# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1 # composition = Mg2Zr # NOTE: These values are for static, unrelaxed structures and use the ideal # b/a and c/a ratios for the crystal structure, not the potential-specific # values. # Calculations from the NIST Interatomic Potential Repository Project: # http://www.ctcms.nist.gov/potentials/ # Table generated 2024-04-11 r C1--CaF2--fluori 0.50 nan 0.52 nan 0.54 nan 0.56 nan 0.58 nan 0.60 nan 0.62 nan 0.64 nan 0.66 nan 0.68 nan 0.70 nan 0.72 nan 0.74 nan 0.76 nan 0.78 nan 0.80 nan 0.82 nan 0.84 nan 0.86 nan 0.88 nan 0.90 nan 0.92 nan 0.94 nan 0.96 nan 0.98 nan 1.00 nan 1.02 nan 1.04 nan 1.06 nan 1.08 nan 1.10 nan 1.12 nan 1.14 5.249205614e+02 1.16 4.860163329e+02 1.18 4.501880927e+02 1.20 4.171665693e+02 1.22 3.867076369e+02 1.24 3.585907517e+02 1.26 3.326174653e+02 1.28 3.086086552e+02 1.30 2.864018000e+02 1.32 2.658497571e+02 1.34 2.468195135e+02 1.36 2.291905362e+02 1.38 2.128532224e+02 1.40 1.977073845e+02 1.42 1.836605739e+02 1.44 1.706267709e+02 1.46 1.585262654e+02 1.48 1.472862748e+02 1.50 1.368410069e+02 1.52 1.271307882e+02 1.54 1.181009596e+02 1.56 1.097011644e+02 1.58 1.018852257e+02 1.60 9.461106359e+01 1.62 8.784094084e+01 1.64 8.153965959e+01 1.66 7.567413780e+01 1.68 7.021328764e+01 1.70 6.512785555e+01 1.72 6.039114813e+01 1.74 5.597858436e+01 1.76 5.186754205e+01 1.78 4.803719389e+01 1.80 4.446826472e+01 1.82 4.114281946e+01 1.84 3.804397458e+01 1.86 3.515582147e+01 1.88 3.246346919e+01 1.90 2.995319216e+01 1.92 2.761246480e+01 1.94 2.542990802e+01 1.96 2.339508097e+01 1.98 2.149832913e+01 2.00 1.973068411e+01 2.02 1.808378483e+01 2.04 1.654980425e+01 2.06 1.512137023e+01 2.08 1.379149391e+01 2.10 1.255351571e+01 2.12 1.140112079e+01 2.14 1.032837185e+01 2.16 9.329770594e+00 2.18 8.400271753e+00 2.20 7.535258331e+00 2.22 6.730460132e+00 2.24 5.981888304e+00 2.26 5.285802471e+00 2.28 4.638709981e+00 2.30 4.037370433e+00 2.32 3.478720080e+00 2.34 2.960142743e+00 2.36 2.479226977e+00 2.38 2.033706791e+00 2.40 1.621438239e+00 2.42 1.240373307e+00 2.44 8.885509679e-01 2.46 5.641512159e-01 2.48 2.655923547e-01 2.50 -8.680643056e-03 2.52 -2.602167693e-01 2.54 -4.905289247e-01 2.56 -7.010608218e-01 2.58 -8.931601243e-01 2.60 -1.068065945e+00 2.62 -1.226909108e+00 2.64 -1.370742224e+00 2.66 -1.500535133e+00 2.68 -1.617210170e+00 2.70 -1.721650323e+00 2.72 -1.814706514e+00 2.74 -1.897199168e+00 2.76 -1.969914821e+00 2.78 -2.033595651e+00 2.80 -2.088948292e+00 2.82 -2.136612823e+00 2.84 -2.177180224e+00 2.86 -2.211190221e+00 2.88 -2.239137027e+00 2.90 -2.261476160e+00 2.92 -2.278630843e+00 2.94 -2.290997147e+00 2.96 -2.298947599e+00 2.98 -2.302833353e+00 3.00 -2.302985243e+00 3.02 -2.299714132e+00 3.04 -2.293310606e+00 3.06 -2.284046473e+00 3.08 -2.272172829e+00 3.10 -2.257922540e+00 3.12 -2.241508185e+00 3.14 -2.223136535e+00 3.16 -2.202990987e+00 3.18 -2.181249106e+00 3.20 -2.158082337e+00 3.22 -2.133659917e+00 3.24 -2.108152487e+00 3.26 -2.081734542e+00 3.28 -2.054584673e+00 