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=-4.57308348362 stress="0.8647768881635979 0.15181721668326129 -0.6035093063011921 0.15181721668326129 0.5508212903870657 -0.9706647437719172 -0.6035093063011921 -0.9706647437719172 0.9709291380326789" pbc="F F F" Be -0.18564671 0.11115480 0.11044915 0.48356302 -0.83709558 -0.89905670 Be 1.70960170 1.51402841 -0.16166483 -2.74355984 -2.58727547 4.00419585 Be 1.35333724 -0.16490224 1.64041416 0.13243324 2.62630685 -2.64161821 Be -0.22187219 1.51878885 1.32834452 2.12756359 0.79806420 -0.46352095