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=1.572329801042202 pbc="T F T" Mo 0.21219253 -0.07514625 0.12990665 42 -3.34410350 -17.95597691 -2.88494001 Mo 1.28220450 1.78278197 0.06210000 42 6.70725268 18.05083507 -2.71134496 Mo 1.63362859 -0.17297059 1.57034430 42 1.94614087 -16.75543037 1.90939677 Mo 0.04852473 1.55473499 1.41561068 42 -5.30929005 16.66057221 3.68688820