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=13234.468695082287 pbc="F T F"
Sc       0.21089397      -0.23511649       0.03168467       21   -8201.30986250   29446.84882980  -31630.83161653 
Sc       1.50665521       1.36667066       0.05522036       21   19859.49656545   -4831.12240212  -10258.89539390 
Sc       1.24441287       0.11047581       1.75932425       21   10079.44856623   -3814.69360102    9302.98654844 
Sc       0.06630703       1.53976511       1.24023125       21  -21737.63526918  -20801.03282665   32586.74046200