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=4548.335858494066 pbc="T F T"
Md      -0.26520743      -0.09309913       0.19282636      101    8177.99060774   -2733.48964653   -8137.74488950 
Md       1.57189921       1.40029271       0.13755068      101   -6616.54882457    3242.93655788   -6226.90962225 
Md       1.34722715      -0.28699257       1.25659733      101   -6114.17570998   -2972.74571253    8522.30928963 
Md      -0.08045982       1.67126073       1.30972083      101    4552.73392681    2463.29880119    5842.34522213