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=126.172843319 pbc="T F F" C 0.48566920 0.14553331 -0.07051738 6 -27.74244686 -245.07194392 -148.65667011 C 0.69809454 0.97094491 0.05874487 6 232.92628942 234.56142668 -124.03357696 C 0.84751396 -0.04154888 0.96219253 6 46.63698693 -57.23455975 93.14938329 C 0.03527251 0.87990665 0.53220450 6 -251.82082949 67.74507699 179.54086378