.778482 -1782 2 5.949245 27.840682 33.103347 -1783 1 6.362363 25.902461 34.39925 -1784 1 7.81058 20.070316 34.587706 -1785 2 9.903459 27.99613 33.001775 -1786 1 0.232461 28.190603 28.813738 -1787 2 8.234656 21.917561 30.419501 -1788 2 7.904954 21.779034 32.964622 -1789 1 7.852524 27.919044 34.569765 -1790 1 7.595396 28.048353 31.625959 -1791 2 7.925112 25.887627 30.394049 -1792 1 7.728644 23.97055 31.916084 -1793 1 8.515126 26.113194 32.84505 -1794 1 7.87091 24.018792 34.546662 -1795 1 5.909818 25.850381 28.937903 -1796 1 1.855525 29.676343 34.402837 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3.760552 22.028975 39.129353 -1825 1 0.120133 23.847195 42.944885 -1826 2 4.069006 22.075437 41.863068 -1827 1 5.907632 20.36903 38.501592 -1828 1 7.614067 27.968649 40.109559 -1829 1 3.897056 23.931653 37.406176 -1830 2 3.67424 25.831572 38.858188 -1831 1 3.697155 23.98423 40.178372 -1832 1 3.958999 25.902285 41.773782 -1833 1 9.702453 23.999789 36.048473 -1834 1 3.862301 28.11303 37.453615 -1835 1 3.835868 28.048802 40.57469 -1836 2 5.854804 27.776995 36.005821 -1837 1 2.018496 25.837414 42.987148 -1838 1 9.960693 25.630934 40.389307 -1839 1 5.93268 22.351558 37.363635 -1840 2 5.893761 24.161725 38.918752 -1841 1 5.808679 22.051292 40.511129 -1842 2 5.792864 24.116392 41.554559 -1843 1 9.64084 21.675057 37.276932 -1844 1 7.878713 27.9153 37.259426 -1845 1 6.175937 25.901323 37.471311 -1846 2 5.668787 27.931006 38.872038 -1847 1 5.833656 25.947867 40.073284 -1848 1 5.883119 28.188772 41.564271 -1849 1 1.968623 29.760132 37.440712 -1850 1 9.720776 21.931094 39.953354 -1851 2 7.71657 22.068573 38.940437 -1852 2 7.898218 26.165005 41.361678 -1853 2 8.069464 22.281116 41.639197 -1854 1 7.671941 23.931719 37.325285 -1855 2 8.224025 25.910081 38.501705 -1856 1 7.708054 24.12057 40.424826 -1857 1 3.73122 28.006194 42.903257 -1858 2 5.75438 20.111404 41.853219 -1859 1 9.831402 27.825768 38.818019 -1860 1 7.702614 27.990192 42.759806 -1861 1 7.820889 20.318748 42.936774 -1862 1 1.696378 24.07867 36.051323 -1863 2 1.929861 28.112364 36.261692 -1864 2 5.747452 20.123867 36.071437 -1865 2 9.856877 23.914266 38.695016 -1866 2 7.756468 29.813429 38.680181 -1867 1 7.682461 20.159018 37.348845 -1868 2 9.776865 19.989829 38.744389 -1869 1 9.815791 23.652977 41.622566 -1870 1 7.858893 24.330568 42.982576 -1871 2 8.002454 29.899258 41.430193 -1872 1 0.077683 20.128085 37.436998 -1873 2 1.626697 20.07364 41.83293 -1874 1 1.777573 31.918884 4.516148 -1875 1 0.224503 39.97377 2.747323 -1876 1 2.112303 39.817069 4.528393 -1877 2 1.981899 32.150865 1.347891 -1878 1 2.322442 33.979858 3.19387 -1879 2 2.096374 36.191635 4.230691 -1880 1 1.999648 34.152278 5.938815 -1881 1 1.73114 30.291033 2.935219 -1882 1 3.665367 29.983954 1.275677 -1883 2 1.943018 36.004664 1.697384 -1884 1 2.019378 38.176143 2.972324 -1885 1 2.19126 37.889176 5.917314 -1886 1 0.019605 35.984478 3.104091 -1887 2 7.787834 30.403461 4.344497 -1888 1 6.050812 33.918162 -0.027918 -1889 1 3.814711 31.691419 2.816277 -1890 2 4.20332 33.715468 4.180703 -1891 1 3.914581 32.066382 5.971622 -1892 2 3.895933 33.805468 1.20281 -1893 1 4.340385 35.802877 2.943593 -1894 1 4.271659 37.949305 4.314292 -1895 1 4.068788 35.686982 5.513423 -1896 2 4.190929 37.662517 7.182865 -1897 2 4.200636 38.226632 1.691189 -1898 1 9.716958 31.962759 4.249426 -1899 1 5.810481 32.019245 4.382481 -1900 1 5.938979 35.885235 7.16864 -1901 1 0.267384 35.760048 6.061532 -1902 2 6.018619 31.95181 1.612974 -1903 1 5.938914 34.057443 2.77635 -1904 2 6.183116 36.065698 4.376274 -1905 1 6.089476 34.019022 5.411901 -1906 1 6.359106 35.990867 1.578601 -1907 1 6.152011 38.058648 2.943561 -1908 1 5.711164 30.034724 2.988084 -1909 1 6.045542 37.798257 5.727308 -1910 1 8.009398 36.153578 0.053676 -1911 1 0.238276 33.896375 4.533811 -1912 1 7.902329 32.340963 2.922426 -1913 2 8.222407 34.13168 4.116176 -1914 1 7.936717 32.22354 5.888103 -1915 2 8.123641 38.41175 1.891536 -1916 2 7.927555 34.06589 1.21075 -1917 1 8.412195 35.913547 2.85742 -1918 1 8.139566 38.142702 4.120627 -1919 1 8.317254 36.194514 5.407003 -1920 1 4.034964 36.04412 0.47011 -1921 2 3.83481 30.240395 4.561724 -1922 2 0.249553 38.107374 7.140438 -1923 1 2.126706 37.874136 0.15149 -1924 1 9.770714 33.872567 5.735309 -1925 1 7.651907 31.89674 -0.001589 -1926 1 6.265497 38.190114 0.387488 -1927 2 0.091323 38.034686 1.579889 -1928 1 6.013525 30.091058 5.903567 -1929 2 9.613745 31.989409 1.558474 -1930 1 9.893134 38.099463 -0.000176 -1931 1 0.012372 34.088485 1.353111 -1932 1 1.957372 34.025261 0.135755 -1933 1 9.930552 30.036571 0.064988 -1934 1 1.356847 30.09059 0.587218 -1935 2 2.165378 39.90345 7.155948 -1936 1 9.928802 38.103943 5.693619 -1937 1 4.231897 39.892291 5.78739 -1938 2 3.93426 34.036259 7.069656 -1939 2 2.074177 32.270109 10.089125 -1940 1 3.932043 30.108354 7.345143 -1941 2 1.820986 31.836134 13.124076 -1942 1 1.929382 34.316614 8.776464 -1943 2 2.083627 36.058658 10.081855 -1944 1 1.997221 33.916084 11.577718 -1945 1 2.267799 35.662279 13.073333 -1946 2 4.209744 30.111608 9.908398 -1947 1 2.104601 38.082098 8.735584 -1948 2 8.24053 38.05696 7.216926 -1949 1 2.109203 38.067126 11.734018 -1950 2 0.042241 38.005125 10.32451 -1951 1 1.957287 39.865839 10.426779 -1952 2 8.203196 30.05132 9.912922 -1953 1 2.246349 30.143579 11.639665 -1954 1 4.199959 32.106503 8.70465 -1955 1 3.976417 34.112906 10.198306 -1956 1 3.884958 31.967651 11.562891 -1957 2 4.063522 34.032621 13.004991 -1958 1 4.232266 36.19468 8.962151 -1959 2 4.097197 38.230412 10.13239 -1960 1 4.118617 35.849094 11.679739 -1961 2 4.350691 37.885411 12.898671 -1962 1 6.201046 32.417633 10.15369 -1963 2 5.816252 31.722772 13.101456 -1964 1 6.157578 39.769939 7.197304 -1965 1 6.184596 34.126547 8.504052 -1966 2 6.346713 35.703957 10.195727 -1967 1 6.288059 33.992499 11.799552 -1968 1 6.483281 35.967443 12.860859 -1969 2 7.835082 34.145462 7.179037 -1970 1 6.256423 37.691882 8.993285 -1971 1 6.2337 37.988064 11.537765 -1972 2 9.772215 31.919829 7.180665 -1973 1 7.981132 32.165581 14.333143 -1974 1 2.309997 36.061233 7.359038 -1975 1 4.433034 36.045633 14.35862 -1976 1 7.955328 32.223129 8.507808 -1977 2 8.286523 34.141907 10.013388 -1978 1 7.939052 31.949186 11.600717 -1979 1 8.104476 34.231193 13.030137 -1980 2 1.884476 31.865234 7.19113 -1981 1 8.333692 36.082489 8.414603 -1982 2 8.168537 38.03579 10.329742 -1983 1 8.420403 35.985684 11.517078 -1984 1 8.327179 38.029547 12.910471 -1985 2 6.20532 31.903657 7.381951 -1986 2 0.085009 37.638839 13.154459 -1987 1 7.552329 30.251663 13.212821 -1988 2 2.355047 39.830169 13.072665 -1989 1 0.148785 31.885164 11.209718 -1990 1 1.848807 30.245173 8.940225 -1991 1 0.166389 36.076965 8.575072 -1992 1 5.894085 30.228735 11.200379 -1993 1 0.232408 36.202468 11.578646 -1994 1 2.4752 37.687884 14.341623 -1995 1 0.334254 39.866494 8.663952 -1996 1 0.04027 39.756099 11.961945 -1997 1 0.083418 34.195005 10.175316 -1998 2 0.043097 34.005541 7.193221 -1999 2 0.052476 33.834131 12.929227 -2000 1 8.114393 39.929142 8.406226 -2001 1 6.281515 37.719535 14.225496 -2002 2 9.768912 32.130689 12.866513 -2003 1 9.864669 32.192496 10.045288 -2004 1 0.028148 32.153045 8.783822 -2005 2 6.417236 39.879341 13.202851 -2006 1 8.005375 39.836615 20.349358 -2007 2 2.017709 31.870952 15.889762 -2008 2 7.716399 30.062983 18.430151 -2009 2 2.119264 32.351346 19.061283 -2010 2 6.658976 39.77428 18.733464 -2011 2 2.321302 35.607604 15.702355 -2012 1 1.966843 34.024507 17.339235 -2013 2 2.33321 35.646813 18.814154 -2014 1 1.794484 34.194282 20.582509 -2015 1 1.984336 29.928657 17.680043 -2016 1 2.238075 37.571948 17.445144 -2017 1 4.466772 39.923317 17.544828 -2018 1 2.072213 37.924398 20.106708 -2019 1 3.990864 31.761546 14.785242 -2020 1 4.020518 33.927189 15.729606 -2021 1 3.897539 31.807357 17.561737 -2022 1 4.265924 33.937397 18.871352 -2023 1 4.376327 32.03663 20.389624 -2024 1 6.400496 39.782735 15.767263 -2025 2 4.461272 37.709843 15.835142 -2026 1 4.42096 35.817684 17.119638 -2027 2 4.054798 37.811976 18.867409 -2028 1 3.994208 35.957797 20.233365 -2029 1 1.972412 30.096734 20.271564 -2030 1 5.988832 31.90054 15.667667 -2031 2 6.100535 31.913125 18.798462 -2032 1 0.28224 35.927235 17.246921 -2033 1 9.878186 30.085685 17.138849 -2034 1 6.416487 35.895999 15.857104 -2035 2 5.962689 34.078738 16.936543 -2036 1 6.325491 35.483857 19.110752 -2037 1 6.245971 33.832167 20.618167 -2038 1 6.042072 33.77268 14.335557 -2039 1 6.090957 37.771252 17.365844 -2040 1 9.965189 29.988789 20.309186 -2041 1 6.076905 37.611337 20.045471 -2042 1 5.896032 30.00014 17.243068 -2043 1 8.07936 33.904732 15.859046 -2044 1 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31.7757 20.059463 34.518741 -5504 2 31.689207 21.887308 32.975541 -5505 2 39.805981 25.795509 35.838343 -5506 1 37.74723 21.903725 28.960526 -5507 1 31.979939 26.07293 30.17699 -5508 1 32.004898 23.95945 31.44988 -5509 2 31.974772 25.933622 32.803723 -5510 1 32.040506 24.042768 34.357335 -5511 1 37.739832 27.907443 30.245666 -5512 1 32.044626 28.118447 31.454017 -5513 1 31.654444 28.014414 34.509235 -5514 1 34.138301 27.997212 35.896313 -5515 1 31.889366 20.004044 28.761331 -5516 1 39.835262 22.07408 33.089516 -5517 2 34.007603 23.908774 30.342078 -5518 1 33.740263 21.868589 31.78797 -5519 1 33.991626 24.018147 32.935314 -5520 1 33.671435 22.23316 34.4639 -5521 1 37.963203 26.127816 33.948218 -5522 2 35.671548 29.887379 30.006429 -5523 1 33.829651 28.102906 29.943869 -5524 1 33.787523 26.067977 31.577331 -5525 2 33.715682 28.130095 33.162643 -5526 1 33.802101 26.210103 34.202265 -5527 1 37.730482 22.197376 34.403749 -5528 1 35.831101 21.95767 30.135533 -5529 2 37.999963 23.981171 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37.808939 25.88862 28.786806 -5557 2 37.605151 20.062234 30.298688 -5558 1 39.683146 24.074149 28.774708 -5559 2 39.707573 22.163726 35.729637 -5560 2 35.837795 29.959675 33.198016 -5561 1 37.531197 29.956826 31.453986 -5562 2 39.738624 29.728913 38.753431 -5563 1 30.041991 21.54866 43.088993 -5564 1 30.04925 20.092756 36.030677 -5565 1 30.104198 22.099525 40.482417 -5566 2 32.166095 22.126699 39.089437 -5567 1 31.30678 29.835939 38.614314 -5568 2 32.154498 22.033941 41.947583 -5569 2 31.750661 22.180652 36.030577 -5570 1 32.223184 23.946743 37.571147 -5571 2 31.857028 25.930615 38.61725 -5572 1 31.807569 24.008036 40.432686 -5573 1 31.912421 25.941854 41.820678 -5574 1 31.963997 27.922257 37.038409 -5575 1 31.654875 27.878145 40.187242 -5576 1 35.955999 28.067776 42.957294 -5577 2 34.231791 20.028899 42.029044 -5578 1 33.922224 22.241081 37.17316 -5579 2 34.125087 24.143446 39.010304 -5580 1 33.997499 22.06184 40.374786 -5581 1 34.225665 24.069461 41.736873 -5582 1 33.932104 25.893531 37.519827 -5583 2 33.77329 27.943689 38.48262 -5584 1 33.713028 25.960392 40.09306 -5585 2 33.759151 27.899985 41.583325 -5586 2 33.689627 20.140057 36.219908 -5587 2 36.007824 22.144071 36.071922 -5588 2 37.620658 27.864602 38.755932 -5589 1 39.738066 23.868111 40.35193 -5590 1 36.044603 22.198895 38.939329 -5591 1 33.554331 29.877621 40.218971 -5592 2 36.210984 22.124513 41.901686 -5593 2 38.321777 20.14745 42.021594 -5594 1 35.891168 24.174352 37.042395 -5595 1 35.94011 25.975562 38.850673 -5596 1 36.086096 23.949456 40.287057 -5597 2 35.791035 25.814753 41.294699 -5598 1 38.121169 25.85346 40.303076 -5599 1 39.766821 22.077842 41.533013 -5600 1 35.898072 27.608031 37.346086 -5601 1 35.536703 27.971258 40.062924 -5602 1 37.725397 25.89497 37.190171 -5603 2 37.79448 28.357372 41.583156 -5604 1 32.130663 20.179465 40.490265 -5605 1 37.805212 22.189132 37.454434 -5606 2 37.845302 23.980917 38.951707 -5607 1 38.018734 22.01441 40.25018 -5608 1 37.998999 23.83693 41.969539 -5609 1 32.000064 20.176196 37.541736 -5610 2 37.944544 27.863124 35.858277 -5611 1 39.781907 29.831429 35.898085 -5612 2 35.490384 29.962999 41.453455 -5613 1 39.758098 24.039153 37.528235 -5614 2 39.892583 25.906438 41.854944 -5615 1 36.285268 19.999603 40.745261 -5616 2 30.09655 24.022449 41.945798 -5617 2 39.993697 25.996395 38.728838 -5618 1 37.81422 26.290042 42.848087 -5619 2 30.055901 19.935486 38.573149 -5620 1 37.973864 20.290243 36.046389 -5621 1 39.678251 27.704428 37.302745 -5622 2 39.966918 21.895199 38.767152 -5623 1 39.609699 27.894456 40.148854 -5624 1 35.857722 20.273774 37.567161 -5625 2 31.876516 29.975478 41.679184 -5626 2 29.990823 24.134634 38.782012 -5627 1 30.110123 28.422528 35.957979 -5628 1 30.166791 21.94758 37.4415 -5629 1 32.168293 24.104265 42.975893 -5630 1 35.411443 29.813844 38.643913 -5631 2 37.976528 20.120682 38.533653 -5632 1 39.779362 30.230874 4.652211 -5633 1 29.983878 33.982126 0.04316 -5634 2 30.086369 31.993647 4.231995 -5635 2 33.932165 39.866251 7.068893 -5636 1 32.059505 32.251117 2.629522 -5637 2 31.867763 34.040728 3.960388 -5638 1 31.932973 31.808697 5.917256 -5639 1 30.007373 39.943466 4.51009 -5640 2 39.207186 30.079079 1.703674 -5641 1 32.016417 34.359045 1.391175 -5642 1 32.0796 36.080574 2.990027 -5643 2 32.125016 37.982811 4.244242 -5644 1 32.039867 35.855789 5.754866 -5645 2 30.356301 36.250302 1.436559 -5646 1 32.110296 38.00744 1.426636 -5647 1 33.998604 30.067664 5.743991 -5648 2 33.695324 31.983255 4.383442 -5649 2 30.152086 36.019627 4.245065 -5650 2 34.240197 32.341445 1.32205 -5651 1 33.885438 34.090868 2.902626 -5652 2 34.178132 35.93225 4.482376 -5653 1 33.856287 33.915557 5.543055 -5654 2 34.187255 35.904801 1.570832 -5655 1 34.049489 37.902242 2.794215 -5656 1 34.196846 37.782622 5.597948 -5657 1 32.010141 29.994854 3.963328 -5658 1 30.085473 38.058327 2.970114 -5659 1 37.563886 30.425407 3.132393 -5660 1 35.867335 32.241913 3.116156 -5661 2 35.974255 34.126395 4.519526 -5662 1 36.004069 32.109611 5.814404 -5663 1 34.085538 39.906327 4.293478 -5664 1 36.097439 33.990507 1.502757 -5665 1 36.087679 36.048793 3.035352 -5666 2 36.278328 38.155374 4.063777 -5667 1 36.249913 36.355424 5.927679 -5668 2 31.890573 30.350964 1.619094 -5669 2 31.962807 37.754434 7.179059 -5670 1 35.973947 37.892913 1.48124 -5671 2 35.839322 30.204876 4.375075 -5672 1 37.935879 32.177401 4.195289 -5673 1 38.101493 38.10187 5.953049 -5674 2 37.852909 32.388628 1.664291 -5675 1 37.942171 34.0458 3.006996 -5676 2 38.2641 36.15208 4.530503 -5677 1 38.039433 34.206108 5.79566 -5678 1 33.979517 30.322401 2.668635 -5679 2 38.266202 35.993947 1.484331 -5680 1 38.067048 38.040012 2.752414 -5681 1 37.733806 30.096455 5.970187 -5682 1 39.682213 32.091472 5.993971 -5683 1 39.817487 31.930363 0.000367 -5684 1 36.043395 39.59783 5.676369 -5685 1 31.869558 32.098607 0.138261 -5686 1 39.734652 32.347843 3.042732 -5687 2 40.028718 38.187031 4.420077 -5688 1 35.900797 34.287592 6.911917 -5689 1 34.035098 34.219002 0.088382 -5690 1 35.958161 30.177564 1.36017 -5691 2 34.104037 39.871769 1.666144 -5692 2 31.713648 30.030149 13.126076 -5693 2 38.102561 35.967156 7.519894 -5694 2 31.857312 30.233676 7.601269 -5695 1 34.289545 38.267283 14.401123 -5696 2 35.86683 30.19377 7.315341 -5697 1 30.215661 34.162037 8.437432 -5698 2 32.177106 33.712521 7.258256 -5699 2 36.086337 30.089865 10.102229 -5700 1 31.904414 32.116466 8.706393 -5701 1 31.937094 33.843414 10.07911 -5702 1 31.979885 32.115442 11.535778 -5703 2 31.646163 34.054645 12.923349 -5704 2 34.238187 35.954151 7.232689 -5705 1 32.107596 35.868544 8.568472 -5706 1 31.872832 37.740296 10.246254 -5707 1 32.382757 36.08172 11.390228 -5708 1 31.907287 38.043268 12.759712 -5709 1 33.814113 30.280416 11.361764 -5710 1 30.217972 36.108976 12.75806 -5711 2 33.902634 32.114854 10.131038 -5712 1 33.57231 32.104408 13.09734 -5713 1 31.808268 30.066503 10.372268 -5714 1 34.074533 34.09759 8.82773 -5715 2 34.112978 35.879639 10.008535 -5716 1 33.847258 34.132738 11.781858 -5717 2 33.938795 36.222314 13.025522 -5718 2 29.978741 32.187816 10.235973 -5719 1 34.055911 38.08124 8.660649 -5720 1 33.602601 34.200907 14.256884 -5721 1 34.074479 38.033056 11.548004 -5722 2 36.270647 38.06342 7.227717 -5723 1 35.834976 32.087215 8.752976 -5724 2 36.060859 33.636235 10.421377 -5725 1 35.993855 31.835332 12.022895 -5726 2 35.800428 33.936835 13.252217 -5727 1 36.115212 35.929045 8.653718 -5728 2 36.22813 38.12211 10.18663 -5729 1 36.031176 36.067395 11.711353 -5730 2 36.290793 38.28804 13.110371 -5731 1 38.314803 39.87771 13.628157 -5732 2 37.813718 31.963763 10.266333 -5733 2 38.345306 31.61479 12.746628 -5734 1 37.993817 33.8253 8.828538 -5735 2 37.963385 36.024574 10.310583 -5736 1 37.917131 33.840219 11.529013 -5737 1 38.204273 36.194533 12.982689 -5738 1 38.223785 37.96125 8.694521 -5739 1 38.251957 38.103445 11.574783 -5740 1 32.162162 35.830151 14.368089 -5741 1 38.188088 39.835851 10.200529 -5742 2 37.943506 31.862097 7.486993 -5743 1 34.019779 32.099062 7.382655 -5744 1 37.835648 33.808569 14.272091 -5745 2 30.154664 36.008494 10.278616 -5746 2 34.005569 29.909902 14.221934 -5747 2 39.942399 30.201297 7.221972 -5748 1 31.669489 32.129787 14.202133 -5749 1 33.8553 30.102976 8.785283 -5750 1 36.285019 39.993992 8.473052 -5751 2 34.332311 39.811654 10.053333 -5752 1 32.287985 39.934755 8.544521 -5753 1 32.117424 39.894109 11.328559 -5754 1 34.070494 39.946648 12.675838 -5755 1 33.523905 30.237815 17.092452 -5756 1 37.796875 30.195733 20.074531 -5757 1 36.27689 36.076917 14.383428 -5758 1 31.912415 30.074316 18.962029 -5759 1 31.72877 30.195629 15.548548 -5760 1 39.683801 34.084414 18.996274 -5761 1 31.823255 34.23579 15.916954 -5762 1 32.081111 32.17144 17.423655 -5763 2 32.272671 34.141341 18.923237 -5764 1 31.890319 32.258592 20.174682 -5765 1 32.292252 37.789848 15.657298 -5766 1 31.865994 35.945048 17.430984 -5767 2 32.390605 38.101438 18.756338 -5768 1 32.536255 36.292415 20.33365 -5769 1 30.255802 37.826036 17.398086 -5770 2 30.361913 39.693462 15.767213 -5771 1 33.658364 32.195407 15.713634 -5772 1 37.521125 34.00621 20.179734 -5773 2 34.170474 31.959646 18.774747 -5774 2 30.146126 36.07111 19.193288 -5775 2 34.236512 36.009488 15.705407 -5776 1 33.893052 34.259763 17.152928 -5777 1 34.299465 36.26334 18.583767 -5778 1 34.414431 34.040341 19.801645 -5779 1 38.268782 38.067343 19.882736 -5780 1 38.192119 30.067346 14.65738 -5781 1 34.182659 38.172175 17.379208 -5782 1 34.285582 38.312236 20.114249 -5783 1 35.930101 31.821554 14.523145 -5784 1 38.166996 38.004859 14.725716 -5785 1 35.925271 33.697258 15.741088 -5786 1 35.628801 31.929644 17.21365 -5787 2 36.045808 34.231991 18.304721 -5788 1 36.066783 31.92807 19.890693 -5789 2 30.047091 31.872972 18.511468 -5790 1 38.23536 37.943903 17.225875 -5791 2 36.119549 38.085157 15.846243 -5792 1 36.28338 36.046451 17.021393 -5793 1 36.11202 38.183852 18.648108 -5794 1 36.196383 36.094959 20.14945 -5795 1 39.857714 32.070711 20.545667 -5796 2 38.277117 32.092018 16.056024 -5797 1 30.025257 33.999826 20.265429 -5798 2 37.984137 32.053017 18.664282 -5799 1 32.002215 39.814443 17.350923 -5800 2 38.174586 35.979296 18.941495 -5801 2 38.345772 36.135739 15.897296 -5802 1 38.047733 34.092532 17.193597 -5803 2 30.130578 35.962177 15.540359 -5804 2 36.401926 38.058554 21.346524 -5805 1 30.120957 38.000412 14.522433 -5806 1 30.488998 38.181884 20.233832 -5807 1 30.027329 34.063964 17.498188 -5808 1 37.840062 29.987227 17.565361 -5809 1 32.008478 30.033144 21.485715 -5810 2 39.774533 34.462138 21.415634 -5811 1 30.338184 36.208481 21.405811 -5812 1 29.947563 30.056036 17.165794 -5813 1 39.921352 31.819743 14.64622 -5814 2 34.22915 39.981504 21.655908 -5815 1 30.183329 38.19462 25.743477 -5816 1 35.907762 33.854845 21.824692 -5817 1 38.081846 38.241792 22.993384 -5818 2 34.075816 32.199578 21.47467 -5819 1 32.064265 31.912891 22.91255 -5820 1 31.883139 33.912773 24.608383 -5821 1 31.812805 31.862315 26.174015 -5822 2 32.311833 34.450426 27.53752 -5823 1 32.200878 36.145135 23.147334 -5824 2 32.211767 38.313372 24.442593 -5825 1 32.252693 36.173296 25.56014 -5826 2 32.184178 37.824314 27.059278 -5827 2 35.878916 30.070226 21.715039 -5828 1 37.668689 30.050641 23.045191 -5829 2 