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=2723.6610050858085 pbc="F F T"
Md      -0.00537994      -0.27941230       0.24528869      101   -3331.03021912   -1964.15480859   -2648.86927278 
Md       1.43576932       1.36313313      -0.25654022      101    1875.50838165    6081.07029214    5332.77893813 
Md       1.39421081       0.08787898       1.47193197      101    3947.30440043   -6142.58518068   -2479.72619517 
Md      -0.05977583       1.51608214       1.35426751      101   -2491.78256296    2025.66969712    -204.18347019