500 Lattice="20.670912374015042 0.0 0.0 0.0 20.670912374015042 0.0 0.0 0.0 20.670912374015042" Properties=species:S:1:pos:R:3:forces:R:3 energy=-3671.868200047644 stress="-0.01352864809656832 -0.00045050982608240434 0.00010376600599648222 -0.00045050982608240434 -0.013543484499371542 -0.000280389456152159 0.00010376600599648222 -0.000280389456152159 -0.013266578376351255" free_energy=-3671.868200047644 pbc="F F F" Ta 0.02370327 0.02457023 0.03269174 1.10531113 1.04064148 1.04908350 Ta 2.04643990 2.09764022 0.01978586 -0.48678810 -0.90951405 -0.41597851 Ta 2.10418427 0.03856259 2.05867772 -0.78397745 -0.32099615 -0.59241662 Ta 0.02521134 2.07727236 2.06137264 -0.38950426 -0.71777739 -0.39745295 Ta 4.20104088 0.02082627 0.00955119 -0.24993335 0.46915439 0.72462885 Ta 6.17695313 2.07577705 0.03971093 0.34506667 -0.58245713 -0.48109125 Ta 6.22915605 0.02249741 2.09561788 -0.06298151 -0.13180790 -0.50393515 Ta 4.12178922 2.07666685 2.04869933 0.18884083 -0.50236193 -0.15241123 Ta 8.26245502 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14.49171994 -0.20709740 0.31070865 -0.32449201 Ta 8.27706871 4.20096730 12.37994413 -0.19498018 -0.49925130 0.34774990 Ta 10.39283011 6.21683659 12.39076112 -0.21063548 -0.01460063 0.26312132 Ta 10.31979172 4.09763528 14.45680904 0.13657587 0.40689436 0.15139229 Ta 8.30670447 6.20808484 14.45589839 -0.25777081 0.15402845 0.12961975 Ta 12.42150274 4.09896247 12.36299810 -0.37948175 0.13871235 0.21641597 Ta 14.43609629 6.16756338 12.42614819 0.52512327 0.32514498 -0.29680056 Ta 14.44341703 4.10579034 14.45481213 0.34704568 0.10781646 0.23576969 Ta 12.43815553 6.17449902 14.43416790 -0.60089780 0.15844687 0.58241728 Ta 16.56290147 4.16192249 12.41795965 0.17889789 -0.31136654 -0.20131781 Ta 18.64178418 6.16019310 12.36859241 0.06622781 0.52670921 0.21638227 Ta 18.58291484 4.15581942 14.44545714 0.26057245 -0.11306358 0.43256703 Ta 16.55377195 6.17727195 14.44742528 0.35254650 0.51115553 0.23640524 Ta 0.00316646 8.27319305 12.42602192 -0.23021908 -0.03518236 -0.40851540 Ta 2.04772757 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