# 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 = AlPd2 # 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 1.556331610e+03 1.18 1.322540785e+03 1.20 1.126596357e+03 1.22 9.619054501e+02 1.24 8.231066209e+02 1.26 7.058259883e+02 1.28 6.064787326e+02 1.30 5.221159403e+02 1.32 4.503079475e+02 1.34 3.890456600e+02 1.36 3.366653012e+02 1.38 2.918276333e+02 1.40 2.533141029e+02 1.42 2.201484081e+02 1.44 1.914832679e+02 1.46 1.667186883e+02 1.48 1.452885747e+02 1.50 1.267160488e+02 1.52 1.105931847e+02 1.54 9.656973976e+01 1.56 8.434753098e+01 1.58 7.367607265e+01 1.60 6.434503154e+01 1.62 5.617408856e+01 1.64 4.900721338e+01 1.66 4.271107320e+01 1.68 3.717266667e+01 1.70 3.229621533e+01 1.72 2.799996486e+01 1.74 2.421246375e+01 1.76 2.087059602e+01 1.78 1.791974303e+01 1.80 1.531272314e+01 1.82 1.300730299e+01 1.84 1.096572280e+01 1.86 9.156490903e+00 1.88 7.554429566e+00 1.90 6.137281735e+00 1.92 4.882646380e+00 1.94 3.768269238e+00 1.96 2.774951264e+00 1.98 1.887758457e+00 2.00 1.094288276e+00 2.02 3.824814592e-01 2.04 -2.599515203e-01 2.06 -8.440117359e-01 2.08 -1.377845458e+00 2.10 -1.866919503e+00 2.12 -2.314990066e+00 2.14 -2.724856290e+00 2.16 -3.098671848e+00 2.18 -3.438054057e+00 2.20 -3.744334696e+00 2.22 -4.018912515e+00 2.24 -4.263251791e+00 2.26 -4.478671729e+00 2.28 -4.666409038e+00 2.30 -4.828154316e+00 2.32 -4.966763248e+00 2.34 -5.086465215e+00 2.36 -5.191909157e+00 2.38 -5.286354530e+00 2.40 -5.370428232e+00 2.42 -5.442509433e+00 2.44 -5.500121392e+00 2.46 -5.541117127e+00 2.48 -5.564241956e+00 2.50 -5.569296593e+00 2.52 -5.557113501e+00 2.54 -5.529823177e+00 2.56 -5.490971041e+00 2.58 -5.444826986e+00 2.60 -5.394983970e+00 2.62 -5.343193026e+00 2.64 -5.289322863e+00 2.66 -5.232245973e+00 2.68 -5.170785698e+00 2.70 -5.104223304e+00 2.72 -5.032412597e+00 2.74 -4.955623668e+00 2.76 -4.874199702e+00 2.78 -4.788508060e+00 2.80 -4.699030143e+00 2.82 -4.606467646e+00 2.84 -4.511834646e+00 2.86 -4.416455217e+00 2.88 -4.321793198e+00 2.90 -4.229138902e+00 2.92 -4.139316798e+00 2.94 -4.052596110e+00 2.96 -3.968831767e+00 2.98 -3.887704562e+00 3.00 -3.808916821e+00 3.02 -3.732287494e+00 3.04 -3.657764037e+00 3.06 -3.585372372e+00 3.08 -3.515123276e+00 3.10 -3.446981514e+00 3.12 -3.380864488e+00 3.14 -3.316644276e+00 3.16 -3.254155804e+00 3.18 -3.193215906e+00 3.20 -3.133659246e+00 3.22 -3.075395948e+00 3.24 -3.018489159e+00 3.26 -2.963234921e+00 3.28 -2.910203156e+00 3.30 -2.860182346e+00 3.32 -2.813991323e+00 3.34 -2.772197028e+00 3.36 -2.734868590e+00 3.38 -2.701518860e+00 3.40 -2.671294086e+00 3.42 -2.643338860e+00 3.44 -2.617184581e+00 3.46 -2.593008143e+00 3.48 -2.571650933e+00 3.50 -2.554363083e+00 3.52 -2.542349153e+00 3.54 -2.536284659e+00 