108 Lattice="10.604002763096108 0.0 0.0 0.0 10.604002763096108 0.0 0.0 0.0 10.604002763096108" Properties=species:S:1:pos:R:3:forces:R:3 energy=-379.81262590693746 stress="-0.006751144784614681 0.00041151447886629506 2.8112238688686547e-05 0.00041151447886629506 -0.0065279603374975535 7.07709815566263e-05 2.8112238688686547e-05 7.07709815566263e-05 -0.006528220583730637" free_energy=-379.81262590693746 pbc="F F F" Cu 0.02367299 0.01750661 0.00728579 0.09993602 0.33387075 0.19872990 Cu 1.77115078 1.73594430 0.02751841 -0.15129019 0.08083169 -0.04889648 Cu 1.70742740 0.02241197 1.73093598 0.35058975 -0.17072309 0.09748221 Cu 0.04115915 1.73402601 1.79423031 -0.18290463 0.17891534 -0.30136208 Cu 3.55981726 0.04774978 0.01916245 -0.05290181 -0.11333639 0.04884378 Cu 5.28684457 1.78953096 0.02890274 0.09505601 -0.20177825 -0.09354867 Cu 5.31284365 0.00206807 1.78488233 0.08200714 -0.03595122 -0.22612282 Cu 3.53936218 1.73859855 1.73343416 -0.09918759 -0.05398541 -0.09259190 Cu 7.04492285 0.01689958 0.03107044 0.00482516 0.26428876 0.21156176 Cu 8.85517055 1.77414514 0.03044561 -0.19775304 0.10655713 0.24489339 Cu 8.84903953 0.03263129 1.78333707 -0.12140965 0.08243450 -0.00462523 Cu 7.10913322 1.73635771 1.78345092 -0.07982417 0.12584565 -0.33088502 Cu 0.00268401 3.48914568 0.01159340 0.18954045 -0.09823146 0.20484361 Cu 1.76933070 5.26102386 0.01218150 -0.31666420 0.26747940 -0.04660095 Cu 1.76352619 3.52352486 1.74440041 -0.35955182 -0.01884838 -0.06383336 Cu 0.03085728 5.31832443 1.79169001 -0.15190981 -0.07495920 -0.33757943 Cu 3.49068423 3.55286497 0.02304747 0.24041149 -0.15608395 -0.31538281 Cu 5.33422955 5.33594469 0.02763753 -0.08326350 -0.23739055 -0.23246086 Cu 5.28764673 3.55569304 1.76777120 0.16070459 -0.21169274 -0.49217797 Cu 3.54970830 5.26817783 1.79180320 -0.30797260 0.31169824 -0.53108846 Cu 7.05255944 3.48795412 0.03150234 0.29349398 0.07786807 -0.07529631 Cu 8.85499704 5.26193049 0.01231379 -0.26639477 0.03487770 0.15628259 Cu 8.82865207 3.55015937 1.79633685 0.08088623 -0.11039749 -0.16452141 Cu 7.09386434 5.28061205 1.77316376 0.21354345 0.19031644 -0.32376511 Cu 0.00615676 7.07483754 0.02390187 0.20058839 -0.09378660 0.07653967 Cu 1.77895108 8.86949928 0.00315130 0.12413937 -0.26017911 0.23649615 Cu 1.71674158 7.07770020 1.74800565 0.33020284 0.17603979 -0.18706702 Cu 0.02519864 8.81650322 1.71563671 0.00094756 -0.06713426 0.08134352 Cu 3.54576607 7.04063201 0.02855372 -0.16376191 0.17838079 -0.06272187 Cu 5.28040246 8.86412287 0.03024617 0.09731215 -0.20501338 0.04348976 Cu 5.30114576 7.08932598 1.76449745 0.03667912 0.11860063 -0.21503398 Cu 3.56123073 8.84662000 1.72316283 -0.31952340 -0.02677583 0.13487817 