864 Lattice="24.640153714156426 0.0 0.0 0.0 24.640153714156426 0.0 0.0 0.0 24.640153714156426" Properties=species:S:1:pos:R:3:forces:R:3 energy=-6377.5705733144705 stress="-0.0021904279398214485 3.372633351301826e-05 3.145524033831983e-06 3.372633351301826e-05 -0.0022233014998465812 -0.0001441549980316664 3.145524033831983e-06 -0.0001441549980316664 -0.0022458358023465705" pbc="F F F" Ta 0.00025435 0.01979832 0.02009919 0.61362208 0.79308691 0.65281708 Ta 2.12080592 2.01830256 0.01344105 -0.27299252 0.34305415 0.10769403 Ta 2.02534454 0.04390031 2.02983908 0.23118171 -0.03257401 0.13981686 Ta 0.00773274 2.05781350 2.07592861 0.13932100 0.11881443 -0.04813272 Ta 4.16340145 0.03260504 0.01364730 -0.05493258 0.16337827 0.38079421 Ta 6.19723893 2.02347851 0.03204458 -0.17341023 0.55602822 -0.09051501 Ta 6.18629598 0.02279537 2.03965201 0.10042634 -0.05126475 0.38298371 Ta 4.12640897 2.01497530 1.99758014 -0.06813848 0.19954510 0.18105084 Ta 8.18862806 0.02590200 0.02591462 0.07037784 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14.37407652 -0.08292970 0.14759652 -0.06387894 Ta 4.11532215 12.31882808 12.35480883 -0.18332097 0.03267874 -0.09373496 Ta 6.16443461 14.38662979 12.34392645 -0.08185144 -0.11689858 -0.03432946 Ta 6.18461322 12.32141967 14.40899881 -0.40631123 -0.09379096 -0.14823002 Ta 4.10232892 14.36393521 14.35355418 -0.17117089 0.04374097 0.02716170 Ta 8.20276089 12.33045026 12.35871418 -0.01140622 -0.14827477 -0.26180023 Ta 10.27402276 14.34024644 12.31789344 -0.01534868 0.26963186 0.16046974 Ta 10.28277738 12.29741166 14.38068261 -0.13176565 0.08014948 -0.01776596 Ta 8.19013562 14.33493499 14.37325260 0.20643324 0.21324152 0.05852169 Ta 12.29577557 12.36793501 12.29518040 0.17559141 -0.25916109 0.02211553 Ta 14.41403190 14.39201450 12.34872858 -0.32579574 -0.06840395 -0.24660336 Ta 14.35345691 12.28092917 14.33193876 0.23364884 0.04555294 0.14929475 Ta 12.33412755 14.35391985 14.39575990 0.07028172 0.29549061 -0.12003588 Ta 16.39336664 12.34323654 12.28106069 0.19202480 -0.05724311 0.26803114 Ta 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16.44179332 12.31350590 0.37372145 -0.05301398 0.18659437 Ta 22.61915689 18.52129007 12.28862210 -0.17351167 -0.16260018 0.27547896 Ta 22.58709977 16.38369251 14.40122871 0.12431089 0.30533140 -0.06923622 Ta 20.49579981 18.46859157 14.36558836 0.67987608 0.04775777 0.14632891 Ta 0.00049609 20.54333218 12.27888080 0.16355161 -0.16652302 -0.10559020 Ta 2.05979665 22.61108311 12.28859635 0.09078588 -0.12823096 0.00966547 Ta 1.99533706 20.51992365 14.34003952 0.07952382 0.29438286 0.10185956 Ta 0.00597356 22.56010215 14.34063267 0.38235723 -0.45269001 0.02318451 Ta 4.09172401 20.54470740 12.35315886 -0.05824770 0.30937098 -0.24825559 Ta 6.18896051 22.60517851 12.33467751 -0.17892052 -0.09335497 -0.25742617 Ta 6.19677625 20.52295988 14.33948479 -0.20144706 0.35938840 0.36583297 Ta 4.12111514 22.56044601 14.36517490 -0.11801549 0.00183878 0.16931099 Ta 8.20286748 20.50176832 12.32524852 0.14868104 0.52056068 -0.10525458 Ta 10.30712510 22.59383834 12.29274655 -0.29011463 -0.08487823 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