4 Lattice="1.5 0.0 0.0 0.0 1.5 0.0 0.0 0.0 1.5" Properties=species:S:1:pos:R:3:forces:R:3 energy=770.560203318554 stress="-705.1463807692554 -25.093678613873518 48.07591221054689 -25.093678613873518 -917.2525683014552 232.55911504346147 48.07591221054689 232.55911504346147 -730.2595209298665" pbc="F T F" user01 0.08004885 0.13417175 0.33595892 -3021.20896914 -1072.22945993 -1793.97956833 user01 0.63813862 0.46439497 0.41657831 3269.76683403 4420.30919784 -3564.39751482 user01 0.56425730 -0.01155935 0.78277713 1702.79609861 -5546.95082104 3140.71417863 user01 0.21813893 0.51716069 0.94410236 -1951.35396351 2198.87108313 2217.66290452