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=2560.55949341 pbc="T T T" Mo -0.18564671 0.31374870 0.17549044 42 -4547.56583233 -11359.87055680 -10623.95106854 Mo 0.95960170 0.27009394 0.06110600 42 1072.20029914 178.18376745 -1136.57741920 Mo 0.53829595 0.02094153 0.89041416 42 483.44335178 -1186.67942866 1719.65733212 Mo -0.03824408 0.76878885 0.57834452 42 2991.92218142 12368.36621801 10040.87115561