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=568709.6522148168 stress="-72088.04286000675 10953.642170702406 -24342.224562481402 10953.642170702406 -85667.54700886893 -36629.72926040188 -24342.224562481402 -36629.72926040188 -96728.91786313195" pbc="F T F" Pm 0.29558347 0.21011519 0.19668628 -1108824.04486999 -447802.08612452 -1596569.71740416 Pm 1.61428843 1.79203623 0.14602002 509428.41568434 -457739.89849624 -781332.93330318 Pm 1.43432960 0.00397394 1.29588576 1118995.96391350 270727.39138091 1482483.15946923 Pm 0.29493095 1.47491318 1.24932010 -519600.33472784 634814.59323985 895419.49123811