64 Lattice="70.0 0.0 0.0 0.0 70.0 0.0 0.0 0.0 70.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=4705.74809441907 stress="0.37180782986574124 0.04241042925310454 -0.44844721669724036 0.04241042925310454 -0.009705583237378256 -0.05253810285692201 -0.44844721669724036 -0.05253810285692201 0.5227840651482853" free_energy=4705.74809441907 pbc="F F F" Cu 35.36856691 34.95255697 34.75633355 -14.86226384 -13.42907075 -23.08962276 Cu 36.36459564 35.88413106 36.25846798 -22.67351448 -59.23501715 37.88820853 Cu 36.66031309 37.35810413 35.23716405 17.79732842 84.69205697 -51.63972218 Cu 39.40866924 38.64416779 35.77348501 -753.80272226 -848.55260209 1712.28064163 Cu 37.47352645 35.43186484 37.81698875 -65734.08458132 -8760.59621596 78434.55318202 Cu 39.42639671 36.80856405 38.51046131 -8269.03311791 -5857.70584057 11274.25648588 Cu 35.45184067 37.33785073 37.74056364 -0.66707552 -3.35570937 5.05252949 Cu 35.53654017 39.42169680 38.64180572 185.51739791 -211.36401865 -387.42395806 Cu 39.61129008 35.19071445 35.40590881 0.21390478 1.32424134 2.03507515 Cu 41.11431197 36.80703055 36.92641183 179.60187995 -36.75716213 -147.65742100 Cu 42.53970253 37.36646402 34.94955264 0.22282201 -0.53224986 2.97865762 Cu 43.54205426 39.15927143 36.60327905 94.02927776 -71.07870255 -93.04193123 Cu 42.82690743 35.37018430 37.09739451 3.03490677 -9.72324345 -7.57458260 Cu 43.61275064 36.87946774 38.53469713 9.58659651 4.93966406 -13.25416688 Cu 39.85021844 37.10779906 37.93280435 8095.84599297 5886.58343258 -11139.89579602 Cu 41.49862407 38.63365574 38.89225295 -14.99166007 -21.01706124 -13.19070925 Cu 35.41477169 40.22348777 35.10432754 -89.81523940 -189.59531231 -77.24710113 Cu 36.10513980 41.60557651 35.69249936 -612.68072031 -689.06186236 535.77243555 Cu 36.88651304 42.49905451 35.16391302 750.56848331 859.65082051 -513.18282976 Cu 38.40849708 44.08997794 35.66882669 5.89078021 4.29908861 2.36321408 Cu 37.78325439 39.70911591 36.82498251 -12.98403579 3.52802745 0.89498820 Cu 39.64284799 40.78422806 38.11990461 -4.76636093 9.13535815 -19.44920421 Cu 34.92199822 41.89121129 37.10190915 -58.17718927 -16.60536204 48.36918212 Cu 35.63137230 43.61767962 37.92535692 10.80308018 22.94377364 9.60146937 Cu 39.85079420 39.13349747 34.77476686 759.19687399 840.98983078 -1714.35421401 Cu 41.14719631 41.87862215 36.27224188 686.90267248 -615.66613748 -467.29455469 Cu 43.05306151 42.44418514 35.17702829 -87.61919845 -77.69482021 -97.57208677 Cu 44.09342096 43.33107215 36.23130752 93.35584919 78.82004595 95.26652339 Cu 42.45536320 39.93123165 37.70713317 -83.43932900 92.61194245 73.97612239 Cu 44.07680435 41.33129044 38.78723234 -0.26696097 2.24247484 0.09961730 Cu 40.25313788 42.66797908 36.88153271 -690.49396404 618.26603918 472.31590448 Cu 41.44587797 44.02846221 39.23382572 -247.67570784 190.97477953 -193.32612456 Cu 35.43161916 35.16011112 40.25136235 65703.01753350 8651.64699725 -78424.04082274 Cu 36.24581132 36.70324737 40.60783236 56.69213672 104.70793419 17.38539980 Cu 38.24174831 37.96522721 39.75439459 -378.70659708 -374.86621957 -853.63091200 Cu 38.72093621 38.47873224 40.89886820 386.94918423 345.92919647 832.29928154 Cu 37.04375749 34.72598989 41.90914498 4.43637854 0.97371374 3.24439542 Cu 39.19363461 36.22449721 43.68636944 -73.79725998 -210.27147178 95.82468423 Cu 34.85923191 36.89331746 42.52248257 -6.18028134 -9.24787426 -5.56094548 Cu 36.02081805 38.31941388 43.72604011 7.13957163 8.21219679 4.97400239 Cu 39.34745833 34.94534088 40.48487633 0.26032960 1.81361795 -0.13634681 Cu 41.87205924 35.84972255 41.10094685 -20.19006060 -39.63187737 17.59739228 Cu 42.49143813 37.46995228 40.23248731 18.46205502 29.45174020 9.87117768 Cu 43.96268352 38.24352605 41.82248686 26.03501600 -24.80724918 -6.61230141 Cu 42.45222625 34.52550671 42.86294413 -5.34539529 -10.55172684 -0.67715892 Cu 43.81126583 35.88090968 43.92931189 7.15816970 8.32166866 4.33004755 Cu 39.68432269 37.64159644 43.02976534 69.65171845 208.37010271 -98.28480244 Cu 41.32430197 39.15325701 43.81728805 -28.50416612 -5.21753937 28.52022813 Cu 34.96922642 40.10951699 39.84457838 -189.32984293 217.67711071 384.66314641 Cu 36.76805477 41.25186841 40.55125382 -14.94312623 -15.51567806 9.59886157 Cu 38.20399990 42.60719614 40.02474521 -19.62027918 -162.69749448 -119.00866044 Cu 38.53567522 43.99570329 40.87489515 42.91310341 179.15133037 110.20483123 Cu 37.79048513 39.61754513 42.11307723 -28.74674105 34.98932608 41.53217652 Cu 39.13231745 41.21904623 44.13222644 3.57038845 -2.55413075 -5.54497859 Cu 35.38832240 42.96286566 42.91408664 -139.52226469 -131.54165126 -69.93620052 Cu 36.53659270 44.03698770 43.48111858 140.46762078 131.02091862 68.57947498 Cu 40.15828590 39.85718624 39.87231493 -8.42415171 2.05824208 29.59428540 Cu 41.42564536 41.59105527 40.59371875 59.66340880 -90.41939900 -66.56507210 Cu 42.48100617 43.20587919 40.04799626 264.75949114 -166.94718957 182.46658799 Cu 43.98957075 43.86821842 41.94872360 -2.96790329 -1.38500382 3.16260349 Cu 42.68997896 39.65277810 42.46530490 3.66171099 37.89908726 -18.23749410 Cu 43.71777539 41.51326255 44.06587513 -1.49573469 0.68260298 -1.78529843 Cu 40.39489869 42.48899718 41.71353301 -73.94473532 64.71636918 81.93817599 Cu 41.88664984 43.41619212 43.98977801 2.34651751 -0.99883781 -4.27597065