504 Lattice="15.337146440498554 0.0 0.0 0.0 10.845000252127647 0.0 0.0 0.0 71.57335005565992" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1753.5261783163432 stress="0.0020592112469963735 9.978867138525268e-12 -2.096872504408166e-06 9.978867138525268e-12 0.0023207130170001555 1.3896962401127678e-07 -2.096872504408166e-06 1.3896962401127678e-07 -1.1866815707743468e-09" free_energy=-1753.5261783163432 pbc="T T F" Cu 0.00665426 0.00653017 17.96538028 -0.00000852 0.00000018 0.00000181 Cu 2.56284658 0.00653017 17.96538219 -0.00000846 0.00000054 0.00000171 Cu 1.28474301 1.81403027 19.18251311 -0.00000728 0.00000053 0.00000183 Cu 3.84093431 1.81403038 19.18251745 -0.00000922 -0.00000070 0.00000002 Cu 2.56282159 0.00653043 20.46088678 -0.00000749 0.00000081 -0.00000022 Cu 5.11901269 0.00653047 20.46089191 -0.00000809 0.00000061 -0.00000007 Cu 3.84089432 1.81403082 21.72829400 -0.00000728 -0.00000010 0.00000071 Cu 6.39708545 1.81403083 21.72829886 -0.00000768 0.00000003 -0.00000169 Cu 5.11895962 0.00653114 23.00982226 -0.00000695 0.00000089 -0.00000104 Cu 7.67515075 0.00653116 23.00982530 -0.00000623 0.00000039 -0.00000249 Cu 6.39701922 1.81403173 24.28662959 -0.00000633 0.00000030 -0.00000040 Cu 8.95321041 1.81403169 24.28663013 -0.00000561 0.00000077 -0.00000061 Cu 7.67507300 0.00653233 25.56530474 -0.00000603 0.00000048 -0.00000104 Cu 10.23126421 0.00653223 25.56530278 -0.00000518 0.00000151 0.00000063 Cu 8.95312188 1.81403315 26.84316852 -0.00000293 0.00000034 -0.00000255 Cu 11.50931325 1.81403319 26.84316494 -0.00000486 -0.00000056 -0.00000164 Cu 10.23116688 0.00653405 28.12135703 -0.00000276 -0.00000018 -0.00000186 Cu 12.78735812 0.00653397 28.12135285 -0.00000382 0.00000060 -0.00000010 Cu 11.50920872 1.81403511 29.39941113 -0.00000238 0.00000005 0.00000146 Cu 14.06539981 1.81403513 29.39940762 -0.00000299 -0.00000038 0.00000271 Cu 12.78724815 0.00653602 30.67752077 -0.00000139 0.00000303 0.00000107 Cu 15.34343912 0.00653615 30.67751891 -0.00000191 0.00000120 0.00000104 Cu 14.06528619 1.81403763 31.95560858 -0.00000184 -0.00000164 -0.00000040 Cu 1.28433046 1.81403751 31.95560857 0.00000028 0.00000070 0.00000052 Cu 15.34332344 0.00653884 33.23370658 -0.00000025 -0.00000030 0.00000117 Cu 2.56236776 0.00653885 33.23370832 0.00000077 0.00000003 0.00000118 Cu 1.28421436 1.81404022 34.51180159 0.00000252 0.00000039 0.00000100 Cu 3.84040542 1.81404033 34.51180437 -0.00000045 -0.00000078 -0.00000011 Cu 2.56225285 0.00654155 35.78989952 0.00000276 0.00000079 -0.00000015 Cu 5.11844389 0.00654166 35.78990226 0.00000158 -0.00000058 -0.00000038 Cu 3.84029311 1.81404306 37.06799528 0.00000178 -0.00000070 0.00000005 Cu 6.39648410 1.81404296 37.06799724 0.00000313 0.00000070 -0.00000078 Cu 5.11833560 