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=-63.81843673691747 stress="-0.0009582200019521842 -1.308624020883582e-05 -7.447597235899972e-05 -1.308624020883582e-05 -0.0005411543993963806 -0.00010053397685553408 -7.447597235899972e-05 -0.00010053397685553408 -0.0007666058141772788" free_energy=-63.81843673691747 pbc="F F F" Ta 20.91870436 21.04860922 21.20118821 -1.39023892 -1.27383534 -2.80524167 Ta 22.70960170 22.31143450 22.33833517 -7.73855349 9.20084698 0.70354184 Ta 24.06049558 20.83509776 21.14041416 0.71143928 -5.72773145 -5.97857216 Ta 25.27812781 22.45260211 22.32834452 9.50091054 2.54637930 1.74531059 Ta 20.87679405 23.95894820 21.20259391 -2.51764588 -2.49457265 -1.78766668 Ta 22.56504129 25.20865944 22.36550211 -1.81572268 8.65011476 2.75350918 Ta 23.78802619 24.35410003 21.18584377 2.06092022 -0.31500131 -8.06558063 Ta 25.68362810 25.69581920 22.64685009 -2.36664708 -1.38216741 1.40158370 Ta 21.26959405 21.17626233 23.85402479 -6.10833207 -1.35777228 2.92946075 Ta 22.96975010 22.21799642 25.65300231 -3.58837691 2.20144185 6.02143935 Ta 23.82353050 20.95774659 23.91852158 4.43472159 -8.88103313 0.49642579 Ta 25.45789336 22.38825682 25.27041603 3.61967896 1.35574753 1.31020376 Ta 21.19178619 24.17895518 24.47506588 -4.34504212 -3.11622997 -2.04452018 Ta 22.81744082 25.53253581 25.64904689 -0.31034723 2.84367675 2.64498328 Ta 23.78091226 24.10609294 23.96603997 7.85778365 -3.50989762 0.59725021 Ta 25.38941356 25.11743001 25.46171052 1.99545214 1.26003399 0.07787286