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=107.91540060647934 stress="-7.534289625152746 -1.0616826340654215 1.126300962631163 -1.0616826340654215 -15.013467040691618 0.672337160635057 1.126300962631163 0.672337160635057 -14.694290754087985" pbc="F T T" Zr 0.22094491 0.30205975 0.18190327 -70.97120937 -12.72886009 -17.27688352 Zr 1.32183498 1.71219253 -0.07514625 69.54484501 -33.99682126 25.39837086 Zr 1.62990665 -0.21779550 1.78278197 81.06303259 46.88992127 -38.05379760 Zr 0.06210000 1.68215332 1.32702941 -79.63666823 -0.16423992 29.93231026