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=13022.432343788967 pbc="T F F" Cf -0.27571500 0.27038676 0.17372135 98 48561.14304514 -28597.63917809 -25200.04741696 Cf 1.59418320 1.33376182 -0.11530000 98 -28378.66159678 29801.01807224 -10289.28674700 Cf 1.58210166 0.01261941 1.26965085 98 -22125.89639020 -11146.09849110 24088.71166478 Cf 0.11576178 1.18340511 1.59051602 98 1943.41494184 9942.71959696 11400.62249919