504 Lattice="15.358359370822573 0.0 0.0 0.0 10.860000059008598 0.0 0.0 0.0 71.67234373050533" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1750.5872140218585 stress="0.0006102671356138398 1.2088846840634416e-11 -1.8923759013058282e-06 1.2088846840634416e-11 -0.0007082525307670537 1.1643351531739019e-07 -1.8923759013058282e-06 1.1643351531739019e-07 2.889851773706075e-08" free_energy=-1750.5872140218585 pbc="T T F" Cu 0.00655246 0.00653860 17.99541421 -0.00000609 -0.00000033 0.00000039 Cu 2.56627893 0.00653844 17.99541384 -0.00000601 -0.00000196 -0.00000027 Cu 1.28641024 1.81653830 19.15966281 -0.00000911 -0.00000107 -0.00000013 Cu 3.84613634 1.81653800 19.15966221 -0.00000308 -0.00000080 0.00000024 Cu 2.56626004 0.00653755 20.49675588 -0.00000608 -0.00000145 0.00000068 Cu 5.12598660 0.00653719 20.49675555 -0.00000611 0.00000087 -0.00000106 Cu 3.84610775 1.81653675 21.75172290 -0.00000642 -0.00000067 0.00000023 Cu 6.40583420 1.81653668 21.75172262 -0.00000562 -0.00000057 0.00000037 Cu 5.12594892 0.00653572 23.04584549 -0.00000591 0.00000102 0.00000147 Cu 7.68567539 0.00653585 23.04584559 -0.00000579 -0.00000021 -0.00000029 Cu 6.40578645 1.81653500 24.31799035 -0.00000678 0.00000016 -0.00000009 Cu 8.96551273 1.81653510 24.31799047 -0.00000426 0.00000002 -0.00000013 Cu 7.68561822 0.00653420 25.60185982 -0.00000504 0.00000025 0.00000045 Cu 10.24534472 0.00653428 25.60186007 -0.00000510 0.00000084 -0.00000078 Cu 8.96544619 1.81653359 26.87962058 -0.00000468 0.00000031 0.00000050 Cu 11.52517269 1.81653371 26.87962069 -0.00000420 0.00000026 0.00000055 Cu 10.24526997 0.00653305 28.16060460 -0.00000377 0.00000160 0.00000055 Cu 12.80499655 0.00653319 28.16060468 -0.00000372 0.00000109 -0.00000013 Cu 11.52509068 1.81653291 29.43987527 -0.00000331 0.00000080 -0.00000054 Cu 14.08481723 1.81653298 29.43987523 -0.00000248 0.00000067 -0.00000042 Cu 12.80490871 0.00653296 30.72005267 -0.00000198 0.00000054 0.00000034 Cu 15.36463533 0.00653295 30.72005264 -0.00000213 0.00000078 0.00000002 Cu 14.08472498 1.81653325 31.99974730 -0.00000115 0.00000057 0.00000074 Cu 1.28609220 1.81653320 31.99974728 -0.00000112 0.00000067 0.00000077 Cu 15.36454018 0.00653371 33.27970474 -0.00000030 0.00000140 0.00000015 Cu 2.56590736 0.00653366 33.27970479 -0.00000026 0.00000130 -0.00000010 Cu 1.28599569 1.81653453 34.55950919 0.00000042 0.00000096 -0.00000043 Cu 3.84572222 1.81653447 34.55950927 0.00000069 0.00000099 -0.00000052 Cu 2.56581096 0.00653560 35.83942126 0.00000128 0.00000046 0.00000039 Cu 5.12553752 0.00653555 35.83942135 0.00000121 0.00000061 0.00000020 Cu 3.84562723 1.81653688 37.11922568 0.00000197 0.00000059 0.00000034 Cu 6.40535383 1.81653685 37.11922570 0.00000181 0.00000061 0.00000025 Cu 5.12544511 0.00653833 38.39918317 0.00000236 0.00000094 -0.00000050 Cu 7.68517174 0.00653834 38.39918314 0.00000231 0.00000084 -0.00000050 Cu 6.40526498 1.81654004 39.67887777 0.00000277 0.00000074 -0.00000023 Cu 8.96499164 1.81654006 39.67887773 0.00000274 0.00000075 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30.72005270 -0.00000206 0.00000143 -0.00000036 Cu 14.08472502 5.43653321 31.99974736 -0.00000129 0.00000094 -0.00000013 Cu 1.28609222 5.43653317 31.99974736 -0.00000110 0.00000098 -0.00000013 Cu 15.36454017 3.62653378 33.27970476 -0.00000024 0.00000059 0.00000042 Cu 2.56590736 3.62653371 33.27970482 -0.00000032 0.00000072 0.00000015 Cu 1.28599571 