256 Lattice="16.246317252494848 0.0 0.0 0.0 16.246317252494848 0.0 0.0 0.0 16.246317252494848" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1816.8256027193252 stress="-0.003937976174810607 0.00031073722265869097 0.00047356546110719936 0.00031073722265869097 -0.003775828127392218 -0.0004386706263108252 0.00047356546110719936 -0.0004386706263108252 -0.003321386981974677" free_energy=-1816.8256027193252 pbc="F F F" Ta 0.03841454 0.03625512 0.00925594 0.62559447 0.53252443 0.55890262 Ta 2.01821679 2.05683204 0.03984497 0.25788920 0.06369074 -0.13100915 Ta 2.01288923 0.01984560 2.08661591 0.37601377 -0.14701958 -0.09877535 Ta 0.03301263 2.02711555 2.02771487 -0.41774492 0.14405902 0.15078144 Ta 4.06332817 0.03625885 0.00191363 -0.30871632 0.25159497 0.19684585 Ta 6.09232783 2.04549368 0.02444661 0.11986267 0.20556757 -0.33624581 Ta 6.06394542 0.02312292 1.99812935 0.19101957 -0.27090521 0.46214972 Ta 4.09046023 2.00092258 1.99441384 -0.38017999 0.12093862 0.24053424 Ta 8.12252931 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