# # CmO2 Library of Potentials # # from: M.W.D. Cooper, M.J.D Rushton, R.W. Grimes, J. Phys. Condes. Matter 26 (2014) 105401. # doi:10.1088/0953-8984/26/10/105401 # # This file and other actinide potentials available from: # http://abulafia.mt.ic.ac.uk/potentials/actinides/ # # Partial charges of species species 2 Cm core 2.220800 O core -1.110400 # Short range pair interations buck O core Cm core 356.08276571 0.377487869274 0.0 0.00 11.00 Cm core Cm core 18600.0 0.260946 0.0 0.00 11.00 O core O core 830.283447557 0.352856254215 3.88437209048 0.00 11.00 morse O core Cm core 0.76127634979 2.0806059271 2.311067032 0.000 11.000 # Enables definition of many-body terms manybody O core Cm core 1.500 11.000 Cm core Cm core 1.500 11.000 O core O core 1.500 11.000 # Definition of the embedded atom method eam_functional square_root Cm core 0.493619305338 O core 0.690017059438 eam_density power 8 Cm core 1503.7038148 O core 106.855913747