31.790668 34.251576 21.855242 -5830 1 30.175916 38.136754 23.248784 -5831 1 33.79328 31.909522 24.576174 -5832 2 33.915875 32.018888 27.178426 -5833 1 33.839278 34.11599 23.063711 -5834 2 34.250078 35.934833 24.487018 -5835 1 33.990054 34.106505 25.930061 -5836 1 34.091025 36.282124 27.332172 -5837 1 39.883217 38.455893 24.705928 -5838 2 38.008034 36.021219 27.398438 -5839 1 34.624327 37.896007 23.016853 -5840 1 34.168936 37.954274 25.436951 -5841 1 39.89339 34.048173 27.027007 -5842 1 38.248268 36.455753 21.536765 -5843 1 35.611768 31.698556 23.347142 -5844 2 36.148802 34.042768 24.34925 -5845 1 35.930043 32.125519 25.878398 -5846 2 35.950538 34.005205 27.219195 -5847 1 37.955393 34.076875 25.799656 -5848 1 37.973062 38.01909 26.230315 -5849 1 36.411999 36.023781 22.980871 -5850 2 36.283519 37.906374 24.521157 -5851 1 36.105429 36.189959 25.968065 -5852 2 35.830991 38.301536 27.267321 -5853 1 30.231426 34.188738 26.125408 -5854 1 30.281973 34.136127 28.552033 -5855 2 37.785563 31.866932 24.278312 -5856 2 31.348335 30.244331 27.485493 -5857 2 37.966809 32.115632 27.589764 -5858 2 35.66017 29.988788 24.878779 -5859 1 38.277476 34.130765 22.79239 -5860 2 37.959129 36.154297 24.437008 -5861 1 33.713618 30.108282 28.642398 -5862 1 39.822964 31.905463 23.110805 -5863 1 37.492689 32.09291 21.995043 -5864 2 30.127031 36.064739 24.638111 -5865 1 35.533243 30.110728 27.243438 -5866 1 36.070605 31.93122 28.695839 -5867 2 34.291131 35.85795 21.75028 -5868 1 31.938061 32.142881 28.504169 -5869 1 33.986813 39.867909 27.012668 -5870 1 30.10822 37.992396 28.395198 -5871 1 39.800701 30.030956 24.347523 -5872 2 39.892552 29.979658 27.134291 -5873 2 32.228297 37.952841 21.875429 -5874 2 39.977135 34.107266 24.499149 -5875 1 39.846344 36.406036 26.033584 -5876 1 32.059083 40.009476 28.464272 -5877 1 35.959269 39.965152 25.93262 -5878 2 30.460566 32.139968 24.447603 -5879 2 39.881804 38.087413 21.696502 -5880 1 30.134489 36.163809 33.336193 -5881 1 37.575878 38.100411 28.849489 -5882 1 37.662104 38.133383 31.571418 -5883 1 32.362045 39.87867 34.884405 -5884 1 39.873173 36.224308 34.920349 -5885 1 31.991424 34.085923 29.999612 -5886 1 31.815171 32.168756 31.641691 -5887 2 31.782096 34.063184 33.062024 -5888 1 31.718037 31.953527 34.554814 -5889 1 39.862898 38.376226 32.906485 -5890 1 37.551931 30.038119 34.432157 -5891 1 31.780802 37.997046 30.254783 -5892 1 31.834761 35.939821 31.604936 -5893 2 32.041736 38.210181 33.326919 -5894 1 32.203699 35.869978 34.596577 -5895 1 34.008946 38.074601 28.827076 -5896 1 37.899592 29.974959 28.916731 -5897 1 38.030007 33.96835 28.91396 -5898 2 33.846774 32.085103 30.081464 -5899 1 29.952597 30.143437 34.499248 -5900 1 33.915497 32.111271 33.150301 -5901 1 31.790321 30.23064 29.991804 -5902 2 37.907438 32.157735 35.935104 -5903 2 33.84716 36.05681 30.26538 -5904 1 34.0432 34.280307 31.67674 -5905 2 34.011752 36.10558 33.143956 -5906 1 33.824017 34.085576 34.552777 -5907 1 34.194027 34.072791 28.967937 -5908 1 33.894909 38.222801 31.657741 -5909 1 33.881652 38.078172 34.899329 -5910 1 38.119296 38.056464 34.569681 -5911 1 34.291634 39.920546 33.178111 -5912 1 33.581454 29.993619 34.681796 -5913 2 36.053229 33.87704 30.318866 -5914 1 35.873901 31.88411 31.537273 -5915 1 35.89848 33.774876 32.823618 -5916 1 35.828028 32.348885 34.478807 -5917 1 35.672787 37.928294 30.518119 -5918 1 35.989671 35.945619 31.826779 -5919 2 35.97259 38.32967 33.142576 -5920 1 35.703331 35.814769 34.580449 -5921 1 33.817908 30.208146 31.599942 -5922 1 35.844503 36.12033 28.831087 -5923 1 38.261976 32.096366 30.088155 -5924 2 37.797891 31.9048 33.114668 -5925 1 39.55682 31.880323 34.531549 -5926 2 37.75043 36.193675 30.248336 -5927 1 38.393997 33.98513 31.905095 -5928 2 37.963057 36.355009 33.181745 -5929 1 37.797425 34.035854 34.376018 -5930 1 30.050396 34.271558 31.538997 -5931 1 39.815357 36.070726 31.654601 -5932 2 39.731271 30.032678 30.327233 -5933 1 39.915975 31.952921 31.714062 -5934 2 31.84562 29.966231 33.068673 -5935 1 31.85693 36.270476 28.934934 -5936 1 31.866016 39.844488 31.814385 -5937 1 30.092134 34.094244 34.755273 -5938 1 39.694807 30.040539 32.997642 -5939 1 36.196648 35.960439 42.925128 -5940 2 32.015598 37.930066 36.230869 -5941 1 37.674069 30.102473 37.130906 -5942 1 39.699003 32.118698 37.217773 -5943 2 29.963786 31.633701 39.162197 -5944 1 32.058675 39.814086 37.607409 -5945 1 35.842471 33.971675 35.989822 -5946 1 34.028551 38.060871 42.983375 -5947 1 31.588672 31.941435 37.383683 -5948 2 31.694069 33.998273 38.693202 -5949 1 31.930294 31.884957 40.381472 -5950 2 32.11349 33.999595 41.798502 -5951 1 31.876844 36.011394 37.307134 -5952 2 31.893158 37.928813 38.973436 -5953 1 31.81531 35.668229 40.479844 -5954 2 31.787646 38.142244 41.698514 -5955 1 31.925559 36.23881 42.924197 -5956 1 36.004443 37.899297 36.000218 -5957 1 38.451312 38.205323 40.038254 -5958 2 33.656378 31.907332 38.819792 -5959 1 33.99011 31.933293 41.627228 -5960 2 37.707146 36.123239 36.332034 -5961 1 33.657247 33.955416 37.665398 -5962 1 33.73943 36.151957 39.054731 -5963 1 33.605884 33.957716 40.193208 -5964 2 34.011058 36.048882 41.690411 -5965 1 38.130598 34.242802 40.052446 -5966 1 34.167865 38.117836 37.628936 -5967 1 34.142536 38.424699 40.41195 -5968 1 40.005739 32.215658 40.003237 -5969 1 39.521882 33.977557 36.015643 -5970 1 38.214368 38.282583 37.333443 -5971 1 31.918418 33.931512 36.157998 -5972 1 35.612055 32.074774 37.387219 -5973 2 35.5831 34.04957 39.047544 -5974 1 35.75246 32.088086 40.149631 -5975 2 35.615657 33.824419 41.713165 -5976 1 35.638569 36.061296 37.614952 -5977 2 36.358444 37.816896 38.884174 -5978 1 35.987046 36.034802 40.28745 -5979 1 36.122176 38.157473 41.827978 -5980 1 37.730089 30.067171 42.889333 -5981 2 39.944726 33.833791 41.642053 -5982 2 37.765477 32.166294 38.745053 -5983 2 38.099767 31.876153 41.350163 -5984 2 38.066621 36.442839 41.48951 -5985 1 37.726393 34.24931 37.606618 -5986 1 38.065514 36.286433 39.031222 -5987 1 37.664687 30.041804 39.941583 -5988 1 36.1403 39.743151 39.963443 -5989 2 34.004128 36.124387 36.139274 -5990 1 38.008343 33.918454 43.060491 -5991 1 36.098653 32.233378 42.976295 -5992 1 30.058867 38.134404 37.476791 -5993 2 35.662195 29.860797 35.905075 -5994 1 33.53205 30.001458 37.176731 -5995 1 38.387155 38.05525 43.009631 -5996 1 36.188595 39.834331 37.505629 -5997 1 39.656895 29.968268 41.372509 -5998 1 39.786156 36.00049 42.804021 -5999 2 33.855117 32.268762 36.090908 -6000 2 31.856527 30.044242 36.001804 diff --git a/examples/cauchystat/NiAl_slow_stretch_PR/lammps.in b/examples/cauchystat/NiAl_slow_stretch_PR/lammps.in deleted file mode 100644 index 93840793b8..0000000000 --- a/examples/cauchystat/NiAl_slow_stretch_PR/lammps.in +++ /dev/null @@ -1,45 +0,0 @@ -units metal -atom_style atomic -atom_modify map array - -processors 1 1 1 - -# Box and atom positions: -boundary p p p -read_data input.dat - -# Atomic mass: -mass 1 58.69 -mass 2 26.98154 - -# Potential, Al fcc crystal -pair_style eam/alloy -pair_coeff * * ../Mishin-Ni-Al-2009.eam.alloy Ni Al - -thermo 100 -thermo_style custom step temp pxx pyy pzz lx ly lz -compute cna all cna/atom 2.8 - -velocity all create 1000.0 4928459 rot yes dist gaussian - -fix 1 all npt temp 500.0 500.0 1.0 x 0.0 0.0 0.1 y 0.0 0.0 0.1 z 0.0 0.0 0.1 couple none - -dump 1 all cfg 5000 test*.cfg mass type xs ys zs type c_cna - -timestep 0.002 - -variable l equal lz -variable p equal pzz -variable t equal temp - -fix avg all ave/time 1 1000 1000 v_t v_l v_p file avg.txt - -velocity all create 2400 4928459 rot yes dist gaussian - -run 10000 - -unfix 1 - -fix 1 all npt temp 500.0 500.0 1.0 x 0.0 0.0 0.1 y 0.0 0.0 0.1 z 0.0 -14000.0 0.1 couple none - -run 350000 diff --git a/examples/cauchystat/NiAl_stretch/input.dat b/examples/cauchystat/NiAl_stretch/input.dat deleted file mode 100644 index 3b99f3ea8f..0000000000 --- a/examples/cauchystat/NiAl_stretch/input.dat +++ /dev/null @@ -1,6009 +0,0 @@ -Position data for MD simulation - -6000 atoms -2 atom types -0.0000 39.972658977840510 xlo xhi -0.0000 39.970082402467646 ylo yhi -0.0000 43.077168594479417 zlo zhi -Atoms - -1 1 2.265603 1.699233 2.96682 -2 2 2.147625 3.958175 4.336466 -3 1 1.997414 2.08615 5.681268 -4 2 6.222234 0.12344 4.55833 -5 1 4.247865 9.8684 7.188432 -6 2 2.226404 4.008191 1.332846 -7 1 2.558125 5.881235 2.799624 -8 2 2.112892 8.008518 4.084836 -9 1 2.366112 6.194696 5.83623 -10 2 0.308528 9.773154 7.249786 -11 1 1.861699 8.008727 1.634831 -12 2 0.245314 5.864464 4.508327 -13 1 8.139953 -0.02424 5.747139 -14 1 0.178338 3.676069 2.91793 -15 2 0.021903 9.933735 1.645872 -16 1 4.094944 3.990727 2.989711 -17 2 4.25173 6.125247 4.299378 -18 1 4.004975 4.261809 5.650881 -19 2 4.233414 9.883798 4.412874 -20 2 4.158657 5.985987 1.452914 -21 1 3.943003 7.917155 2.809851 -22 1 4.013002 8.032118 5.709128 -23 1 3.913817 0.208102 0.200173 -24 2 4.11186 2.115952 4.39711 -25 1 4.091794 8.080277 0.383691 -26 1 8.239262 4.128528 0.14417 -27 1 4.164942 2.294329 1.435205 -28 1 6.018476 2.048784 2.978318 -29 1 6.189263 4.123374 4.429365 -30 1 5.731913 2.039386 5.760723 -31 2 8.125123 2.396376 4.334063 -32 2 5.956145 3.961461 1.710606 -33 1 6.097732 6.223054 3.105619 -34 2 6.260701 8.269814 4.403081 -35 1 6.135592 6.191014 6.014208 -36 2 6.118481 0.280536 1.660297 -37 2 5.95371 8.134065 1.459117 -38 1 8.112 7.978937 6.025785 -39 1 8.230735 0.317331 0.287501 -40 1 7.984577 0.451106 2.876758 -41 1 8.121358 4.469963 3.000969 -42 2 8.0024 6.398776 4.506808 -43 1 8.265498 4.145515 5.950951 -44 1 8.093687 2.336039 1.599762 -45 2 7.786786 6.082031 1.369435 -46 1 8.051625 8.388788 2.947011 -47 2 1.887169 0.10205 1.232231 -48 1 3.814096 0.184819 2.93152 -49 2 5.999738 4.024912 6.895817 -50 1 0.20906 5.67262 1.62315 -51 1 2.22916 6.007717 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35.664124 -1803 1 4.247465 25.982549 35.80953 -1804 1 0.012022 24.158979 31.494615 -1805 1 5.845287 29.969937 34.69315 -1806 2 8.436976 26.046465 35.817561 -1807 1 7.795622 