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=734.5636578285718 pbc="F T T" Ds 0.26506824 0.26855960 0.04393198 110 -1897.89950417 -1411.59535807 728.40393198 Ds 1.54946378 1.44969794 0.12312019 110 1581.41026681 958.49137532 157.13897504 Ds 1.34192400 -0.15688187 1.60505097 110 1660.81057200 796.82023945 -368.64453735 Ds 0.14676232 1.53880611 1.70631584 110 -1344.32133463 -343.71625670 -516.89836966