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=248.3607440018747 pbc="T F F" In 0.08804070 -0.00783853 -0.29073952 49 -339.47690676 -168.80561612 -434.56234908 In 1.44036299 1.54010466 0.09679154 49 117.89357019 686.93795172 -523.20188166 In 1.22930503 0.08775480 1.25965934 49 281.35335666 -701.66866713 780.26089021 In -0.13246741 1.56177401 1.69779826 49 -59.77002008 183.53633153 177.50334053