5.43653459 34.55950913 0.00000046 0.00000075 0.00000033 Cu 3.84572223 5.43653452 34.55950921 0.00000060 0.00000080 0.00000022 Cu 2.56581094 3.62653558 35.83942133 0.00000130 0.00000111 -0.00000004 Cu 5.12553749 3.62653553 35.83942140 0.00000130 0.00000110 -0.00000022 Cu 3.84562724 5.43653693 37.11922571 0.00000190 0.00000057 -0.00000013 Cu 6.40535382 5.43653689 37.11922574 0.00000188 0.00000063 -0.00000024 Cu 5.12544507 3.62653840 38.39918314 0.00000241 0.00000050 -0.00000009 Cu 7.68517170 3.62653839 38.39918311 0.00000237 0.00000056 -0.00000010 Cu 6.40526499 5.43654006 39.67887779 0.00000281 0.00000078 -0.00000020 Cu 8.96499164 5.43654008 39.67887775 0.00000269 0.00000074 -0.00000020 Cu 7.68508721 3.62654191 40.95905517 0.00000313 0.00000038 -0.00000006 Cu 10.24481388 3.62654196 40.95905520 0.00000304 0.00000030 0.00000005 Cu 8.96491226 5.43654390 42.23832566 0.00000343 0.00000003 0.00000029 Cu 11.52463888 5.43654397 42.23832586 0.00000333 0.00000001 0.00000022 Cu 10.24474012 3.62654591 43.51930963 0.00000360 0.00000031 -0.00000008 Cu 12.80446666 3.62654598 43.51931000 0.00000383 0.00000027 -0.00000011 Cu 11.52457151 5.43654798 44.79707048 0.00000409 -0.00000006 -0.00000051 Cu 14.08429803 5.43654802 44.79707097 0.00000405 -0.00000018 -0.00000082 Cu 12.80440602 3.62655003 46.08094016 0.00000450 -0.00000097 -0.00000014 Cu 15.36413249 3.62655003 46.08094053 0.00000446 -0.00000100 -0.00000026 Cu 14.08424519 5.43655182 47.35308518 0.00000489 -0.00000112 0.00000043 Cu 1.28561227 5.43655175 47.35308527 0.00000492 -0.00000091 0.00000021 Cu 15.36408738 3.62655339 48.64720831 0.00000500 -0.00000056 -0.00000054 Cu 2.56545442 3.62655329 48.64720795 0.00000572 -0.00000044 -0.00000031 Cu 1.28557603 5.43655461 49.90217557 0.00000572 -0.00000130 -0.00000110 Cu 3.84530256 5.43655450 49.90217483 0.00000573 -0.00000143 -0.00000085 Cu 2.56542612 3.62655567 51.23926867 0.00000637 -0.00000201 -0.00000030 Cu 5.12515274 3.62655554 51.23926769 0.00000575 -0.00000191 0.00000018 Cu 3.84528385 5.43655593 52.40351686 0.00000612 -0.00000163 0.00000025 Cu 6.40501031 5.43655583 52.40351606 0.00000618 -0.00000132 0.00000058 Cu 0.00655246 7.24653872 17.99541426 -0.00000608 -0.00000189 -0.00000029 Cu 2.56627893 7.24653829 17.99541389 -0.00000602 0.00000009 -0.00000082 Cu 1.28640990 9.05653831 19.15966278 -0.00000467 -0.00000067 -0.00000017 Cu 3.84613668 9.05653802 19.15966220 -0.00000753 -0.00000039 0.00000018 Cu 2.56626007 7.24653743 20.49675578 -0.00000615 0.00000053 0.00000190 Cu 5.12598661 7.24653739 20.49675543 -0.00000612 -0.00000119 0.00000034 Cu 3.84610792 9.05653682 21.75172289 -0.00000825 -0.00000107 0.00000015 Cu 6.40583409 9.05653675 21.75172263 -0.00000389 -0.00000104 0.00000027 Cu 5.12594897 7.24653586 23.04584559 -0.00000595 -0.00000019 0.00000011 Cu 7.68567545 7.24653581 23.04584569 -0.00000592 0.00000083 -0.00000162 Cu 6.40578640 9.05653499 24.31799032 -0.00000561 0.00000052 0.00000032 Cu 8.96551287 9.05653510 24.31799044 -0.00000559 0.00000046 0.00000028 Cu 7.68561829 7.24653418 25.60185974 -0.00000521 0.00000113 0.00000150 Cu 10.24534478 7.24653437 25.60185999 -0.00000515 0.00000039 0.00000031 Cu 8.96544630 9.05653366 26.87962064 -0.00000540 0.00000009 -0.00000019 Cu 11.52517270 9.05653379 26.87962075 -0.00000367 -0.00000008 -0.00000014 Cu 10.24527003 7.24653315 28.16060465 -0.00000381 0.00000090 -0.00000017 Cu 12.80499661 7.24653320 