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=53589.79271986915 pbc="F F T" U 0.25775858 0.33678440 0.27776109 92 -149800.24227095 -40876.63430253 -117885.02711111 U 1.70084609 1.46578169 0.17613825 92 59794.39574714 80600.29553775 -61012.41047101 U 1.45825322 0.25948893 1.42475021 92 120536.15146810 -86241.56696422 154388.45681957 U 0.29980175 1.76010177 1.54220145 92 -30530.30494428 46517.90572900 24508.98076255