# 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 = CuNi2 # 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 3.203650417e+02 0.82 2.987930526e+02 0.84 2.792789763e+02 0.86 2.614401533e+02 0.88 2.449889554e+02 0.90 2.296994015e+02 0.92 2.153830435e+02 0.94 2.019137353e+02 0.96 1.891863357e+02 0.98 1.771292280e+02 1.00 1.656844033e+02 1.02 1.548092641e+02 1.04 1.444775444e+02 1.06 1.346678462e+02 1.08 1.253615577e+02 1.10 1.165379517e+02 1.12 1.081810957e+02 1.14 1.002733303e+02 1.16 9.281042843e+01 1.18 8.577811779e+01 1.20 7.916940846e+01 1.22 7.296318021e+01 1.24 6.715278381e+01 1.26 6.172081229e+01 1.28 5.665034358e+01 1.30 5.192879126e+01 1.32 4.753749956e+01 1.34 4.345976405e+01 1.36 3.968289377e+01 1.38 3.618943889e+01 1.40 3.296169013e+01 1.42 2.998450124e+01 1.44 2.724539594e+01 1.46 2.472727174e+01 1.48 2.241567520e+01 1.50 2.029932667e+01 1.52 1.836541339e+01 1.54 1.660058431e+01 1.56 1.499340853e+01 1.58 1.353229525e+01 1.60 1.214964217e+01 1.62 1.090945958e+01 1.64 9.753035034e+00 1.66 8.675677122e+00 1.68 7.653611521e+00 1.70 6.717555140e+00 1.72 5.840648854e+00 1.74 5.022568974e+00 1.76 4.259603603e+00 1.78 3.549048734e+00 1.80 2.888902979e+00 1.82 2.276425050e+00 1.84 1.708976905e+00 1.86 1.183953300e+00 1.88 6.984400649e-01 1.90 2.512968680e-01 1.92 -1.607936201e-01 1.94 -5.396310893e-01 1.96 -8.869226964e-01 1.98 -1.205432654e+00 2.00 -1.496443166e+00 2.02 -1.761231317e+00 2.04 -2.001463389e+00 2.06 -2.218715649e+00 2.08 -2.414504444e+00 2.10 -2.590601018e+00 2.12 -2.746963790e+00 2.14 -2.885042740e+00 2.16 -3.007167100e+00 2.18 -3.114250405e+00 2.20 -3.207291381e+00 2.22 -3.287271649e+00 2.24 -3.355116990e+00 2.26 -3.411699987e+00 2.28 -3.457842560e+00 2.30 -3.494318413e+00 2.32 -3.521855408e+00 2.34 -3.540988036e+00 2.36 -3.552162622e+00 2.38 -3.556369604e+00 2.40 -3.554171652e+00 2.42 -3.546623932e+00 2.44 -3.533649472e+00 2.46 -3.515716065e+00 2.48 -3.493295294e+00 2.50 -3.465658671e+00 2.52 -3.434445888e+00 2.54 -3.400141920e+00 2.56 -3.362837364e+00 2.58 -3.322837139e+00 2.60 -3.281348107e+00 2.62 -3.237958499e+00 2.64 -3.192603271e+00 2.66 -3.145512212e+00 2.68 -3.095998569e+00 2.70 -3.044999228e+00 2.72 -2.992945032e+00 2.74 -2.940010976e+00 2.76 -2.886354323e+00 2.78 -2.832120409e+00 2.80 -2.777443400e+00 2.82 -2.722447032e+00 2.84 -2.667245247e+00 2.86 -2.611942824e+00 2.88 -2.556635957e+00 2.90 -2.501412835e+00 2.92 -2.446354144e+00 2.94 -2.391553664e+00 2.96 -2.338151487e+00 2.98 -2.285049323e+00 3.00 -2.232321092e+00 3.02 -2.180020961e+00 3.04 -2.128500222e+00 3.06 -2.077869837e+00 3.08 -2.027771733e+00 3.10 -1.978230244e+00 3.12 -1.929337222e+00 3.14 -1.881113870e+00 3.16 -1.833283471e+00 3.18 -1.785817555e+00 3.20 -1.738972598e+00 3.22 -1.692848783e+00 3.24 -1.647355737e+00 3.26 -1.602435855e+00 3.28 -1.558231475e+00 3.30 -1.514846809e+00 3.32 -1.472264989e+00 3.34 -1.430470927e+00 3.36 -1.389474920e+00 3.38 -1.349277219e+00 3.40 -1.309869894e+00 3.42 -1.271255566e+00 3.44 -1.233439320e+00 3.46 -1.196400752e+00 3.48 -1.160135134e+00 3.50 -1.124647880e+00 3.52 -1.089941604e+00 3.54 -1.055985069e+00 3.56 -1.022760148e+00 3.58 -9.902781056e-01 3.60 -9.585412814e-01 3.62 -9.275530703e-01 3.64 -8.972708171e-01 3.66 -8.675167811e-01 3.68 -8.383844971e-01 3.70 -8.099387180e-01 3.72 -7.822316986e-01 3.74 -7.553489702e-01 3.76 -7.293526970e-01 3.78 -7.042868765e-01 3.80 -6.803506921e-01 3.82 -6.574316196e-01 3.84 -6.352869083e-01 3.86 -6.136907688e-01 3.88 -5.924075967e-01 3.90 -5.712702550e-01 3.92 -5.501664667e-01 3.94 -5.290272729e-01 3.96 -5.078174866e-01 3.98 -4.865278320e-01 4.00 -4.651685015e-01 4.02 -4.437627765e-01 4.04 -4.222516639e-01 4.06 -4.007136800e-01 4.08 -3.792956670e-01 4.10 -3.581667065e-01 4.12 -3.374629847e-01 4.14 -3.172891078e-01 4.16 -2.979805224e-01 4.18 -2.812815606e-01 4.20 -2.651130886e-01 4.22 -2.495682275e-01 4.24 -2.346545145e-01 4.26 -2.203726313e-01 4.28 -2.067177401e-01 4.30 -1.936806089e-01 4.32 -1.812485547e-01 4.34 -1.694062339e-01 4.36 -1.581363007e-01 4.38 -1.474199542e-01 4.40 -1.372373907e-01 4.42 -1.275681758e-01 4.44 -1.183915487e-01 4.46 -1.096866689e-01 4.48 -1.014328146e-01 4.50 -9.360954127e-02 4.52 -8.619680545e-02 4.54 -7.917506032e-02 4.56 -7.252532785e-02 4.58 -6.622925123e-02 4.60 -6.026913122e-02 4.62 -5.462794925e-02 4.64 -4.928937961e-02 4.66 -4.423779299e-02 4.68 -3.945825293e-02 4.70 -3.493650673e-02 4.72 -3.065897197e-02 4.74 -2.661271972e-02 4.76 -2.278545522e-02 4.78 -1.916549672e-02 4.80 -1.574175310e-02 4.82 -1.325323378e-02 4.84 -1.089651212e-02 4.86 -8.664712202e-03 4.88 -6.551303434e-03 4.90 -4.550085692e-03 4.92 -2.655174708e-03 4.94 -8.609876861e-04 4.96 0.000000000e+00 4.98 0.000000000e+00 5.00 0.000000000e+00 5.02 0.000000000e+00 5.04 0.000000000e+00 5.06 0.000000000e+00 5.08 0.000000000e+00 5.10 0.000000000e+00 5.12 0.000000000e+00 5.14 0.000000000e+00 5.16 0.000000000e+00 5.18 0.000000000e+00 5.20 0.000000000e+00 5.22 0.000000000e+00 5.24 0.000000000e+00 5.26 0.000000000e+00 5.28 0.000000000e+00 5.30 0.000000000e+00 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