# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2012--Schopf-D-Brommer-P-Frigan-B-Trebin-H-R--Al-Mn-Pd # implementation = EAM_IMD_SchopfBrommerFrigan_2012_AlMnPd__MO_878712978062_003 # composition = Al2Pd # 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 2022-05-24 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 nan 1.16 8.530104097e+02 1.18 7.322392368e+02 1.20 6.302292286e+02 1.22 5.438016203e+02 1.24 4.703590587e+02 1.26 4.077747102e+02 1.28 3.542964984e+02 1.30 3.084738360e+02 1.32 2.691060693e+02 1.34 2.351956903e+02 1.36 2.059078291e+02 1.38 1.805423223e+02 1.40 1.585147371e+02 1.42 1.393368012e+02 1.44 1.225988382e+02 1.46 1.079581198e+02 1.48 9.512919093e+01 1.50 8.387070594e+01 1.52 7.402138725e+01 1.54 6.540197127e+01 1.56 5.779319443e+01 1.58 5.106429241e+01 1.60 4.507410110e+01 1.62 3.976307473e+01 1.64 3.505337773e+01 1.66 3.086875340e+01 1.68 2.714358175e+01 1.70 2.382217272e+01 1.72 2.085762827e+01 1.74 1.820979975e+01 1.76 1.584308135e+01 1.78 1.372519578e+01 1.80 1.182689298e+01 1.82 1.012182776e+01 1.84 8.586792944e+00 1.86 7.202499082e+00 1.88 5.953844227e+00 1.90 4.828990015e+00 1.92 3.817868629e+00 1.94 2.910645565e+00 1.96 2.096980543e+00 1.98 1.366400135e+00 2.00 7.090200856e-01 2.02 1.158158308e-01 2.04 -4.213557304e-01 2.06 -9.094620397e-01 2.08 -1.353968649e+00 2.10 -1.759011515e+00 2.12 -2.127746593e+00 2.14 -2.462601424e+00 2.16 -2.765433215e+00 2.18 -3.037739632e+00 2.20 -3.281029093e+00 2.22 -3.497166956e+00 2.24 -3.688342843e+00 2.26 -3.856763189e+00 2.28 -4.004476635e+00 2.30 -4.133518573e+00 2.32 -4.246204061e+00 2.34 -4.345234844e+00 2.36 -4.433347816e+00 2.38 -4.512652836e+00 2.40 -4.584173085e+00 2.42 -4.648010635e+00 2.44 -4.703905142e+00 2.46 -4.751691647e+00 2.48 -4.791467057e+00 2.50 -4.823525997e+00 2.52 -4.848144897e+00 2.54 -4.865469306e+00 2.56 -4.875510717e+00 2.58 -4.878202332e+00 2.60 -4.873522573e+00 2.62 -4.861645697e+00 2.64 -4.843024659e+00 2.66 -4.818330451e+00 2.68 -4.788284072e+00 2.70 -4.753507174e+00 2.72 -4.714475264e+00 2.74 -4.671552955e+00 2.76 -4.625050152e+00 2.78 -4.575270189e+00 2.80 -4.522550277e+00 2.82 -4.467307534e+00 2.84 -4.410080753e+00 2.86 -4.351529756e+00 2.88 -4.292369734e+00 2.90 -4.233250421e+00 2.92 -4.174642221e+00 2.94 -4.116798971e+00 2.96 -4.059808968e+00 2.98 -4.003685375e+00 3.00 -3.948441517e+00 3.02 -3.894129228e+00 3.04 -3.840846243e+00 3.06 -3.788719970e+00 3.08 -3.737873742e+00 3.10 -3.688417141e+00 3.12 -3.640447157e+00 3.14 -3.594048958e+00 3.16 -3.549295835e+00 3.18 -3.506248074e+00 3.20 -3.464950507e+00 3.22 -3.425428512e+00 3.24 -3.387682373e+00 3.26 -3.351680090e+00 3.28 -3.317349336e+00 3.30 -3.284570205e+00 3.32 -3.253171958e+00 3.34 -3.222938819e+00 3.36 -3.193631184e+00 3.38 -3.165027384e+00 3.40 -3.136984773e+00 3.42 -3.109506339e+00 3.44 -3.082784131e+00 