256 Lattice="16.015247726440432 0.0 0.0 0.0 16.015247726440432 0.0 0.0 0.0 16.015247726440432" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1797.3418201617353 stress="-0.00697947993535124 0.0004577654403389288 1.3281853975901208e-05 0.0004577654403389288 -0.006787506442960379 -9.090490293142362e-05 1.3281853975901208e-05 -9.090490293142362e-05 -0.007418652306871395" free_energy=-1797.3418201617353 pbc="F F F" Ta 0.02226789 0.02173934 0.02115996 1.80982321 1.94242001 1.92577942 Ta 1.99849766 2.01896792 0.02450791 -0.55399655 -0.66388364 -0.35522066 Ta 1.97671229 0.02165729 2.03864248 -0.31850704 -0.40981341 -0.75506109 Ta 0.00481222 2.01036392 2.03484961 -0.40758646 -0.45547292 -0.63867971 Ta 4.02024850 0.03187895 0.01298612 -0.50901571 0.82258994 0.73657952 Ta 6.03764342 1.97622971 0.03871498 0.06605138 0.07941979 -0.71313598 Ta 5.96711904 0.02766092 1.94592884 0.65711942 -0.77946905 0.11640536 Ta 4.03881854 1.92986790 2.02312480 -0.60056807 0.37093712 -0.52510050 Ta 8.06709274 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