# 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 = AgCu2 # 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 1.711521371e+02 1.16 1.573163520e+02 1.18 1.446267193e+02 1.20 1.329789190e+02 1.22 1.222788862e+02 1.24 1.124422946e+02 1.26 1.033942683e+02 1.28 9.506820872e+01 1.30 8.740352926e+01 1.32 8.034433727e+01 1.34 7.383953149e+01 1.36 6.784284515e+01 1.38 6.231236029e+01 1.40 5.721010389e+01 1.42 5.250197126e+01 1.44 4.815878120e+01 1.46 4.415209783e+01 1.48 4.045488073e+01 1.50 3.704199744e+01 1.52 3.389045989e+01 1.54 3.097939440e+01 1.56 2.828966879e+01 1.58 2.580358881e+01 1.60 2.350498793e+01 1.62 2.137951732e+01 1.64 1.941467294e+01 1.66 1.759937964e+01 1.68 1.592336942e+01 1.70 1.437668691e+01 1.72 1.294948887e+01 1.74 1.163213329e+01 1.76 1.041545182e+01 1.78 9.291043075e+00 1.80 8.251444537e+00 1.82 7.290136020e+00 1.84 6.401412348e+00 1.86 5.580194736e+00 1.88 4.821846805e+00 1.90 4.122039949e+00 1.92 3.476685075e+00 1.94 2.881924174e+00 1.96 2.334157920e+00 1.98 1.830077447e+00 2.00 1.366675456e+00 2.02 9.412291397e-01 2.04 5.512606493e-01 2.06 1.944849129e-01 2.08 -1.312442973e-01 2.10 -4.279788247e-01 2.12 -6.977039886e-01 2.14 -9.423503517e-01 2.16 -1.163795056e+00 2.18 -1.363857894e+00 2.20 -1.544293469e+00 2.22 -1.706778483e+00 2.24 -1.852895006e+00 2.26 -1.984115066e+00 2.28 -2.101793640e+00 2.30 -2.207618650e+00 2.32 -2.302788211e+00 2.34 -2.387629548e+00 2.36 -2.462532505e+00 2.38 -2.527905074e+00 2.40 -2.584137631e+00 2.42 -2.631586831e+00 2.44 -2.670577912e+00 2.46 -2.701459408e+00 2.48 -2.724729454e+00 2.50 -2.740755816e+00 2.52 -2.749777072e+00 2.54 -2.752078255e+00 2.56 -2.747990598e+00 2.58 -2.737892713e+00 2.60 -2.722211246e+00 2.62 -2.701419122e+00 2.64 -2.676032188e+00 2.66 -2.646607422e+00 2.68 -2.613725328e+00 2.70 -2.577973962e+00 2.72 -2.539931641e+00 2.74 -2.500143849e+00 2.76 -2.459096357e+00 2.78 -2.417190277e+00 2.80 -2.374726203e+00 2.82 -2.331902281e+00 2.84 -2.288826380e+00 2.86 -2.245538220e+00 2.88 -2.202035383e+00 2.90 -2.158297800e+00 2.92 -2.114307362e+00 2.94 -2.070061478e+00 2.96 -2.025580954e+00 2.98 -1.980913247e+00 3.00 -1.936132215e+00 3.02 -1.891335158e+00 3.04 -1.846637645e+00 3.06 -1.802166474e+00 3.08 -1.758051259e+00 3.10 -1.714415496e+00 3.12 -1.671368289e+00 3.14 -1.628997955e+00 3.16 -1.587368385e+00 3.18 -1.546518432e+00 3.20 -1.506463953e+00 3.22 -1.467201693e+00 3.24 -1.428714077e+00 3.26 -1.390974120e+00 3.28 -1.353949882e+00 3.30 -1.317608181e+00 3.32 -1.281917437e+00 3.34 -1.246849633e+00 3.36 -1.212381457e+00 3.38 -1.178494708e+00 3.40 -1.145176070e+00 3.42 -1.112416407e+00 3.44 -1.080209702e+00 3.46 -1.048551822e+00 3.48 -1.017439229e+00 3.50 -9.868677961e-01 3.52 -9.568318047e-01 3.54 -9.273232220e-01 3.56 -8.983313015e-01 3.58 -8.698425482e-01 3.60 -8.418410694e-01 3.62 -8.143093280e-01 3.64 -7.872292975e-01 3.66 -7.605840025e-01 3.68 -7.343593942e-01 3.70 -7.085464589e-01 3.72 -6.831433939e-01 3.74 -6.581576098e-01 3.76 -6.336072517e-01 3.78 -6.095218992e-01 3.80 -5.859421338e-01 3.82 -5.629177724e-01 3.84 -5.405047589e-01 3.86 -5.187609560e-01 3.88 -4.977413155e-01 3.90 -4.774930758e-01 3.92 -4.580516528e-01 3.94 -4.394377736e-01 3.96 -4.216561501e-01 3.98 -4.046957059e-01 4.00 -3.885311139e-01 4.02 -3.731252420e-01 4.04 -3.584320563e-01 4.06 -3.443995796e-01 4.08 -3.309726063e-01 4.10 -3.180950020e-01 4.12 -3.057115336e-01 4.14 -2.937692328e-01 4.16 -2.822183973e-01 4.18 -2.710133047e-01 4.20 -2.601127465e-01 4.22 -2.494804646e-01 4.24 -2.390855506e-01 4.26 -2.289028407e-01 4.28 -2.189133060e-01 4.30 -2.091044106e-01 4.32 -1.994703779e-01 4.34 -1.900122893e-01 4.36 -1.807379273e-01 4.38 -1.716612820e-01 4.40 -1.628016675e-01 4.42 -1.541824366e-01 4.44 -1.458293426e-01 4.46 -1.377686571e-01 4.48 -1.300252027e-01 4.50 -1.226204898e-01 4.52 -1.155711411e-01 4.54 -1.088877507e-01 4.56 -1.025742669e-01 4.58 -9.662791050e-02 4.60 -9.103958124e-02 4.62 -8.579464770e-02 4.64 -8.087399394e-02 4.66 -7.625519294e-02 4.68 -7.191369834e-02 4.70 -6.782396121e-02 4.72 -6.396009080e-02 4.74 -6.029739290e-02 4.76 -5.681291952e-02 4.78 -5.348558765e-02 4.80 -5.029664010e-02 4.82 -4.722996678e-02 4.84 -4.427229801e-02 4.86 -4.141330341e-02 4.88 -3.864559245e-02 4.90 -3.596462496e-02 4.92 -3.336853073e-02 4.94 -3.085783710e-02 4.96 -2.843510742e-02 4.98 -2.610450096e-02 5.00 -2.387127014e-02 5.02 -2.174122131e-02 5.04 -1.972017168e-02 5.06 -1.781343816e-02 5.08 -1.602527887e-02 5.10 -1.435857073e-02 5.12 -1.281502257e-02 5.14 -1.139467245e-02 5.16 -1.009587908e-02 5.18 -8.915435869e-03 5.20 -7.848764386e-03 5.22 -6.890160180e-03 5.24 -6.033064353e-03 5.26 -5.270337393e-03 5.28 -4.594516706e-03 5.30 -3.998044915e-03 5.32 -3.473461446e-03 5.34 -3.013554593e-03 5.36 -2.611474880e-03 5.38 -2.260813000e-03 5.40 -1.955647072e-03 5.42 -1.690564583e-03 5.44 -1.460664378e-03 5.46 -1.261543684e-03 5.48 -1.089274528e-03 5.50 -9.403731812e-04 5.52 -8.117655658e-04 5.54 -7.007508747e-04 5.56 -6.049650778e-04 5.58 -5.223455032e-04 5.60 -4.510972883e-04 5.62 -3.896621855e-04 5.64 -3.366899803e-04 5.66 -2.910126059e-04 5.68 -2.516209247e-04 5.70 -2.176440607e-04 5.72 -1.883311242e-04 5.74 -1.630351358e-04 5.76 -1.411989504e-04 5.78 -1.223429760e-04 5.80 -1.060544950e-04 5.82 -9.197840039e-05 5.84 -7.980917846e-05 5.86 -6.928398228e-05 5.88 -6.017665655e-05 5.90 -5.229258952e-05 5.92 -4.546428178e-05 5.94 -3.954753519e-05 5.96 -3.441817706e-05 5.98 -2.996924586e-05 6.00 -2.610857415e-05