#print vasp 1 title name SrTiO3 Tausonite ends space full PM3-M 221 1 cell 3.898 3.898 3.898 90.0 90.0 90.0 fractional Sr core 0.500000 0.500000 0.500000 Ti core 0.000000 0.000000 0.000000 O core 0.500000 0.000000 0.000000 ends @include poten.txt conp stop start stop