500 Lattice="21.027910345547596 0.0 0.0 0.0 21.027910345547596 0.0 0.0 0.0 21.027910345547596" Properties=species:S:1:pos:R:3:forces:R:3 energy=-5449.679075932195 stress="-0.004218115161941415 -2.7828599004332445e-05 -6.944143199090527e-05 -2.7828599004332445e-05 -0.004142626153024424 -0.00023222600455050159 -6.944143199090527e-05 -0.00023222600455050159 -0.004597018703453741" free_energy=-5449.679075932195 pbc="F F F" Ta 0.01649194 0.03706494 0.00634281 0.80271436 0.79993541 0.80865097 Ta 2.12547494 2.10714920 0.02250096 -0.15763201 -0.12625829 -0.31746799 Ta 2.11445974 0.00514505 2.11419587 0.00690633 -0.22220482 -0.12039894 Ta 0.03849530 2.13450823 2.13181925 -0.57287426 -0.34990873 -0.26221295 Ta 4.17843618 0.01665224 0.02946669 0.27868138 0.86923543 0.88994227 Ta 6.32831676 2.10289436 0.02672335 -0.17570373 -0.14587177 -0.37099845 Ta 6.32239481 0.01050863 2.12400761 -0.09856921 -0.18721400 -0.07596344 Ta 4.22641958 2.14222746 2.08925001 -0.05753043 -1.07957218 -0.39455970 Ta 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12.61200869 0.45906735 -0.52978412 -0.34557850 Ta 14.67393696 0.03998864 14.67891861 0.08588984 -0.22773763 0.24582839 Ta 12.60056326 2.12416492 14.70512179 -0.06058153 -0.66106603 0.25248035 Ta 16.84132855 0.01189651 12.64552520 -0.01513384 -0.02472120 -0.30533045 Ta 18.92126998 2.17116718 12.62668927 0.09478031 -0.17684493 -0.04711910 Ta 18.88312338 0.03092263 14.74561804 -0.75966656 0.74073511 -0.23559323 Ta 16.80416138 2.08069994 14.70198160 0.60099998 -0.44790753 0.09171382 Ta 0.03314928 4.25216085 12.65329826 -0.25636417 -0.01716983 -0.24168716 Ta 2.10594692 6.28679590 12.59828684 -0.32611321 0.31169000 -0.19567741 Ta 2.08239576 4.22396225 14.71570922 -0.10430538 0.15546563 0.29960178 Ta 0.03119723 6.29774157 14.74589791 -0.33715913 -0.09892079 -0.19121593 Ta 4.17871497 4.17132851 12.57999283 0.67244361 0.52511320 0.23095717 Ta 6.34066944 6.26965182 12.60264482 -0.35132856 0.33380087 0.21162204 Ta 6.32773164 4.21678647 14.75400128 -0.42697404 0.06859089 -0.60645681 Ta 4.22785572 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