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=1741.0803443918064 pbc="F T F"
Md       0.19389960       0.09126930      -0.27352762      101   -4221.63458187   -1377.54233437   -2027.12374994 
Md       1.47528329       1.51074939      -0.17453042      101    3434.18649413    1623.26222306    -519.12248357 
Md       1.20010179       0.12088739       1.45655553      101    2758.47379101     736.40775613    1935.48766148 
Md      -0.19496982       1.74458202       1.79015547      101   -1971.02570326    -982.12764482     610.75857203