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=-8.24751482737007 stress="0.37764234413119846 -0.06782673235825988 0.1654399935383974 -0.06782673235825988 -0.20910158866936357 0.02306954311412719 0.1654399935383974 0.02306954311412719 0.20787918218554693" pbc="T F T" C 0.03848316 0.19178619 0.17895518 3.84763902 -0.51393766 3.14805916 C 1.79140871 1.61455359 0.03253581 2.06493212 2.76632169 -3.16676330 C 1.64904689 0.10609294 1.46603997 -4.58530971 -3.50036233 -3.17697414 C -0.19401975 1.32157598 1.51361598 -1.32726143 1.24797830 3.19567829