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=-7.967954610868128 stress="-37.09278042093388 -4.7377715958738555 -6.340031185599644 -4.7377715958738555 -35.70952727525179 7.521063863877302 -6.340031185599644 7.521063863877302 -35.42800983966202" pbc="F F F" Zr -0.21780693 0.21813893 -0.23283931 -16.86938448 -7.50715105 -12.53047108 Zr 1.69410236 1.33096497 -0.11798803 12.44079325 16.02960583 -9.30645884 Zr 1.43300593 -0.27997518 1.27696427 8.38294046 -16.33073631 13.97909280 Zr -0.08338442 1.46512192 1.72586561 -3.95434923 7.80828154 7.85783712