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:forces:R:3 energy=-2.52736280663 stress="-14.040949994319773 -0.17099593540582508 1.1396606340927595 -0.17099593540582508 -11.767627344080406 -0.1422192277855288 1.1396606340927595 -0.1422192277855288 -12.829177068747684" pbc="F F F" W -0.14801295 -0.02432459 0.06329927 -18.36733916 -14.05481475 -16.01521768 W 1.43745442 1.27846858 -0.00548572 17.32692711 16.11965973 -16.29362487 W 1.34126820 -0.15859300 1.31668137 16.59134273 -17.44360976 13.71202875 W -0.08013605 1.24396547 1.59073906 -15.55093068 15.37876478 18.59681380