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=1945.16755713 pbc="T T T" Mo -0.18564671 0.31374870 0.17549044 42 -1612.51040233 -1956.84564730 -2257.79366691 Mo 0.95960170 0.56143450 0.06110600 42 1196.59320517 362.72052001 -847.68124926 Mo 0.53829595 0.02094153 0.89041416 42 748.98658176 -1233.73294103 1313.27497534 Mo -0.03824408 0.76878885 0.57834452 42 -333.06938460 2827.85806832 1792.19994083