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=37.9973726584 pbc="F T F" Mo -0.09481051 -0.17769156 -0.18978866 42 -59.65990077 -1.21859733 -31.38157171 Mo 1.22286420 1.31224209 -0.02980687 42 60.42633459 2.26035718 -98.45672004 Mo 1.65488783 -0.17295391 1.20245745 42 72.15863355 -2.60811465 45.22482964 Mo 0.35841318 1.31425730 1.48844065 42 -72.92506736 1.56635481 84.61346211