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:Z:I:1:forces:R:3 energy=52.0801320650327 pbc="F T T" Rg -0.25482780 -0.13859239 0.50268194 111 -75.43092265 75.16938119 -168.03219178 Rg 1.77881987 1.38369940 -0.03357968 111 57.32596983 320.15387005 -301.69018016 Rg 1.56330813 0.18427879 1.26963072 111 19.49737049 -313.31348236 336.32085504 Rg -0.20734761 1.45740949 1.79779494 111 -1.39241766 -82.00976887 133.40151690