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=41975.62273247282 pbc="T F F"
Sc       0.19673038       0.29910033      -0.24044503       21 -146334.33836201 -123420.37657742  -63973.34971005 
Sc       1.35617237       1.20106117       0.16625745       21  181098.25813754  123504.51268042    1017.75956849 
Sc       1.45778039       0.12717677       1.66225880       21   20366.56014612  -30654.08223851   19434.71797841 
Sc       0.17258842       1.29334154       1.36057142       21  -55130.47992164   30569.94613550   43520.87216314