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=128.72707462981836 pbc="F T F" Br 0.24860356 0.16020711 0.05742556 35 -457.75412602 69.25279987 -329.91644452 Br 1.49888311 1.61421249 -0.16563495 35 129.56932961 -209.40845465 -340.39847627 Br 1.47388442 -0.28594102 1.23282507 35 451.53820385 220.17028515 606.87997348 Br 0.05958249 1.51715159 1.64490794 35 -123.35340743 -80.01463037 63.43494732