0.00654430 38.34609481 0.00000215 -0.00000033 -0.00000056 Cu 7.67452670 0.00654424 38.34609536 0.00000338 0.00000023 -0.00000009 Cu 6.39638087 1.81404559 39.62418422 0.00000411 -0.00000080 -0.00000067 Cu 8.95257218 1.81404555 39.62418352 0.00000326 -0.00000050 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0.00000047 -0.00000040 Cu 1.28374748 1.81405087 49.84081444 0.00000636 -0.00000001 -0.00000033 Cu 3.83993866 1.81405098 49.84081614 0.00000386 -0.00000129 -0.00000039 Cu 2.56183231 0.00655095 51.11918719 0.00000578 0.00000071 -0.00000033 Cu 5.11802348 0.00655103 51.11918828 0.00000481 -0.00000002 -0.00000010 Cu 3.83992333 1.81405117 52.33632061 0.00000496 -0.00000072 -0.00000051 Cu 6.39611484 1.81405117 52.33632075 0.00000542 -0.00000049 -0.00000025 Cu 0.00665424 3.62153019 17.96538028 -0.00000801 0.00000084 0.00000177 Cu 2.56284661 3.62153026 17.96538224 -0.00000888 0.00000027 0.00000114 Cu 1.28474315 5.42903046 19.18251310 -0.00000918 -0.00000087 0.00000191 Cu 3.84093421 5.42903041 19.18251746 -0.00000777 0.00000033 -0.00000007 Cu 2.56282175 3.62153054 20.46088669 -0.00000967 0.00000009 0.00000106 Cu 5.11901257 3.62153051 20.46089190 -0.00000643 0.00000110 0.00000000 Cu 3.84089426 5.42903083 21.72829401 -0.00000650 0.00000092 0.00000059 Cu 6.39708543 5.42903097 21.72829885 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3.62153626 30.67751889 -0.00000125 0.00000104 0.00000126 Cu 14.06528608 5.42903761 31.95560848 -0.00000030 0.00000001 0.00000118 Cu 1.28433058 5.42903771 31.95560854 -0.00000161 -0.00000087 0.00000103 Cu 15.34332332 3.62153876 33.23370658 0.00000146 0.00000224 0.00000104 Cu 2.56236786 3.62153902 33.23370838 -0.00000076 -0.00000093 0.00000013 Cu 1.28421451 5.42904041 34.51180161 0.00000016 -0.00000112 0.00000085 Cu 3.84040524 5.42904028 34.51180434 0.00000213 0.00000130 0.00000039 Cu 2.56225302 3.62154173 35.78989944 0.00000019 -0.00000065 0.00000097 Cu 5.11844378 3.62154165 35.78990219 0.00000316 0.00000088 0.00000063 Cu 3.84029298 5.42904310 37.06799534 0.00000363 -0.00000013 -0.00000075 Cu 6.39648423 5.42904316 37.06799731 0.00000111 -0.00000082 -0.00000177 Cu 5.11833548 3.62154437 38.34609489 0.00000387 -0.00000013 -0.00000180 Cu 7.67452672 3.62154445 38.34609542 0.00000309 -0.00000135 -0.00000096 Cu 6.39638093 5.42904564 39.62418414 0.00000318 -0.00000013 0.00000053 Cu 8.95257214 5.42904560 39.62418346 0.00000379 0.00000022 -0.00000049 Cu 7.67442968 3.62154671 40.90229543 0.00000371 -0.00000013 0.00000004 Cu 10.23062093 3.62154670 40.90229370 0.00000406 -0.00000034 0.00000066 Cu 8.95248223 5.42904779 42.18035100 0.00000498 -0.00000083 -0.00000036 Cu 11.50867346 5.42904775 42.18034897 0.00000506 -0.00000057 0.00000025 Cu 10.23053912 3.62154863 43.45854004 