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=355607.2244351201 pbc="F T T" Th -0.14587115 -0.27783483 -0.26372589 90 -161833.90239699 321674.54933286 -246619.63056643 Th 1.46554163 1.23812301 0.21696331 90 694871.04286203 222385.51089278 -883176.72102703 Th 1.42957913 0.03365359 1.42141210 90 169412.70596044 -345655.34870179 456643.68642532 Th 0.13500588 1.69370929 1.12292165 90 -702449.84642548 -198404.71152386 673152.66516814