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=36302.44381635262 stress="-6652.796720950353 262.85075021435114 708.5084735169175 262.85075021435114 -3958.7516228269237 552.510926462164 708.5084735169175 552.510926462164 -5745.794787301488" pbc="T F F" U -0.07097499 0.14686472 0.09286149 54104.01448990 -34679.46843549 -61461.90705738 U 1.63822228 1.62094259 0.01814745 -35986.74701703 44118.36043416 -68016.80490798 U 1.60925593 0.27588069 1.25930314 -50759.11530323 -38553.74480942 83079.36350892 U -0.01338646 1.75519996 1.23829609 32641.84783037 29114.85281075 46399.34845644