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:forces:R:3 energy=13493.04311361318 stress="-1967.0418906103775 -1189.1907368620866 -298.2760504274552 -1189.1907368620866 -2599.605831212991 581.9450580750358 -298.2760504274552 581.9450580750358 -1621.1651607680283" pbc="F T F"
Sc       0.10905559      -0.05580494       0.19995779   -9534.70657115   15853.83412559  -25346.42528328 
Sc       1.60557815       1.50885301       0.13132014    6832.57253546   -1397.23905020   -5236.30663677 
Sc       1.34540235       0.02029334       1.70043924   36031.90244025   29432.57984499   12106.54517093 
Sc       0.15894773       1.79582818       1.56638721  -33329.76840456  -43889.17492039   18476.18674912