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=4596.477055755068 pbc="T T F" Bi -0.23606304 -0.07908747 0.11972022 83 6281.37824881 -1471.30463993 -7711.91101923 Bi 1.39175371 1.49547194 0.17602710 83 -853.29167361 3868.96350008 -6681.15689868 Bi 1.44090796 0.09956330 1.22543011 83 -3840.25012373 -7013.12513556 10424.21646766 Bi -0.01057407 1.13686496 1.60501140 83 -1587.83645148 4615.46627541 3968.85145025