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=-97.5986521249133 stress="-0.0005408908866557112 -2.0778818900615873e-05 1.4141240995683816e-05 -2.0778818900615873e-05 -0.0005477642697115998 -5.778452742323363e-05 1.4141240995683816e-05 -5.778452742323363e-05 -0.000502352785654064" pbc="F F F" Ta 21.00842295 20.98142727 20.98535886 -0.85526281 -0.46595868 -0.52070429 Ta 22.49093859 22.47645886 22.43889929 -1.06391292 -0.18336209 0.68548617 Ta 23.86723635 21.07468707 20.94322743 1.01407026 -2.36181416 -2.24370611 Ta 25.47022547 22.51386724 22.51458884 4.42424778 -0.41384481 -1.18112467 Ta 20.93661409 23.95322482 20.98000466 -1.30781662 0.03145922 -1.40097936 Ta 22.55017551 25.42585740 22.44571591 -0.82578180 4.37569513 0.43562911 Ta 23.99948387 24.05371958 21.00250298 0.89496299 -0.03920115 -4.39144334 Ta 25.49613335 25.52542530 22.46948341 1.14137808 1.06935305 0.77747669 Ta 20.98622737 21.07368449 23.99309657 -1.82638564 -1.92510346 -0.02869460 Ta 22.53575600 22.46374723 25.52760715 -1.49493183 -0.23847252 3.84100199 Ta 24.05236781 20.96378213 24.01845965 -0.81626298 -4.84509015 -0.62904831 Ta 25.47833471 22.40604212 25.46810309 3.10684334 0.08181299 3.00101357 Ta 20.95557711 24.02317341 23.93071605 -3.07501548 0.13240332 1.01851648 Ta 22.45805228 25.43801355 25.53872196 0.03114310 1.27014288 1.04311880 Ta 24.01497135 23.92561436 24.10001235 -0.08186537 2.61609614 -1.02330062 Ta 25.46037475 25.44095554 25.43393511 0.73458989 0.89588431 0.61675851