# 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 = AgAuCu2 # 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 3.992956003e+02 3.992956003e+02 1.00 3.647561485e+02 3.647561485e+02 1.02 3.335446300e+02 3.335446300e+02 1.04 3.053143031e+02 3.053143031e+02 1.06 2.797490135e+02 2.797490135e+02 1.08 2.565806490e+02 2.565806490e+02 1.10 2.355648746e+02 2.355648746e+02 1.12 2.164803977e+02 2.164803977e+02 1.14 1.991286958e+02 1.991286958e+02 1.16 1.833333400e+02 1.833333400e+02 1.18 1.689410878e+02 1.689410878e+02 1.20 1.558118339e+02 1.558118339e+02 1.22 1.438186954e+02 1.438186954e+02 1.24 1.328532714e+02 1.328532714e+02 1.26 1.228132792e+02 1.228132792e+02 1.28 1.136096641e+02 1.136096641e+02 1.30 1.051610360e+02 1.051610360e+02 1.32 9.739402869e+01 9.739402869e+01 1.34 9.024647945e+01 9.024647945e+01 1.36 8.365940664e+01 8.365940664e+01 1.38 7.758018850e+01 7.758018850e+01 1.40 7.196526749e+01 7.196526749e+01 1.42 6.677288628e+01 6.677288628e+01 1.44 6.196356441e+01 6.196356441e+01 1.46 5.750322997e+01 5.750322997e+01 1.48 5.336356490e+01 5.336356490e+01 1.50 4.951892621e+01 4.951892621e+01 1.52 4.594472904e+01 4.594472904e+01 1.54 4.261812475e+01 4.261812475e+01 1.56 3.952068359e+01 3.952068359e+01 1.58 3.663448479e+01 3.663448479e+01 1.60 3.394333299e+01 3.394333299e+01 1.62 3.143223431e+01 3.143223431e+01 1.64 2.908760100e+01 2.908760100e+01 1.66 2.689724932e+01 2.689724932e+01 1.68 2.485040023e+01 2.485040023e+01 1.70 2.293763291e+01 2.293763291e+01 1.72 2.114964329e+01 2.114964329e+01 1.74 1.947803762e+01 1.947803762e+01 1.76 1.789809642e+01 1.789809642e+01 1.78 1.643388903e+01 1.643388903e+01 1.80 1.506512583e+01 1.506512583e+01 1.82 1.378585586e+01 1.378585586e+01 1.84 1.259057583e+01 1.259057583e+01 1.86 1.144378599e+01 1.144378599e+01 1.88 1.039113436e+01 1.039113436e+01 1.90 9.392064283e+00 9.392064283e+00 1.92 8.444237470e+00 8.444237470e+00 1.94 7.544389825e+00 7.544389825e+00 1.96 6.692945839e+00 6.692945839e+00 1.98 5.887588807e+00 5.887588807e+00 2.00 5.127225653e+00 5.127225653e+00 2.02 4.410729895e+00 4.410729895e+00 2.04 3.736672465e+00 3.736672465e+00 2.06 3.103632227e+00 3.103632227e+00 2.08 2.510186702e+00 2.510186702e+00 2.10 1.954907773e+00 1.954907773e+00 2.12 1.436360839e+00 1.436360839e+00 2.14 9.531135066e-01 9.531135066e-01 2.16 5.032739045e-01 5.032739045e-01 2.18 8.573997563e-02 8.573997563e-02 2.20 -3.007520227e-01 -3.007520227e-01 2.22 -6.577864301e-01 -6.577864301e-01 2.24 -9.866405406e-01 -9.866405406e-01 2.26 -1.288641551e+00 -1.288641551e+00 2.28 -1.564556702e+00 -1.564556702e+00 2.30 -1.815367472e+00 -1.815367472e+00 2.32 -2.043481011e+00 -2.043481011e+00 2.34 -2.250160415e+00 -2.250160415e+00 2.36 -2.436545254e+00 -2.436545254e+00 2.38 -2.603801364e+00 -2.603801364e+00 2.40 -2.753107615e+00 -2.753107615e+00 2.42 -2.885607128e+00 -2.885607128e+00 2.44 -3.002308010e+00 -3.002308010e+00 2.46 -3.104210820e+00 -3.104210820e+00 2.48 -3.192385967e+00 -3.192385967e+00 2.50 -3.267983217e+00 -3.267983217e+00 2.52 -3.331004656e+00 -3.331004656e+00 2.54 -3.382666725e+00 -3.382666725e+00 2.56 -3.423982910e+00 -3.423982910e+00 2.58 -3.455678892e+00 -3.455678892e+00 2.60 -3.479763930e+00 -3.479763930e+00 2.62 -3.495971067e+00 -3.495971067e+00 2.64 -3.504494901e+00 -3.504494901e+00 2.66 -3.506027582e+00 -3.506027582e+00 2.68 -3.501156520e+00 -3.501156520e+00 2.70 -3.490419220e+00 -3.490419220e+00 2.72 -3.474321043e+00 -3.474321043e+00 2.74 -3.453336467e+00 -3.453336467e+00 2.76 -3.427910394e+00 -3.427910394e+00 2.78 -3.398486004e+00 -3.398486004e+00 2.80 -3.365501388e+00 -3.365501388e+00 2.82 -3.329238532e+00 -3.329238532e+00 2.84 -3.290035555e+00 -3.290035555e+00 2.86 -3.248140654e+00 -3.248140654e+00 2.88 -3.202468903e+00 -3.202468903e+00 2.90 -3.154753594e+00 -3.154753594e+00 2.92 -3.105542268e+00 -3.105542268e+00 2.94 -3.054828637e+00 -3.054828637e+00 2.96 -3.002828020e+00 -3.002828020e+00 2.98 -2.949739696e+00 -2.949739696e+00 3.00 -2.895747136e+00 -2.895747136e+00 3.02 -2.840996321e+00 -2.840996321e+00 3.04 -2.785756048e+00 -2.785756048e+00 3.06 -2.730565790e+00 -2.730565790e+00 3.08 -2.675032275e+00 -2.675032275e+00 3.10 -2.619243558e+00 -2.619243558e+00 3.12 -2.563352002e+00 -2.563352002e+00 3.14 -2.507490708e+00 -2.507490708e+00 3.16 -2.451749665e+00 -2.451749665e+00 3.18 -2.396215489e+00 -2.396215489e+00 3.20 -2.340966644e+00 -2.340966644e+00 3.22 -2.286074418e+00 -2.286074418e+00 3.24 -2.231603460e+00 -2.231603460e+00 3.26 -2.177612163e+00 -2.177612163e+00 3.28 -2.124153092e+00 -2.124153092e+00 3.30 -2.071273521e+00 -2.071273521e+00 3.32 -2.019015794e+00 -2.019015794e+00 3.34 -1.967417297e+00 -1.967417297e+00 3.36 -1.916511533e+00 -1.916511533e+00 3.38 -1.866325639e+00 -1.866325639e+00 3.40 -1.816907575e+00 -1.816907575e+00 3.42 -1.768507932e+00 -1.768507932e+00 3.44 -1.720837765e+00 -1.720837765e+00 3.46 -1.673867687e+00 -1.673867687e+00 3.48 -1.627491688e+00 -1.627491688e+00 3.50 -1.581707825e+00 -1.581707825e+00 3.52 -1.536724914e+00 -1.536724914e+00 3.54 -1.492641270e+00 -1.492641270e+00 3.56 -1.449425663e+00 -1.449425663e+00 3.58 -1.407061796e+00 -1.407061796e+00 3.60 -1.365558611e+00 -1.365558611e+00 3.62 -1.324921693e+00 -1.324921693e+00 3.64 -1.285151679e+00 -1.285151679e+00 3.66 -1.246231341e+00 -1.246231341e+00 3.68 -1.208141879e+00 -1.208141879e+00 3.70 -1.170868609e+00 -1.170868609e+00 3.72 -1.134406848e+00 -1.134406848e+00 3.74 -1.098758358e+00 -1.098758358e+00 3.76 -1.063920521e+00 -1.063920521e+00 3.78 -1.029890563e+00 -1.029890563e+00 3.80 -9.966582137e-01 -9.966582137e-01 3.82 -9.642080326e-01 -9.642080326e-01 3.84 -9.325256362e-01 -9.325256362e-01 3.86 -9.016032745e-01 -9.016032745e-01 3.88 -8.714490060e-01 -8.714490060e-01 3.90 -8.420426195e-01 -8.420426195e-01 3.92 -8.133018696e-01 -8.133018696e-01 3.94 -7.851405453e-01 -7.851405453e-01 3.96 -7.575943488e-01 -7.575943488e-01 3.98 -7.307883095e-01 -7.307883095e-01 4.00 -7.048202561e-01 -7.048202561e-01 4.02 -6.797606115e-01 -6.797606115e-01 4.04 -6.556649449e-01 -6.556649449e-01 4.06 -6.326324749e-01 -6.326324749e-01 4.08 -6.107211331e-01 -6.107211331e-01 4.10 -5.897242091e-01 -5.897242091e-01 4.12 -5.692965743e-01 -5.692965743e-01 4.14 -5.491786728e-01 -5.491786728e-01 4.16 -5.291859922e-01 -5.291859922e-01 4.18 -5.091939845e-01 -5.091939845e-01 4.20 -4.891255278e-01 -4.891255278e-01 4.22 -4.689405249e-01 -4.689405249e-01 4.24 -4.486273282e-01 -4.486273282e-01 4.26 -4.281953676e-01 -4.281953676e-01 4.28 -4.076205361e-01 -4.076205361e-01 4.30 -3.877472120e-01 -3.877472120e-01 4.32 -3.681908052e-01 -3.681908052e-01 4.34 -3.487639345e-01 -3.487639345e-01 4.36 -3.296278885e-01 -3.296278885e-01 4.38 -3.109017734e-01 -3.109017734e-01 4.40 -2.926765286e-01 -2.926765286e-01 4.42 -2.750197653e-01 -2.750197653e-01 4.44 -2.579798459e-01 -2.579798459e-01 4.46 -2.415893277e-01 -2.415893277e-01 4.48 -2.258678763e-01 -2.258678763e-01 4.50 -2.108247007e-01 -2.108247007e-01 4.52 -1.964606071e-01 -1.964606071e-01 4.54 -1.827697157e-01 -1.827697157e-01 4.56 -1.697408953e-01 -1.697408953e-01 4.58 -1.573589580e-01 -1.573589580e-01 4.60 -1.456056432e-01 -1.456056432e-01 4.62 -1.344604360e-01 -1.344604360e-01 4.64 -1.239012360e-01 -1.239012360e-01 4.66 -1.139049102e-01 -1.139049102e-01 4.68 -1.044477344e-01 -1.044477344e-01 4.70 -9.550575173e-02 -9.550575173e-02 4.72 -8.705505922e-02 -8.705505922e-02 4.74 -7.907203372e-02 -7.907203372e-02 4.76 -7.153351103e-02 -7.153351103e-02 4.78 -6.441691633e-02 -6.441691633e-02 4.80 -5.769238976e-02 -5.769238976e-02 4.82 -5.158216876e-02 -5.158216876e-02 4.84 -4.590526789e-02 -4.590526789e-02 4.86 -4.054348787e-02 -4.054348787e-02 4.88 -3.547999245e-02 -3.547999245e-02 4.90 -3.069870249e-02 -3.069870249e-02 4.92 -2.618349547e-02 -2.618349547e-02 4.94 -2.182555447e-02 -2.182555447e-02 4.96 -1.906835905e-02 -1.906835905e-02 4.98 -1.779060686e-02 -1.779060686e-02 5.00 -1.650075407e-02 -1.650075407e-02 5.02 -1.528691214e-02 -1.528691214e-02 5.04 -1.414536759e-02 -1.414536759e-02 5.06 -1.307193398e-02 -1.307193398e-02 5.08 -1.206265579e-02 -1.206265579e-02 5.10 -1.111379738e-02 -1.111379738e-02 5.12 -1.022183230e-02 -1.022183230e-02 5.14 -9.383432641e-03 -9.383432641e-03 5.16 -8.595458776e-03 -8.595458776e-03 5.18 -7.854949473e-03 -7.854949473e-03 5.20 -7.159112442e-03 -7.159112442e-03 5.22 -6.505315297e-03 -6.505315297e-03 5.24 -5.891076768e-03 -5.891076768e-03 5.26 -5.314058385e-03 -5.314058385e-03 5.28 -4.772056586e-03 -4.772056586e-03 5.30 -4.262995236e-03 -4.262995236e-03 5.32 -3.784918505e-03 -3.784918505e-03 5.34 -3.335984031e-03 -3.335984031e-03 5.36 -2.914456520e-03 -2.914456520e-03 5.38 -2.518701679e-03 -2.518701679e-03 5.40 -2.147180523e-03 -2.147180523e-03 5.42 -1.798443902e-03 -1.798443902e-03 5.44 -1.471127353e-03 -1.471127353e-03 5.46 -1.163946255e-03 -1.163946255e-03 5.48 -8.756912706e-04 -8.756912706e-04 5.50 -6.052240481e-04 -6.052240481e-04 5.52 -3.514731007e-04 -3.514731007e-04 5.54 -1.119039410e-04 -1.119039410e-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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