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=21390567.290914066 pbc="T T T"
Sc       0.11202179      -0.25393640       0.08753902       21 -40180453.92788428 -36954064.05914774 -38470619.15246697 
Sc       0.84984619       1.04710413       0.20811176       21 40724300.46075337 165022361.61751491 -98191662.22531822 
Sc       0.70241579       0.27963692       0.64963944       21 13441253.13898330 -132257356.11714557 133089157.96458608 
Sc      -0.20153325       1.01786945       0.62065391       21 -13985099.67185240 4189058.55877870 3573123.41319906