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=1680.6550608897517 pbc="T F T" Ds -0.22146365 0.20286379 0.09860014 110 2372.18147912 -5750.86637917 -3390.83706777 Ds 1.77864268 1.52674622 0.09043308 110 -4246.44816316 3449.95061680 -2409.62647324 Ds 1.57099700 -0.06294154 1.61439782 110 -1045.81426242 -876.65768135 80.52569684 Ds -0.17115402 1.23652475 1.34611678 110 2920.08094646 3177.57344372 5719.93784417