0.00000419 -0.00000123 -0.00000061 Cu 12.78673023 3.62154858 43.45853844 0.00000499 -0.00000071 -0.00000019 Cu 11.50860043 5.42904929 44.73640321 0.00000527 0.00000039 0.00000071 Cu 14.06479159 5.42904928 44.73640253 0.00000436 0.00000046 0.00000072 Cu 12.78666644 3.62154993 46.01507703 0.00000578 -0.00000100 0.00000075 Cu 0.00571109 3.62154994 46.01507748 0.00000491 -0.00000098 0.00000039 Cu 14.06473754 5.42905036 47.29188260 0.00000525 0.00000038 -0.00000004 Cu 1.28378210 5.42905042 47.29188395 0.00000516 -0.00000046 -0.00000025 Cu 15.34281313 3.62155074 48.57340870 0.00000516 -0.00000071 0.00000015 Cu 2.56185768 3.62155074 48.57341055 0.00000509 -0.00000049 -0.00000015 Cu 1.28374757 5.42905100 49.84081444 0.00000490 -0.00000034 0.00000021 Cu 3.83993852 5.42905108 49.84081614 0.00000606 -0.00000141 0.00000016 Cu 2.56183235 3.62155109 51.11918720 0.00000517 -0.00000015 -0.00000055 Cu 5.11802344 3.62155099 51.11918830 0.00000543 0.00000141 -0.00000050 Cu 3.83992330 5.42905119 52.33632066 0.00000541 -0.00000051 -0.00000073 Cu 6.39611489 5.42905120 52.33632080 0.00000478 -0.00000041 -0.00000089 Cu 0.00665428 7.23653034 17.96538030 -0.00000853 0.00000031 0.00000158 Cu 2.56284658 7.23653036 17.96538229 -0.00000838 0.00000054 0.00000068 Cu 1.28474308 9.04403046 19.18251313 -0.00000825 0.00000054 0.00000169 Cu 3.84093426 9.04403053 19.18251744 -0.00000854 0.00000017 0.00000032 Cu 2.56282159 7.23653057 20.46088667 -0.00000743 0.00000122 0.00000144 Cu 5.11901268 7.23653064 20.46089192 -0.00000820 0.00000067 -0.00000017 Cu 3.84089431 9.04403106 21.72829403 -0.00000711 -0.00000070 0.00000039 Cu 6.39708545 9.04403097 21.72829886 -0.00000782 0.00000056 -0.00000152 Cu 5.11895967 7.23653134 23.00982225 -0.00000801 0.00000041 -0.00000098 Cu 7.67515071 7.23653135 23.00982515 -0.00000601 0.00000013 -0.00000020 Cu 6.39701915 9.04403189 24.28662963 -0.00000543 0.00000055 -0.00000103 Cu 8.95321043 9.04403194 24.28663023 -0.00000588 -0.00000071 -0.00000202 Cu 7.67507291 7.23653254 25.56530486 -0.00000484 -0.00000010 -0.00000266 Cu 10.23126422 7.23653237 25.56530295 -0.00000532 0.00000176 -0.00000169 Cu 8.95312193 9.04403329 26.84316840 -0.00000362 0.00000072 -0.00000058 Cu 11.50931327 9.04403327 26.84316479 -0.00000501 0.00000053 0.00000063 Cu 10.23116693 7.23653410 28.12135697 -0.00000348 0.00000153 -0.00000062 Cu 12.78735810 7.23653414 28.12135282 -0.00000341 0.00000061 0.00000044 Cu 11.50920876 9.04403532 29.39941129 -0.00000314 -0.00000056 -0.00000078 Cu 14.06539974 9.04403531 29.39940776 -0.00000202 -0.00000053 0.00000071 Cu 12.78724813 7.23653632 30.67752078 -0.00000115 0.00000112 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30.67752076 -0.00000192 0.00000073 -0.00000021 Cu 5.11867437 0.00653626 