poten
species
Sr  core 1.2
Ti  core 2.4
O   core -1.2
ends

buck
Sr core O core 14566.637 0.245015 81.773 0.000 15.000
Ti core O core 23707.909 0.185580 14.513 0.000 15.000
O  core O core 1844.7458 0.343645 192.58 0.000 15.000
ends
ends