4 Lattice="3.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 3.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=22.2009870845 stress="-20.694534055794374 -0.6745220800506418 -7.795494478441795 -0.6745220800506418 -20.238481942338083 -2.862873295944511 -7.795494478441795 -2.862873295944511 -25.147873679209532" pbc="F F F" P 0.02201293 -0.18365652 -0.07465759 -42.22960913 -34.16812703 -54.19944701 In 1.48566276 1.31443107 0.04376171 17.72853952 29.37635003 -26.78147769 In 1.22051529 0.19273990 1.30722932 48.63103803 -26.59688958 64.69255325 P -0.23827333 1.55332204 1.38436473 -24.12996842 31.38866657 16.28837145