612 Lattice="15.359999873680586 0.0 0.0 7.679999936840293 13.302150092733156 0.0 0.0 0.0 71.06786181949285" Properties=species:S:1:pos:R:3:forces:R:3 energy=-2138.7549141312957 stress="0.0007214311382619684 -3.5483672164364936e-07 -5.795200052132231e-07 -3.5483672164364936e-07 0.0007240141523790775 -2.109089024863137e-06 -5.795200052132231e-07 -2.109089024863137e-06 5.833647241345625e-09" free_energy=-2138.7549141312957 pbc="T T F" Cu 0.00397140 0.00402516 17.82317749 -0.00000166 -0.00000698 0.00000011 Cu 3.84397140 2.22105010 17.82317752 -0.00000203 -0.00000629 0.00000035 Cu 2.56397145 0.00402512 17.82317754 -0.00000247 -0.00000661 0.00000013 Cu 1.28397136 2.22105020 17.82317748 -0.00000143 -0.00000726 0.00000053 Cu 10.24396879 11.82814976 19.85547896 -0.00000113 -0.00000695 -0.00000034 Cu 6.40396893 0.74302459 19.85547908 -0.00000230 -0.00000588 -0.00000140 Cu 12.80396886 11.82814975 19.85547905 -0.00000209 -0.00000681 -0.00000085 Cu 3.84396883 0.74302468 19.85547899 -0.00000102 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8.13298909 28.22213075 -0.00000141 -0.00000382 -0.00000023 Cu 7.68393597 5.91596403 28.22213065 -0.00000171 -0.00000339 0.00000040 Cu 6.40393582 8.13298916 28.22213061 -0.00000005 -0.00000456 0.00000098 Cu 7.68392343 4.43790176 30.31236279 -0.00000052 -0.00000195 -0.00000005 Cu 11.52392331 6.65492686 30.31236294 0.00000026 -0.00000284 -0.00000086 Cu 10.24392342 4.43790183 30.31236278 -0.00000074 -0.00000277 0.00000042 Cu 8.96392351 6.65492693 30.31236283 -0.00000151 -0.00000362 -0.00000006 Cu 10.24391002 2.95983600 32.40259403 -0.00000019 -0.00000138 -0.00000035 Cu 14.08391009 5.17686108 32.40259396 -0.00000132 -0.00000196 0.00000084 Cu 12.80391004 2.95983600 32.40259401 -0.00000060 -0.00000142 0.00000006 Cu 11.52390996 5.17686107 32.40259402 0.00000029 -0.00000188 0.00000014 Cu 12.80389625 1.48176836 34.49282532 -0.00000082 -0.00000021 -0.00000021 Cu 16.64389623 3.69879337 34.49282534 -0.00000099 -0.00000009 -0.00000066 Cu 15.36389605 1.48176839 34.49282533 0.00000098 -0.00000047 -0.00000038 Cu 14.08389615 3.69879322 34.49282531 0.00000010 0.00000144 -0.00000012 Cu 0.00388238 0.00370075 36.58305668 0.00000087 0.00000076 -0.00000092 Cu 3.84388241 2.22072573 36.58305660 0.00000029 0.00000121 -0.00000075 Cu 2.56388243 0.00370066 36.58305664 0.00000017 0.00000176 -0.00000074 Cu 1.28388237 2.22072572 36.58305655 0.00000090 0.00000127 0.00000001 Cu 10.24386897 11.82778496 38.67328765 0.00000072 0.00000287 0.00000131 Cu 6.40386904 0.74265982 38.67328760 0.00000039 0.00000358 0.00000144 Cu 12.80386901 11.82778506 38.67328774 0.00000016 0.00000191 0.00000031 Cu 3.84386901 0.74265989 38.67328763 0.00000093 0.00000272 0.00000104 Cu 12.80385647 10.34972281 40.76351991 0.00000129 0.00000324 -0.00000031 Cu 16.64385650 12.56674775 40.76351995 0.00000068 0.00000389 -0.00000078 Cu 15.36385651 10.34972276 40.76351989 0.00000079 0.00000371 -0.00000001 Cu 14.08385642 12.56674772 40.76351992 0.00000173 0.00000423 -0.00000073 Cu 15.36384538 8.87166564 42.85374346 0.00000113 0.00000494 -0.00000032 Cu 19.20384531 