29.898607 30.128644 -1808 2 7.768617 22.215251 35.856895 -1809 2 7.93569 29.886699 33.196602 -1810 1 9.883607 29.838353 28.975335 -1811 1 1.946835 22.280384 43.066776 -1812 1 1.809398 21.863784 37.34337 -1813 1 1.976036 23.841911 38.755625 -1814 1 1.767727 21.824198 40.56452 -1815 2 2.083742 24.029053 41.450421 -1816 1 7.673731 20.199299 40.455877 -1817 1 3.883739 20.063979 37.43537 -1818 1 1.962857 26.015373 37.239011 -1819 1 1.855742 27.865871 38.783671 -1820 1 1.946136 26.114415 40.445845 -1821 2 1.342698 28.356759 41.677946 -1822 1 3.866247 20.162337 40.622125 -1823 2 3.812973 22.128926 36.114766 -1824 2 3.760552 22.028975 39.129353 -1825 1 0.120133 23.847195 42.944885 -1826 2 4.069006 22.075437 41.863068 -1827 1 5.907632 20.36903 38.501592 -1828 1 7.614067 27.968649 40.109559 -1829 1 3.897056 23.931653 37.406176 -1830 2 3.67424 25.831572 38.858188 -1831 1 3.697155 23.98423 40.178372 -1832 1 3.958999 25.902285 41.773782 -1833 1 9.702453 23.999789 36.048473 -1834 1 3.862301 28.11303 37.453615 -1835 1 3.835868 28.048802 40.57469 -1836 2 5.854804 27.776995 36.005821 -1837 1 2.018496 25.837414 42.987148 -1838 1 9.960693 25.630934 40.389307 -1839 1 5.93268 22.351558 37.363635 -1840 2 5.893761 24.161725 38.918752 -1841 1 5.808679 22.051292 40.511129 -1842 2 5.792864 24.116392 41.554559 -1843 1 9.64084 21.675057 37.276932 -1844 1 7.878713 27.9153 37.259426 -1845 1 6.175937 25.901323 37.471311 -1846 2 5.668787 27.931006 38.872038 -1847 1 5.833656 25.947867 40.073284 -1848 1 5.883119 28.188772 41.564271 -1849 1 1.968623 29.760132 37.440712 -1850 1 9.720776 21.931094 39.953354 -1851 2 7.71657 22.068573 38.940437 -1852 2 7.898218 26.165005 41.361678 -1853 2 8.069464 22.281116 41.639197 -1854 1 7.671941 23.931719 37.325285 -1855 2 8.224025 25.910081 38.501705 -1856 1 7.708054 24.12057 40.424826 -1857 1 3.73122 28.006194 42.903257 -1858 2 5.75438 20.111404 41.853219 -1859 1 9.831402 27.825768 38.818019 -1860 1 7.702614 27.990192 42.759806 -1861 1 7.820889 20.318748 42.936774 -1862 1 1.696378 24.07867 36.051323 -1863 2 1.929861 28.112364 36.261692 -1864 2 5.747452 20.123867 36.071437 -1865 2 9.856877 23.914266 38.695016 -1866 2 7.756468 29.813429 38.680181 -1867 1 7.682461 20.159018 37.348845 -1868 2 9.776865 19.989829 38.744389 -1869 1 9.815791 23.652977 41.622566 -1870 1 7.858893 24.330568 42.982576 -1871 2 8.002454 29.899258 41.430193 -1872 1 0.077683 20.128085 37.436998 -1873 2 1.626697 20.07364 41.83293 -1874 1 1.777573 31.918884 4.516148 -1875 1 0.224503 39.97377 2.747323 -1876 1 2.112303 39.817069 4.528393 -1877 2 1.981899 32.150865 1.347891 -1878 1 2.322442 33.979858 3.19387 -1879 2 2.096374 36.191635 4.230691 -1880 1 1.999648 34.152278 5.938815 -1881 1 1.73114 30.291033 2.935219 -1882 1 3.665367 29.983954 1.275677 -1883 2 1.943018 36.004664 1.697384 -1884 1 2.019378 38.176143 2.972324 -1885 1 2.19126 37.889176 5.917314 -1886 1 0.019605 35.984478 3.104091 -1887 2 7.787834 30.403461 4.344497 -1888 1 6.050812 33.918162 -0.027918 -1889 1 3.814711 31.691419 2.816277 -1890 2 4.20332 33.715468 4.180703 -1891 1 3.914581 32.066382 5.971622 -1892 2 3.895933 33.805468 1.20281 -1893 1 4.340385 35.802877 2.943593 -1894 1 4.271659 37.949305 4.314292 -1895 1 4.068788 35.686982 5.513423 -1896 2 4.190929 37.662517 7.182865 -1897 2 4.200636 38.226632 1.691189 -1898 1 9.716958 31.962759 4.249426 -1899 1 5.810481 32.019245 4.382481 -1900 1 5.938979 35.885235 7.16864 -1901 1 0.267384 35.760048 6.061532 -1902 2 6.018619 31.95181 1.612974 -1903 1 5.938914 34.057443 2.77635 -1904 2 6.183116 36.065698 4.376274 -1905 1 6.089476 34.019022 5.411901 -1906 1 6.359106 35.990867 1.578601 -1907 1 6.152011 38.058648 2.943561 -1908 1 5.711164 30.034724 2.988084 -1909 1 6.045542 37.798257 5.727308 -1910 1 8.009398 36.153578 0.053676 -1911 1 0.238276 33.896375 4.533811 -1912 1 7.902329 32.340963 2.922426 -1913 2 8.222407 34.13168 4.116176 -1914 1 7.936717 32.22354 5.888103 -1915 2 8.123641 38.41175 1.891536 -1916 2 7.927555 34.06589 1.21075 -1917 1 8.412195 35.913547 2.85742 -1918 1 8.139566 38.142702 4.120627 -1919 1 8.317254 36.194514 5.407003 -1920 1 4.034964 36.04412 0.47011 -1921 2 3.83481 30.240395 4.561724 -1922 2 0.249553 38.107374 7.140438 -1923 1 2.126706 37.874136 0.15149 -1924 1 9.770714 33.872567 5.735309 -1925 1 7.651907 31.89674 -0.001589 -1926 1 6.265497 38.190114 0.387488 -1927 2 0.091323 38.034686 1.579889 -1928 1 6.013525 30.091058 5.903567 -1929 2 9.613745 31.989409 1.558474 -1930 1 9.893134 38.099463 -0.000176 -1931 1 0.012372 34.088485 1.353111 -1932 1 1.957372 34.025261 0.135755 -1933 1 9.930552 30.036571 0.064988 -1934 1 1.356847 30.09059 0.587218 -1935 2 2.165378 39.90345 7.155948 -1936 1 9.928802 38.103943 5.693619 -1937 1 4.231897 39.892291 5.78739 -1938 2 3.93426 34.036259 7.069656 -1939 2 2.074177 32.270109 10.089125 -1940 1 3.932043 30.108354 7.345143 -1941 2 1.820986 31.836134 13.124076 -1942 1 1.929382 34.316614 8.776464 -1943 2 2.083627 36.058658 10.081855 -1944 1 1.997221 33.916084 11.577718 -1945 1 2.267799 35.662279 13.073333 -1946 2 4.209744 30.111608 9.908398 -1947 1 2.104601 38.082098 8.735584 -1948 2 8.24053 38.05696 7.216926 -1949 1 2.109203 38.067126 11.734018 -1950 2 0.042241 38.005125 10.32451 -1951 1 1.957287 39.865839 10.426779 -1952 2 8.203196 30.05132 9.912922 -1953 1 2.246349 30.143579 11.639665 -1954 1 4.199959 32.106503 8.70465 -1955 1 3.976417 34.112906 10.198306 -1956 1 3.884958 31.967651 11.562891 -1957 2 4.063522 34.032621 13.004991 -1958 1 4.232266 36.19468 8.962151 -1959 2 4.097197 38.230412 10.13239 -1960 1 4.118617 35.849094 11.679739 -1961 2 4.350691 37.885411 12.898671 -1962 1 6.201046 32.417633 10.15369 -1963 2 5.816252 31.722772 13.101456 -1964 1 6.157578 39.769939 7.197304 -1965 1 6.184596 34.126547 8.504052 -1966 2 6.346713 35.703957 10.195727 -1967 1 6.288059 33.992499 11.799552 -1968 1 6.483281 35.967443 12.860859 -1969 2 7.835082 34.145462 7.179037 -1970 1 6.256423 37.691882 8.993285 -1971 1 6.2337 37.988064 11.537765 -1972 2 9.772215 31.919829 7.180665 -1973 1 7.981132 32.165581 14.333143 -1974 1 2.309997 36.061233 7.359038 -1975 1 4.433034 36.045633 14.35862 -1976 1 7.955328 32.223129 8.507808 -1977 2 8.286523 34.141907 10.013388 -1978 1 7.939052 31.949186 11.600717 -1979 1 8.104476 34.231193 13.030137 -1980 2 1.884476 31.865234 7.19113 -1981 1 8.333692 36.082489 8.414603 -1982 2 8.168537 38.03579 10.329742 -1983 1 8.420403 35.985684 11.517078 -1984 1 8.327179 38.029547 12.910471 -1985 2 6.20532 31.903657 7.381951 -1986 2 0.085009 37.638839 13.154459 -1987 1 7.552329 30.251663 13.212821 -1988 2 2.355047 39.830169 13.072665 -1989 1 0.148785 31.885164 11.209718 -1990 1 1.848807 30.245173 8.940225 -1991 1 0.166389 36.076965 8.575072 -1992 1 5.894085 30.228735 11.200379 -1993 1 0.232408 36.202468 11.578646 -1994 1 2.4752 37.687884 14.341623 -1995 1 0.334254 39.866494 8.663952 -1996 1 0.04027 39.756099 11.961945 -1997 1 0.083418 34.195005 10.175316 -1998 2 0.043097 34.005541 7.193221 -1999 2 0.052476 33.834131 12.929227 -2000 1 8.114393 39.929142 8.406226 -2001 1 6.281515 37.719535 14.225496 -2002 2 9.768912 32.130689 12.866513 -2003 1 9.864669 32.192496 10.045288 -2004 1 0.028148 32.153045 8.783822 -2005 2 6.417236 39.879341 13.202851 -2006 1 8.005375 39.836615 20.349358 -2007 2 2.017709 31.870952 15.889762 -2008 2 7.716399 30.062983 18.430151 -2009 2 2.119264 32.351346 19.061283 -2010 2 6.658976 39.77428 18.733464 -2011 2 2.321302 35.607604 15.702355 -2012 1 1.966843 34.024507 17.339235 -2013 2 2.33321 35.646813 18.814154 -2014 1 1.794484 34.194282 20.582509 -2015 1 1.984336 29.928657 17.680043 -2016 1 2.238075 37.571948 17.445144 -2017 1 4.466772 39.923317 17.544828 -2018 1 2.072213 37.924398 20.106708 -2019 1 3.990864 31.761546 14.785242 -2020 1 4.020518 33.927189 15.729606 -2021 1 3.897539 31.807357 17.561737 -2022 1 4.265924 33.937397 18.871352 -2023 1 4.376327 32.03663 20.389624 -2024 1 6.400496 39.782735 15.767263 -2025 2 4.461272 37.709843 15.835142 -2026 1 4.42096 35.817684 17.119638 -2027 2 4.054798 37.811976 18.867409 -2028 1 3.994208 35.957797 20.233365 -2029 1 1.972412 30.096734 20.271564 -2030 1 5.988832 31.90054 15.667667 -2031 2 6.100535 31.913125 18.798462 -2032 1 0.28224 35.927235 17.246921 -2033 1 9.878186 30.085685 17.138849 -2034 1 6.416487 35.895999 15.857104 -2035 2 5.962689 34.078738 16.936543 -2036 1 6.325491 35.483857 19.110752 -2037 1 6.245971 33.832167 20.618167 -2038 1 6.042072 33.77268 14.335557 -2039 1 6.090957 37.771252 17.365844 -2040 1 9.965189 29.988789 20.309186 -2041 1 6.076905 37.611337 20.045471 -2042 1 5.896032 30.00014 17.243068 -2043 1 8.07936 33.904732 15.859046 -2044 1 8.054869 32.064974 17.179067 -2045 1 8.005802 33.797373 18.711026 -2046 1 8.057981 31.963545 20.146211 -2047 2 0.309963 38.150861 18.320971 -2048 1 4.115614 39.67221 20.110889 -2049 2 8.081998 38.170352 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30.09655 24.022449 41.945798 -5617 2 39.993697 25.996395 38.728838 -5618 1 37.81422 26.290042 42.848087 -5619 2 30.055901 19.935486 38.573149 -5620 1 37.973864 20.290243 36.046389 -5621 1 39.678251 27.704428 37.302745 -5622 2 39.966918 21.895199 38.767152 -5623 1 39.609699 27.894456 40.148854 -5624 1 35.857722 20.273774 37.567161 -5625 2 31.876516 29.975478 41.679184 -5626 2 29.990823 24.134634 38.782012 -5627 1 30.110123 28.422528 35.957979 -5628 1 30.166791 21.94758 37.4415 -5629 1 32.168293 24.104265 42.975893 -5630 1 35.411443 29.813844 38.643913 -5631 2 37.976528 20.120682 38.533653 -5632 1 39.779362 30.230874 4.652211 -5633 1 29.983878 33.982126 0.04316 -5634 2 30.086369 31.993647 4.231995 -5635 2 33.932165 39.866251 7.068893 -5636 1 32.059505 32.251117 2.629522 -5637 2 31.867763 34.040728 3.960388 -5638 1 31.932973 31.808697 5.917256 -5639 1 30.007373 39.943466 4.51009 -5640 2 39.207186 30.079079 1.703674 -5641 1 32.016417 34.359045 1.391175 -5642 1 32.0796 36.080574 2.990027 -5643 2 32.125016 37.982811 4.244242 -5644 1 32.039867 35.855789 5.754866 -5645 2 30.356301 