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=1948.27903487 pbc="T T T" Mo -0.18564671 0.31374870 0.17549044 42 -1612.52119472 -1956.83756328 -2257.81624167 Mo 0.95960170 0.56143450 0.06110600 42 1196.61589978 362.71898189 -847.70304218 Mo 0.53829595 0.02094153 0.89041416 42 748.97868262 -1233.76050322 1313.30024857 Mo -0.03824408 0.76878885 0.57834452 42 -333.07338768 2827.87908462 1792.21903527