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=6428.936053885469 pbc="T F T"
Sc       0.05956578       0.19821728      -0.13260473       21    2942.66683480   -6218.77687485    -720.72672846 
Sc       1.71220858       1.79842077      -0.07436641       21   -8776.97802372    4593.33348435    6050.03175568 
Sc       1.60645686      -0.01487615       1.25759007       21   -1832.69856072   -3412.79968192    3408.62435362 
Sc       0.02992092       1.73180161       1.55990312       21    7667.00974964    5038.24307242   -8737.92938084