36.250302 1.436559 -5646 1 32.110296 38.00744 1.426636 -5647 1 33.998604 30.067664 5.743991 -5648 2 33.695324 31.983255 4.383442 -5649 2 30.152086 36.019627 4.245065 -5650 2 34.240197 32.341445 1.32205 -5651 1 33.885438 34.090868 2.902626 -5652 2 34.178132 35.93225 4.482376 -5653 1 33.856287 33.915557 5.543055 -5654 2 34.187255 35.904801 1.570832 -5655 1 34.049489 37.902242 2.794215 -5656 1 34.196846 37.782622 5.597948 -5657 1 32.010141 29.994854 3.963328 -5658 1 30.085473 38.058327 2.970114 -5659 1 37.563886 30.425407 3.132393 -5660 1 35.867335 32.241913 3.116156 -5661 2 35.974255 34.126395 4.519526 -5662 1 36.004069 32.109611 5.814404 -5663 1 34.085538 39.906327 4.293478 -5664 1 36.097439 33.990507 1.502757 -5665 1 36.087679 36.048793 3.035352 -5666 2 36.278328 38.155374 4.063777 -5667 1 36.249913 36.355424 5.927679 -5668 2 31.890573 30.350964 1.619094 -5669 2 31.962807 37.754434 7.179059 -5670 1 35.973947 37.892913 1.48124 -5671 2 35.839322 30.204876 4.375075 -5672 1 37.935879 32.177401 4.195289 -5673 1 38.101493 38.10187 5.953049 -5674 2 37.852909 32.388628 1.664291 -5675 1 37.942171 34.0458 3.006996 -5676 2 38.2641 36.15208 4.530503 -5677 1 38.039433 34.206108 5.79566 -5678 1 33.979517 30.322401 2.668635 -5679 2 38.266202 35.993947 1.484331 -5680 1 38.067048 38.040012 2.752414 -5681 1 37.733806 30.096455 5.970187 -5682 1 39.682213 32.091472 5.993971 -5683 1 39.817487 31.930363 0.000367 -5684 1 36.043395 39.59783 5.676369 -5685 1 31.869558 32.098607 0.138261 -5686 1 39.734652 32.347843 3.042732 -5687 2 40.028718 38.187031 4.420077 -5688 1 35.900797 34.287592 6.911917 -5689 1 34.035098 34.219002 0.088382 -5690 1 35.958161 30.177564 1.36017 -5691 2 34.104037 39.871769 1.666144 -5692 2 31.713648 30.030149 13.126076 -5693 2 38.102561 35.967156 7.519894 -5694 2 31.857312 30.233676 7.601269 -5695 1 34.289545 38.267283 14.401123 -5696 2 35.86683 30.19377 7.315341 -5697 1 30.215661 34.162037 8.437432 -5698 2 32.177106 33.712521 7.258256 -5699 2 36.086337 30.089865 10.102229 -5700 1 31.904414 32.116466 8.706393 -5701 1 31.937094 33.843414 10.07911 -5702 1 31.979885 32.115442 11.535778 -5703 2 31.646163 34.054645 12.923349 -5704 2 34.238187 35.954151 7.232689 -5705 1 32.107596 35.868544 8.568472 -5706 1 31.872832 37.740296 10.246254 -5707 1 32.382757 36.08172 11.390228 -5708 1 31.907287 38.043268 12.759712 -5709 1 33.814113 30.280416 11.361764 -5710 1 30.217972 36.108976 12.75806 -5711 2 33.902634 32.114854 10.131038 -5712 1 33.57231 32.104408 13.09734 -5713 1 31.808268 30.066503 10.372268 -5714 1 34.074533 34.09759 8.82773 -5715 2 34.112978 35.879639 10.008535 -5716 1 33.847258 34.132738 11.781858 -5717 2 33.938795 36.222314 13.025522 -5718 2 29.978741 32.187816 10.235973 -5719 1 34.055911 38.08124 8.660649 -5720 1 33.602601 34.200907 14.256884 -5721 1 34.074479 38.033056 11.548004 -5722 2 36.270647 38.06342 7.227717 -5723 1 35.834976 32.087215 8.752976 -5724 2 36.060859 33.636235 10.421377 -5725 1 35.993855 31.835332 12.022895 -5726 2 35.800428 33.936835 13.252217 -5727 1 36.115212 35.929045 8.653718 -5728 2 36.22813 38.12211 10.18663 -5729 1 36.031176 36.067395 11.711353 -5730 2 36.290793 38.28804 13.110371 -5731 1 38.314803 39.87771 13.628157 -5732 2 37.813718 31.963763 10.266333 -5733 2 38.345306 31.61479 12.746628 -5734 1 37.993817 33.8253 8.828538 -5735 2 37.963385 36.024574 10.310583 -5736 1 37.917131 33.840219 11.529013 -5737 1 38.204273 36.194533 12.982689 -5738 1 38.223785 37.96125 8.694521 -5739 1 38.251957 38.103445 11.574783 -5740 1 32.162162 35.830151 14.368089 -5741 1 38.188088 39.835851 10.200529 -5742 2 37.943506 31.862097 7.486993 -5743 1 34.019779 32.099062 7.382655 -5744 1 37.835648 33.808569 14.272091 -5745 2 30.154664 36.008494 10.278616 -5746 2 34.005569 29.909902 14.221934 -5747 2 39.942399 30.201297 7.221972 -5748 1 31.669489 32.129787 14.202133 -5749 1 33.8553 30.102976 8.785283 -5750 1 36.285019 39.993992 8.473052 -5751 2 34.332311 39.811654 10.053333 -5752 1 32.287985 39.934755 8.544521 -5753 1 32.117424 39.894109 11.328559 -5754 1 34.070494 39.946648 12.675838 -5755 1 33.523905 30.237815 17.092452 -5756 1 37.796875 30.195733 20.074531 -5757 1 36.27689 36.076917 14.383428 -5758 1 31.912415 30.074316 18.962029 -5759 1 31.72877 30.195629 15.548548 -5760 1 39.683801 34.084414 18.996274 -5761 1 31.823255 34.23579 15.916954 -5762 1 32.081111 32.17144 17.423655 -5763 2 32.272671 34.141341 18.923237 -5764 1 31.890319 32.258592 20.174682 -5765 1 32.292252 37.789848 15.657298 -5766 1 31.865994 35.945048 17.430984 -5767 2 32.390605 38.101438 18.756338 -5768 1 32.536255 36.292415 20.33365 -5769 1 30.255802 37.826036 17.398086 -5770 2 30.361913 39.693462 15.767213 -5771 1 33.658364 32.195407 15.713634 -5772 1 37.521125 34.00621 20.179734 -5773 2 34.170474 31.959646 18.774747 -5774 2 30.146126 36.07111 19.193288 -5775 2 34.236512 36.009488 15.705407 -5776 1 33.893052 34.259763 17.152928 -5777 1 34.299465 36.26334 18.583767 -5778 1 34.414431 34.040341 19.801645 -5779 1 38.268782 38.067343 19.882736 -5780 1 38.192119 30.067346 14.65738 -5781 1 34.182659 38.172175 17.379208 -5782 1 34.285582 38.312236 20.114249 -5783 1 35.930101 31.821554 14.523145 -5784 1 38.166996 38.004859 14.725716 -5785 1 35.925271 33.697258 15.741088 -5786 1 35.628801 31.929644 17.21365 -5787 2 36.045808 34.231991 18.304721 -5788 1 36.066783 31.92807 19.890693 -5789 2 30.047091 31.872972 18.511468 -5790 1 38.23536 37.943903 17.225875 -5791 2 36.119549 38.085157 15.846243 -5792 1 36.28338 36.046451 17.021393 -5793 1 36.11202 38.183852 18.648108 -5794 1 36.196383 36.094959 20.14945 -5795 1 39.857714 32.070711 20.545667 -5796 2 38.277117 32.092018 16.056024 -5797 1 30.025257 33.999826 20.265429 -5798 2 37.984137 32.053017 18.664282 -5799 1 32.002215 39.814443 17.350923 -5800 2 38.174586 35.979296 18.941495 -5801 2 38.345772 36.135739 15.897296 -5802 1 38.047733 34.092532 17.193597 -5803 2 30.130578 35.962177 15.540359 -5804 2 36.401926 38.058554 21.346524 -5805 1 30.120957 38.000412 14.522433 -5806 1 30.488998 38.181884 20.233832 -5807 1 30.027329 34.063964 17.498188 -5808 1 37.840062 29.987227 17.565361 -5809 1 32.008478 30.033144 21.485715 -5810 2 39.774533 34.462138 21.415634 -5811 1 30.338184 36.208481 21.405811 -5812 1 29.947563 30.056036 17.165794 -5813 1 39.921352 31.819743 14.64622 -5814 2 34.22915 39.981504 21.655908 -5815 1 30.183329 38.19462 25.743477 -5816 1 35.907762 33.854845 21.824692 -5817 1 38.081846 38.241792 22.993384 -5818 2 34.075816 32.199578 21.47467 -5819 1 32.064265 31.912891 22.91255 -5820 1 31.883139 33.912773 24.608383 -5821 1 31.812805 31.862315 26.174015 -5822 2 32.311833 34.450426 27.53752 -5823 1 32.200878 36.145135 23.147334 -5824 2 32.211767 38.313372 24.442593 -5825 1 32.252693 36.173296 25.56014 -5826 2 32.184178 37.824314 27.059278 -5827 2 35.878916 30.070226 21.715039 -5828 1 37.668689 30.050641 23.045191 -5829 2 31.790668 34.251576 21.855242 -5830 1 30.175916 38.136754 23.248784 -5831 1 33.79328 31.909522 24.576174 -5832 2 33.915875 32.018888 27.178426 -5833 1 33.839278 34.11599 23.063711 -5834 2 34.250078 35.934833 24.487018 -5835 1 33.990054 34.106505 25.930061 -5836 1 34.091025 36.282124 27.332172 -5837 1 39.883217 38.455893 24.705928 -5838 2 38.008034 36.021219 27.398438 -5839 1 34.624327 37.896007 23.016853 -5840 1 34.168936 37.954274 25.436951 -5841 1 39.89339 34.048173 27.027007 -5842 1 38.248268 36.455753 21.536765 -5843 1 35.611768 31.698556 23.347142 -5844 2 36.148802 34.042768 24.34925 -5845 1 35.930043 32.125519 25.878398 -5846 2 35.950538 34.005205 27.219195 -5847 1 37.955393 34.076875 25.799656 -5848 1 37.973062 38.01909 26.230315 -5849 1 36.411999 36.023781 22.980871 -5850 2 36.283519 37.906374 24.521157 -5851 1 36.105429 36.189959 25.968065 -5852 2 35.830991 38.301536 27.267321 -5853 1 30.231426 34.188738 26.125408 -5854 1 30.281973 34.136127 28.552033 -5855 2 37.785563 31.866932 24.278312 -5856 2 31.348335 30.244331 27.485493 -5857 2 37.966809 32.115632 27.589764 -5858 2 35.66017 29.988788 24.878779 -5859 1 38.277476 34.130765 22.79239 -5860 2 37.959129 36.154297 24.437008 -5861 1 33.713618 30.108282 28.642398 -5862 1 39.822964 31.905463 23.110805 -5863 1 37.492689 32.09291 21.995043 -5864 2 30.127031 36.064739 24.638111 -5865 1 35.533243 30.110728 27.243438 -5866 1 36.070605 31.93122 28.695839 -5867 2 34.291131 35.85795 21.75028 -5868 1 31.938061 32.142881 28.504169 -5869 1 33.986813 39.867909 27.012668 -5870 1 30.10822 37.992396 28.395198 -5871 1 39.800701 30.030956 24.347523 -5872 2 39.892552 29.979658 27.134291 -5873 2 32.228297 37.952841 21.875429 -5874 2 39.977135 34.107266 24.499149 -5875 1 39.846344 36.406036 26.033584 -5876 1 32.059083 40.009476 28.464272 -5877 1 35.959269 39.965152 25.93262 -5878 2 30.460566 32.139968 24.447603 -5879 2 39.881804 38.087413 21.696502 -5880 1 30.134489 36.163809 33.336193 -5881 1 37.575878 38.100411 28.849489 -5882 1 37.662104 38.133383 31.571418 -5883 1 32.362045 39.87867 34.884405 -5884 1 39.873173 36.224308 34.920349 -5885 1 31.991424 34.085923 29.999612 -5886 1 31.815171 32.168756 31.641691 -5887 2 31.782096 34.063184 33.062024 -5888 1 31.718037 31.953527 34.554814 -5889 1 39.862898 38.376226 32.906485 -5890 1 37.551931 30.038119 34.432157 -5891 1 31.780802 37.997046 30.254783 -5892 1 31.834761 35.939821 31.604936 -5893 2 32.041736 38.210181 33.326919 -5894 1 32.203699 35.869978 34.596577 -5895 1 34.008946 38.074601 28.827076 -5896 1 37.899592 29.974959 28.916731 -5897 1 38.030007 33.96835 28.91396 -5898 2 33.846774 32.085103 30.081464 -5899 1 29.952597 30.143437 34.499248 -5900 1 33.915497 32.111271 33.150301 -5901 1 31.790321 30.23064 29.991804 -5902 2 37.907438 32.157735 35.935104 -5903 2 33.84716 36.05681 30.26538 -5904 1 34.0432 34.280307 31.67674 -5905 2 34.011752 36.10558 33.143956 -5906 1 33.824017 34.085576 34.552777 -5907 1 34.194027 34.072791 28.967937 -5908 1 33.894909 38.222801 31.657741 -5909 1 33.881652 38.078172 34.899329 -5910 1 38.119296 38.056464 34.569681 -5911 1 