11.08869064 42.85374346 0.00000144 0.00000516 0.00000013 Cu 17.92384537 8.87166570 42.85374344 0.00000105 0.00000430 -0.00000003 Cu 16.64384538 11.08869063 42.85374343 0.00000105 0.00000524 0.00000019 Cu 17.92383596 7.39361502 44.94404688 0.00000132 0.00000575 -0.00000024 Cu 6.40383603 9.61064005 44.94404689 0.00000142 0.00000557 0.00000037 Cu 5.12383606 7.39361506 44.94404683 0.00000126 0.00000530 0.00000037 Cu 19.20383589 9.61064002 44.94404692 0.00000191 0.00000590 0.00000014 Cu 5.12382874 5.91557192 47.03360261 0.00000116 0.00000685 0.00000018 Cu 8.96382871 8.13259699 47.03360276 0.00000112 0.00000633 -0.00000084 Cu 7.68382865 5.91557199 47.03360264 0.00000194 0.00000601 -0.00000004 Cu 6.40382867 8.13259700 47.03360276 0.00000173 0.00000622 -0.00000073 Cu 7.68382348 4.43753719 49.13017166 0.00000290 0.00000555 -0.00000079 Cu 11.52382349 6.65456212 49.13017152 0.00000246 0.00000656 0.00000073 Cu 10.24382359 4.43753710 49.13017158 0.00000144 0.00000651 0.00000022 Cu 8.96382354 6.65456206 49.13017157 0.00000208 0.00000716 0.00000040 Cu 10.24382104 2.95951156 51.16247297 0.00000225 0.00000724 0.00000037 Cu 14.08382108 5.17653659 51.16247293 0.00000166 0.00000709 -0.00000001 Cu 12.80382106 2.95951165 51.16247304 0.00000193 0.00000633 -0.00000041 Cu 11.52382106 5.17653659 51.16247297 0.00000200 0.00000699 -0.00000022 Cu 2.56397136 4.43807522 17.82317747 -0.00000163 -0.00000734 0.00000080 Cu 6.40397143 6.65510021 17.82317748 -0.00000264 -0.00000693 0.00000022 Cu 5.12397142 4.43807515 17.82317755 -0.00000240 -0.00000665 -0.00000017 Cu 3.84397129 6.65510018 17.82317761 -0.00000093 -0.00000673 -0.00000082 Cu 5.12396893 2.96004970 19.85547899 -0.00000224 -0.00000694 -0.00000081 Cu 8.96396886 5.17707479 19.85547889 -0.00000163 -0.00000766 -0.00000006 Cu 7.68396885 2.96004971 19.85547888 -0.00000145 -0.00000700 0.00000029 Cu 6.40396885 5.17707462 19.85547880 -0.00000147 -0.00000587 0.00000092 Cu 7.68396379 1.48201485 21.95204783 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10.24393588 10.35001413 28.22213066 -0.00000112 -0.00000414 0.00000096 Cu 8.96393594 12.56703912 28.22213058 -0.00000157 -0.00000391 0.00000153 Cu 10.24392334 8.87195180 30.31236288 0.00000003 -0.00000202 -0.00000030 Cu 14.08392337 11.08897684 30.31236283 -0.00000048 -0.00000231 0.00000018 Cu 12.80392344 8.87195188 30.31236288 -0.00000122 -0.00000289 -0.00000003 Cu 11.52392342 11.08897687 30.31236296 -0.00000091 -0.00000267 -0.00000115 Cu 12.80391008 7.39388598 32.40259406 -0.00000106 -0.00000075 0.00000000 Cu 16.64391000 9.61091114 32.40259404 -0.00000040 -0.00000230 -0.00000007 Cu 15.36390987 7.39388595 32.40259406 0.00000094 -0.00000042 -0.00000015 Cu 14.08391006 9.61091102 32.40259401 -0.00000095 -0.00000098 0.00000046 Cu 15.36389614 5.91581846 34.49282522 0.00000016 -0.00000088 0.00000094 Cu 19.20389617 8.13284345 34.49282530 -0.00000049 -0.00000049 -0.00000006 Cu 17.92389618 5.91581826 34.49282531 -0.00000051 0.00000129 -0.00000035 Cu 16.64389610 8.13284347 34.49282535 0.00000048 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0.00000500 0.00000015 