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=96.9424135041 pbc="F T F" Sr -0.09481051 0.04044737 0.10459395 38 -35.85905099 -11.08546564 -27.53802940 Sr 1.22286420 1.26954570 -0.02208018 38 24.60658335 16.89856643 -42.90869023 Sr 1.65488783 0.35379734 1.20245745 38 39.63852312 -13.67972264 33.26642462 Sr -0.10954388 1.33528874 1.48844065 38 -28.38605549 7.86662185 37.18029501