# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1989--Adams-J-B-Foiles-S-M-Wolfer-W-G--Ag-Au-Cu-Ni-Pd-Pt # implementation = 1989--Adams-J-B--Ag-Au-Cu-Ni-Pd-Pt--LAMMPS--ipr1 # composition = Cu2Pd # 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 5.031525895e+02 0.86 4.559836871e+02 0.88 4.136112131e+02 0.90 3.754965374e+02 0.92 3.411704008e+02 0.94 3.102163198e+02 0.96 2.822754217e+02 0.98 2.570353660e+02 1.00 2.342189976e+02 1.02 2.135758110e+02 1.04 1.948878686e+02 1.06 1.779536517e+02 1.08 1.626050071e+02 1.10 1.486863048e+02 1.12 1.360561108e+02 1.14 1.245849265e+02 1.16 1.141532024e+02 1.18 1.046638563e+02 1.20 9.602363090e+01 1.22 8.814831285e+01 1.24 8.096803050e+01 1.26 7.441432349e+01 1.28 6.842814789e+01 1.30 6.295172886e+01 1.32 5.793654477e+01 1.34 5.334205132e+01 1.36 4.912773411e+01 1.38 4.525593465e+01 1.40 4.169822969e+01 1.42 3.842483068e+01 1.44 3.540812986e+01 1.46 3.262556264e+01 1.48 3.005846698e+01 1.50 2.768825873e+01 1.52 2.549747016e+01 1.54 2.346980726e+01 1.56 2.159230985e+01 1.58 1.984873221e+01 1.60 1.823916144e+01 1.62 1.674926112e+01 1.64 1.536967181e+01 1.66 1.404851819e+01 1.68 1.283666828e+01 1.70 1.168614009e+01 1.72 1.059437571e+01 1.74 9.559289485e+00 1.76 8.577685939e+00 1.78 7.647771797e+00 1.80 6.770018544e+00 1.82 5.943208255e+00 1.84 5.165805693e+00 1.86 4.436250795e+00 1.88 3.752850967e+00 1.90 3.113846056e+00 1.92 2.517446389e+00 1.94 1.960426622e+00 1.96 1.443152122e+00 1.98 9.633856209e-01 2.00 5.194936000e-01 2.02 1.107220131e-01 2.04 -2.640878581e-01 2.06 -6.083630789e-01 2.08 -9.237361290e-01 2.10 -1.211804146e+00 2.12 -1.474441965e+00 2.14 -1.712915363e+00 2.16 -1.928973975e+00 2.18 -2.123221372e+00 2.20 -2.297309795e+00 2.22 -2.452572869e+00 2.24 -2.589349723e+00 2.26 -2.709632313e+00 2.28 -2.814696306e+00 2.30 -2.905631717e+00 2.32 -2.983509445e+00 2.34 -3.049152791e+00 2.36 -3.103453824e+00 2.38 -3.147255128e+00 2.40 -3.181351582e+00 2.42 -3.206492206e+00 2.44 -3.223381645e+00 2.46 -3.232608931e+00 2.48 -3.234776780e+00 2.50 -3.231110300e+00 2.52 -3.221573748e+00 2.54 -3.206689971e+00 2.56 -3.186911378e+00 2.58 -3.160872046e+00 2.60 -3.131965620e+00 2.62 -3.099910718e+00 2.64 -3.064670245e+00 2.66 -3.026577387e+00 2.68 -2.985942881e+00 2.70 -2.943056230e+00 2.72 -2.898186813e+00 2.74 -2.851585074e+00 2.76 -2.803485548e+00 2.78 -2.754464730e+00 2.80 -2.704565786e+00 2.82 -2.653730322e+00 2.84 -2.602126410e+00 2.86 -2.549981007e+00 2.88 -2.496771283e+00 2.90 -2.442898486e+00 2.92 -2.388877136e+00 2.94 -2.334826694e+00 2.96 -2.280848849e+00 2.98 -2.227036859e+00 3.00 -2.173475530e+00 3.02 -2.120248388e+00 3.04 -2.068036156e+00 3.06 -2.017088588e+00 3.08 -1.966582739e+00 3.10 -1.916580757e+00 3.12 -1.867141961e+00 3.14 -1.818323480e+00 3.16 -1.770094862e+00 3.18 -1.722446387e+00 3.20 -1.675295650e+00 3.22 -1.628585074e+00 3.24 -1.582504395e+00 3.26 -1.537662203e+00 3.28 -1.493785457e+00 3.30 -1.450697344e+00 3.32 -1.408404885e+00 3.34 -1.366922103e+00 3.36 -1.326258057e+00 3.38 -1.286415475e+00 3.40 -1.247396148e+00 3.42 -1.209204826e+00 3.44 -1.171843135e+00 3.46 -1.135301478e+00 3.48 -1.099578050e+00 3.50 -1.064675763e+00 3.52 -1.030579833e+00 3.54 -9.972406147e-01 3.56 -9.646173679e-01 3.58 -9.326948306e-01 3.60 -9.015009347e-01 3.62 -8.710583557e-01 3.64 -8.413969966e-01 3.66 -8.125153873e-01 3.68 -7.844001085e-01 3.70 -7.570397212e-01 3.72 -7.303432919e-01 3.74 -7.042979338e-01 3.76 -6.789368044e-01 3.78 -6.542873314e-01 3.80 -6.303691068e-01 3.82 -6.071948801e-01 3.84 -5.847715666e-01 3.86 -5.630987141e-01 3.88 -5.422333713e-01 3.90 -5.220716473e-01 3.92 -5.025052494e-01 3.94 -4.834511711e-01 3.96 -4.648470178e-01 3.98 -4.466470668e-01 4.00 -4.288201016e-01 4.02 -4.113716509e-01 4.04 -3.942647092e-01 4.06 -3.774540097e-01 4.08 -3.609090380e-01 4.10 -3.446088031e-01 4.12 -3.284909344e-01 4.14 -3.125820427e-01 4.16 -2.969407883e-01 4.18 -2.816146227e-01 4.20 -2.666413784e-01 4.22 -2.520506477e-01 4.24 -2.378649796e-01 4.26 -2.240882847e-01 4.28 -2.106543207e-01 4.30 -1.990294349e-01 4.32 -1.883849462e-01 4.34 -1.781085188e-01 4.36 -1.682197131e-01 4.38 -1.587197126e-01 4.40 -1.496065782e-01 4.42 -1.408758596e-01 4.44 -1.325210895e-01 4.46 -1.245342019e-01 4.48 -1.169058877e-01 4.50 -1.096258941e-01 4.52 -1.026832768e-01 4.54 -9.606661088e-02 4.56 -8.976416587e-02 4.58 -8.376405304e-02 4.60 -7.805434400e-02 4.62 -7.262316893e-02 4.64 -6.745879590e-02 4.66 -6.254969432e-02 4.68 -5.788458498e-02 4.70 -5.345247861e-02 4.72 -4.924270520e-02 4.74 -4.524493554e-02 4.76 -4.144919511e-02 4.78 -3.784587336e-02 4.80 -3.442572810e-02 4.82 -3.117988629e-02 4.84 -2.809984170e-02 4.86 -2.517745004e-02 4.88 -2.240492272e-02 4.90 -1.977481835e-02 4.92 -1.727969941e-02 4.94 -1.488208758e-02 4.96 -1.315404911e-02 4.98 -1.202650763e-02 5.00 -1.093524791e-02 5.02 -9.900595800e-03 5.04 -8.919847565e-03 5.06 -7.990279936e-03 5.08 -7.109301874e-03 5.10 -6.274448650e-03 5.12 -5.483376120e-03 5.14 -4.733855207e-03 5.16 -4.023766573e-03 5.18 -3.351095512e-03 5.20 -2.713927028e-03 5.22 -2.110441114e-03 5.24 -1.538908232e-03 5.26 -9.976849947e-04 5.28 -4.855245458e-04 5.30 -7.585059274e-16 5.32 0.000000000e+00 5.34 0.000000000e+00 5.36 0.000000000e+00 5.38 0.000000000e+00 5.40 0.000000000e+00 5.42 0.000000000e+00 5.44 0.000000000e+00 5.46 0.000000000e+00 5.48 0.000000000e+00 5.50 0.000000000e+00 5.52 0.000000000e+00 5.54 0.000000000e+00 5.56 0.000000000e+00 5.58 0.000000000e+00 5.60 0.000000000e+00 5.62 0.000000000e+00 5.64 0.000000000e+00 5.66 0.000000000e+00 5.68 0.000000000e+00 5.70 0.000000000e+00 5.72 0.000000000e+00 5.74 0.000000000e+00 5.76 0.000000000e+00 5.78 0.000000000e+00 5.80 0.000000000e+00 5.82 0.000000000e+00 5.84 0.000000000e+00 5.86 0.000000000e+00 5.88 0.000000000e+00 5.90 0.000000000e+00 5.92 0.000000000e+00 5.94 0.000000000e+00 5.96 0.000000000e+00 5.98 0.000000000e+00 6.00 0.000000000e+00