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=-17.75414088534726 stress="-0.0005772706162895547 -5.7834861515988616e-05 -0.00032120559510893953 -5.7834861515988616e-05 -0.0006672142240052874 3.835473385365312e-05 -0.00032120559510893953 3.835473385365312e-05 -0.0005566815582410587" pbc="F F F" Cu 35.22086729 34.98310996 34.77096654 -1.37407234 -0.77222389 -1.14438469 Cu 36.59933616 35.93572417 35.98055861 -5.71789847 -16.20572440 12.23834223 Cu 37.14715992 37.22516294 35.23402360 -1.02475195 6.07746898 -20.17846967 Cu 37.93229823 38.31172061 36.19084223 7.28221044 11.03799033 8.60165904 Cu 37.29465675 35.14771729 38.20399864 -0.88730009 0.40790330 0.26741619 Cu 39.35802973 36.07349581 38.45018589 -1.04916883 -8.82790970 7.25144131 Cu 34.76884260 38.20444678 38.02575960 -0.20349042 -0.62920470 -0.72801923 Cu 36.55604684 39.07636534 38.99475015 -18.16650783 43.64822277 -24.54742585 Cu 40.23975440 35.55577733 35.25284888 -1.68828411 0.28974114 -1.15867735 Cu 41.57116719 36.00454661 36.78983070 -4.11914157 4.36914266 -3.14515180 Cu 42.51432400 36.93324962 34.69615509 -0.53910105 0.23375227 1.00659684 Cu 43.42712388 38.91385061 36.22088890 2.82605842 -5.59716659 -4.55348934 Cu 42.81964364 35.29825864 37.90182602 5.04761501 -3.13081193 5.09382862 Cu 43.94092265 36.79747090 39.26025248 9.66711073 -6.76621840 -9.09496214 Cu 39.61890133 37.43827487 37.40447350 1.69478786 9.05220470 -7.25852283 Cu 41.32868209 38.48931485 38.46659910 0.55056807 -0.32390809 0.53807967 Cu 34.72941635 39.65017747 35.17843495 -1.28683149 -3.55471856 -0.94325177 Cu 35.67994952 41.20201413 35.91957267 -2.69907219 -2.34321440 5.87702659 Cu 36.83832478 42.32454839 35.07964709 5.26550627 4.64853274 -3.30612564 Cu 38.61643991 43.32327578 36.40123177 -29.17475720 17.39558831 -19.34284425 Cu 37.95366604 39.88968876 37.71888199 -9.90643770 -5.94908245 -7.93977062 Cu 39.18297782 40.79320854 38.39174556 11.66917775 10.51016240 3.42630666 Cu 35.30302897 42.83814538 37.63905551 -0.29087736 -2.49805726 -2.49535352 Cu 35.93114464 43.99801325 39.11824152 1.73598528 1.24296615 2.90084152 Cu 40.10049303 40.54851891 34.85209736 -0.73998428 -0.09082153 0.71267704 Cu 41.60365422 41.12475624 36.46651109 -8.64179320 9.79015995 -7.36483482 Cu 42.06544791 43.43063630 35.46577408 -12.76290825 -3.40524423 -3.83294313 Cu 43.61612729 43.80145122 36.02098422 11.84391391 2.45605222 4.78151456 Cu 42.58087455 40.09122498 37.35935114 4.51906313 -4.97318274 11.28797386 Cu 43.53127631 41.09201764 38.97117919 0.94104493 -0.33120730 1.50970326 Cu 39.66448343 42.68403127 37.11226018 28.52686900 -17.56509985 18.12870214 Cu 40.97555741 43.07655432 38.89352680 -15.47430595 2.80681714 -8.47333775 Cu 35.04263434 35.15136053 39.28249517 -2.04681024 -0.29489929 -3.54862276 Cu 36.21994698 35.60264947 40.79204899 -2.24397774 5.02398524 -8.19814570 Cu 37.00297454 37.99791377 39.62151619 18.70519134 -45.61738617 26.15677001 Cu 38.81127333 38.51894432 41.34725891 -2.05036004 -2.35470199 3.02003118 Cu 36.91735306 35.17049102 42.29388522 5.75395147 -2.43998009 11.23667694 Cu 39.08450338 35.75571598 43.99881808 -4.65583034 -8.59631181 6.25028074 Cu 35.23710347 37.57017884 42.51668654 -1.32513228 -3.10736275 -3.25420154 Cu 36.22422232 38.91950201 43.54655608 -8.10094369 -6.56408904 7.99181016 Cu 39.94590214 35.43324153 40.72739038 -9.03648795 -2.66296642 -3.60869401 Cu 41.48837336 36.00831489 41.43404765 -6.31933959 27.24754323 -8.25624104 Cu 42.84911873 37.58984275 40.26936712 -32.22552276 -19.02704999 -13.81189220 Cu 43.60556472 38.49425818 41.03735392 21.69401767 27.11097226 22.99451041 Cu 42.20384740 34.85081933 42.03810700 14.92196908 -23.31408813 12.69009308 Cu 43.86847215 36.00394286 43.76534421 -0.91829112 0.22303630 -0.87897464 Cu 39.73333753 37.00409575 43.00005349 2.66382698 6.97894289 -8.49544046 Cu 41.03695434 38.28719268 43.94632733 1.72178080 1.88247255 0.24368062 Cu 34.94292271 39.80099153 40.20999044 -1.15059100 0.12981462 1.12241015 Cu 36.26332309 41.49467021 41.17665376 -0.24328734 -0.44822404 0.86738345 Cu 37.82350393 42.21827495 39.80335328 -5.38279606 -7.66034156 -9.14571908 Cu 38.63834321 43.28337470 40.87827378 5.92708316 7.74106931 8.03522053 Cu 37.36102597 39.94186987 42.87644269 9.83897198 9.34625017 -7.26114400 Cu 39.23911782 40.86547492 43.69892213 0.74532788 -0.14906618 0.09890009 Cu 35.06236183 42.74812411 42.77511221 -0.45030396 -0.89194263 -0.73741557 Cu 36.48115325 43.96771709 43.78828861 1.15195786 0.15187086 0.02207764 Cu 39.68857725 39.62342496 39.94578024 2.45351110 -0.60939308 -0.04878798 Cu 40.89974943 41.22892384 41.12165250 12.57351179 -22.56697141 -26.70207313 Cu 42.34497277 42.80178516 39.71375535 15.43313861 -2.31401171 10.39213889 Cu 43.94674946 43.83088558 41.99939752 -1.06349738 -1.19240756 0.00019893 Cu 42.80425086 40.90660926 42.38824999 -7.80190746 -4.71166410 -11.38122202 Cu 43.73378564 41.43478714 43.66957874 7.76704085 5.24502370 10.91436195 Cu 40.39757659 42.11536967 42.13716159 -12.71284867 22.62438932 25.27977970 Cu 40.99934153 43.70821989 43.60820831 0.55342051 -0.18542156 -0.10229548