# 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 = AgCu2Ni # 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 L2_1--AlCu2Mn--h L2_1--AlCu2Mn--h 0.50 nan nan 0.52 nan nan 0.54 nan nan 0.56 nan nan 0.58 nan nan 0.60 nan nan 0.62 nan nan 0.64 nan nan 0.66 nan nan 0.68 nan nan 0.70 nan nan 0.72 nan nan 0.74 nan nan 0.76 nan nan 0.78 nan nan 0.80 nan nan 0.82 nan nan 0.84 nan nan 0.86 nan nan 0.88 nan nan 0.90 nan nan 0.92 nan nan 0.94 nan nan 0.96 nan nan 0.98 2.254007819e+02 2.254007819e+02 1.00 2.123544694e+02 2.123544694e+02 1.02 2.000329251e+02 2.000329251e+02 1.04 1.883614807e+02 1.883614807e+02 1.06 1.772716407e+02 1.772716407e+02 1.08 1.667252002e+02 1.667252002e+02 1.10 1.566828989e+02 1.566828989e+02 1.12 1.471146527e+02 1.471146527e+02 1.14 1.379907840e+02 1.379907840e+02 1.16 1.293003318e+02 1.293003318e+02 1.18 1.210285684e+02 1.210285684e+02 1.20 1.131640535e+02 1.131640535e+02 1.22 1.056871837e+02 1.056871837e+02 1.24 9.859644240e+01 9.859644240e+01 1.26 9.187838617e+01 9.187838617e+01 1.28 8.552126618e+01 8.552126618e+01 1.30 7.951321697e+01 7.951321697e+01 1.32 7.383979916e+01 7.383979916e+01 1.34 6.849207153e+01 6.849207153e+01 1.36 6.345933617e+01 6.345933617e+01 1.38 5.872792256e+01 5.872792256e+01 1.40 5.428707282e+01 5.428707282e+01 1.42 5.012337284e+01 5.012337284e+01 1.44 4.622376909e+01 4.622376909e+01 1.46 4.257334016e+01 4.257334016e+01 1.48 3.916236608e+01 3.916236608e+01 1.50 3.598211498e+01 3.598211498e+01 1.52 3.302047196e+01 3.302047196e+01 1.54 3.026468866e+01 3.026468866e+01 1.56 2.770465054e+01 2.770465054e+01 1.58 2.532916628e+01 2.532916628e+01 1.60 2.312744624e+01 2.312744624e+01 1.62 2.108772656e+01 2.108772656e+01 1.64 1.920142140e+01 1.920142140e+01 1.66 1.745719693e+01 1.745719693e+01 1.68 1.584643364e+01 1.584643364e+01 1.70 1.436235996e+01 1.436235996e+01 1.72 1.299583507e+01 1.299583507e+01 1.74 1.172337548e+01 1.172337548e+01 1.76 1.054502357e+01 1.054502357e+01 1.78 9.469366304e+00 9.469366304e+00 1.80 8.473196308e+00 8.473196308e+00 1.82 7.521515123e+00 7.521515123e+00 1.84 6.660845102e+00 6.660845102e+00 1.86 5.852822189e+00 5.852822189e+00 1.88 5.094086371e+00 5.094086371e+00 1.90 4.383015399e+00 4.383015399e+00 1.92 3.716500715e+00 3.716500715e+00 1.94 3.091157555e+00 3.091157555e+00 1.96 2.507105518e+00 2.507105518e+00 1.98 1.960714102e+00 1.960714102e+00 2.00 1.451020646e+00 1.451020646e+00 2.02 9.769128877e-01 9.769128877e-01 2.04 5.365522289e-01 5.365522289e-01 2.06 1.285163453e-01 1.285163453e-01 2.08 -2.489641350e-01 -2.489641350e-01 2.10 -5.979670367e-01 -5.979670367e-01 2.12 -9.198358697e-01 -9.198358697e-01 2.14 -1.216028134e+00 -1.216028134e+00 2.16 -1.488324337e+00 -1.488324337e+00 2.18 -1.737744769e+00 -1.737744769e+00 2.20 -1.965472681e+00 -1.965472681e+00 2.22 -2.172803815e+00 -2.172803815e+00 2.24 -2.360876405e+00 -2.360876405e+00 2.26 -2.530589314e+00 -2.530589314e+00 2.28 -2.681843002e+00 -2.681843002e+00 2.30 -2.817242037e+00 -2.817242037e+00 2.32 -2.937753465e+00 -2.937753465e+00 2.34 -3.044044948e+00 -3.044044948e+00 2.36 -3.137262460e+00 -3.137262460e+00 2.38 -3.218235176e+00 -3.218235176e+00 2.40 -3.287754001e+00 -3.287754001e+00 2.42 -3.346771551e+00 -3.346771551e+00 2.44 -3.395786291e+00 -3.395786291e+00 2.46 -3.435473609e+00 -3.435473609e+00 2.48 -3.466581295e+00 -3.466581295e+00 2.50 -3.489402500e+00 -3.489402500e+00 2.52 -3.504846419e+00 -3.504846419e+00 2.54 -3.513510296e+00 -3.513510296e+00 2.56 -3.515754981e+00 -3.515754981e+00 2.58 -3.512008992e+00 -3.512008992e+00 2.60 -3.504023766e+00 -3.504023766e+00 2.62 -3.491277241e+00 -3.491277241e+00 2.64 -3.473812038e+00 -3.473812038e+00 2.66 -3.452025860e+00 -3.452025860e+00 2.68 -3.426292682e+00 -3.426292682e+00 2.70 -3.396963968e+00 -3.396963968e+00 2.72 -3.364377302e+00 -3.364377302e+00 2.74 -3.328496382e+00 -3.328496382e+00 2.76 -3.289795872e+00 -3.289795872e+00 2.78 -3.248735882e+00 -3.248735882e+00 2.80 -3.205580886e+00 -3.205580886e+00 2.82 -3.160453632e+00 -3.160453632e+00 2.84 -3.112091608e+00 -3.112091608e+00 2.86 -3.062303000e+00 -3.062303000e+00 2.88 -3.011346485e+00 -3.011346485e+00 2.90 -2.959401543e+00 -2.959401543e+00 2.92 -2.906702288e+00 -2.906702288e+00 2.94 -2.853317482e+00 -2.853317482e+00 2.96 -2.799682352e+00 -2.799682352e+00 2.98 -2.745602588e+00 -2.745602588e+00 3.00 -2.691199018e+00 -2.691199018e+00 3.02 -2.636585561e+00 -2.636585561e+00 3.04 -2.582200197e+00 -2.582200197e+00 3.06 -2.528243480e+00 -2.528243480e+00 3.08 -2.474327320e+00 -2.474327320e+00 3.10 -2.420537306e+00 -2.420537306e+00 3.12 -2.366949479e+00 -2.366949479e+00 3.14 -2.313633014e+00 -2.313633014e+00 3.16 -2.260651155e+00 -2.260651155e+00 3.18 -2.208061568e+00 -2.208061568e+00 3.20 -2.155916692e+00 -2.155916692e+00 3.22 -2.104264074e+00 -2.104264074e+00 3.24 -2.053146793e+00 -2.053146793e+00 3.26 -2.002603565e+00 -2.002603565e+00 3.28 -1.952669024e+00 -1.952669024e+00 3.30 -1.903372908e+00 -1.903372908e+00 3.32 -1.854744434e+00 -1.854744434e+00 3.34 -1.806827194e+00 -1.806827194e+00 3.36 -1.759568261e+00 -1.759568261e+00 3.38 -1.712944832e+00 -1.712944832e+00 3.40 -1.666836646e+00 -1.666836646e+00 3.42 -1.621234692e+00 -1.621234692e+00 3.44 -1.576285537e+00 -1.576285537e+00 3.46 -1.532146997e+00 -1.532146997e+00 3.48 -1.488834533e+00 -1.488834533e+00 3.50 -1.446334642e+00 -1.446334642e+00 3.52 -1.404646572e+00 -1.404646572e+00 3.54 -1.363775206e+00 -1.363775206e+00 3.56 -1.323717265e+00 -1.323717265e+00 3.58 -1.284472446e+00 -1.284472446e+00 3.60 -1.246037197e+00 -1.246037197e+00 3.62 -1.208404973e+00 -1.208404973e+00 3.64 -1.171573268e+00 -1.171573268e+00 3.66 -1.135537051e+00 -1.135537051e+00 3.68 -1.100288208e+00 -1.100288208e+00 3.70 -1.065818709e+00 -1.065818709e+00 3.72 -1.032119701e+00 -1.032119701e+00 3.74 -9.991771234e-01 -9.991771234e-01 3.76 -9.669796514e-01 -9.669796514e-01 3.78 -9.355174887e-01 -9.355174887e-01 3.80 -9.047798740e-01 -9.047798740e-01 3.82 -8.747683905e-01 -8.747683905e-01 3.84 -8.454166493e-01 -8.454166493e-01 3.86 -8.167272360e-01 -8.167272360e-01 3.88 -7.886881127e-01 -7.886881127e-01 3.90 -7.612553752e-01 -7.612553752e-01 3.92 -7.344699721e-01 -7.344699721e-01 3.94 -7.084479986e-01 -7.084479986e-01 3.96 -6.833004097e-01 -6.833004097e-01 3.98 -6.591466488e-01 -6.591466488e-01 4.00 -6.358937871e-01 -6.358937871e-01 4.02 -6.134838831e-01 -6.134838831e-01 4.04 -5.919058727e-01 -5.919058727e-01 4.06 -5.710067024e-01 -5.710067024e-01 4.08 -5.505177876e-01 -5.505177876e-01 4.10 -5.302111051e-01 -5.302111051e-01 4.12 -5.099284133e-01 -5.099284133e-01 4.14 -4.895686688e-01 -4.895686688e-01 4.16 -4.691313805e-01 -4.691313805e-01 4.18 -4.489255298e-01 -4.489255298e-01 4.20 -4.285676247e-01 -4.285676247e-01 4.22 -4.081525961e-01 -4.081525961e-01 4.24 -3.877578661e-01 -3.877578661e-01 4.26 -3.674276012e-01 -3.674276012e-01 4.28 -3.471662204e-01 -3.471662204e-01 4.30 -3.281057288e-01 -3.281057288e-01 4.32 -3.097866274e-01 -3.097866274e-01 4.34 -2.918575356e-01 -2.918575356e-01 4.36 -2.744113909e-01 -2.744113909e-01 4.38 -2.575099686e-01 -2.575099686e-01 4.40 -2.411975153e-01 -2.411975153e-01 4.42 -2.255038627e-01 -2.255038627e-01 4.44 -2.104470379e-01 -2.104470379e-01 4.46 -1.960354663e-01 -1.960354663e-01 4.48 -1.822698356e-01 -1.822698356e-01 4.50 -1.691446459e-01 -1.691446459e-01 4.52 -1.566495154e-01 -1.566495154e-01 4.54 -1.447702698e-01 -1.447702698e-01 4.56 -1.334898522e-01 -1.334898522e-01 4.58 -1.227890741e-01 -1.227890741e-01 4.60 -1.126472319e-01 -1.126472319e-01 4.62 -1.030426170e-01 -1.030426170e-01 4.64 -9.395293090e-02 -9.395293090e-02 4.66 -8.535562378e-02 -8.535562378e-02 4.68 -7.722816195e-02 -7.722816195e-02 4.70 -6.954824283e-02 -6.954824283e-02 4.72 -6.229396237e-02 -6.229396237e-02 4.74 -5.544394459e-02 -5.544394459e-02 4.76 -4.897744246e-02 -4.897744246e-02 4.78 -4.287672056e-02 -4.287672056e-02 4.80 -3.712179321e-02 -3.712179321e-02 4.82 -3.233306869e-02 -3.233306869e-02 4.84 -2.785249243e-02 -2.785249243e-02 4.86 -2.362199505e-02 -2.362199505e-02 4.88 -1.962808467e-02 -1.962808467e-02 4.90 -1.585785869e-02 -1.585785869e-02 4.92 -1.229822579e-02 -1.229822579e-02 4.94 -8.841092633e-03 -8.841092633e-03 4.96 -6.966027148e-03 -6.966027148e-03 4.98 -6.549568482e-03 -6.549568482e-03 5.00 -6.068603470e-03 -6.068603470e-03 5.02 -5.616196818e-03 -5.616196818e-03 5.04 -5.191339677e-03 -5.191339677e-03 5.06 -4.792392928e-03 -4.792392928e-03 5.08 -4.417812758e-03 -4.417812758e-03 5.10 -4.066145255e-03 -4.066145255e-03 5.12 -3.736021324e-03 -3.736021324e-03 5.14 -3.426151832e-03 -3.426151832e-03 5.16 -3.135323009e-03 -3.135323009e-03 5.18 -2.862392139e-03 -2.862392139e-03 5.20 -2.606283500e-03 -2.606283500e-03 5.22 -2.365984543e-03 -2.365984543e-03 5.24 -2.140542229e-03 -2.140542229e-03 5.26 -1.929059602e-03 -1.929059602e-03 5.28 -1.730692560e-03 -1.730692560e-03 5.30 -1.544646825e-03 -1.544646825e-03 5.32 -1.370175074e-03 -1.370175074e-03 5.34 -1.206574201e-03 -1.206574201e-03 5.36 -1.053182760e-03 -1.053182760e-03 5.38 -9.093785592e-04 -9.093785592e-04 5.40 -7.745764051e-04 -7.745764051e-04 5.42 -6.482259389e-04 -6.482259389e-04 5.44 -5.298096065e-04 -5.298096065e-04 5.46 -4.188407516e-04 -4.188407516e-04 5.48 -3.148618248e-04 -3.148618248e-04 5.50 -2.174426945e-04 -2.174426945e-04 5.52 -1.261790316e-04 -1.261790316e-04 5.54 -4.014389261e-05 -4.014389261e-05 5.56 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00