256 Lattice="16.7531026346984 0.0 0.0 0.0 16.7531026346984 0.0 0.0 0.0 16.7531026346984" Properties=species:S:1:pos:R:3:forces:R:3 energy=-2747.393879788306 stress="-0.005137636650778568 7.034554677968427e-05 0.00039896204461671423 7.034554677968427e-05 -0.004697140912084496 9.130707130017216e-06 0.00039896204461671423 9.130707130017216e-06 -0.004671524038515719" free_energy=-2747.393879788306 pbc="F F F" Ta 0.04015695 0.00542845 0.02230653 0.65705195 0.68068236 0.65140513 Ta 2.09486945 2.08271377 0.00042719 0.06310097 0.00424984 -0.15722765 Ta 2.05805306 0.02314961 2.13172656 0.24971284 -0.45490860 -0.23822408 Ta 0.02849775 2.06919316 2.12592116 -0.62582624 0.15426052 -0.41101381 Ta 4.15832921 0.00556926 0.04164476 0.21082652 0.88516442 0.85501260 Ta 6.27851907 2.16241973 0.01154441 0.09123615 -0.14415859 -0.42099519 Ta 6.31923681 0.02676911 2.09195192 -0.23696896 -0.63182434 -0.06586918 Ta 4.24396614 2.09683998 2.09880617 -0.30384129 -0.75726527 -0.75490441 Ta 8.32678650 0.00530107 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