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=2706.80035174 pbc="T T T" S 0.14196456 -0.07270576 -0.10426255 16 -1078.92426194 -1060.29958317 -1376.85400050 S 0.87365747 0.70588739 0.16753755 16 3839.17948199 1073.33780879 -3334.78022784 S 0.59681875 0.14807731 0.79737131 16 469.85903180 -2984.66011772 3138.56818436 S 0.21731325 0.99404962 0.61810690 16 -3230.11425185 2971.62189210 1573.06604397