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=1411.8027539624204 pbc="F T F" Bi 0.02878233 -0.00264618 0.15772641 83 -1118.45141466 812.81089330 -1557.77645044 Bi 1.59837415 1.77415876 0.20504604 83 753.94139534 -4203.89945805 -4368.99798045 Bi 1.77878186 -0.03457989 1.52851792 83 890.35910900 3506.92735464 4426.34060928 Bi -0.19921186 1.50793522 1.50737721 83 -525.84908967 -115.83878989 1500.43382160