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=17322.92626985118 pbc="T T F"
Sc      -0.07292185       0.02879962      -0.03457626       21   -9726.92871461    7653.46325219  -21244.90656126 
Sc       1.23234508       1.40634983       0.14382202       21   33010.14453220    5795.29135686  -37097.79899190 
Sc       1.19751159       0.25716728       1.59626978       21    9719.01524025   -6563.90196631   17887.14752177 
Sc      -0.01736806       1.79119603       1.27320255       21  -33002.23105784   -6884.85264274   40455.55803139