3.56 -2.536080824e+00 3.58 -2.541001935e+00 3.60 -2.549974299e+00 3.62 -2.561891334e+00 3.64 -2.575800419e+00 3.66 -2.590961607e+00 3.68 -2.606810922e+00 3.70 -2.622844655e+00 3.72 -2.638568120e+00 3.74 -2.653499208e+00 3.76 -2.667172660e+00 3.78 -2.679140871e+00 3.80 -2.688974391e+00 3.82 -2.696261194e+00 3.84 -2.700607810e+00 3.86 -2.701642795e+00 3.88 -2.699025651e+00 3.90 -2.692463574e+00 3.92 -2.681738319e+00 3.94 -2.666745563e+00 3.96 -2.647545040e+00 3.98 -2.624414790e+00 4.00 -2.597894302e+00 4.02 -2.568793337e+00 4.04 -2.538141946e+00 4.06 -2.507070383e+00 4.08 -2.476635678e+00 4.10 -2.447643410e+00 4.12 -2.420525629e+00 4.14 -2.395315832e+00 4.16 -2.371719486e+00 4.18 -2.349241851e+00 4.20 -2.327323601e+00 4.22 -2.305448239e+00 4.24 -2.283207104e+00 4.26 -2.260325714e+00 4.28 -2.236662426e+00 4.30 -2.212190621e+00 4.32 -2.186953805e+00 4.34 -2.161007373e+00 4.36 -2.134407008e+00 4.38 -2.107208445e+00 4.40 -2.079467244e+00 4.42 -2.051238613e+00 4.44 -2.022577210e+00 4.46 -1.993536931e+00 4.48 -1.964170766e+00 4.50 -1.934530565e+00 4.52 -1.904666938e+00 4.54 -1.874629020e+00 4.56 -1.844464359e+00 4.58 -1.814218755e+00 4.60 -1.783936103e+00 4.62 -1.753658257e+00 4.64 -1.723424957e+00 4.66 -1.693273659e+00 4.68 -1.663239399e+00 4.70 -1.633354804e+00 4.72 -1.603649883e+00 4.74 -1.574152044e+00 4.76 -1.544885986e+00 4.78 -1.515873649e+00 4.80 -1.487134178e+00 4.82 -1.458683870e+00 4.84 -1.430536138e+00 4.86 -1.402701585e+00 4.88 -1.375187999e+00 4.90 -1.348000120e+00 4.92 -1.321140137e+00 4.94 -1.294607332e+00 4.96 -1.268398204e+00 4.98 -1.242506659e+00 5.00 -1.216924070e+00 5.02 -1.191639276e+00 5.04 -1.166638730e+00 5.06 -1.141906615e+00 5.08 -1.117425016e+00 5.10 -1.093174122e+00 5.12 -1.069131761e+00 5.14 -1.045275286e+00 5.16 -1.021579563e+00 5.18 -9.980194928e-01 5.20 -9.745675571e-01 5.22 -9.511976927e-01 5.24 -9.278832898e-01 5.26 -9.045986999e-01 5.28 -8.813201992e-01 5.30 -8.580244132e-01 5.32 -8.346959089e-01 5.34 -8.113224371e-01 5.36 -7.879048457e-01 5.38 -7.644397190e-01 5.40 -7.409552263e-01 5.42 -7.174908494e-01 5.44 -6.941047238e-01 5.46 -6.708497475e-01 5.48 -6.478759375e-01 5.50 -6.252516818e-01 5.52 -6.031773561e-01 5.54 -5.816270322e-01 5.56 -5.607704469e-01 5.58 -5.406239073e-01 5.60 -5.211560846e-01 5.62 -5.023087898e-01 5.64 -4.839875589e-01 5.66 -4.661347196e-01 5.68 -4.488578895e-01 5.70 -4.321805116e-01 5.72 -4.163261220e-01 5.74 -4.014714541e-01 5.76 -3.878987466e-01 5.78 -3.758148283e-01 5.80 -3.653929409e-01 5.82 -3.567500593e-01 5.84 -3.498960639e-01 5.86 -3.447557748e-01 5.88 -3.411790699e-01 5.90 -3.389539108e-01 5.92 -3.378439065e-01 5.94 -3.376054355e-01 5.96 -3.379859485e-01 5.98 -3.387899992e-01 6.00 -3.398213296e-01