Cu 12.80384548 0.00356554 42.85374342 0.00000020 0.00000525 0.00000038 Cu 11.52384532 2.22059061 42.85374345 0.00000198 0.00000451 -0.00000034 Cu 20.48383594 11.82766508 44.94404692 0.00000130 0.00000537 0.00000032 Cu 1.28383613 0.74253997 44.94404685 0.00000094 0.00000560 0.00000015 Cu 7.68383599 11.82766501 44.94404701 0.00000175 0.00000609 -0.00000081 Cu 14.08383595 0.74253998 44.94404684 0.00000170 0.00000546 0.00000070 Cu 7.68382861 10.34962213 47.03360283 0.00000226 0.00000508 -0.00000098 Cu 11.52382869 12.56664706 47.03360274 0.00000120 0.00000602 -0.00000074 Cu 10.24382863 10.34962196 47.03360276 0.00000186 0.00000686 -0.00000070 Cu 8.96382860 12.56664699 47.03360273 0.00000239 0.00000667 -0.00000028 Cu 10.24382357 8.87158717 49.13017154 0.00000167 0.00000625 0.00000105 Cu 14.08382350 11.08861224 49.13017156 0.00000218 0.00000580 0.00000105 Cu 12.80382354 8.87158712 49.13017157 0.00000183 0.00000684 0.00000049 Cu 11.52382354 11.08861220 49.13017164 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21.95204793 -0.00000183 -0.00000668 0.00000028 Cu 12.80396374 5.91606476 21.95204780 -0.00000175 -0.00000567 0.00000126 Cu 11.52396369 8.13308985 21.95204790 -0.00000104 -0.00000644 0.00000035 Cu 12.80395639 4.43802177 24.04160366 -0.00000145 -0.00000569 0.00000053 Cu 16.64395640 6.65504678 24.04160374 -0.00000201 -0.00000565 -0.00000015 Cu 15.36395641 4.43802171 24.04160372 -0.00000202 -0.00000512 -0.00000002 Cu 14.08395635 6.65504681 24.04160376 -0.00000128 -0.00000599 -0.00000014 Cu 15.36394688 2.95997120 26.13190719 -0.00000043 -0.00000554 -0.00000012 Cu 3.84394702 5.17699614 26.13190715 -0.00000088 -0.00000462 -0.00000005 Cu 2.56394712 2.95997108 26.13190717 -0.00000188 -0.00000425 -0.00000006 Cu 16.64394691 5.17699619 26.13190721 -0.00000083 -0.00000529 -0.00000024 Cu 2.56393588 1.48191396 28.22213061 -0.00000043 -0.00000300 0.00000112 Cu 6.40393593 3.69893897 28.22213067 -0.00000111 -0.00000291 0.00000007 Cu 5.12393600 1.48191412 28.22213065 -0.00000182 -0.00000467 0.00000059 Cu 3.84393593 3.69893916 28.22213065 -0.00000105 -0.00000488 0.00000044 Cu 5.12392343 0.00385182 30.31236298 -0.00000043 -0.00000295 -0.00000179 Cu 8.96392346 2.22087681 30.31236278 -0.00000099 -0.00000268 0.00000021 Cu 7.68392345 0.00385179 30.31236290 -0.00000075 -0.00000258 -0.00000087 Cu 6.40392339 2.22087686 30.31236274 -0.00000008 -0.00000314 0.00000043 Cu 15.36391001 11.82793608 32.40259400 -0.00000043 -0.00000146 0.00000019 Cu 11.52391001 0.74281095 32.40259399 -0.00000013 -0.00000102 0.00000021 Cu 17.92391004 11.82793602 32.40259397 -0.00000093 -0.00000086 0.00000062 Cu 8.96391004 0.74281100 32.40259401 -0.00000023 -0.00000146 -0.00000018 Cu 17.92389609 10.34986835 34.49282533 0.00000055 0.00000067 -0.00000019 Cu 21.76389610 12.56689344 34.49282531 -0.00000007 -0.00000015 0.00000007 Cu 20.48389614 10.34986835 34.49282536 -0.00000030 0.00000073 -0.00000052 Cu 19.20389611 12.56689349 34.49282527 0.00000016 -0.00000065 0.00000046 Cu 5.12388239 8.87180081 36.58305657 0.00000038 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