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=7.86477714027 stress="-4.163391589138424 0.09665686438975446 -0.3972121120391061 0.09665686438975446 -4.027686347078758 0.10855032855481732 -0.3972121120391061 0.10855032855481732 -4.196944522799979" pbc="F F F" O -0.14801295 -0.02432459 0.06329927 -6.27566471 -4.37870038 -6.14120106 O 1.43745442 1.27846858 -0.00548572 4.06457886 5.52967847 -4.67910766 O 1.34126820 -0.15859300 1.31668137 6.02580497 -6.36056914 5.71999408 O -0.08013605 1.24396547 1.59073906 -3.81471912 5.20959105 5.10031464