256 Lattice="16.502798461914065 0.0 0.0 0.0 16.502798461914065 0.0 0.0 0.0 16.502798461914065" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1843.629105534538 stress="-0.011733342470113687 0.0005296514705872569 -6.099525222932343e-05 0.0005296514705872569 -0.012081355239866412 -0.0006123277091340171 -6.099525222932343e-05 -0.0006123277091340171 -0.011966462617200043" free_energy=-1843.629105534538 pbc="F F F" Ta 0.00547721 0.02989305 0.02787710 1.14331796 0.89736973 0.88327475 Ta 2.10121654 2.05250586 0.03001216 -0.99897388 -0.32150992 -0.23033576 Ta 2.04324503 0.01248522 2.09825152 -0.41334711 -0.36290170 -0.97693621 Ta 0.00717265 2.05930513 2.02894116 -0.21262990 -0.26724686 -0.26808663 Ta 4.11811107 0.02605593 0.02141443 0.20590696 0.36080467 0.46791056 Ta 6.21937066 2.10125451 0.00343584 0.13853093 -0.69682406 -0.14668523 Ta 6.18291512 0.02455126 2.05449819 0.15775616 -0.09155158 -0.46802642 Ta 4.14920759 2.05841842 2.04584271 -0.17639628 -0.45675357 -0.34651788 Ta 8.28402060 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