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=0.5972937930461992 pbc="F F T" Cn -0.01791155 -0.06603696 -0.06659202 112 -2.11369988 -3.44087316 -0.92885777 Cn 1.50823781 1.59955083 -0.14693518 112 0.35487184 1.07649064 0.43055513 Cn 1.54146859 -0.17653295 1.79171193 112 2.52904250 -1.10545830 -2.34994288 Cn -0.20376601 1.28092650 1.24162226 112 -0.77021446 3.46984082 2.84824552