4 Lattice="3.266125932564082 0.0 0.0 1.633062966282041 2.8285480295596352 0.0 0.0 0.0 15.333560426540428" Properties=species:S:1:pos:R:3:tags:I:1:forces:R:3:magmoms:R:1 energy=-15.3277497505799 magmom=0.0 pbc="T T F" Sc 1.63306297 0.94284934 4.99999956 3 -0.00000000 0.00000000 0.28501321 0.00000000 Sc 0.00000000 1.88569869 7.66678021 2 0.00000000 0.00000000 -0.25562845 0.00000000 Sc -0.00000000 0.00000000 10.26497769 1 -0.00000000 0.00000000 -0.04014770 0.00000000 H -0.00000000 -0.00000000 12.10556557 0 0.00000000 0.00000000 0.01080847 0.00000000