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=10.592990933872683 pbc="F T F" Mo 0.08343331 -0.14204597 -0.05190546 42 -24.59604042 2.39031299 -20.58681766 Mo 1.72094491 1.73171545 0.18190327 42 23.01542822 -6.44950116 -21.13756980 Mo 1.32183498 0.21219253 1.42485375 42 45.28588421 -25.16376255 20.76130301 Mo 0.12990665 1.28220450 1.78278197 42 -43.70527202 29.22295072 20.96308446