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=2510.78371009544 pbc="F T F" Lr -0.10150189 -0.12669688 -0.07508195 103 -4016.72059851 -1286.01547575 -5095.47828122 Lr 1.33358583 1.45326612 -0.26702500 103 2285.95215994 -2151.90865549 -3143.94316725 Lr 1.35363882 -0.26382061 1.21570226 103 3592.25728711 1190.67745220 4420.98155550 Lr -0.17758901 1.20095153 1.30406920 103 -1861.48884854 2247.24667905 3818.43989296