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=-20.48113332531587 stress="0.4298870491962603 -0.22937316616520387 0.05355811329916633 -0.22937316616520387 0.7345799237881899 -0.015778420795979103 0.05355811329916633 -0.015778420795979103 0.4708544615262698" pbc="F T F" B 0.16517249 0.08768902 0.23575666 1.33033558 -5.17950216 5.71026288 B 1.42387406 1.17459832 0.23909813 -1.49830957 4.85572309 3.82638866 B 1.54722415 0.28787083 1.69303731 -6.74946090 0.06919427 -4.72879909 B 0.10837079 1.30753069 1.44932735 6.91743489 0.25458480 -4.80785244