864 Lattice="15.33000008408532 0.0 0.0 15.33000008408532 18.775338981416123 0.0 0.0 0.0 70.80623740178918" Properties=species:S:1:pos:R:3:forces:R:3 energy=-3009.3339017203093 stress="0.0009837706978876582 -1.6125645965184722e-07 -3.8229044388698287e-07 -1.6125645965184722e-07 0.000620982617056165 2.058618308368659e-06 -3.8229044388698287e-07 2.058618308368659e-06 3.303744479944171e-07" free_energy=-3009.3339017203093 pbc="T T F" Cu 0.00129117 0.00905379 17.80948784 0.00000005 0.00000665 -0.00000117 Cu 3.83379116 2.06778250 18.49459886 -0.00000103 0.00000811 0.00000141 Cu 2.55629137 0.00905378 17.80948773 -0.00000192 0.00000666 0.00000016 Cu 6.38879126 2.06778250 18.49459892 -0.00000174 0.00000807 0.00000128 Cu 17.88629085 16.70107150 19.17878572 -0.00000133 0.00000625 0.00000128 Cu 6.38879042 0.00864967 19.94469907 -0.00000099 0.00000605 0.00000361 Cu 20.44129087 16.70107152 19.17878570 -0.00000122 0.00000585 0.00000127 Cu 8.94379044 0.00864961 19.94469948 -0.00000113 0.00000673 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19.16375255 14.60444928 36.14444356 0.00000017 -0.00000065 0.00000001 Cu 17.88625482 12.51829857 35.40720177 0.00000009 -0.00000024 -0.00000000 Cu 21.71875256 14.60444928 36.14444359 0.00000023 -0.00000067 -0.00000002 Cu 17.88625033 10.43217481 36.88153332 0.00000028 -0.00000113 -0.00000017 Cu 21.71874816 12.51836552 37.62002256 0.00000034 -0.00000148 -0.00000026 Cu 20.44125036 10.43217480 36.88153334 0.00000025 -0.00000110 -0.00000019 Cu 24.27374818 12.51836553 37.62002258 0.00000035 -0.00000151 -0.00000026 Cu 20.44124598 8.34603714 38.35720508 0.00000045 -0.00000193 -0.00000043 Cu 8.94374381 10.43223654 39.09387472 0.00000049 -0.00000233 -0.00000039 Cu 7.66624591 8.34603714 38.35720507 0.00000040 -0.00000193 -0.00000037 Cu 11.49874382 10.43223655 39.09387471 0.00000049 -0.00000235 -0.00000036 Cu 7.66624174 6.25999112 39.83314674 0.00000055 -0.00000280 -0.00000039 Cu 11.49873976 8.34605429 40.56996878 0.00000061 -0.00000310 -0.00000053 Cu 10.22124174 6.25999112 39.83314671 0.00000057 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16.69042002 30.24298352 -0.00000046 0.00000280 0.00000042 Cu 12.77627234 14.60435686 29.50616146 -0.00000048 0.00000309 0.00000045 Cu 16.60877027 16.69041999 30.24298349 -0.00000041 0.00000285 0.00000035 Cu 12.77626819 12.51817461 30.98225551 -0.00000038 0.00000230 0.00000025 Cu 16.60876600 14.60437399 31.71892513 -0.00000030 0.00000194 0.00000051 Cu 15.33126820 12.51817460 30.98225550 -0.00000039 0.00000229 0.00000034 Cu 19.16376602 14.60437397 31.71892515 -0.00000029 0.00000192 0.00000046 Cu 15.33126385 10.43204562 32.45610765 -0.00000024 0.00000147 0.00000026 Cu 19.16376162 12.51823631 33.19459688 -0.00000013 0.00000114 0.00000015 Cu 17.88626388 10.43204560 32.45610769 -0.00000025 0.00000148 0.00000016 Cu 21.71876166 12.51823631 33.19459691 -0.00000020 0.00000113 0.00000012 Cu 17.88625939 8.34596184 33.93168668 -0.00000010 0.00000064 0.00000004 Cu 21.71875715 10.43211254 34.66892844 -0.00000002 0.00000023 0.00000007 Cu 20.44125941 8.34596183 33.93168667 -0.00000010 0.00000064 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22.99623121 12.51860428 44.26183272 0.00000093 -0.00000526 -0.00000064 Cu 26.82872982 14.60437744 44.99532132 0.00000087 -0.00000501 -0.00000089 Cu 22.99622846 10.43221669 45.72591622 0.00000078 -0.00000563 -0.00000152 Cu 11.49872723 12.51900042 46.47871478 0.00000098 -0.00000596 -0.00000083 Cu 10.22122834 10.43221666 45.72591622 0.00000146 -0.00000552 -0.00000120 Cu 14.05372726 12.51900036 46.47871479 0.00000103 -0.00000536 -0.00000078 Cu 10.22122605 8.34519869 47.20760298 0.00000157 -0.00000605 -0.00000119 Cu 14.05372512 10.43316433 47.93117637 0.00000183 -0.00000604 -0.00000061 Cu 12.77622614 8.34519867 47.20760293 0.00000054 -0.00000607 -0.00000059 Cu 16.60872523 10.43316434 47.93117631 0.00000064 -0.00000610 -0.00000021 Cu 12.77622429 6.26062493 48.70771508 0.00000119 -0.00000548 -0.00000129 Cu 16.60872366 8.34526829 49.42145141 0.00000074 -0.00000635 -0.00000087 Cu 15.33122430 6.26062489 48.70771504 0.00000105 -0.00000529 -0.00000137 Cu 19.16372362 8.34526828 49.42145138 0.00000137 -0.00000582 -0.00000071 Cu 15.33122305 4.16642254 50.13143074 0.00000133 -0.00000727 0.00000151 Cu 19.16372275 6.24933961 50.89734451 0.00000110 -0.00000603 -0.00000123 Cu 17.88622310 4.16642242 50.13143129 0.00000094 -0.00000575 -0.00000521 Cu 6.38872268 6.24933967 50.89734454 0.00000121 -0.00000623 -0.00000116 Cu 2.55622229 2.10728969 51.58153135 0.00000183 -0.00000893 -0.00000139 Cu 6.38872216 4.16601844 52.26664259 0.00000162 -0.00000689 -0.00000063 Cu 5.11122245 2.10728961 51.58153138 0.00000029 -0.00000748 -0.00000120 Cu 8.94372230 4.16601845 52.26664259 0.00000042 -0.00000690 -0.00000011