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=187.534160503 pbc="T T F" Mo 0.08407602 0.33863628 0.44854923 42 -40.24969867 -184.30300821 -198.03711482 Mo 1.45717459 1.35402479 0.31605635 42 35.02127324 117.92051846 -151.12534446 Mo 1.49207130 0.16661829 1.53848316 42 16.86988871 -97.48591843 150.04051388 Mo -0.04225341 1.41852158 1.45789336 42 -11.64146328 163.86840818 199.12194540