3.30 -2.026882820e+00 3.32 -1.998804487e+00 3.34 -1.970512893e+00 3.36 -1.942150889e+00 3.38 -1.913839282e+00 3.40 -1.885701110e+00 3.42 -1.857776105e+00 3.44 -1.830065385e+00 3.46 -1.802560566e+00 3.48 -1.775246255e+00 3.50 -1.748104101e+00 3.52 -1.721115753e+00 3.54 -1.694264661e+00 3.56 -1.667536908e+00 3.58 -1.640916957e+00 3.60 -1.614358328e+00 3.62 -1.587805512e+00 3.64 -1.561214366e+00 3.66 -1.534550499e+00 3.68 -1.507788302e+00 3.70 -1.480910574e+00 3.72 -1.453908726e+00 3.74 -1.426783501e+00 3.76 -1.399546049e+00 3.78 -1.372219129e+00 3.80 -1.344838058e+00 3.82 -1.317450998e+00 3.84 -1.290118105e+00 3.86 -1.262909267e+00 3.88 -1.235900346e+00 3.90 -1.209168253e+00 3.92 -1.182785332e+00 3.94 -1.156815034e+00 3.96 -1.131306874e+00 3.98 -1.106295174e+00 4.00 -1.081798692e+00 4.02 -1.057822143e+00 4.04 -1.034358865e+00 4.06 -1.011394005e+00 4.08 -9.889076735e-01 4.10 -9.668725873e-01 4.12 -9.452775348e-01 4.14 -9.240952773e-01 4.16 -9.033070554e-01 4.18 -8.828967607e-01 4.20 -8.628510224e-01 4.22 -8.431590632e-01 4.24 -8.238124196e-01 4.26 -8.048045965e-01 4.28 -7.861307037e-01 4.30 -7.677871068e-01 4.32 -7.497711086e-01 4.34 -7.320806699e-01 4.36 -7.147141721e-01 4.38 -6.976702185e-01 4.40 -6.809474738e-01 4.42 -6.645445329e-01 4.44 -6.484598194e-01 4.46 -6.326915058e-01 4.48 -6.172374538e-01 4.50 -6.020951729e-01 4.52 -5.872617934e-01 4.54 -5.727340545e-01 4.56 -5.585083057e-01 4.58 -5.445805225e-01 4.60 -5.309463345e-01 4.62 -5.176010670e-01 4.64 -5.045397938e-01 4.66 -4.917574008e-01 4.68 -4.792486565e-01 4.70 -4.670082879e-01 4.72 -4.550310554e-01 4.74 -4.433118243e-01 4.76 -4.318456274e-01 4.78 -4.206277151e-01 4.80 -4.096489566e-01 4.82 -3.989151783e-01 4.84 -3.884168598e-01 4.86 -3.781503162e-01 4.88 -3.681120788e-01 4.90 -3.582988543e-01 4.92 -3.487074788e-01 4.94 -3.393348677e-01 4.96 -3.301779679e-01 4.98 -3.212337131e-01 5.00 -3.124989859e-01 5.02 -3.039705879e-01 5.04 -2.956452171e-01 5.06 -2.875194555e-01 5.08 -2.795897630e-01 5.10 -2.718524806e-01 5.12 -2.643038398e-01 5.14 -2.569399778e-01 5.16 -2.497569595e-01 5.18 -2.427508033e-01 5.20 -2.359175123e-01 5.22 -2.292531088e-01 5.24 -2.227536718e-01 5.26 -2.164153778e-01 5.28 -2.102345408e-01 5.30 -2.042076526e-01 5.32 -1.983314186e-01 5.34 -1.926027879e-01 5.36 -1.870189728e-01 5.38 -1.815774554e-01 5.40 -1.762759772e-01 5.42 -1.711125107e-01 5.44 -1.660852113e-01 5.46 -1.611923513e-01 5.48 -1.564322398e-01 5.50 -1.518031340e-01 5.52 -1.473031492e-01 5.54 -1.429301754e-01 5.56 -1.386818077e-01 5.58 -1.345552958e-01 5.60 -1.305475164e-01 5.62 -1.266549686e-01 5.64 -1.228737898e-01 5.66 -1.191997883e-01 5.68 -1.156284879e-01 5.70 -1.121551782e-01 5.72 -1.087749659e-01 5.74 -1.054828231e-01 5.76 -1.022736081e-01 5.78 -9.914213896e-02 5.80 -9.608322513e-02 5.82 -9.309167453e-02 5.84 -9.016231285e-02 5.86 -8.729000017e-02 5.88 -8.446964711e-02 5.90 -8.169623270e-02 5.92 -7.896482635e-02 5.94 -7.627061597e-02 5.96 -7.360894437e-02 5.98 -7.097535562e-02 6.00 -6.836565290e-02