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=-75.385977383641 stress="-0.0007130626651748097 0.00012738013463033234 0.00010279007100145856 0.00012738013463033234 -0.0010148727903256708 -0.00015550599615971338 0.00010279007100145856 -0.00015550599615971338 -0.0006844715831373232" free_energy=-75.385977383641 pbc="F F F" Ta 20.96064715 21.10181725 21.23278247 -3.32104653 -3.11041834 -3.87777935 Ta 22.22002482 22.27696427 22.60205363 -0.06174081 2.59762467 -5.52271980 Ta 23.96512192 21.22586561 21.29391194 -5.30822222 -8.09791315 -2.20452871 Ta 25.22614529 22.52103145 22.23222298 9.67542090 1.73944843 0.32443184 Ta 21.18220204 23.96690777 21.23573857 -6.48775031 -2.26253858 -2.54747845 Ta 22.52724172 25.27538150 22.20296332 1.29265171 8.76572308 3.52008898 Ta 23.84887301 24.22083292 20.78984966 4.51302645 -0.97583217 -4.01620536 Ta 25.48735431 25.42299150 22.40698366 1.73360301 2.02652949 -2.08548859 Ta 21.38096833 20.95786521 24.13102478 -0.69206188 -3.93373771 4.49611166 Ta 22.59995250 22.76120756 25.51193751 -1.69420453 -4.45941682 1.91676371 Ta 24.25226748 20.83857856 24.04396501 4.71383513 -2.58457934 0.20167639 Ta 25.57236142 22.86099744 25.50419442 2.28286563 -2.40182177 2.13440624 Ta 21.06690634 23.78229695 24.00304726 -1.92745830 5.10586858 3.61452565 Ta 22.54811011 25.52015752 25.37970777 -2.51526000 6.93051265 4.23430315 Ta 24.27711528 23.87871118 23.75213077 3.40829294 1.25997663 1.22876131 Ta 25.23125112 25.38913963 25.63616082 -5.61195119 -0.59942566 -1.41686869