30.67752440 -0.00000025 0.00000051 -0.00000023 Cu 3.84052139 1.81403751 31.95561161 -0.00000074 0.00000113 -0.00000031 Cu 6.39671247 1.81403757 31.95561464 -0.00000066 0.00000039 -0.00000184 Cu 5.11855876 0.00653895 33.23371162 0.00000014 -0.00000110 -0.00000071 Cu 7.67474996 0.00653886 33.23371303 0.00000020 0.00000006 -0.00000032 Cu 6.39659629 1.81404026 34.51180679 0.00000274 0.00000031 -0.00000027 Cu 8.95278779 1.81404025 34.51180654 -0.00000043 -0.00000005 -0.00000074 Cu 7.67463508 0.00654159 35.78990334 0.00000169 0.00000016 -0.00000146 Cu 10.23082639 0.00654162 35.78990157 0.00000179 -0.00000065 -0.00000045 Cu 8.95267548 1.81404299 37.06799665 0.00000151 -0.00000016 0.00000022 Cu 11.50886662 1.81404299 37.06799423 0.00000345 -0.00000046 0.00000024 Cu 10.23071803 0.00654422 38.34609364 0.00000294 0.00000014 0.00000032 Cu 12.78690920 0.00654414 38.34609134 0.00000308 0.00000119 0.00000064 Cu 11.50876342 1.81404557 39.62418126 0.00000350 -0.00000105 -0.00000020 Cu 14.06495446 1.81404559 39.62417976 0.00000388 -0.00000138 0.00000069 Cu 12.78681216 0.00654664 40.90229184 0.00000336 -0.00000090 -0.00000002 Cu 0.00585667 0.00654659 40.90229165 0.00000376 -0.00000003 -0.00000021 Cu 14.06486454 1.81404758 42.18034797 0.00000512 0.00000058 0.00000021 Cu 1.28390911 1.81404763 42.18034896 0.00000385 0.00000016 -0.00000009 Cu 15.34292119 0.00654851 43.45853851 0.00000556 -0.00000082 0.00000077 Cu 2.56196570 0.00654853 43.45854030 0.00000497 -0.00000090 -0.00000014 Cu 1.28383608 1.81404928 44.73640375 0.00000469 -0.00000078 0.00000011 Cu 3.84002698 1.81404938 44.73640559 0.00000502 -0.00000188 0.00000011 Cu 2.56190197 0.00654970 46.01507928 0.00000575 0.00000108 -0.00000019 Cu 5.11809300 0.00654974 46.01508060 0.00000509 0.00000097 -0.00000003 Cu 3.83997310 1.81405043 47.29188573 0.00000460 -0.00000190 -0.00000079 Cu 6.39616403 1.81405041 47.29188609 0.00000637 -0.00000144 -0.00000044 Cu 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7.23655005 46.01507839 0.00000501 -0.00000127 0.00000044 Cu 8.95235524 9.04405052 47.29188471 0.00000571 -0.00000063 0.00000032 Cu 11.50854648 9.04405040 47.29188302 0.00000463 0.00000085 -0.00000037 Cu 10.23043095 7.23655086 48.57340923 0.00000491 -0.00000111 0.00000034 Cu 12.78662204 7.23655087 48.57340807 0.00000547 -0.00000150 0.00000041 Cu 11.50851192 9.04405101 49.84081309 0.00000485 0.00000058 0.00000164 Cu 14.06470293 9.04405099 49.84081293 0.00000581 0.00000044 0.00000090 Cu 12.78659676 7.23655121 51.11918454 0.00000485 -0.00000076 0.00000058 Cu 0.00564128 7.23655118 51.11918536 0.00000551 -0.00000040 0.00000003 Cu 14.06468767 9.04405129 52.33631748 0.00000547 0.00000006 0.00000017 Cu 1.28373206 9.04405131 52.33631897 0.00000513 -0.00000037 0.00000003