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=7173.116363865806 pbc="F F T"
Sc       0.06016831       0.00174800       0.02859261       21  -22129.13029122   -3200.57277546  -20730.09272166 
Sc       1.73426164       1.43634093      -0.14810306       21    3544.98435106    2824.73499401    -654.01294951 
Sc       1.32348205      -0.16974534       1.25467960       21   22577.59609105   -7663.69518564   18400.94345004 
Sc       0.09056108       1.48471128       1.36255323       21   -3993.45015089    8039.53296710    2983.16222113