864 Lattice="24.30668849945069 0.0 0.0 0.0 24.30668849945069 0.0 0.0 0.0 24.30668849945069" Properties=species:S:1:pos:R:3:forces:R:3 energy=-6303.8711801322615 stress="-0.006240258391736555 0.00012759868837591297 -1.2456330918940391e-05 0.00012759868837591297 -0.006379872416444527 -3.516864060730203e-05 -1.2456330918940391e-05 -3.516864060730203e-05 -0.00628526165400008" pbc="F F F" Ta 0.03969775 0.03018695 0.01585806 1.93922964 1.73644730 1.90999706 Ta 2.02309232 2.04143792 0.04564698 -0.61060044 -0.44209498 -0.30865084 Ta 2.01134774 0.05336686 1.98948146 -0.46288370 -0.31602485 -0.36228001 Ta 0.01331284 2.02102017 2.02663318 -0.09558871 -0.25506005 -0.59867364 Ta 4.01145460 0.02015954 0.01861182 -0.11798742 1.31109106 1.23700126 Ta 6.10426499 2.02953106 0.01647242 -0.11603596 -0.45807123 -0.00308127 Ta 6.08446370 0.00788427 2.06365184 -0.25325118 -0.14106902 -0.52971007 Ta 4.04723213 2.05114619 2.02364959 0.02302205 -0.68892614 -0.42399357 Ta 8.07424466 0.03007611 0.02179597 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