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=12.3582843836 stress="-3.3693874346131127 -0.05649974087912018 -0.547311239762428 -0.05649974087912018 -3.918519220855315 0.26230100647370136 -0.547311239762428 0.26230100647370136 -4.266041895336192" pbc="F F F" F 0.29169807 -0.03136998 -0.05369362 -9.24232902 -6.50462784 -10.67139571 F 1.53851086 1.64982991 -0.25204613 6.53530364 6.36098278 -4.94066750 F 1.32929456 -0.21252151 1.39476746 7.81810026 -5.21876778 10.74382640 F -0.12006196 1.78095696 1.32464588 -5.11107488 5.36241285 4.86823681