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=57.693537656286836 stress="-0.0007259133039780003 -0.00013335062643859733 -1.7049322744190652e-05 -0.00013335062643859733 -0.0007023014328153463 2.301709712480534e-05 -1.7049322744190652e-05 2.301709712480534e-05 -0.0006337270211286547" free_energy=57.693537656286836 pbc="F F F" Ta 20.91835389 21.21813893 20.89684287 0.60010060 -3.03559614 0.48672734 Ta 22.69410236 22.55077025 22.38201197 -0.56566509 -3.68227631 2.11367431 Ta 24.23278247 20.72002482 20.96240232 -1.45386248 0.97388269 0.27617098 Ta 25.41661558 22.41973134 22.72586561 6.04108705 1.99731776 -4.11018440 Ta 21.29391194 23.72614529 21.02103145 -2.58772708 5.24435849 -2.07758173 Ta 22.27761356 25.75548141 22.59352564 0.89753747 1.43466144 -3.96969392 Ta 24.23573857 24.02724172 20.77538150 -1.58857465 -0.81047936 -1.04182588 Ta 25.20296332 25.34887301 22.72083292 3.80562255 4.15702587 -2.61516272 Ta 20.78984966 21.11696630 23.92299150 0.84542463 0.77512668 -1.77268398 Ta 22.40698366 22.68107110 25.32825321 -0.02898615 -7.61581429 6.98435535 Ta 24.13102478 21.09995250 24.13546615 -3.74126623 -6.12814684 0.85540134 Ta 25.51193751 22.75226748 25.46431997 0.65915511 2.29520250 1.96000579 Ta 21.04396501 24.22956549 24.20379337 -12.07197171 -2.21549983 -5.46627429 Ta 22.73854596 25.26922180 25.28229695 -1.82834299 12.87769509 12.01826461 Ta 23.78595882 24.18745344 24.02015752 8.79606322 -6.61645328 -5.39580102 Ta 25.37970777 25.77711528 25.37871118 2.22140575 0.34899552 1.75460821