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=-3.9752983837662867 stress="0.00019855809700868073 -3.1688131670974626e-05 -6.628279024828634e-05 -3.1688131670974626e-05 0.00018594855625041304 6.395739714189547e-05 -6.628279024828634e-05 6.395739714189547e-05 0.00018588887037318877" free_energy=-3.9752983837662867 pbc="F F F" C 20.91870436 21.04860922 21.20118821 0.17344627 0.11525744 0.01571656 C 22.70960170 22.31143450 22.33833517 0.36898996 -4.14811667 -0.69749204 C 23.78829595 20.83509776 21.14041416 -2.05134083 2.67846892 2.13440876 C 25.55032744 22.45260211 22.45967371 -0.30052930 -0.77519838 0.59665402 C 21.13658074 23.95894820 21.38625107 2.99334184 2.38871951 2.14247002 C 22.56504129 25.20865944 22.36550211 2.28060142 -6.83852666 -4.61889275 C 23.78802619 24.22277084 21.18584377 -4.15727029 3.09614673 3.80226097 C 25.47948213 25.64391375 22.86779500 0.10087415 0.07248306 -0.03205306 C 21.26959405 21.40797779 23.85402479 1.65107196 0.97606305 -1.48730789 C 22.89186668 22.31390627 25.57785606 -0.17018287 -0.05298881 0.07949436 C 24.16838981 20.95774659 23.70072608 0.25957702 1.04866044 -1.15213502 C 25.51999336 22.38825682 25.40404462 0.21055762 -0.09126680 0.16512465 C 21.01881560 24.17895518 24.29140871 -0.11858675 0.29218093 0.34652251 C 22.61455359 25.53253581 25.64904689 -0.19138225 -0.26795829 -0.30942509 C 23.78091226 24.10609294 23.96603997 -1.20709279 1.44766576 -1.17645873 C 25.37632455 25.37010071 25.56835097 0.15792483 0.05840979 0.19111272