# 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 = NiPt # 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 B1--NaCl--rock-s B1--NaCl--rock-s B2--CsCl B2--CsCl B3--ZnS--cubic-z B3--ZnS--cubic-z L1_0--AuCu L1_0--AuCu 0.50 nan nan nan nan nan nan nan nan 0.52 nan nan nan nan nan nan nan nan 0.54 nan nan nan nan nan nan nan nan 0.56 nan nan nan nan nan nan nan nan 0.58 nan nan nan nan nan nan nan nan 0.60 nan nan nan nan nan nan nan nan 0.62 nan nan nan nan nan nan nan nan 0.64 nan nan nan nan nan nan nan nan 0.66 nan nan nan nan nan nan nan nan 0.68 nan nan nan nan nan nan nan nan 0.70 nan nan nan nan nan nan nan nan 0.72 nan nan nan nan nan nan nan nan 0.74 nan nan nan nan 1.175190737e+03 1.175190737e+03 nan nan 0.76 nan nan nan nan 1.054462162e+03 1.054462162e+03 nan nan 0.78 nan nan nan nan 9.467793127e+02 9.467793127e+02 nan nan 0.80 nan nan nan nan 8.505795278e+02 8.505795278e+02 nan nan 0.82 nan nan nan nan 7.645084282e+02 7.645084282e+02 nan nan 0.84 nan nan nan nan 6.874024115e+02 6.874024115e+02 nan nan 0.86 1.037832150e+03 1.037832150e+03 nan nan 6.182647259e+02 6.182647259e+02 nan nan 0.88 9.377583887e+02 9.377583887e+02 nan nan 5.562184236e+02 5.562184236e+02 nan nan 0.90 8.475033498e+02 8.475033498e+02 nan nan 5.004957475e+02 5.004957475e+02 nan nan 0.92 7.660645466e+02 7.660645466e+02 nan nan 4.504276641e+02 4.504276641e+02 nan nan 0.94 6.925503134e+02 6.925503134e+02 nan nan 4.054178238e+02 4.054178238e+02 nan nan 0.96 6.261625638e+02 6.261625638e+02 8.835580269e+02 8.835580269e+02 3.649450103e+02 3.649450103e+02 9.367820182e+02 9.367820182e+02 0.98 5.662115507e+02 5.662115507e+02 8.029842131e+02 8.029842131e+02 3.285445064e+02 3.285445064e+02 8.531384761e+02 8.531384761e+02 1.00 5.120578970e+02 5.120578970e+02 7.299165645e+02 7.299165645e+02 2.957973315e+02 2.957973315e+02 7.772711385e+02 7.772711385e+02 1.02 4.631469416e+02 4.631469416e+02 6.636385252e+02 6.636385252e+02 2.663382225e+02 2.663382225e+02 7.084207417e+02 7.084207417e+02 1.04 4.189665283e+02 4.189665283e+02 6.035142897e+02 6.035142897e+02 2.398373360e+02 2.398373360e+02 6.459082641e+02 6.459082641e+02 1.06 3.790664215e+02 3.790664215e+02 5.489708571e+02 5.489708571e+02 2.159975199e+02 2.159975199e+02 5.891273556e+02 5.891273556e+02 1.08 3.430291303e+02 3.430291303e+02 4.994835695e+02 4.994835695e+02 1.945506303e+02 1.945506303e+02 5.375373709e+02 5.375373709e+02 1.10 3.104835951e+02 3.104835951e+02 4.545887724e+02 4.545887724e+02 1.752603667e+02 1.752603667e+02 4.906527386e+02 4.906527386e+02 1.12 2.810954707e+02 2.810954707e+02 4.138539760e+02 4.138539760e+02 1.579060328e+02 1.579060328e+02 4.480330080e+02 4.480330080e+02 1.14 2.545562455e+02 2.545562455e+02 3.768906524e+02 3.768906524e+02 1.422925377e+02 1.422925377e+02 4.092797986e+02 4.092797986e+02 1.16 2.305887423e+02 2.305887423e+02 3.433524283e+02 3.433524283e+02 1.282495852e+02 1.282495852e+02 3.740361331e+02 3.740361331e+02 1.18 2.089445025e+02 2.089445025e+02 3.129203243e+02 3.129203243e+02 1.156191525e+02 1.156191525e+02 3.419745739e+02 3.419745739e+02 1.20 1.893990261e+02 1.893990261e+02 2.853035818e+02 2.853035818e+02 1.042569601e+02 