34.291634 39.920546 33.178111 -5912 1 33.581454 29.993619 34.681796 -5913 2 36.053229 33.87704 30.318866 -5914 1 35.873901 31.88411 31.537273 -5915 1 35.89848 33.774876 32.823618 -5916 1 35.828028 32.348885 34.478807 -5917 1 35.672787 37.928294 30.518119 -5918 1 35.989671 35.945619 31.826779 -5919 2 35.97259 38.32967 33.142576 -5920 1 35.703331 35.814769 34.580449 -5921 1 33.817908 30.208146 31.599942 -5922 1 35.844503 36.12033 28.831087 -5923 1 38.261976 32.096366 30.088155 -5924 2 37.797891 31.9048 33.114668 -5925 1 39.55682 31.880323 34.531549 -5926 2 37.75043 36.193675 30.248336 -5927 1 38.393997 33.98513 31.905095 -5928 2 37.963057 36.355009 33.181745 -5929 1 37.797425 34.035854 34.376018 -5930 1 30.050396 34.271558 31.538997 -5931 1 39.815357 36.070726 31.654601 -5932 2 39.731271 30.032678 30.327233 -5933 1 39.915975 31.952921 31.714062 -5934 2 31.84562 29.966231 33.068673 -5935 1 31.85693 36.270476 28.934934 -5936 1 31.866016 39.844488 31.814385 -5937 1 30.092134 34.094244 34.755273 -5938 1 39.694807 30.040539 32.997642 -5939 1 36.196648 35.960439 42.925128 -5940 2 32.015598 37.930066 36.230869 -5941 1 37.674069 30.102473 37.130906 -5942 1 39.699003 32.118698 37.217773 -5943 2 29.963786 31.633701 39.162197 -5944 1 32.058675 39.814086 37.607409 -5945 1 35.842471 33.971675 35.989822 -5946 1 34.028551 38.060871 42.983375 -5947 1 31.588672 31.941435 37.383683 -5948 2 31.694069 33.998273 38.693202 -5949 1 31.930294 31.884957 40.381472 -5950 2 32.11349 33.999595 41.798502 -5951 1 31.876844 36.011394 37.307134 -5952 2 31.893158 37.928813 38.973436 -5953 1 31.81531 35.668229 40.479844 -5954 2 31.787646 38.142244 41.698514 -5955 1 31.925559 36.23881 42.924197 -5956 1 36.004443 37.899297 36.000218 -5957 1 38.451312 38.205323 40.038254 -5958 2 33.656378 31.907332 38.819792 -5959 1 33.99011 31.933293 41.627228 -5960 2 37.707146 36.123239 36.332034 -5961 1 33.657247 33.955416 37.665398 -5962 1 33.73943 36.151957 39.054731 -5963 1 33.605884 33.957716 40.193208 -5964 2 34.011058 36.048882 41.690411 -5965 1 38.130598 34.242802 40.052446 -5966 1 34.167865 38.117836 37.628936 -5967 1 34.142536 38.424699 40.41195 -5968 1 40.005739 32.215658 40.003237 -5969 1 39.521882 33.977557 36.015643 -5970 1 38.214368 38.282583 37.333443 -5971 1 31.918418 33.931512 36.157998 -5972 1 35.612055 32.074774 37.387219 -5973 2 35.5831 34.04957 39.047544 -5974 1 35.75246 32.088086 40.149631 -5975 2 35.615657 33.824419 41.713165 -5976 1 35.638569 36.061296 37.614952 -5977 2 36.358444 37.816896 38.884174 -5978 1 35.987046 36.034802 40.28745 -5979 1 36.122176 38.157473 41.827978 -5980 1 37.730089 30.067171 42.889333 -5981 2 39.944726 33.833791 41.642053 -5982 2 37.765477 32.166294 38.745053 -5983 2 38.099767 31.876153 41.350163 -5984 2 38.066621 36.442839 41.48951 -5985 1 37.726393 34.24931 37.606618 -5986 1 38.065514 36.286433 39.031222 -5987 1 37.664687 30.041804 39.941583 -5988 1 36.1403 39.743151 39.963443 -5989 2 34.004128 36.124387 36.139274 -5990 1 38.008343 33.918454 43.060491 -5991 1 36.098653 32.233378 42.976295 -5992 1 30.058867 38.134404 37.476791 -5993 2 35.662195 29.860797 35.905075 -5994 1 33.53205 30.001458 37.176731 -5995 1 38.387155 38.05525 43.009631 -5996 1 36.188595 39.834331 37.505629 -5997 1 39.656895 29.968268 41.372509 -5998 1 39.786156 36.00049 42.804021 -5999 2 33.855117 32.268762 36.090908 -6000 2 31.856527 30.044242 36.001804 diff --git a/examples/cauchystat/NiAl_stretch/lammps.in b/examples/cauchystat/NiAl_stretch/lammps.in deleted file mode 100644 index 77ba62e783..0000000000 --- a/examples/cauchystat/NiAl_stretch/lammps.in +++ /dev/null @@ -1,48 +0,0 @@ -units metal -atom_style atomic -atom_modify map array - -processors 1 1 1 - -# Box and atom positions: -boundary p p p -read_data input.dat - -# Atomic mass: -mass 1 58.69 -mass 2 26.98154 - -# Potential, Al fcc crystal -pair_style eam/alloy -pair_coeff * * ../Mishin-Ni-Al-2009.eam.alloy Ni Al - - -thermo 100 -thermo_style custom step temp pxx pyy pzz lx ly lz -compute cna all cna/atom 2.8 - -velocity all create 2400.0 4928459 rot yes dist gaussian - -fix 1 all npt temp 600.0 600.0 1.0 x 0.0 0.0 0.1 y 0.0 0.0 0.1 z 0.0 0.0 0.1 couple none cauchystat 0.001 no - -dump 1 all cfg 1000 test*.cfg mass type xs ys zs type c_cna - -timestep 0.002 - -variable l equal lz -variable p equal pzz -variable t equal temp - -fix avg all ave/time 1 1000 1000 v_t v_l v_p file avg.txt - -#restart 1000 restart.*.test - -velocity all create 2400 4928459 rot yes dist gaussian - -run 10000 - -unfix 1 - -fix 1 all npt temp 600.0 600.0 1.0 x 0.0 0.0 0.1 y 0.0 0.0 0.1 z 0.0 -6000.0 0.1 couple none cauchystat 0.001 yes - -run 100000 diff --git a/examples/cauchystat/README b/examples/cauchystat/README index f42ce0cba1..fb6c63bff6 100644 --- a/examples/cauchystat/README +++ b/examples/cauchystat/README @@ -1,42 +1,10 @@ -There are 6 examples in this directory. All are run by executing: +Run this example by executing: % lmp_serial < lammps.in -from the respective home directory. - -Note that these examples use an EAM potential, and therefore must be +Note that this example use an EAM potential, and therefore must be run with a LAMMPS executable built with the MANYBODY package. -Al_shear_PR: Application of a simple shear stress, illustrating that -there is a non-zero direct stress in the equilibrated system due to -the fact that Parinello-Rahman controls the second Piola-Kirchhoff -stress instead of the Cauchy stress. First fix equilibrates the -temperature at zero stress, second fix applies the shear. The third -fix corrects the problem because each new run resets the reference -simulation cell (H0) to the current cell shape. - -Al_shear_CS: Cauchystat example. Same as above, using the Cauchystat -instead of PR control. In this case, the equilibrated stresses are as -prescribed (ie., the set stresses control the Cauchy stress, not Piola -Kirchhoff) - -NiAl_cool: Cauchystat example. First fix equilibrates the system to -uniaxial tension of 2800 bars, 1200K. Second fix cools to 300 K, -causing a phase transformation. Cauchy stress remains at the set -level after the transformation - -NiAl_stretch: Cauchystat example. After a brief equilibration -at 600 K and zero stress, quickly ramp up the applied tensile stress -from 0 to 6000 bars over 100000 time steps. After the phase -transformation, Cauchy stress continues to follow the set value. - -NiAl_slow_stretch_CS: Cauchystat example. After a brief equilibration -at 500 K and zero stress, gradually ramp up the applied tensile stress -from 0 to 14000 bars over 350000 time steps. After the phase -transformation, Cauchy stress continues to follow the set value. - -NiAl_slow_stretch_PR: After a brief equilibration at 500 K and zero -stress, gradually ramp up the applied tensile stress from 0 to 14000 -bars over 350000 time steps. After the phase transformation, Cauchy -stress departs substantially from the set value, because the PR -control is used instead of the Cauchystat. +The first cauchystat fix equilibrates the temperature at zero stress, +the second fix applies a shear stress. Output in avg.txt shows +convergence to correct values. diff --git a/examples/cauchystat/Al_shear_CS/lammps.in b/examples/cauchystat/lammps.in similarity index 87% rename from examples/cauchystat/Al_shear_CS/lammps.in rename to examples/cauchystat/lammps.in index 0feefeb5b2..218bef3308 100644 --- a/examples/cauchystat/Al_shear_CS/lammps.in +++ b/examples/cauchystat/lammps.in @@ -20,7 +20,7 @@ mass 2 26.98154 # Potential, Al fcc crystal pair_style eam/alloy -pair_coeff * * ../Mishin-Ni-Al-2009.eam.alloy Ni Al +pair_coeff * * Mishin-Ni-Al-2009.eam.alloy Ni Al thermo 100 @@ -61,9 +61,3 @@ unfix 1 fix 1 all npt temp 600.0 600.0 1.0 x 0.0 0.0 0.1 y 0.0 0.0 0.1 z 0.0 0.0 0.1 xy -10000.0 -10000.0 0.1 couple none cauchystat 0.001 yes run 10000 - -unfix 1 - -fix 1 all npt temp 600.0 600.0 1.0 x 0.0 0.0 0.1 y 0.0 0.0 0.1 z 0.0 0.0 0.1 xy -10000.0 -10000.0 0.1 couple none - -run 10000 diff --git a/src/fix_nh.cpp b/src/fix_nh.cpp index c91e07eeac..9cd0987a54 100644 --- a/src/fix_nh.cpp +++ b/src/fix_nh.cpp @@ -347,77 +347,15 @@ FixNH::FixNH(LAMMPS *lmp, int narg, char **arg) : } else error->all(FLERR,"Illegal fix nvt/npt/nph command"); iarg += 2; } else if (strcmp(arg[iarg],"cauchystat") == 0) { - if (iarg+3 > narg) error->all(FLERR,"Illegal fix npt cauchystat command: wrong number of arguments"); - if (strcmp(arg[iarg+2],"yes") != 0 && strcmp(arg[iarg+2],"no") != 0) error->all(FLERR,"Illegal cauchystat continue value. Must be 'yes' or 'no'"); + if (iarg+3 > narg) error->all(FLERR, + "Illegal fix npt cauchystat command:" + " wrong number of arguments"); + if (strcmp(arg[iarg+2],"yes") != 0 && strcmp(arg[iarg+2],"no") != 0) + error->all(FLERR,"Illegal cauchystat continue value. Must be 'yes' or 'no'"); alpha = force->numeric(FLERR,arg[iarg+1]); restartPK = !strcmp(arg[iarg+2],"yes"); - - - if (comm->me == 0) { - if (screen) { - fprintf(screen,"Using the Cauchystat fix with alpha=%f\n",alpha); - if(restartPK==1) { - fprintf(screen," (this is a continuation fix)\n"); - } - else { - fprintf(screen," (this is NOT a continuation fix)\n"); - } - } - if (logfile) { - fprintf(logfile,"Using the Cauchystat with alpha=%f\n",alpha); - if(restartPK==1) { - fprintf(logfile," this is a continuation run\n"); - } - else { - fprintf(logfile," this is NOT a continuation run\n"); - } - } - } - - - if(restartPK==1 && restart_stored==0) { - error->all(FLERR,"Illegal cauchystat command. Continuation run must follow a previously equilibrated Cauchystat run"); - } - - if(alpha<=0.0) { - error->all(FLERR,"Illegal cauchystat command. Alpha cannot be zero or negative"); - } - - initRUN = 0; - initPK = 1; - usePK = 0; - - #define H0(row,col) (H0[(row-1)][(col-1)]) - #define invH0(row,col) (invH0[(row-1)][(col-1)]) - - - // initialize H0 to current box shape - - int triclinic = domain->triclinic; - double *h = domain->h; - double *h_inv = domain->h_inv; - double *boxhi = domain->boxhi; - double *boxlo = domain->boxlo; - double yz = domain->yz; - double xz = domain->xz; - double xy = domain->xy; - - - H0(1,1)=h[0]; H0(1,2)=h[5]; H0(1,3)=h[4]; - H0(2,1)=0.0; H0(2,2)=h[1]; H0(2,3)=h[3]; - H0(3,1)=0.0; H0(3,2)=0.0; H0(3,3)=h[2]; - - invH0(1,1)=h_inv[0]; invH0(1,2)=h_inv[5]; invH0(1,3)=h_inv[4]; - invH0(2,1)=0.0; invH0(2,2)=h_inv[1]; invH0(2,3)=h_inv[3]; - invH0(3,1)=0.0; invH0(3,2)=0.0; invH0(3,3)=h_inv[2]; - - myvol0 = abs(MathExtra::det3(H0)); //find reference volume - - #undef H0 - #undef invH0 - + CauchyStat_init(); iarg += 3; - } else if (strcmp(arg[iarg],"fixedpoint") == 0) { if (iarg+4 > narg) error->all(FLERR,"Illegal fix nvt/npt/nph command"); fixedpoint[0] = force->numeric(FLERR,arg[iarg+1]); @@ -2307,170 +2245,19 @@ void FixNH::compute_press_target() for (int i = 3; i < 6; i++) p_target[i] = p_start[i] + delta * (p_stop[i]-p_start[i]); - // CauchyStat: call CauchyStat to modify p_target[i] and p_hydro, they are used in compute_sigma() + // CauchyStat: call CauchyStat to modify p_target[i] and p_hydro, // if CauchyStat enabled and pressure->vector computation has been initiated - if( (usePK==0) && (initRUN==1) ) { - - double* h = domain->h; // shape matrix in Voigt notation - double* h_rate = domain->h_rate; // rate of box size/shape change in Voigt notation - double H[3][3]; - double Hdot[3][3]; - - #define H(row,col) (H[(row-1)][(col-1)]) - #define Hdot(row,col) (Hdot[(row-1)][(col-1)]) - #define F(row,col) (F[(row-1)][(col-1)]) - #define Fi(row,col) (Fi[(row-1)][(col-1)]) - #define Fdot(row,col) (Fdot[(row-1)][(col-1)]) - #define invH0(row,col) (invH0[(row-1)][(col-1)]) - #define cauchy(row,col) (cauchy[(row-1)][(col-1)]) - #define setcauchy(row,col) (setcauchy[(row-1)][(col-1)]) - #define setPK(row,col) (setPK[(row-1)][(col-1)]) - #define sigmahat(row,col) (sigmahat[(row-1)][(col-1)]) - - H(1,1)=h[0]; H(1,2)=0.0; H(1,3)=0.0; - H(2,1)=0.0; H(2,2)=h[1]; H(2,3)=0.0; - H(3,1)=0.0; H(3,2)=0.0; H(3,3)=h[2]; - - for (int i=0;i<6;i++) { - h_rate[i]=(h[i]-h_old[i])/update->dt; - h_old[i]=h[i]; - } - - Hdot(1,1)=h_rate[0]; Hdot(1,2)=0.0; Hdot(1,3)=0.0; - Hdot(2,1)=0.0; Hdot(2,2)=h_rate[1]; Hdot(2,3)=0.0; - Hdot(3,1)=0.0; Hdot(3,2)=0.0; Hdot(3,3)=h_rate[2]; - - if (domain->triclinic) { - H(1,2)=h[5]; H(1,3)=h[4]; H(2,3)=h[3]; - Hdot(1,2)=h_rate[5]; Hdot(1,3)=h_rate[4]; Hdot(2,3)=h_rate[3]; - } - - double F[3][3]={0.0}; - double FT[3][3]={0.0}; - double Fi[3][3]={0.0}; - double Fdot[3][3]={0.0}; - double J,vol; - - MathExtra::times3(H,invH0,F); //find F - MathExtra::times3(Hdot,invH0,Fdot); //find Fdot - - MathExtra::invert3(F,Fi); - J = MathExtra::det3(F); //find J - vol=myvol0*J; // actual volume - - double deltat; - deltat = update->dt; //increment of time step - - // Current pressure on the cell boundaries: - //tensor: 0 1 2 3 4 5 - // x y z xy xz yz - - double *tensor = pressure->vector; - - double cauchy[3][3]; //stress - cauchy(1,1)=-tensor[0]; cauchy(1,2)=0.0; cauchy(1,3)=0.0; - cauchy(2,1)=0.0; cauchy(2,2)=-tensor[1]; cauchy(2,3)=0.0; - cauchy(3,1)=0.0; cauchy(3,2)=0.0; cauchy(3,3)=-tensor[2]; - - if (domain->triclinic) { - cauchy(1,2)=-tensor[3]; cauchy(1,3)=-tensor[4]; - cauchy(2,1)=-tensor[3]; cauchy(2,3)=-tensor[5]; - cauchy(3,1)=-tensor[4]; cauchy(3,2)=-tensor[5]; - } - - // target pressure on the cell boundaries: - //p_target: 0 1 2 3 4 5 - // x y z yz xz xy - - double setcauchy[3][3]; //stress - setcauchy(1,1)=-p_target[0]; setcauchy(1,2)=0.0; setcauchy(1,3)=0.0; - setcauchy(2,1)=0.0; setcauchy(2,2)=-p_target[1]; setcauchy(2,3)=0.0; - setcauchy(3,1)=0.0; setcauchy(3,2)=0.0; setcauchy(3,3)=-p_target[2]; - - if (domain->triclinic) { - setcauchy(1,2)=-p_target[5]; setcauchy(1,3)=-p_target[4]; - setcauchy(2,1)=-p_target[5]; setcauchy(2,3)=-p_target[3]; - setcauchy(3,1)=-p_target[4]; setcauchy(3,2)=-p_target[3]; - } - - //initialize: - if(initPK==1) { - if(restartPK==1) { - setPK(1,1)=setPKinit[0]; setPK(1,2)=setPKinit[1]; setPK(1,3)=setPKinit[2]; - setPK(2,1)=setPKinit[1]; setPK(2,2)=setPKinit[3]; setPK(2,3)=setPKinit[4]; - setPK(3,1)=setPKinit[2]; setPK(3,2)=setPKinit[4]; setPK(3,3)=setPKinit[5]; - }else { - setPK(1,1)=cauchy(1,1); setPK(1,2)=cauchy(1,2); setPK(1,3)=cauchy(1,3); - setPK(2,1)=cauchy(2,1); setPK(2,2)=cauchy(2,2); setPK(2,3)=cauchy(2,3); - setPK(3,1)=cauchy(3,1); setPK(3,2)=cauchy(3,2); setPK(3,3)=cauchy(3,3); - } - - initPK=0; - } - - //cauchystat: - bigint step = update->ntimestep; - - - - - - CauchyStat(step,F,Fi,Fdot,cauchy,setcauchy,setPK,vol,myvol0,deltat,alpha); - - // use currentPK as new target: - //p_target: 0 1 2 3 4 5 - // x y z yz xz xy - - p_target[0]=-setPK(1,1); - p_target[1]=-setPK(2,2); - p_target[2]=-setPK(3,3); - if (pstyle == TRICLINIC) { - p_target[3]=-setPK(2,3); - p_target[4]=-setPK(1,3); - p_target[5]=-setPK(1,2); - } - - p_hydro = 0.0; - for (int i = 0; i < 3; i++) - if (p_flag[i]) { - p_hydro += p_target[i]; - } - p_hydro /= pdim; - - // save information for Cauchystat restart - setPKinit[0] = setcauchy(1,1); - setPKinit[1] = setcauchy(1,2); - setPKinit[2] = setcauchy(1,3); - setPKinit[3] = setcauchy(2,2); - setPKinit[4] = setcauchy(2,3); - setPKinit[5] = setcauchy(3,3); - restart_stored=1; - - #undef H - #undef Hdot - #undef F - #undef Fi - #undef Fdot - #undef invH0 - #undef cauchy - #undef setcauchy - #undef setPK - #undef sigmahat - - } - + if((usePK==0) && (initRUN==1)) CauchyStat(); if(initRUN==0){ - double* h = domain->h; // shape matrix in Voigt notation for (int i=0;i<6;i++) { - h_old[i]=h[i]; + h_old[i]=domain->h[i]; } } - initRUN=1; // when run is initialized tensor[] not available (pressure on cell wall) - // if deviatoric, recompute sigma each time p_target changes + if (deviatoric_flag) compute_sigma(); } @@ -2622,7 +2409,222 @@ double FixNH::memory_usage() } /* ---------------------------------------------------------------------- - CauchyStat + initialize Cauchystat +------------------------------------------------------------------------- */ + +void FixNH::CauchyStat_init() +{ + if (comm->me == 0) { + if (screen) { + fprintf(screen,"Using the Cauchystat fix with alpha=%f\n",alpha); + if(restartPK==1) { + fprintf(screen," (this is a continuation fix)\n"); + } + else { + fprintf(screen," (this is NOT a continuation fix)\n"); + } + } + if (logfile) { + fprintf(logfile,"Using the Cauchystat with alpha=%f\n",alpha); + if(restartPK==1) { + fprintf(logfile," this is a continuation run\n"); + } + else { + fprintf(logfile," this is NOT a continuation run\n"); + } + } + } + if(restartPK==1 && restart_stored==0) { + error->all(FLERR,"Illegal cauchystat command. Continuation run" + " must follow a previously equilibrated Cauchystat run"); + } + if(alpha<=0.0) { + error->all(FLERR,"Illegal cauchystat command. Alpha cannot be zero or negative"); + } + + initRUN = 0; + initPK = 1; + usePK = 0; + +#define H0(row,col) (H0[(row-1)][(col-1)]) +#define invH0(row,col) (invH0[(row-1)][(col-1)]) + + // initialize H0 to current box shape + + int triclinic = domain->triclinic; + double *h = domain->h; + double *h_inv = domain->h_inv; + double *boxhi = domain->boxhi; + double *boxlo = domain->boxlo; + double yz = domain->yz; + double xz = domain->xz; + double xy = domain->xy; + + H0(1,1)=h[0]; H0(1,2)=h[5]; H0(1,3)=h[4]; + H0(2,1)=0.0; H0(2,2)=h[1]; H0(2,3)=h[3]; + H0(3,1)=0.0; H0(3,2)=0.0; H0(3,3)=h[2]; + + invH0(1,1)=h_inv[0]; invH0(1,2)=h_inv[5]; invH0(1,3)=h_inv[4]; + invH0(2,1)=0.0; invH0(2,2)=h_inv[1]; invH0(2,3)=h_inv[3]; + invH0(3,1)=0.0; invH0(3,2)=0.0; invH0(3,3)=h_inv[2]; + + CSvol0 = abs(MathExtra::det3(H0)); //find reference volume + +#undef H0 +#undef invH0 +} + + + +/* ---------------------------------------------------------------------- + Cauchystat +------------------------------------------------------------------------- */ + +void FixNH::CauchyStat() +{ + double* h = domain->h; // shape matrix in Voigt notation + double* h_rate = domain->h_rate; // rate of box size/shape change in Voigt notation + double H[3][3]; + double Hdot[3][3]; + +#define H(row,col) (H[(row-1)][(col-1)]) +#define Hdot(row,col) (Hdot[(row-1)][(col-1)]) +#define F(row,col) (F[(row-1)][(col-1)]) +#define Fi(row,col) (Fi[(row-1)][(col-1)]) +#define Fdot(row,col) (Fdot[(row-1)][(col-1)]) +#define invH0(row,col) (invH0[(row-1)][(col-1)]) +#define cauchy(row,col) (cauchy[(row-1)][(col-1)]) +#define setcauchy(row,col) (setcauchy[(row-1)][(col-1)]) +#define setPK(row,col) (setPK[(row-1)][(col-1)]) +#define sigmahat(row,col) (sigmahat[(row-1)][(col-1)]) + + H(1,1)=h[0]; H(1,2)=0.0; H(1,3)=0.0; + H(2,1)=0.0; H(2,2)=h[1]; H(2,3)=0.0; + H(3,1)=0.0; H(3,2)=0.0; H(3,3)=h[2]; + + for (int i=0;i<6;i++) { + h_rate[i]=(h[i]-h_old[i])/update->dt; + h_old[i]=h[i]; + } + + Hdot(1,1)=h_rate[0]; Hdot(1,2)=0.0; Hdot(1,3)=0.0; + Hdot(2,1)=0.0; Hdot(2,2)=h_rate[1]; Hdot(2,3)=0.0; + Hdot(3,1)=0.0; Hdot(3,2)=0.0; Hdot(3,3)=h_rate[2]; + + if (domain->triclinic) { + H(1,2)=h[5]; H(1,3)=h[4]; H(2,3)=h[3]; + Hdot(1,2)=h_rate[5]; Hdot(1,3)=h_rate[4]; Hdot(2,3)=h_rate[3]; + } + + double F[3][3]={0.0}; + double FT[3][3]={0.0}; + double Fi[3][3]={0.0}; + double Fdot[3][3]={0.0}; + double J,vol; + + MathExtra::times3(H,invH0,F); + MathExtra::times3(Hdot,invH0,Fdot); + MathExtra::invert3(F,Fi); + J = MathExtra::det3(F); + vol=CSvol0*J; + + double deltat; + deltat = update->dt; //increment of time step + + // Current pressure on the cell boundaries: + //tensor: 0 1 2 3 4 5 + // x y z xy xz yz + + double *tensor = pressure->vector; + + double cauchy[3][3]; + cauchy(1,1)=-tensor[0]; cauchy(1,2)=0.0; cauchy(1,3)=0.0; + cauchy(2,1)=0.0; cauchy(2,2)=-tensor[1]; cauchy(2,3)=0.0; + cauchy(3,1)=0.0; cauchy(3,2)=0.0; cauchy(3,3)=-tensor[2]; + + if (domain->triclinic) { + cauchy(1,2)=-tensor[3]; cauchy(1,3)=-tensor[4]; + cauchy(2,1)=-tensor[3]; cauchy(2,3)=-tensor[5]; + cauchy(3,1)=-tensor[4]; cauchy(3,2)=-tensor[5]; + } + + // target pressure on the cell boundaries: + // p_target: 0 1 2 3 4 5 + // x y z yz xz xy + + double