16 Lattice="42.0 0.0 0.0 0.0 42.0 0.0 0.0 0.0 42.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-86.6177413340335 stress="-0.00039826656483388413 5.222526035230731e-05 7.259110575346508e-05 5.222526035230731e-05 -0.0003433673452982271 -6.52770001471342e-05 7.259110575346508e-05 -6.52770001471342e-05 -0.00044108888980712866" free_energy=-86.6177413340335 pbc="F F F" Ta 20.81668137 20.91986395 20.74396547 2.00980340 1.96545193 1.79266835 Ta 22.59073906 22.77219963 22.43381326 -1.82218384 -8.78804709 -3.15074240 Ta 24.13132919 21.25978669 20.72592512 -2.30277390 0.92551712 0.85834508 Ta 25.28504734 22.45656688 22.70288723 4.48487165 0.27752421 -2.37862492 Ta 21.08343331 23.67675590 20.94809454 -2.51818732 0.24714894 -2.41367592 Ta 22.72094491 25.73171545 22.54326986 -2.90546680 3.55121906 -0.66047742 Ta 23.82183498 24.21219253 20.92485375 2.22364825 -0.33370372 -4.64547844 Ta 25.37636302 25.26413881 22.70280062 2.11563291 1.62136216 0.56418232 Ta 21.26280203 21.03448025 23.82702941 -1.01192920 0.09643325 -1.45417431 Ta 22.57034430 22.54646020 25.55473499 -2.29872089 1.46187614 4.36981152 Ta 23.91561068 21.13661615 24.18667272 -1.28169066 -6.85146561 -2.54226035 Ta 25.38720696 22.29869006 25.59495216 1.94105149 3.09812381 1.82333814 Ta 20.76735611 23.83533445 23.74148635 -1.41166263 0.82323096 1.03273258 Ta 22.68781729 25.41162544 25.24503322 -2.80397675 4.11955878 3.87902455 Ta 23.72329650 23.96375436 23.90583543 6.40120079 -0.53616883 4.16231968 Ta 25.25559716 25.20178472 25.79874826 -0.81961648 -1.67806111 -1.23698846