3.46 -3.057185885e+00 3.48 -3.033169967e+00 3.50 -3.011154142e+00 3.52 -2.991397466e+00 3.54 -2.973948389e+00 3.56 -2.958670005e+00 3.58 -2.945311284e+00 3.60 -2.933581610e+00 3.62 -2.923202526e+00 3.64 -2.913931744e+00 3.66 -2.905566274e+00 3.68 -2.897931590e+00 3.70 -2.890858040e+00 3.72 -2.884170187e+00 3.74 -2.877687148e+00 3.76 -2.871223381e+00 3.78 -2.864589508e+00 3.80 -2.857593274e+00 3.82 -2.850040892e+00 3.84 -2.841739154e+00 3.86 -2.832498938e+00 3.88 -2.822140942e+00 3.90 -2.810504788e+00 3.92 -2.797462548e+00 3.94 -2.782937407e+00 3.96 -2.766926757e+00 3.98 -2.749526440e+00 4.00 -2.730949170e+00 4.02 -2.711526794e+00 4.04 -2.691685765e+00 4.06 -2.671891472e+00 4.08 -2.652569945e+00 4.10 -2.634029191e+00 4.12 -2.616407208e+00 4.14 -2.599663896e+00 4.16 -2.583615134e+00 4.18 -2.567991131e+00 4.20 -2.552497132e+00 4.22 -2.536860647e+00 4.24 -2.520859583e+00 4.26 -2.504333121e+00 4.28 -2.487180528e+00 4.30 -2.469352913e+00 4.32 -2.450833297e+00 4.34 -2.431611108e+00 4.36 -2.411677284e+00 4.38 -2.391024177e+00 4.40 -2.369645674e+00 4.42 -2.347537134e+00 4.44 -2.324695453e+00 4.46 -2.301119094e+00 4.48 -2.276808049e+00 4.50 -2.251763904e+00 4.52 -2.225989856e+00 4.54 -2.199490659e+00 4.56 -2.172272705e+00 4.58 -2.144343999e+00 4.60 -2.115714085e+00 4.62 -2.086394222e+00 4.64 -2.056397114e+00 4.66 -2.025737159e+00 4.68 -1.994430260e+00 4.70 -1.962493761e+00 4.72 -1.929946608e+00 4.74 -1.896809140e+00 4.76 -1.863103102e+00 4.78 -1.828851590e+00 4.80 -1.794078996e+00 4.82 -1.758810872e+00 4.84 -1.723074015e+00 4.86 -1.686896422e+00 4.88 -1.650306660e+00 4.90 -1.613334804e+00 4.92 -1.576011529e+00 4.94 -1.538368041e+00 4.96 -1.500436588e+00 4.98 -1.462249999e+00 5.00 -1.423841319e+00 5.02 -1.385244644e+00 5.04 -1.346494701e+00 5.06 -1.307625473e+00 5.08 -1.268673655e+00 5.10 -1.229673526e+00 5.12 -1.190662968e+00 5.14 -1.151679473e+00 5.16 -1.112761570e+00 5.18 -1.073949466e+00 5.20 -1.035285752e+00 5.22 -9.968144149e-01 5.24 -9.585794694e-01 5.26 -9.206413752e-01 5.28 -8.830425568e-01 5.30 -8.458557955e-01 5.32 -8.091530706e-01 5.34 -7.730123470e-01 5.36 -7.375216091e-01 5.38 -7.027841066e-01 5.40 -6.689264467e-01 5.42 -6.361098805e-01 5.44 -6.045424507e-01 5.46 -5.742878627e-01 5.48 -5.457736801e-01 5.50 -5.190217589e-01 5.52 -4.946045583e-01 5.54 -4.725273297e-01 5.56 -4.530566304e-01 5.58 -4.365526163e-01 5.60 -4.230943526e-01 5.62 -4.126493466e-01 5.64 -4.050896215e-01 5.66 -4.002074989e-01 5.68 -3.977310057e-01 5.70 -3.973387398e-01 5.72 -3.985232093e-01 5.74 -4.009984627e-01 5.76 -4.046747116e-01 5.78 -4.092416283e-01 5.80 -4.142810652e-01 5.82 -4.198854087e-01 5.84 -4.257724687e-01 5.86 -4.318431492e-01 5.88 -4.380471261e-01 5.90 -4.442115346e-01 5.92 -4.503732987e-01 5.94 -4.563770650e-01 5.96 -4.622579577e-01 5.98 -4.679116675e-01 6.00 -4.733453065e-01