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=14579672.691976873 pbc="T T T" Md 0.24557302 -0.21624671 0.19023998 101 -23489010.27270813 -43893492.07391848 -88724245.76531875 Md 0.95041957 0.84457809 0.25474438 101 87049048.29419316 -2459700.77197895 178466.43097266 Md 0.45116655 0.13222364 0.96135656 101 23108200.63771639 35276446.46454199 93197113.59533246 Md 0.07096660 0.90078711 0.22872505 101 -86668238.65920141 11076746.38135531 -4651334.26098631