256 Lattice="16.40371322631836 0.0 0.0 0.0 16.40371322631836 0.0 0.0 0.0 16.40371322631836" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1849.5163859839533 stress="-0.0011860407571089478 -0.00020319431860281055 -0.00015594599762038284 -0.00020319431860281055 -0.001579990999368096 0.00024339271259912667 -0.00015594599762038284 0.00024339271259912667 -0.0011072851330381232" free_energy=-1849.5163859839533 pbc="F F F" Ta 0.02689319 0.02347289 0.02161063 0.65686622 0.50738406 0.65951635 Ta 2.02545250 2.04968489 0.00386385 0.47997218 0.02210173 -0.20201811 Ta 2.01371542 0.00929442 2.08676374 0.55866947 -0.10767821 -0.39627323 Ta 0.02132431 2.03986309 2.03189809 -0.43734684 0.24688104 0.06080638 Ta 4.07214018 0.00372975 0.03540838 -0.35401826 0.40708527 0.44517359 Ta 6.12408290 2.01073295 0.00197793 0.31430043 0.36882656 -0.27473576 Ta 6.13263308 0.01044813 2.02262207 0.10119801 -0.38954894 0.31068858 Ta 4.14023075 2.06475700 2.06693569 -0.41889489 -0.17514886 -0.12853730 Ta 8.23616841 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