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=-8.800160176942025 stress="-3.817273733386734 -0.2477469149483167 -0.29714201579717825 -0.2477469149483167 -5.127178683726468 0.013197162894712733 -0.29714201579717825 0.013197162894712733 -5.605135915341092" pbc="F F F" C -0.06254558 -0.22153142 -0.00548572 -1.76800094 -1.55781577 -1.44966325 C 1.34126820 1.34140700 -0.18331863 1.39724210 1.44792887 -1.81538945 C 1.41986395 -0.25603453 1.59073906 1.50888744 -1.58727570 1.52714515 C 0.27219963 1.43381326 1.63132919 -1.13812861 1.69716260 1.73790755