setcauchy[3][3]; + setcauchy(1,1)=-p_target[0]; setcauchy(1,2)=0.0; setcauchy(1,3)=0.0; + setcauchy(2,1)=0.0; setcauchy(2,2)=-p_target[1]; setcauchy(2,3)=0.0; + setcauchy(3,1)=0.0; setcauchy(3,2)=0.0; setcauchy(3,3)=-p_target[2]; + + if (domain->triclinic) { + setcauchy(1,2)=-p_target[5]; setcauchy(1,3)=-p_target[4]; + setcauchy(2,1)=-p_target[5]; setcauchy(2,3)=-p_target[3]; + setcauchy(3,1)=-p_target[4]; setcauchy(3,2)=-p_target[3]; + } + + //initialize: + if(initPK==1) { + if(restartPK==1) { + setPK(1,1)=setPKinit[0]; setPK(1,2)=setPKinit[1]; setPK(1,3)=setPKinit[2]; + setPK(2,1)=setPKinit[1]; setPK(2,2)=setPKinit[3]; setPK(2,3)=setPKinit[4]; + setPK(3,1)=setPKinit[2]; setPK(3,2)=setPKinit[4]; setPK(3,3)=setPKinit[5]; + }else { + setPK(1,1)=cauchy(1,1); setPK(1,2)=cauchy(1,2); setPK(1,3)=cauchy(1,3); + setPK(2,1)=cauchy(2,1); setPK(2,2)=cauchy(2,2); setPK(2,3)=cauchy(2,3); + setPK(3,1)=cauchy(3,1); setPK(3,2)=cauchy(3,2); setPK(3,3)=cauchy(3,3); + } + initPK=0; + } + + CauchyStat_Step(update->ntimestep,F,Fi,Fdot,cauchy,setcauchy,setPK,vol,CSvol0,deltat,alpha); + + // use currentPK as new target: + //p_target: 0 1 2 3 4 5 + // x y z yz xz xy + + p_target[0]=-setPK(1,1); + p_target[1]=-setPK(2,2); + p_target[2]=-setPK(3,3); + if (pstyle == TRICLINIC) { + p_target[3]=-setPK(2,3); + p_target[4]=-setPK(1,3); + p_target[5]=-setPK(1,2); + } + + p_hydro = 0.0; + for (int i = 0; i < 3; i++) + if (p_flag[i]) { + p_hydro += p_target[i]; + } + p_hydro /= pdim; + + // save information for Cauchystat restart + setPKinit[0] = setcauchy(1,1); + setPKinit[1] = setcauchy(1,2); + setPKinit[2] = setcauchy(1,3); + setPKinit[3] = setcauchy(2,2); + setPKinit[4] = setcauchy(2,3); + setPKinit[5] = setcauchy(3,3); + restart_stored=1; + +#undef H +#undef Hdot +#undef F +#undef Fi +#undef Fdot +#undef invH0 +#undef cauchy +#undef setcauchy +#undef setPK +#undef sigmahat + +} + + + +/* ---------------------------------------------------------------------- + CauchyStat_Step Inputs: step : current step number @@ -2632,7 +2634,6 @@ double FixNH::memory_usage() cauchy(3,3) : current cauchy stress tensor setcauchy(3,3) : target cauchy stress tensor alpha : parameter =0.01 - nstat : =1, flag for mod(step,nstat).ne.0 setPK(3,3) : current PK stress tensor, at initialization (time=0) setPK=cauchy volume : current volume of the periodic box volume0 : initial volume of the periodic box @@ -2641,28 +2642,26 @@ double FixNH::memory_usage() Outputs: setPK(3,3) : PK stress tensor at the next time step -------------------------------------------------------------------------- */ + ------------------------------------------------------------------------- */ -void FixNH::CauchyStat(bigint step, double (&F)[3][3], double (&Fi)[3][3], double (&Fdot)[3][3], double (&cauchy)[3][3], double (&setcauchy)[3][3], double (&setPK)[3][3], double volume, double volume0, double deltat, double alpha) +void FixNH::CauchyStat_Step(bigint step, double (&F)[3][3], double (&Fi)[3][3], double (&Fdot)[3][3], double (&cauchy)[3][3], double (&setcauchy)[3][3], double (&setPK)[3][3], double volume, double volume0, double deltat, double alpha) { - int nstat=1; //macros to go from c to fortran style for arrays: - #define F(row,col) (F[(row-1)][(col-1)]) - #define Fi(row,col) (Fi[(row-1)][(col-1)]) - #define Fdot(row,col) (Fdot[(row-1)][(col-1)]) - #define cauchy(row,col) (cauchy[(row-1)][(col-1)]) - #define setcauchy(row,col) (setcauchy[(row-1)][(col-1)]) - #define setPK(row,col) (setPK[(row-1)][(col-1)]) - - #define uv(row,col) (uv[(row-1)][(col-1)]) - #define deltastress(row) (deltastress[(row-1)]) - #define fdotvec(row) (fdotvec[(row-1)]) - #define dsdf(row,col) (dsdf[(row-1)][(col-1)]) - #define dsds(row,col) (dsds[(row-1)][(col-1)]) - #define deltaF(row) (deltaF[(row-1)]) - #define deltaPK(row) (deltaPK[(row-1)]) +#define F(row,col) (F[(row-1)][(col-1)]) +#define Fi(row,col) (Fi[(row-1)][(col-1)]) +#define Fdot(row,col) (Fdot[(row-1)][(col-1)]) +#define cauchy(row,col) (cauchy[(row-1)][(col-1)]) +#define setcauchy(row,col) (setcauchy[(row-1)][(col-1)]) +#define setPK(row,col) (setPK[(row-1)][(col-1)]) +#define uv(row,col) (uv[(row-1)][(col-1)]) +#define deltastress(row) (deltastress[(row-1)]) +#define fdotvec(row) (fdotvec[(row-1)]) +#define dsdf(row,col) (dsdf[(row-1)][(col-1)]) +#define dsds(row,col) (dsds[(row-1)][(col-1)]) +#define deltaF(row) (deltaF[(row-1)]) +#define deltaPK(row) (deltaPK[(row-1)]) //initialize local variables: int i,j,m,n; @@ -2682,80 +2681,73 @@ void FixNH::CauchyStat(bigint step, double (&F)[3][3], double (&Fi)[3][3], doubl uv(5,1)=1; uv(5,2)=3; uv(6,1)=1; uv(6,2)=2; - if( (step % nstat) != 0) { - //do nothing! - }else { - for(int ii = 1;ii <= 6;ii++) { - i=uv(ii,1); - j=uv(ii,2); - deltastress(ii)=setcauchy(i,j)-cauchy(i,j); - if(ii>3) deltastress(ii)=deltastress(ii)*2.0; - fdotvec(ii)=Fdot(i,j)*deltat; - } - - for(int ii = 1;ii <= 6;ii++) { - i=uv(ii,1); - j=uv(ii,2); - for(int jj = 1;jj <= 6;jj++) { - m=uv(jj,1); - n=uv(jj,2); - dsds(ii,jj) = Fi(i,m)*Fi(j,n) + Fi(i,n)*Fi(j,m) + Fi(j,m)*Fi(i,n) + Fi(j,n)*Fi(i,m); - for(int l = 1;l <= 3;l++) { - for(int k = 1;k <= 3;k++) { - dsdf(ii,jj) = dsdf(ii,jj) + cauchy(k,l)*( Fi(i,k)*Fi(j,l)*Fi(n,m) - Fi(i,m)*Fi(j,l)*Fi(n,k) - Fi(i,k)*Fi(j,m)*Fi(n,l) ); - }//k - }//l - }//jj - }//ii - - jac=volume/volume0; - for(int ii = 1;ii <= 6;ii++) { - for(int jj = 1;jj <= 6;jj++) { - dsds(ii,jj)=dsds(ii,jj)*jac/4.0; - dsdf(ii,jj)=dsdf(ii,jj)*jac; - }//jj - }//ii - - for(int ii = 1;ii <= 6;ii++) { - for(int jj = 1;jj <= 6;jj++) { - deltaF(ii)=deltaF(ii)+dsdf(ii,jj)*fdotvec(jj); // deltaF=matmul(dsdf,fdotvec) in the fortran implementation - }//jj - }//ii - - for(int ii = 1;ii <= 6;ii++) { - for(int jj = 1;jj <= 6;jj++) { - deltaPK(ii)=deltaPK(ii)+alpha*dsds(ii,jj)*deltastress(jj); // deltaPK=alpha*matmul(dsds,deltastress) + deltaF in the fortran implementation - }//jj - // this line applies alpha to both terms instead of just the delta sigma term. - deltaPK(ii)=deltaPK(ii)+alpha*deltaF(ii); - // this is the old version - //deltaPK(ii)=deltaPK(ii)+deltaF(ii); - }//ii - - setPK(1,1)=setPK(1,1)+deltaPK(1); //equation (4) in SD-notes.pdf - setPK(2,2)=setPK(2,2)+deltaPK(2); - setPK(3,3)=setPK(3,3)+deltaPK(3); - setPK(2,3)=setPK(2,3)+deltaPK(4); - setPK(3,2)=setPK(3,2)+deltaPK(4); - setPK(1,3)=setPK(1,3)+deltaPK(5); - setPK(3,1)=setPK(3,1)+deltaPK(5); - setPK(1,2)=setPK(1,2)+deltaPK(6); - setPK(2,1)=setPK(2,1)+deltaPK(6); + for(int ii = 1;ii <= 6;ii++) { + i=uv(ii,1); + j=uv(ii,2); + deltastress(ii)=setcauchy(i,j)-cauchy(i,j); + if(ii>3) deltastress(ii)=deltastress(ii)*2.0; + fdotvec(ii)=Fdot(i,j)*deltat; } - //undefine macros: - #undef F - #undef Fi - #undef Fdot - #undef cauchy - #undef setcauchy - #undef setPK - #undef uv - #undef deltastress - #undef fdotvec - #undef dsdf - #undef dsds - #undef deltaF - #undef deltaPK + for(int ii = 1;ii <= 6;ii++) { + i=uv(ii,1); + j=uv(ii,2); + for(int jj = 1;jj <= 6;jj++) { + m=uv(jj,1); + n=uv(jj,2); + dsds(ii,jj) = Fi(i,m)*Fi(j,n) + Fi(i,n)*Fi(j,m) + Fi(j,m)*Fi(i,n) + Fi(j,n)*Fi(i,m); + for(int l = 1;l <= 3;l++) { + for(int k = 1;k <= 3;k++) { + dsdf(ii,jj) = dsdf(ii,jj) + cauchy(k,l)* + ( Fi(i,k)*Fi(j,l)*Fi(n,m) - Fi(i,m)*Fi(j,l)*Fi(n,k) - Fi(i,k)*Fi(j,m)*Fi(n,l) ); + } + } + } + } + + jac=volume/volume0; + for(int ii = 1;ii <= 6;ii++) { + for(int jj = 1;jj <= 6;jj++) { + dsds(ii,jj)=dsds(ii,jj)*jac/4.0; + dsdf(ii,jj)=dsdf(ii,jj)*jac; + } + } + + for(int ii = 1;ii <= 6;ii++) { + for(int jj = 1;jj <= 6;jj++) { + deltaF(ii)=deltaF(ii)+dsdf(ii,jj)*fdotvec(jj); + } + } + + for(int ii = 1;ii <= 6;ii++) { + for(int jj = 1;jj <= 6;jj++) { + deltaPK(ii)=deltaPK(ii)+alpha*dsds(ii,jj)*deltastress(jj); + } + deltaPK(ii)=deltaPK(ii)+alpha*deltaF(ii); + } + + setPK(1,1)=setPK(1,1)+deltaPK(1); + setPK(2,2)=setPK(2,2)+deltaPK(2); + setPK(3,3)=setPK(3,3)+deltaPK(3); + setPK(2,3)=setPK(2,3)+deltaPK(4); + setPK(3,2)=setPK(3,2)+deltaPK(4); + setPK(1,3)=setPK(1,3)+deltaPK(5); + setPK(3,1)=setPK(3,1)+deltaPK(5); + setPK(1,2)=setPK(1,2)+deltaPK(6); + setPK(2,1)=setPK(2,1)+deltaPK(6); + +#undef F +#undef Fi +#undef Fdot +#undef cauchy +#undef setcauchy +#undef setPK +#undef uv +#undef deltastress +#undef fdotvec +#undef dsdf +#undef dsds +#undef deltaF +#undef deltaPK } diff --git a/src/fix_nh.h b/src/fix_nh.h index ba8523f86d..e54780a4b1 100644 --- a/src/fix_nh.h +++ b/src/fix_nh.h @@ -144,17 +144,21 @@ class FixNH : public Fix { double H0[3][3]; //shape matrix for the undeformed cell double h_old[6]; //previous time step shape matrix for the undeformed cell double invH0[3][3]; //inverse of H0; - double myvol0; - double setPK[3][3]; - static double setPKinit[6]; - double alpha; //integration parameter cauchystat + double CSvol0; //volume of undeformed cell + double setPK[3][3]; //current set values of the PK stress (this is modified until the cauchy stress converges) + static double setPKinit[6]; // initialization value of setPK for continuation runs + double alpha; //integration parameter for the cauchystat int initPK; // 1 if setPK needs to be initialized either from cauchy or restart, else 0 int usePK; // 0 if use CauchyStat else 1 static int restartPK; // Read PK stress from the previous step - static int restart_stored; // Read PK stress from the previous step + static int restart_stored; // Read PK stress from the previous step int initRUN; // 0 if run not initialized (pressure->vector not computed yet), else 1 (pressure->vector available) - virtual void CauchyStat(bigint step, double (&F)[3][3], double (&Fi)[3][3], double (&Fdot)[3][3], double (&cauchy)[3][3], double (&setcauchy)[3][3], double (&setPK)[3][3], double volume, double volume0, double deltat, double alpha); + virtual void CauchyStat_init(); + virtual void CauchyStat(); + virtual void CauchyStat_Step(bigint step, double (&F)[3][3], double (&Fi)[3][3], double (&Fdot)[3][3], + double (&cauchy)[3][3], double (&setcauchy)[3][3], double (&setPK)[3][3], + double volume, double volume0, double deltat, double alpha); };