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=-80.00119063774616 stress="-0.000536294601287927 -0.00017306149018674424 -0.0003034308325776409 -0.00017306149018674424 -0.00046895339891676104 -0.00011914536014290649 -0.0003034308325776409 -0.00011914536014290649 -0.00039501529550656765" free_energy=-80.00119063774616 pbc="F F F" Cu 35.22086729 34.98310996 34.77096654 -2.50907498 -1.37029425 -2.26138145 Cu 36.59933616 35.93572417 35.98055861 -4.14140275 -14.18313592 12.52934246 Cu 37.14715992 37.22516294 35.23402360 -4.81811069 0.85420832 -18.77772156 Cu 37.93229823 38.31172061 35.96390753 12.28666481 16.63188647 11.26184672 Cu 37.29465675 34.93158033 37.83765651 -4.08545678 -0.82521104 -1.78017219 Cu 38.85840215 35.76443239 38.75277156 1.87830332 2.78448759 0.11749573 Cu 34.64671032 37.47843907 38.02587658 2.69856048 1.12724325 1.09740223 Cu 36.55604684 39.07636534 38.99475015 11.37822507 10.03482152 -14.62340714 Cu 40.81566554 35.79339813 35.06577139 -1.56056735 -1.09691642 -4.59536066 Cu 41.52428805 36.35891777 36.83816590 -0.77063479 3.71701798 2.96048078 Cu 42.56413860 37.42957765 34.86420263 -6.50607887 -6.02252939 -5.06137261 Cu 43.67982227 38.56376137 35.86736005 4.81533845 7.36960881 7.00979672 Cu 42.81964364 35.29825864 37.98568119 -6.37600377 -11.88927596 -4.80495566 Cu 43.94092265 36.52024635 38.78884248 19.86573075 1.97218848 -4.77464252 Cu 39.63485376 37.67682157 37.70540673 -13.27729240 -3.28738684 -11.00599749 Cu 40.92663375 38.06204073 38.77269330 12.64449730 3.81601755 9.86943766 Cu 34.75331176 39.95945902 35.10549878 -3.11204508 -2.94370745 -3.17321942 Cu 36.14575737 40.88078096 36.24085714 4.67139175 4.43564701 4.30324589 Cu 37.04390700 42.73181923 34.69446895 1.26751717 -0.40386150 3.60534661 Cu 38.61643991 43.32327578 36.40123177 -20.61133255 9.18980376 -13.26748092 Cu 37.95366604 39.88968876 37.71888199 -11.33591838 -9.34358997 -6.79152611 Cu 39.18297782 40.79320854 38.39174556 11.26196233 9.62200603 4.83178094 Cu 35.30609528 42.83814538 37.63905551 -4.14807876 -9.49441268 -15.96368319 Cu 35.90975672 43.66349090 39.11824152 7.14393187 6.43400261 15.74446738 Cu 40.35742060 40.07093323 34.98788515 -1.11127409 -1.51700476 -0.46397651 Cu 41.60365422 41.12475624 36.46651109 -10.19669423 9.97669373 -5.65350435 Cu 42.08719290 42.47497526 34.86252385 1.51217166 2.34532206 -0.34734676 Cu 43.80466679 43.89897133 36.11454210 -1.41836938 -1.53035440 -0.67584630 Cu 42.58087455 40.09122498 37.35935114 6.46052524 -14.08456390 4.40843093 Cu 43.89383841 41.09133389 38.54532507 2.20730309 3.96000895 4.13513819 Cu 39.66448343 42.68403127 37.11226018 19.48750930 -12.62718112 13.53500208 Cu 40.97555741 43.31914392 38.89352680 -16.47328632 4.01523152 -8.50892856 Cu 35.54939753 35.04331559 39.53882749 -3.59387282 -4.64364830 -7.46292265 Cu 36.45143159 36.09305905 40.82670949 1.79145327 9.12428715 2.87397342 Cu 37.00297454 37.99791377 39.62151619 14.18751997 -20.89104467 9.18842615 Cu 38.55150311 38.51894432 41.34725891 -5.89967237 -6.17921509 4.80002657 Cu 37.07742728 34.93096406 42.36669775 3.75654516 -1.44941838 4.75996119 Cu 39.08450338 35.75571598 43.58475277 -8.93593170 -10.32158616 4.08476012 Cu 34.99655912 37.96978731 42.51668654 -9.18870332 -8.39107973 -10.87591927 Cu 36.22422232 38.91950201 43.54655608 -2.95768562 -3.88650277 16.18319354 Cu 39.93378811 35.03806491 40.41040162 -1.00061075 -2.26444761 0.57518003 Cu 41.48837336 36.00831489 41.43404765 -5.28502228 17.43994555 -8.56013196 Cu 42.84911873 37.25854751 39.78191769 -17.77889614 1.69399707 6.45634783 Cu 43.60556472 38.49425818 41.03735392 3.58223620 7.10992967 6.47739208 Cu 42.20384740 34.85081933 42.03810700 10.29024361 -13.28587054 10.50147048 Cu 43.64763455 35.71232769 44.00814638 -2.39214749 -1.10325922 -3.11618148 Cu 40.09980901 37.00409575 42.77385137 3.64155204 5.00955031 -9.35682651 Cu 40.91653342 38.42145286 43.87756473 2.79173828 6.18341706 3.55863253 Cu 35.15409941 39.46815113 39.53783902 -24.45349536 10.08643869 8.36186434 Cu 35.97585852 41.42083944 41.24711263 2.11513630 -3.29183917 -2.05160715 Cu 37.82350393 42.21827495 39.80335328 -8.83056995 -10.49312771 -11.46088778 Cu 38.63834321 43.28337470 40.87827378 10.05581912 8.59636577 11.34392166 Cu 37.36102597 39.94186987 42.87644269 12.21903545 12.44384876 -9.36781914 Cu 39.23678693 40.81496342 43.49935302 1.28165464 -0.02344357 0.86682597 Cu 34.87470272 42.95270914 42.25115442 0.49871269 1.78277133 1.22250914 Cu 37.10223063 43.31743141 43.73790991 -0.84126008 -1.15448196 -1.88472968 Cu 39.50493887 39.74812168 40.36805486 3.68504956 5.44337215 -5.07792660 Cu 40.89974943 41.22892384 41.12165250 1.44762167 -5.57210558 -14.53012273 Cu 42.34497277 42.80178516 39.71375535 13.32443395 -8.27003698 6.97165282 Cu 43.61178761 43.57033121 41.23892866 0.64167513 -0.02044774 2.68785525 Cu 42.52057961 40.84629992 42.19794368 4.47373723 -3.23493777 1.53754610 Cu 43.80975636 41.47864731 43.83332329 0.48055425 1.39389074 0.72840838 Cu 40.39757659 42.11536967 42.13716159 -6.88518929 11.86204540 9.06613914 Cu 41.31420697 43.57201281 43.73298293 0.65032726 -1.36013671 -1.37970269