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=398520.83419639117 pbc="F T T" Ra 0.13989415 0.28243766 -0.13068199 88 -523033.34225014 -249755.40581980 500604.97908670 Ra 1.68159391 1.61077116 -0.23829772 88 335055.49453376 -118433.07340594 555626.76915661 Ra 1.50275623 0.06178582 1.70472649 88 512896.44127129 73202.61112629 -750093.91642527 Ra 0.20545541 1.52064516 1.47602510 88 -324918.59355491 294985.86809945 -306137.83181803