# 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 = AgAuNi2 # 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 5.152630986e+02 5.152630986e+02 1.00 4.689695105e+02 4.689695105e+02 1.02 4.271646378e+02 4.271646378e+02 1.04 3.893921824e+02 3.893921824e+02 1.06 3.552446607e+02 3.552446607e+02 1.08 3.243550367e+02 3.243550367e+02 1.10 2.963940367e+02 2.963940367e+02 1.12 2.710640063e+02 2.710640063e+02 1.14 2.481011949e+02 2.481011949e+02 1.16 2.272712349e+02 2.272712349e+02 1.18 2.083577407e+02 2.083577407e+02 1.20 1.911720888e+02 1.911720888e+02 1.22 1.755417077e+02 1.755417077e+02 1.24 1.613128986e+02 1.613128986e+02 1.26 1.483446672e+02 1.483446672e+02 1.28 1.365112889e+02 1.365112889e+02 1.30 1.257043365e+02 1.257043365e+02 1.32 1.158230936e+02 1.158230936e+02 1.34 1.067765941e+02 1.067765941e+02 1.36 9.848572454e+01 9.848572454e+01 1.38 9.087924202e+01 9.087924202e+01 1.40 8.389031275e+01 8.389031275e+01 1.42 7.746207947e+01 7.746207947e+01 1.44 7.154429213e+01 7.154429213e+01 1.46 6.609055524e+01 6.609055524e+01 1.48 6.105808885e+01 6.105808885e+01 1.50 5.641016403e+01 5.641016403e+01 1.52 5.211401961e+01 5.211401961e+01 1.54 4.813925844e+01 4.813925844e+01 1.56 4.445886790e+01 4.445886790e+01 1.58 4.104839089e+01 4.104839089e+01 1.60 3.788578699e+01 3.788578699e+01 1.62 3.495009281e+01 3.495009281e+01 1.64 3.222366460e+01 3.222366460e+01 1.66 2.969097439e+01 2.969097439e+01 1.68 2.733750240e+01 2.733750240e+01 1.70 2.514944833e+01 2.514944833e+01 1.72 2.311300017e+01 2.311300017e+01 1.74 2.121925398e+01 2.121925398e+01 1.76 1.945795604e+01 1.945795604e+01 1.78 1.781972486e+01 1.781972486e+01 1.80 1.629595532e+01 1.629595532e+01 1.82 1.486236441e+01 1.486236441e+01 1.84 1.354471368e+01 1.354471368e+01 1.86 1.231854697e+01 1.231854697e+01 1.88 1.113445065e+01 1.113445065e+01 1.90 1.004604517e+01 1.004604517e+01 1.92 9.009536123e+00 9.009536123e+00 1.94 8.024614803e+00 8.024614803e+00 1.96 7.090821013e+00 7.090821013e+00 1.98 6.207199294e+00 6.207199294e+00 2.00 5.372861241e+00 5.372861241e+00 2.02 4.586678817e+00 4.586678817e+00 2.04 3.847387682e+00 3.847387682e+00 2.06 3.153621624e+00 3.153621624e+00 2.08 2.503906606e+00 2.503906606e+00 2.10 1.896429798e+00 1.896429798e+00 2.12 1.330020566e+00 1.330020566e+00 2.14 8.030785517e-01 8.030785517e-01 2.16 3.151140224e-01 3.151140224e-01 2.18 -1.367482130e-01 -1.367482130e-01 2.20 -5.541583101e-01 -5.541583101e-01 2.22 -9.388861365e-01 -9.388861365e-01 2.24 -1.292323823e+00 -1.292323823e+00 2.26 -1.615935646e+00 -1.615935646e+00 2.28 -1.911239310e+00 -1.911239310e+00 2.30 -2.179721019e+00 -2.179721019e+00 2.32 -2.422832153e+00 -2.422832153e+00 2.34 -2.641954851e+00 -2.641954851e+00 2.36 -2.838434739e+00 -2.838434739e+00 2.38 -3.013676775e+00 -3.013676775e+00 2.40 -3.168587509e+00 -3.168587509e+00 2.42 -3.304940193e+00 -3.304940193e+00 2.44 -3.423801500e+00 -3.423801500e+00 2.46 -3.526314898e+00 -3.526314898e+00 2.48 -3.613588944e+00 -3.613588944e+00 2.50 -3.686686547e+00 -3.686686547e+00 2.52 -3.747227090e+00 -3.747227090e+00 2.54 -3.795879021e+00 -3.795879021e+00 2.56 -3.833252623e+00 -3.833252623e+00 2.58 -3.860218865e+00 -3.860218865e+00 2.60 -3.877603593e+00 -3.877603593e+00 2.62 -3.886185449e+00 -3.886185449e+00 2.64 -3.886627601e+00 -3.886627601e+00 2.66 -3.879616245e+00 -3.879616245e+00 2.68 -3.865894403e+00 -3.865894403e+00 2.70 -3.846073269e+00 -3.846073269e+00 2.72 -3.820725653e+00 -3.820725653e+00 2.74 -3.790386535e+00 -3.790386535e+00 2.76 -3.755554688e+00 -3.755554688e+00 2.78 -3.716658239e+00 -3.716658239e+00 2.80 -3.673266786e+00 -3.673266786e+00 2.82 -3.626732805e+00 -3.626732805e+00 2.84 -3.577421075e+00 -3.577421075e+00 2.86 -3.525669798e+00 -3.525669798e+00 2.88 -3.471791099e+00 -3.471791099e+00 2.90 -3.416094596e+00 -3.416094596e+00 2.92 -3.359058968e+00 -3.359058968e+00 2.94 -3.300691587e+00 -3.300691587e+00 2.96 -3.241784781e+00 -3.241784781e+00 2.98 -3.181942418e+00 -3.181942418e+00 3.00 -3.121023459e+00 -3.121023459e+00 3.02 -3.059513738e+00 -3.059513738e+00 3.04 -2.997585685e+00 -2.997585685e+00 3.06 -2.935335167e+00 -2.935335167e+00 3.08 -2.872965335e+00 -2.872965335e+00 3.10 -2.810609593e+00 -2.810609593e+00 3.12 -2.748377120e+00 -2.748377120e+00 3.14 -2.686367533e+00 -2.686367533e+00 3.16 -2.624670973e+00 -2.624670973e+00 3.18 -2.563368845e+00 -2.563368845e+00 3.20 -2.502534501e+00 -2.502534501e+00 3.22 -2.442233808e+00 -2.442233808e+00 3.24 -2.382525711e+00 -2.382525711e+00 3.26 -2.323462908e+00 -2.323462908e+00 3.28 -2.265092505e+00 -2.265092505e+00 3.30 -2.207455783e+00 -2.207455783e+00 3.32 -2.150589135e+00 -2.150589135e+00 3.34 -2.094524902e+00 -2.094524902e+00 3.36 -2.039290552e+00 -2.039290552e+00 3.38 -1.984909762e+00 -1.984909762e+00 3.40 -1.931412009e+00 -1.931412009e+00 3.42 -1.879101972e+00 -1.879101972e+00 3.44 -1.827684177e+00 -1.827684177e+00 3.46 -1.776925331e+00 -1.776925331e+00 3.48 -1.726853376e+00 -1.726853376e+00 3.50 -1.677696683e+00 -1.677696683e+00 3.52 -1.629516783e+00 -1.629516783e+00 3.54 -1.582285154e+00 -1.582285154e+00 3.56 -1.535975549e+00 -1.535975549e+00 3.58 -1.490573313e+00 -1.490573313e+00 3.60 -1.446077069e+00 -1.446077069e+00 3.62 -1.402494126e+00 -1.402494126e+00 3.64 -1.359828161e+00 -1.359828161e+00 3.66 -1.318088554e+00 -1.318088554e+00 3.68 -1.277253788e+00 -1.277253788e+00 3.70 -1.237313017e+00 -1.237313017e+00 3.72 -1.198265011e+00 -1.198265011e+00 3.74 -1.160111328e+00 -1.160111328e+00 3.76 -1.122834838e+00 -1.122834838e+00 3.78 -1.086371003e+00 -1.086371003e+00 3.80 -1.050654723e+00 -1.050654723e+00 3.82 -1.015714441e+00 -1.015714441e+00 3.84 -9.816545885e-01 -9.816545885e-01 3.86 -9.485727733e-01 -9.485727733e-01 3.88 -9.165392842e-01 -9.165392842e-01 3.90 -8.856527931e-01 -8.856527931e-01 3.92 -8.558708385e-01 -8.558708385e-01 3.94 -8.270342256e-01 -8.270342256e-01 3.96 -7.989461524e-01 -7.989461524e-01 3.98 -7.714428944e-01 -7.714428944e-01 4.00 -7.444171650e-01 -7.444171650e-01 4.02 -7.178047327e-01 -7.178047327e-01 4.04 -6.915736293e-01 -6.915736293e-01 4.06 -6.657744160e-01 -6.657744160e-01 4.08 -6.404882303e-01 -6.404882303e-01 4.10 -6.154874910e-01 -6.154874910e-01 4.12 -5.905676034e-01 -5.905676034e-01 4.14 -5.656257351e-01 -5.656257351e-01 4.16 -5.407709072e-01 -5.407709072e-01 4.18 -5.168046157e-01 -5.168046157e-01 4.20 -4.930196530e-01 -4.930196530e-01 4.22 -4.695167184e-01 -4.695167184e-01 4.24 -4.463666635e-01 -4.463666635e-01 4.26 -4.236298254e-01 -4.236298254e-01 4.28 -4.013569035e-01 -4.013569035e-01 4.30 -3.795658826e-01 -3.795658826e-01 4.32 -3.582454357e-01 -3.582454357e-01 4.34 -3.374998162e-01 -3.374998162e-01 4.36 -3.174147084e-01 -3.174147084e-01 4.38 -2.980510317e-01 -2.980510317e-01 4.40 -2.794495099e-01 -2.794495099e-01 4.42 -2.616345037e-01 -2.616345037e-01 4.44 -2.446172023e-01 -2.446172023e-01 4.46 -2.283982908e-01 -2.283982908e-01 4.48 -2.129701720e-01 -2.129701720e-01 4.50 -1.983188014e-01 -1.983188014e-01 4.52 -1.844252016e-01 -1.844252016e-01 4.54 -1.712667115e-01 -1.712667115e-01 4.56 -1.588180147e-01 -1.588180147e-01 4.58 -1.470519682e-01 -1.470519682e-01 4.60 -1.359402774e-01 -1.359402774e-01 4.62 -1.254540405e-01 -1.254540405e-01 4.64 -1.155641842e-01 -1.155641842e-01 4.66 -1.062418027e-01 -1.062418027e-01 4.68 -9.745842451e-02 -9.745842451e-02 4.70 -8.918622031e-02 -8.918622031e-02 4.72 -8.139815289e-02 -8.139815289e-02 4.74 -7.406808947e-02 -7.406808947e-02 4.76 -6.717087997e-02 -6.717087997e-02 4.78 -6.068970512e-02 -6.068970512e-02 4.80 -5.460029281e-02 -5.460029281e-02 4.82 -5.086264353e-02 -5.086264353e-02 4.84 -4.746185304e-02 -4.746185304e-02 4.86 -4.426049120e-02 -4.426049120e-02 4.88 -4.124764482e-02 -4.124764482e-02 4.90 -3.841276494e-02 -3.841276494e-02 4.92 -3.574580678e-02 -3.574580678e-02 4.94 -3.323722186e-02 -3.323722186e-02 4.96 -3.087794623e-02 -3.087794623e-02 4.98 -2.865938654e-02 -2.865938654e-02 5.00 -2.657340430e-02 -2.657340430e-02 5.02 -2.461229904e-02 -2.461229904e-02 5.04 -2.276879065e-02 -2.276879065e-02 5.06 -2.103600097e-02 -2.103600097e-02 5.08 -1.940743542e-02 -1.940743542e-02 5.10 -1.787696481e-02 -1.787696481e-02 5.12 -1.643880743e-02 -1.643880743e-02 5.14 -1.508751137e-02 -1.508751137e-02 5.16 -1.381793729e-02 -1.381793729e-02 5.18 -1.262524185e-02 -1.262524185e-02 5.20 -1.150486180e-02 -1.150486180e-02 5.22 -1.045249875e-02 -1.045249875e-02 5.24 -9.464104456e-03 -9.464104456e-03 5.26 -8.535866743e-03 -8.535866743e-03 5.28 -7.664196271e-03 -7.664196271e-03 5.30 -6.845713953e-03 -6.845713953e-03 5.32 -6.077238964e-03 -6.077238964e-03 5.34 -5.355777294e-03 -5.355777294e-03 5.36 -4.678510995e-03 -4.678510995e-03 5.38 -4.042788036e-03 -4.042788036e-03 5.40 -3.446112759e-03 -3.446112759e-03 5.42 -2.886136761e-03 -2.886136761e-03 5.44 -2.360650288e-03 -2.360650288e-03 5.46 -1.867574180e-03 -1.867574180e-03 5.48 -1.404952278e-03 -1.404952278e-03 5.50 -9.709442906e-04 -9.709442906e-04 5.52 -5.638189629e-04 -5.638189629e-04 5.54 -1.794998132e-04 -1.794998132e-04 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 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