28.16060474 -0.00000386 0.00000117 -0.00000084 Cu 11.52509071 9.05653295 29.43987519 -0.00000302 0.00000083 0.00000034 Cu 14.08481732 9.05653299 29.43987515 -0.00000296 0.00000084 0.00000046 Cu 12.80490875 7.24653293 30.72005263 -0.00000210 0.00000118 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0.00000012 Cu 8.96499167 9.05654014 39.67887772 0.00000261 0.00000022 0.00000013 Cu 7.68508724 7.24654192 40.95905524 0.00000305 0.00000061 -0.00000061 Cu 10.24481388 7.24654197 40.95905527 0.00000307 0.00000053 -0.00000049 Cu 8.96491226 9.05654389 42.23832569 0.00000340 0.00000060 -0.00000019 Cu 11.52463888 9.05654394 42.23832590 0.00000336 0.00000058 -0.00000026 Cu 10.24474011 7.24654598 43.51930961 0.00000367 -0.00000021 0.00000037 Cu 12.80446667 7.24654604 43.51930999 0.00000375 -0.00000024 0.00000034 Cu 11.52457150 9.05654806 44.79707043 0.00000414 -0.00000059 0.00000015 Cu 14.08429802 9.05654810 44.79707092 0.00000403 -0.00000068 -0.00000020 Cu 12.80440603 7.24655000 46.08094019 0.00000436 -0.00000024 -0.00000051 Cu 15.36413247 7.24655000 46.08094056 0.00000462 -0.00000024 -0.00000063 Cu 14.08424517 9.05655183 47.35308524 0.00000491 -0.00000087 -0.00000029 Cu 1.28561224 9.05655177 47.35308533 0.00000498 -0.00000071 -0.00000059 Cu 15.36408735 7.24655348 48.64720828 0.00000523 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0.00653288 30.72005259 -0.00000204 0.00000062 0.00000039 Cu 5.12572910 0.00653277 30.72005270 -0.00000215 0.00000096 -0.00000016 Cu 3.84581877 1.81653311 31.99974734 -0.00000120 0.00000070 0.00000063 Cu 6.40554530 1.81653306 31.99974745 -0.00000112 0.00000081 0.00000051 Cu 5.12563392 0.00653358 33.27970490 -0.00000030 0.00000153 -0.00000010 Cu 7.68536048 0.00653359 33.27970500 -0.00000027 0.00000138 -0.00000041 Cu 6.40544880 1.81653444 34.55950936 0.00000042 0.00000105 -0.00000071 Cu 8.96517537 1.81653448 34.55950936 0.00000066 0.00000097 -0.00000067 Cu 7.68526412 0.00653556 35.83942139 0.00000124 0.00000050 0.00000015 Cu 10.24499073 0.00653559 35.83942132 0.00000115 0.00000058 0.00000021 Cu 8.96508046 1.81653688 37.11922567 0.00000189 0.00000058 0.00000024 Cu 11.52480707 1.81653693 37.11922562 0.00000172 0.00000054 0.00000039 Cu 10.24489837 0.00653837 38.39918311 0.00000227 0.00000091 -0.00000046 Cu 12.80462494 0.00653841 38.39918313 0.00000227 0.00000079 -0.00000032 Cu 11.52471826 1.81654011 39.67887778 0.00000267 0.00000069 -0.00000014 Cu 14.08444478 1.81654014 39.67887791 0.00000274 0.00000069 -0.00000015 Cu 12.80454045 0.00654199 40.95905537 0.00000300 0.00000023 0.00000035 Cu 15.36426692 0.00654198 40.95905552 0.00000314 0.00000031 0.00000038 Cu 14.08436537 1.81654398 42.23832615 0.00000350 0.00000006 -0.00000018 Cu 1.28573246 1.81654396 42.23832621 0.00000340 -0.00000001 -0.00000026 Cu 15.36419313 0.00654599 43.51931030 0.00000379 -0.00000005 -0.00000062 Cu 2.56556021 0.00654594 43.51931013 0.00000384 -0.00000006 -0.00000047 Cu 1.28566508 1.81654799 44.79707093 0.00000418 -0.00000029 0.00000022 Cu 3.84539158 1.81654790 44.79707052 0.00000421 -0.00000006 0.00000027 Cu 2.56549956 0.00654991 46.08094025 0.00000441 -0.00000034 0.00000002 Cu 5.12522608 0.00654982 46.08093965 0.00000483 -0.00000022 0.00000032 Cu 3.84533875 1.81655163 47.35308475 0.00000505 -0.00000072 -0.00000057 Cu 6.40506537 1.81655159 47.35308415 0.00000492 -0.00000092 -0.00000055 Cu 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