504 Lattice="15.358359813364487 0.0 0.0 0.0 10.860000371932987 0.0 0.0 0.0 71.67234579570093" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1755.4395497340508 stress="0.00019492974200664652 4.458128555978548e-12 -2.1117649992321336e-06 4.458128555978548e-12 0.002743519170115291 1.6032609626445343e-07 -2.1117649992321336e-06 1.6032609626445343e-07 -6.638546767502521e-10" free_energy=-1755.4395497340508 pbc="T T F" Cu 0.00664111 0.00653142 17.92587812 -0.00000785 -0.00000034 0.00000209 Cu 2.56636895 0.00653144 17.92587875 -0.00000839 -0.00000073 0.00000193 Cu 1.28649808 1.81653144 19.21902393 -0.00000859 -0.00000153 0.00000105 Cu 3.84622477 1.81653136 19.21902655 -0.00000740 -0.00000031 0.00000032 Cu 2.56634627 0.00653112 20.48869954 -0.00000781 -0.00000107 -0.00000041 Cu 5.12607283 0.00653105 20.48870329 -0.00000755 0.00000013 -0.00000180 Cu 3.84618718 1.81653074 21.75778330 -0.00000653 0.00000142 0.00000195 Cu 6.40591393 1.81653086 21.75778706 -0.00000803 -0.00000022 0.00000054 Cu 5.12602130 0.00653039 23.04076485 -0.00000670 0.00000156 0.00000136 Cu 7.68574808 0.00653048 23.04076759 -0.00000690 0.00000021 0.00000035 Cu 6.40584995 1.81653040 24.32013562 -0.00000705 -0.00000084 -0.00000328 Cu 8.96557672 1.81653027 24.32013676 -0.00000542 0.00000101 -0.00000365 Cu 7.68567314 0.00653029 25.60067565 -0.00000556 -0.00000131 -0.00000194 Cu 10.24540006 0.00653018 25.60067511 -0.00000555 0.00000034 -0.00000172 Cu 8.96549142 1.81653027 26.88030059 -0.00000354 0.00000192 0.00000257 Cu 11.52521846 1.81653040 26.88029879 -0.00000592 -0.00000013 0.00000321 Cu 10.24530558 0.00653049 28.16026462 -0.00000370 0.00000360 -0.00000095 Cu 12.80503237 0.00653061 28.16026231 -0.00000389 0.00000169 -0.00000011 Cu 11.52511637 1.81653143 29.44006159 -0.00000412 0.00000065 -0.00000434 Cu 14.08484282 1.81653130 29.44005953 -0.00000141 0.00000274 -0.00000355 Cu 12.80492447 0.00653251 30.71995374 -0.00000174 -0.00000177 0.00000193 Cu 15.36465092 0.00653238 30.71995248 -0.00000167 0.00000036 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5.43654551 39.67897767 0.00000281 -0.00000022 -0.00000007 Cu 7.68504303 3.62654739 40.95887126 0.00000561 -0.00000013 0.00000010 Cu 10.24477018 3.62654752 40.95887086 0.00000232 -0.00000231 0.00000023 Cu 8.96486453 5.43654943 42.23866845 0.00000339 -0.00000342 0.00000216 Cu 11.52459131 5.43654928 42.23866872 0.00000507 -0.00000103 0.00000201 Cu 10.24468977 3.62655075 43.51863295 0.00000324 -0.00000032 0.00000053 Cu 12.80441639 3.62655060 43.51863405 0.00000565 0.00000189 0.00000006 Cu 11.52451897 5.43655205 44.79825874 0.00000564 0.00000129 -0.00000205 Cu 14.08424574 5.43655218 44.79826051 0.00000377 -0.00000064 -0.00000277 Cu 12.80435255 3.62655329 46.07879879 0.00000585 -0.00000179 0.00000030 Cu 15.36407919 3.62655343 46.07880075 0.00000406 -0.00000385 -0.00000055 Cu 14.08419058 5.43655426 47.35816879 0.00000426 -0.00000218 0.00000231 Cu 1.28555711 5.43655417 47.35817027 0.00000616 -0.00000071 0.00000174 Cu 15.36403275 3.62655472 48.64114973 0.00000468 0.00000032 -0.00000097 Cu 2.56539929 3.62655461 48.64115016 0.00000619 0.00000217 -0.00000114 Cu 1.28552016 5.43655526 49.91023276 0.00000636 0.00000031 -0.00000321 Cu 3.84524680 5.43655534 49.91023182 0.00000482 -0.00000094 -0.00000280 Cu 2.56537287 3.62655559 51.17990710 0.00000620 -0.00000116 -0.00000083 Cu 5.12509966 3.62655568 51.17990490 0.00000505 -0.00000250 0.00000002 Cu 3.84523198 5.43655575 52.47305217 0.00000511 -0.00000061 0.00000014 Cu 6.40495871 5.43655573 52.47304929 0.00000568 -0.00000022 0.00000127 Cu 0.00664107 7.24653169 17.92587822 -0.00000719 -0.00000060 0.00000066 Cu 2.56636899 7.24653168 17.92587883 -0.00000905 -0.00000034 0.00000062 Cu 1.28649799 9.05653157 19.21902390 -0.00000722 0.00000036 0.00000156 Cu 3.84622486 9.05653151 19.21902656 -0.00000878 0.00000139 0.00000034 Cu 2.56634638 7.24653132 20.48869933 -0.00000946 -0.00000027 0.00000297 Cu 5.12607272 7.24653138 20.48870307 -0.00000590 -0.00000110 0.00000159 Cu 3.84618729 9.05653113 21.75778338 -0.00000819 -0.00000079 0.00000071 Cu 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1.81654531 39.67897762 0.00000149 0.00000092 -0.00000013 Cu 14.08440576 1.81654524 39.67897823 0.00000552 0.00000210 -0.00000045 Cu 12.80449685 0.00654737 40.95887118 0.00000415 -0.00000189 0.00000433 Cu 15.36422336 0.00654722 40.95887218 0.00000363 0.00000052 0.00000391 Cu 14.08431788 1.81654921 42.23867011 0.00000612 -0.00000188 -0.00000122 Cu 1.28568469 1.81654927 42.23867106 0.00000233 -0.00000272 -0.00000150 Cu 15.36414299 0.00655061 43.51863576 0.00000413 -0.00000007 -0.00000377 Cu 2.56550948 0.00655075 43.51863615 0.00000493 -0.00000231 -0.00000393 Cu 1.28561239 1.81655201 44.79826147 0.00000293 -0.00000009 0.00000119 Cu 3.84533855 1.81655198 44.79826093 0.00000671 0.00000047 0.00000138 Cu 2.56544569 0.00655313 46.07880104 0.00000539 -0.00000109 0.00000125 Cu 5.12517224 0.00655301 46.07879949 0.00000480 0.00000088 0.00000190 Cu 3.84528350 1.81655407 47.35816982 0.00000696 -0.00000101 -0.00000279 Cu 6.40501035 1.81655409 47.35816756 0.00000367 -0.00000139 -0.00000182 Cu 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