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=53.3961637253 pbc="F F T" Mo 0.01316701 0.11775054 -0.03975236 42 -93.49328158 -96.91093844 -9.79221604 Mo 1.22002482 1.27696427 -0.08338442 42 99.54200575 94.81528008 -8.47919186 Mo 1.46512192 0.00124711 1.49687526 42 61.47089772 -66.40343633 -8.54546426 Mo -0.05302179 1.52103145 1.27761356 42 -67.51962190 68.49909470 26.81687215