1.042569601e+02 3.128012754e+02 3.128012754e+02 1.22 1.717452414e+02 1.717452414e+02 2.602347406e+02 2.602347406e+02 9.403198189e+01 9.403198188e+01 2.862472863e+02 2.862472863e+02 1.24 1.557971672e+02 1.557971672e+02 2.374796603e+02 2.374796603e+02 8.483162659e+01 8.483162659e+01 2.620714306e+02 2.620714306e+02 1.26 1.413881258e+02 1.413881258e+02 2.168185242e+02 2.168185242e+02 7.655078757e+01 7.655078757e+01 2.400534757e+02 2.400534757e+02 1.28 1.283656567e+02 1.283656567e+02 1.980525032e+02 1.980525032e+02 6.909514111e+01 6.909514111e+01 2.199921092e+02 2.199921092e+02 1.30 1.165843544e+02 1.165843544e+02 1.810006809e+02 1.810006809e+02 6.237822656e+01 6.237822656e+01 2.017062258e+02 2.017062258e+02 1.32 1.059274857e+02 1.059274857e+02 1.655005164e+02 1.655005164e+02 5.632367945e+01 5.632367945e+01 1.850306738e+02 1.850306738e+02 1.34 9.628458414e+01 9.628458414e+01 1.514035329e+02 1.514035329e+02 5.086213736e+01 5.086213736e+01 1.698146808e+02 1.698146808e+02 1.36 8.755391493e+01 8.755391493e+01 1.385774411e+02 1.385774411e+02 4.593400696e+01 4.593400696e+01 1.559207164e+02 1.559207164e+02 1.38 7.964358464e+01 7.964358464e+01 1.269002566e+02 1.269002566e+02 4.148361220e+01 4.148361220e+01 1.432270751e+02 1.432270751e+02 1.40 7.247053960e+01 7.247053960e+01 1.162591468e+02 1.162591468e+02 3.746100839e+01 3.746100839e+01 1.316235347e+02 1.316235347e+02 1.42 6.596118791e+01 6.596118791e+01 1.065554842e+02 1.065554842e+02 3.382103019e+01 3.382103019e+01 1.210066132e+02 1.210066132e+02 1.44 6.004904111e+01 6.004904111e+01 9.770112800e+01 9.770112800e+01 3.052409085e+01 3.052409085e+01 1.112842797e+02 1.112842797e+02 1.46 5.467434392e+01 5.467434392e+01 8.961435151e+01 8.961435151e+01 2.753418200e+01 2.753418200e+01 1.023761019e+02 1.023761019e+02 1.48 4.978221439e+01 4.978221439e+01 8.222095781e+01 8.222095781e+01 2.481848772e+01 2.481848772e+01 9.420550953e+01 9.420550953e+01 1.50 4.532443676e+01 4.532443676e+01 7.545492288e+01 7.545492288e+01 2.235219326e+01 2.235219326e+01 8.670532037e+01 8.670532037e+01 1.52 4.125827327e+01 4.125827327e+01 6.925727428e+01 6.925727428e+01 2.011654062e+01 2.011654062e+01 7.981466673e+01 7.981466673e+01 1.54 3.754296666e+01 3.754296666e+01 6.357427493e+01 6.357427493e+01 1.809020965e+01 1.809020965e+01 7.347775843e+01 7.347775843e+01 1.56 3.414629506e+01 3.414629506e+01 5.835621588e+01 5.835621588e+01 1.625162744e+01 1.625162744e+01 6.764426831e+01 6.764426831e+01 1.58 3.103699672e+01 3.103699672e+01 5.355943471e+01 5.355943471e+01 1.458205639e+01 1.458205639e+01 6.226897094e+01 6.226897094e+01 1.60 2.818696804e+01 2.818696804e+01 4.914661685e+01 4.914661685e+01 1.306575320e+01 1.306575320e+01 5.731082440e+01 5.731082440e+01 1.62 2.557063515e+01 2.557063515e+01 4.508299335e+01 4.508299335e+01 1.168795686e+01 1.168795686e+01 5.273345333e+01 5.273345333e+01 1.64 2.316633039e+01 2.316633039e+01 4.133607226e+01 4.133607226e+01 1.043508211e+01 1.043508211e+01 4.850355109e+01 4.850355109e+01 1.66 2.095400173e+01 2.095400173e+01 3.787730837e+01 3.787730837e+01 9.238155130e+00 9.238155130e+00 4.459037371e+01 4.459037371e+01 1.68 1.891778704e+01 