Cu 7.04839803 7.07287451 0.03744909 0.34594295 0.29764930 0.06108983 Cu 8.86831127 8.84184513 0.00582793 -0.39605408 -0.34328636 0.39855559 Cu 8.83074227 7.08368751 1.76457002 -0.19096901 0.12025978 -0.07323982 Cu 7.05085100 8.84904631 1.78462566 0.24494151 -0.14699733 -0.16209436 Cu 0.00457222 0.02430860 3.51728192 0.11269526 0.04299223 0.08677939 Cu 1.79107051 1.73878102 3.48380955 -0.40979840 -0.11476064 0.29820635 Cu 1.79093696 0.03482521 5.27473450 -0.24086686 -0.14078953 0.03994464 Cu 0.00721351 1.75831452 5.32172689 -0.03888274 -0.06819935 -0.18543312 Cu 3.56568039 0.03126125 3.50572343 -0.25400325 -0.33586444 -0.14241850 Cu 5.27571607 1.79964985 3.50761840 0.36454766 -0.52971135 0.01557316 Cu 5.28322670 0.03308094 5.26526014 0.20624520 -0.28158720 0.11879331 Cu 3.55771641 1.73694987 5.28445442 -0.33731959 -0.08474038 0.16702382 Cu 7.07380678 0.02771677 3.50127570 0.12089059 -0.12871149 0.20136939 Cu 8.81684124 1.78865557 3.51491297 0.14714295 -0.24228743 0.08501335 Cu 8.83184863 0.02333004 5.28857829 -0.10000662 0.18285762 -0.11780860 Cu 7.06652124 1.76966561 5.31327934 0.36590081 -0.37999106 -0.09540203 Cu 0.01744047 3.56702961 3.53127659 -0.18840538 -0.37269752 -0.10615064 Cu 1.74766457 5.31985751 3.56025021 -0.14120445 -0.04792541 -0.22702654 Cu 1.73607692 3.56642408 5.31587064 -0.11064783 -0.44403026 -0.13689831 Cu 0.01802651 5.26811315 5.27926052 -0.37202055 0.29067635 0.17407090 Cu 3.53947299 3.51983397 3.55676955 -0.27339875 0.00128556 -0.12452207 Cu 5.27601293 5.28791200 3.54275315 0.17822259 0.09757923 -0.16492424 Cu 5.32468756 3.51360917 5.32633383 -0.15143332 0.13756806 -0.06508122 Cu 3.56453908 5.28347342 5.31179135 -0.31896621 0.05449595 -0.08176542 Cu 7.05429924 3.56769703 3.56332750 0.49932732 -0.29794930 -0.28059818 Cu 8.82263270 5.33266629 3.55204936 0.26698713 -0.10902371 -0.11959063 Cu 8.83281769 3.49990823 5.28541241 0.15868986 0.06669646 0.11624260 Cu 7.04724373 5.29055029 5.28218147 0.57715698 0.15542770 0.37820697 Cu 0.02052741 7.06789103 3.51507899 -0.13910756 0.22971615 0.10340961 Cu 1.70423805 8.87180495 3.48656107 0.14542558 -0.10812755 -0.01949629 Cu 1.75334515 7.07217330 5.33631341 -0.25036726 0.25931232 -0.26780478 Cu 0.03019603 8.83844020 5.29788807 0.08337908 -0.14057886 0.04513009 Cu 3.53023671 7.04755265 3.54096881 -0.24170616 0.60556984 -0.16749620 Cu 5.27976236 8.80305223 3.51497701 0.11054383 0.30727107 0.09288550 Cu 5.28944195 7.03950818 5.28455645 0.16736822 0.70363497 0.20058832 Cu 3.50128062 8.82091756 5.27002142 -0.07005855 0.20345405 0.10029223 Cu 7.03758808 7.04289425 3.55786559 0.52578710 0.52224466 -0.24490601 Cu 8.82049767 8.83170192 3.55409386 -0.13985914 -0.20970754 -0.12786501 