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=99.6230331736131 stress="-0.0007813891183341466 -3.78546591833402e-06 -0.0005257392165884448 -3.78546591833402e-06 -0.000881949143122978 0.00015673814336732817 -0.0005257392165884448 0.00015673814336732817 -0.0008841262714767131" free_energy=99.6230331736131 pbc="F F F" Cu 35.22086729 34.98310996 34.77096654 -3.25362865 -2.17339096 -2.76347895 Cu 36.59933616 35.93572417 35.98055861 -7.99632654 -12.29670034 8.51796197 Cu 37.14715992 37.22516294 35.23402360 -1.01871574 6.91528087 -22.59285242 Cu 37.93229823 38.31172061 36.19084223 3.70913357 13.10148661 5.43568255 Cu 37.29465675 34.93158033 37.44481085 0.99047076 -4.95706950 5.20325717 Cu 38.85840215 35.76443239 38.74197382 1.56567477 2.12491947 1.33935083 Cu 35.01305245 38.37091231 38.11880303 -6.82825087 -3.63839278 -5.39716460 Cu 36.55604684 39.07636534 38.99475015 -10.41518160 43.81781383 -20.51137768 Cu 40.37367246 35.41590283 35.08987003 -2.20344022 -0.10939065 -0.86205960 Cu 41.81595901 36.02721648 36.76701063 -14.10776439 10.79396219 -10.17961109 Cu 42.56413860 37.03899175 34.86420263 -1.55431875 -1.44418261 -3.34495280 Cu 43.67982227 38.56376137 35.86736005 2.12308858 1.95511990 1.74942748 Cu 42.81964364 35.29825864 37.79414119 12.05949891 -11.96838347 13.06495799 Cu 43.94092265 36.80036726 38.96963967 19.04190851 -1.27579267 -17.22428894 Cu 39.40261487 37.96164842 37.39358535 -12.30515326 -2.34624799 -16.49074871 Cu 40.43030572 37.98189139 38.53171715 19.61891469 0.65575393 21.51311693 Cu 35.19056740 39.70676063 35.45558802 -6.13166976 -6.13311914 -3.46320770 Cu 36.49928622 40.79692580 36.24085714 5.43708943 5.31811630 4.14815073 Cu 37.72869154 42.49751932 35.09651729 -5.82037257 -5.91120410 -10.11559141 Cu 38.61643991 43.32327578 36.40123177 -23.22548176 23.67925917 -9.69607264 Cu 37.95366604 39.88968876 37.71888199 -9.41704897 -5.56940219 -6.71153347 Cu 39.18297782 40.79320854 38.39174556 14.16618946 8.96358943 5.95809365 Cu 35.34278350 42.83814538 37.63905551 -1.64089066 -8.77311556 -14.22042582 Cu 35.60366252 43.66349090 39.11824152 3.01428212 7.42109904 14.81330848 Cu 40.26176311 40.27927672 34.77599447 -1.66484226 -0.77935418 -0.15406497 Cu 41.60365422 41.12475624 36.46651109 -9.59895113 11.53498549 -7.50628550 Cu 41.67119966 43.29253646 34.78221554 -1.99180076 -0.53627487 -0.49808170 Cu 43.57559210 43.55058575 36.17451505 0.76970555 -0.48739404 1.63326449 Cu 42.58087455 40.09122498 37.35935114 7.65679904 -11.71199524 9.88356452 Cu 43.97462727 41.11272182 38.87984742 1.07261961 0.10235191 1.25244026 Cu 39.66448343 42.68403127 37.11226018 28.83923321 -17.90001315 18.34375287 Cu 40.97555741 43.31914392 38.89352680 -14.38008470 5.28469867 -7.39381997 Cu 34.77045360 35.28866239 39.68786656 -0.87062587 -0.17264845 -2.27238673 Cu 36.11803101 36.09305905 41.30199494 -35.01952162 60.93859018 -54.41430421 Cu 37.00297454 37.99791377 39.62151619 18.81552963 -44.19600270 24.45168607 Cu 38.55150311 38.51894432 41.34725891 -4.52993330 -5.42127598 3.49362295 Cu 36.59945583 35.33216459 42.01011072 38.62194851 -58.99029092 55.37958520 Cu 39.08450338 35.75571598 43.58475277 -8.34748070 -19.51743459 12.19863171 Cu 34.99655912 37.96978731 42.51668654 -6.51095659 -4.57770664 -6.03076209 Cu 36.22422232 38.91950201 43.54655608 -5.55197049 -6.47816099 12.45976642 Cu 39.87147529 35.00206044 40.83625574 -5.74998118 -2.93725279 -1.60025794 Cu 41.48837336 36.00831489 41.43404765 -12.33638680 28.03858493 -9.98160527 Cu 42.84911873 37.01595790 40.07449325 -20.34348822 -1.12788756 11.58800354 Cu 43.60556472 38.49425818 41.03735392 2.35161683 7.21580598 4.58942199 Cu 42.20384740 34.85081933 42.03810700 15.77867416 -25.30906021 13.05465820 Cu 43.75567948 35.58042468 44.03850275 -0.16856736 0.44580448 -0.14435968 Cu 39.60939942 37.00409575 42.77385137 7.91595126 19.03525465 -12.39274777 Cu 40.88981588 38.99050463 43.64455433 0.08975826 -0.88132431 -0.73049882 Cu 35.03346674 39.71662307 40.34902654 -4.91064928 -1.84550746 0.88948510 Cu 36.12753280 41.21395641 41.27609686 2.68797237 2.76436505 0.91121120 Cu 37.82350393 42.21827495 39.80335328 -7.21661014 -10.16340233 -10.51067726 Cu 38.63834321 43.28337470 40.87827378 7.02787804 9.73270391 9.51885286 Cu 37.36102597 39.94186987 42.87644269 13.59705995 11.80951145 -6.89558771 Cu 39.67171808 41.11056424 43.96640764 -1.51876546 -0.48471115 1.84992352 Cu 34.85019353 42.97085593 42.41342367 -5.22009675 -1.10379865 -3.90242265 Cu 36.40009545 43.42893138 43.60183795 5.63754964 0.82126199 3.25597959 Cu 39.60146438 39.74812168 40.36805486 2.44459604 2.10600781 -4.23186003 Cu 40.89974943 41.22892384 41.12165250 14.47746658 -20.98295707 -26.54824493 Cu 42.34497277 42.80178516 39.71375535 14.17187322 -5.53051555 8.75858267 Cu 43.52483290 44.05828627 41.79540240 -0.45068363 -0.68082620 0.19218819 Cu 42.53145179 40.69547502 42.81686792 -2.60701336 -3.19150769 -4.25447426 Cu 43.70438034 41.68532165 44.08892020 3.31575806 3.53484671 3.80203744 Cu 40.39757659 42.11536967 42.13716159 -12.21211337 24.02371898 24.00260697 Cu 41.35575003 43.97629211 43.72804991 0.12052595 -0.53119824 -0.21676619