1.891778704e+01 3.468107347e+01 3.468107347e+01 8.146486858e+00 8.146486858e+00 4.096713477e+01 4.096713477e+01 1.70 1.704621891e+01 1.704621891e+01 3.172397419e+01 3.172397419e+01 7.117785480e+00 7.117785480e+00 3.760966601e+01 3.760966601e+01 1.72 1.532686697e+01 1.532686697e+01 2.898371967e+01 2.898371967e+01 6.148128240e+00 6.148128240e+00 3.449526072e+01 3.449526072e+01 1.74 1.374763923e+01 1.374763923e+01 2.644384463e+01 2.644384463e+01 5.237292046e+00 5.237292046e+00 3.160397035e+01 3.160397035e+01 1.76 1.229665105e+01 1.229665105e+01 2.408744404e+01 2.408744404e+01 4.383131584e+00 4.383131584e+00 2.891805764e+01 2.891805764e+01 1.78 1.096216501e+01 1.096216501e+01 2.189814868e+01 2.189814868e+01 3.583208372e+00 3.583208372e+00 2.642079149e+01 2.642079149e+01 1.80 9.685000537e+00 9.685000537e+00 1.986302912e+01 1.986302912e+01 2.835997619e+00 2.835997619e+00 2.409612793e+01 2.409612793e+01 1.82 8.512049811e+00 8.512049811e+00 1.797081276e+01 1.797081276e+01 2.139898969e+00 2.139898969e+00 2.193162564e+01 2.193162564e+01 1.84 7.401815201e+00 7.401815201e+00 1.621425725e+01 1.621425725e+01 1.493077413e+00 1.493077413e+00 1.991541566e+01 1.991541566e+01 1.86 6.352899283e+00 6.352899283e+00 1.458716855e+01 1.458716855e+01 8.937022639e-01 8.937022639e-01 1.803632025e+01 1.803632025e+01 1.88 5.363912637e+00 5.363912637e+00 1.307894539e+01 1.307894539e+01 3.413836188e-01 3.413836188e-01 1.628713160e+01 1.628713160e+01 1.90 4.433419542e+00 4.433419542e+00 1.164063793e+01 1.164063793e+01 -1.677678649e-01 -1.677678649e-01 1.466308118e+01 1.466308118e+01 1.92 3.560044176e+00 3.560044176e+00 1.031800937e+01 1.031800937e+01 -6.350969889e-01 -6.350969889e-01 1.311611763e+01 1.311611763e+01 1.94 2.742306501e+00 2.742306501e+00 9.064846616e+00 9.064846616e+00 -1.062791537e+00 -1.062791537e+00 1.169309251e+01 1.169309251e+01 1.96 1.978601202e+00 1.978601202e+00 7.879605041e+00 7.879605041e+00 -1.452598365e+00 -1.452598365e+00 1.034533937e+01 1.034533937e+01 1.98 1.265929175e+00 1.265929175e+00 6.760806246e+00 6.760806246e+00 -1.806371534e+00 -1.806371534e+00 9.072309677e+00 9.072309677e+00 2.00 6.042545741e-01 6.042545741e-01 5.706884739e+00 5.706884739e+00 -2.125973702e+00 -2.125973702e+00 7.871944394e+00 7.871944394e+00 2.02 -7.961607939e-03 -7.961607939e-03 4.716181290e+00 4.716181290e+00 -2.413266333e+00 -2.413266333e+00 6.742172726e+00 6.742172726e+00 2.04 -5.714638757e-01 -5.714638757e-01 3.786944112e+00 3.786944112e+00 -2.670099988e+00 -2.670099988e+00 5.680406815e+00 5.680406815e+00 2.06 -1.089781800e+00 -1.089781800e+00 2.917268692e+00 2.917268692e+00 -2.898001693e+00 -2.898001693e+00 4.684832970e+00 4.684832970e+00 2.08 -1.564771300e+00 -1.564771300e+00 2.105116066e+00 2.105116066e+00 -3.098776242e+00 -3.098776242e+00 3.753090109e+00 3.753090109e+00 2.10 -1.998317408e+00 -1.998317408e+00 1.348318374e+00 1.348318374e+00 -3.274855823e+00 -3.274855823e+00 2.883002954e+00 2.883002954e+00 2.12 -2.392080725e+00 -2.392080725e+00 6.446743509e-01 6.446743509e-01 -3.427876576e+00 -3.427876576e+00 2.072420965e+00 2.072420965e+00 2.14 -2.747917668e+00 -2.747917668e+00 -7.439106258e-03 -7.439106258e-03 -3.559315114e+00 -3.559315114e+00 1.318968516e+00 1.318968516e+00 2.16 -3.068490462e+00 -3.068490462e+00 -6.085464654e-01 -6.085464654e-01 -3.670472566e+00 -3.670472566e+00 6.202201261e-01 6.202201261e-01 2.18 -3.356091054e+00 -3.356091054e+00 -1.162131372e+00 -1.162131372e+00 -3.762717488e+00 -3.762717488e+00 -2.559850035e-02 -2.559850035e-02 2.20 -3.611961355e+00 -3.611961355e+00 -1.670481490e+00 -1.670481490e+00 -3.837910255e+00 -3.837910255e+00 -6.205224741e-01 -6.205224741e-01 2.22 -3.837815609e+00 -3.837815609e+00 -2.135662629e+00 -2.135662629e+00 -3.897465040e+00 -3.897465040e+00 -1.167944781e+00 -1.167944781e+00 2.24 -4.035003631e+00 -4.035003631e+00 -2.559727525e+00 -2.559727525e+00 -3.942723129e+00 -3.942723129e+00 -1.670192158e+00 -1.670192158e+00 2.26 -4.205645946e+00 -4.205645946e+00 -2.944707416e+00 -2.944707416e+00 -3.974951277e+00 -3.974951277e+00 -2.129417529e+00 -2.129417529e+00 2.28 -4.351635908e+00 -4.351635908e+00 -3.292282019e+00 -3.292282019e+00 -3.995341232e+00 -3.995341232e+00 -2.547792171e+00 -2.547792171e+00 2.30 -4.474642262e+00 -4.474642262e+00 -3.604569163e+00 -3.604569163e+00 -4.005103770e+00 -4.005103770e+00 -2.927564755e+00 -2.927564755e+00 2.32 -4.576285573e+00 -4.576285573e+00 -3.883739692e+00 -3.883739692e+00 -4.005456513e+00 -4.005456513e+00 -3.270706609e+00 -3.270706609e+00 2.34 -4.658133980e+00 -4.658133980e+00 -4.131584216e+00 -4.131584216e+00 -3.997085088e+00 -3.997085088e+00 -3.579125295e+00 -3.579125295e+00 2.36 -4.721698115e+00 -4.721698115e+00 -4.349944873e+00 -4.349944873e+00 -3.980890252e+00 -3.980890252e+00 -3.854825311e+00 -3.854825311e+00 2.38 -4.768392727e+00 -4.768392727e+00 -4.540437665e+00 -4.540437665e+00 -3.957670048e+00 -3.957670048e+00 -4.099737593e+00 -4.099737593e+00 2.40 -4.799748800e+00 -4.799748800e+00 -4.704630185e+00 -4.704630185e+00 -3.927174045e+00 -3.927174045e+00 -4.315740099e+00 -4.315740099e+00 2.42 -4.817201167e+00 -4.817201167e+00 -4.844956000e+00 -4.844956000e+00 -3.891234821e+00 -3.891234821e+00 -4.504768876e+00 -4.504768876e+00 2.44 -4.821738711e+00 -4.821738711e+00 -4.962662784e+00 -4.962662784e+00 -3.850502868e+00 -3.850502868e+00 -4.668092710e+00 -4.668092710e+00 2.46 -4.814563054e+00 -4.814563054e+00 -5.059308017e+00 -5.059308017e+00 -3.805563922e+00 -3.805563922e+00 -4.807892137e+00 -4.807892137e+00 2.48 -4.796813351e+00 -4.796813351e+00 -5.136399336e+00 -5.136399336e+00 -3.756954902e+00 -3.756954902e+00 -4.925686530e+00 -4.925686530e+00 2.50 -4.769559824e+00 -4.769559824e+00 -5.195380351e+00 -5.195380351e+00 -3.704886936e+00 -3.704886936e+00 -5.022954587e+00 -5.022954587e+00 2.52 -4.733804482e+00 -4.733804482e+00 -5.238580390e+00 -5.238580390e+00 -3.649640827e+00 -3.649640827e+00 -5.101182621e+00 -5.101182621e+00 2.54 -4.690482281e+00 -4.690482281e+00 -5.266640672e+00 -5.266640672e+00 -3.592533095e+00 -3.592533095e+00 -5.161791923e+00 -5.161791923e+00 2.56 -4.640462690e+00 -4.640462690e+00 -5.280304163e+00 -5.280304163e+00 -3.533479737e+00 -3.533479737e+00 -5.206188113e+00 -5.206188113e+00 2.58 -4.584570421e+00 -4.584570421e+00 -5.281062061e+00 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