Cu 8.86757613 7.05442827 5.26847482 -0.08740702 0.22939365 0.25067244 Cu 7.08497460 8.84730033 5.29430346 0.07451639 -0.08790364 0.06567293 Cu 0.02849210 0.01144259 7.08990578 0.30641870 0.22717169 -0.04127040 Cu 1.75711144 1.78758129 7.03618562 -0.14221756 -0.28609619 0.48684791 Cu 1.76355765 0.02774079 8.86836249 0.07047292 0.22605429 -0.25782439 Cu 0.00205050 1.76281046 8.85802584 0.30038843 0.11258079 -0.32157073 Cu 3.51463145 0.02342706 7.08174600 -0.08098240 -0.12714324 0.08454260 Cu 5.27628055 1.79195085 7.03855657 0.24982131 -0.65002317 0.61695704 Cu 5.27819654 0.00126245 8.84391613 0.13291431 0.23332654 -0.22012252 Cu 3.53136406 1.73919988 8.80480168 -0.13568748 0.03038974 0.13158207 Cu 7.10481083 0.01240415 7.04666839 -0.10905025 0.13380344 0.26285234 Cu 8.84447196 1.74683077 7.06914173 -0.16370218 0.03511574 0.21139030 Cu 8.82170857 0.00231796 8.84471652 -0.34955424 0.33933164 -0.32779369 Cu 7.04800597 1.77231847 8.84891449 0.23809948 -0.25764827 -0.23018541 Cu 0.00723711 3.54182036 7.07233725 -0.11790182 -0.02799737 0.25135145 Cu 1.78057329 5.28348731 7.06371880 -0.37406055 0.18663198 0.40028531 Cu 1.76373968 3.55531152 8.81291280 -0.14751477 -0.23074734 0.12354605 Cu 0.03398703 5.31557903 8.84564839 0.07878835 -0.04211191 -0.14271305 Cu 3.54580445 3.56879321 7.10439498 -0.12387576 -0.40312674 0.15822062 Cu 5.27867821 5.31544136 7.06973086 0.41943464 0.01866375 0.54262745 Cu 5.29517184 3.48390408 8.83969292 0.11413675 0.12259600 0.19487378 Cu 3.56903445 5.27326712 8.84211209 -0.16803895 0.24634177 0.23371684 Cu 7.07975735 3.55868922 7.09377215 0.26060030 -0.21343143 0.33946966 Cu 8.80383383 5.27392770 7.06215314 0.15608075 0.20528977 0.07120694 Cu 8.84572467 3.55768223 8.83354101 -0.21516997 -0.05643669 -0.12279321 Cu 7.04435031 5.35382901 8.85093785 0.10644098 -0.11352587 0.01888669 Cu 0.03895804 7.03430600 7.05667249 -0.08696263 0.24092819 0.18971753 Cu 1.73241876 8.85164652 7.03914582 0.05620158 -0.11978426 0.30124824 Cu 1.74829875 7.07302149 8.80180343 0.13888764 0.17073360 -0.12557276 Cu 0.03319277 8.87043580 8.82533459 0.34704255 -0.38587980 -0.38339639 Cu 3.54492945 7.06162933 7.03613811 -0.22052590 0.47296372 0.60127275 Cu 5.31892921 8.79933655 7.05325757 -0.02782352 0.08256534 0.05895285 Cu 5.27727840 7.08410855 8.82944639 0.07204858 0.20686937 0.00881045 Cu 3.54233261 8.85779856 8.80305390 -0.16876987 -0.16438859 -0.22860432 Cu 7.11824066 7.09603218 7.09739010 -0.00280382 0.02410749 -0.09141529 Cu 8.84571450 8.82261037 7.06820604 -0.17592253 -0.17037737 -0.12509807 Cu 8.85386924 7.06865734 8.83011662 -0.18431345 -0.08526573 -0.18539415 Cu 7.06631296 8.85194906 8.80402128 -0.04267851 -0.26643302 -0.16342571