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=-9.588637160149272 pbc="F F T" Mo 0.13362859 -0.17297059 0.07034430 42 -17.22874179 -12.32461008 -8.41358443 Mo 1.54852473 1.55473499 -0.08438932 42 10.28749556 13.22102656 -3.41285746 Mo 1.63661615 -0.09519967 1.37719504 42 16.72675524 -9.45814851 6.78598749 Mo -0.20130994 1.61041876 1.26735611 42 -9.78550902 8.56173203 5.04045440