# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2018--Pan-Z-Borovikov-V-Mendelev-M-I-Sansoz-F--Ag-Ni # implementation = 2018--Pan-Z--Ag-Ni--LAMMPS--ipr1 # composition = AgNi # 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 nan nan nan nan 0.76 nan nan nan nan nan nan nan nan 0.78 nan nan nan nan nan nan nan nan 0.80 nan nan nan nan nan nan nan nan 0.82 nan nan nan nan nan nan nan nan 0.84 nan nan nan nan nan nan nan nan 0.86 nan nan nan nan nan nan nan nan 0.88 nan nan nan nan 2.241874844e+04 2.241874844e+04 nan nan 0.90 nan nan nan nan 1.991533737e+04 1.991533737e+04 nan nan 0.92 nan nan nan nan 1.762784671e+04 1.762784671e+04 nan nan 0.94 nan nan nan nan 1.553360892e+04 1.553360892e+04 nan nan 0.96 nan nan nan nan 1.361280312e+04 1.361280312e+04 nan nan 0.98 nan nan nan nan 1.184801699e+04 1.184801699e+04 nan nan 1.00 2.412650405e+04 2.412650405e+04 nan nan 1.022388720e+04 1.022388720e+04 nan nan 1.02 2.180786401e+04 2.180786401e+04 nan nan 8.726800883e+03 8.726800883e+03 nan nan 1.04 1.966663345e+04 1.966663345e+04 nan nan 7.344686072e+03 7.344686072e+03 nan nan 1.06 1.768626277e+04 1.768626277e+04 nan nan 6.066838461e+03 6.066838461e+03 nan nan 1.08 1.585201857e+04 1.585201857e+04 nan nan 4.891618186e+03 4.891618186e+03 nan nan 1.10 1.415071422e+04 1.415071422e+04 nan nan 3.907198864e+03 3.907198864e+03 nan nan 1.12 1.257048983e+04 1.257048983e+04 nan nan 3.101096930e+03 3.101096930e+03 nan nan 1.14 1.110071161e+04 1.110071161e+04 1.911588090e+04 1.911588090e+04 2.433300612e+03 2.433300612e+03 2.094745441e+04 2.094745441e+04 1.16 9.731949084e+03 9.731949084e+03 1.733057509e+04 1.733057509e+04 1.881158354e+03 1.881158354e+03 1.906723898e+04 1.906723898e+04 1.18 8.455742413e+03 8.455742413e+03 1.566589012e+04 1.566589012e+04 1.455374045e+03 1.455374045e+03 1.731400678e+04 1.731400678e+04 1.20 7.264504069e+03 7.264504069e+03 1.411197018e+04 1.411197018e+04 1.130321899e+03 1.130321899e+03 1.567721292e+04 1.567721292e+04 1.22 6.151392650e+03 6.151392650e+03 1.265975761e+04 1.265975761e+04 8.815634858e+02 8.815634858e+02 1.414738548e+04 1.414738548e+04 1.24 5.110623542e+03 5.110623542e+03 1.130109266e+04 1.130109266e+04 6.907216427e+02 6.907216427e+02 1.271598453e+04 1.271598453e+04 1.26 4.199814138e+03 4.199814138e+03 1.002859285e+04 1.002859285e+04 5.439314166e+02 5.439314166e+02 1.137529600e+04 1.137529600e+04 1.28 3.437324116e+03 3.437324116e+03 8.835539524e+03 8.835539524e+03 4.306934420e+02 4.306934420e+02 1.011833036e+04 1.011833036e+04 1.30 2.793464227e+03 2.793464227e+03 7.715898892e+03 7.715898892e+03 3.430825340e+02 3.430825340e+02 8.938743449e+03 8.938743449e+03 1.32 2.245045872e+03 2.245045872e+03 6.664168338e+03 6.664168338e+03 2.750875975e+02 2.750875975e+02 7.830779521e+03 7.830779521e+03 1.34 1.784138280e+03 1.784138280e+03 5.675297603e+03 5.675297603e+03 2.221259182e+02 2.221259182e+02 6.789123078e+03 6.789123078e+03 1.36 1.419273670e+03 1.419273670e+03 4.756185954e+03 4.756185954e+03 1.807024706e+02 1.807024706e+02 5.808889366e+03 5.808889366e+03 1.38 1.131220396e+03 1.131220396e+03 3.967122528e+03 3.967122528e+03 1.481562730e+02 1.481562730e+02 4.891381704e+03 4.891381704e+03 1.40 9.034501374e+02 9.034501374e+02 3.295428692e+03 3.295428692e+03 1.224582375e+02 1.224582375e+02 4.095327642e+03 4.095327642e+03 1.42 7.230597444e+02 7.230597444e+02 2.719443715e+03 2.719443715e+03 1.020562454e+02 1.020562454e+02 3.416751853e+03 3.416751853e+03 1.44 5.799659268e+02 5.799659268e+02 2.221896757e+03 2.221896757e+03 8.576186255e+01 8.576186255e+01 2.834220013e+03 2.834220013e+03 1.46 4.662691226e+02 4.662691226e+02 1.796949448e+03 1.796949448e+03 7.266213164e+01 7.266213164e+01 2.330577453e+03 2.330577453e+03 1.48 3.757808786e+02 3.757808786e+02 1.453796832e+03 1.453796832e+03 6.204963950e+01 6.204963950e+01 1.894964603e+03 1.894964603e+03 1.50 3.036528355e+02 3.036528355e+02 1.177560309e+03 1.177560309e+03 5.337291059e+01 5.337291059e+01 1.538476753e+03 1.538476753e+03 1.52 2.460721848e+02 2.460721848e+02 9.549036518e+02 9.549036518e+02 4.620624403e+01 4.620624403e+01 1.250573867e+03 1.250573867e+03 1.54 2.000326618e+02 2.000326618e+02 7.752311878e+02 7.752311878e+02 4.023306391e+01 4.023306391e+01 1.017772513e+03 1.017772513e+03 1.56 1.631617647e+02 1.631617647e+02 6.301055069e+02 6.301055069e+02 3.521591116e+01 3.521591116e+01 8.292986570e+02 8.292986570e+02 1.58 1.335856364e+02 1.335856364e+02 5.127857333e+02 5.127857333e+02 3.097320197e+01 3.097320197e+01 6.765335891e+02 6.765335891e+02 1.60 1.098173800e+02 1.098173800e+02 4.178614599e+02 4.178614599e+02 2.735546251e+01 2.735546251e+01 5.525709641e+02 5.525709641e+02 1.62 9.067168205e+01 9.067168205e+01 3.409829030e+02 3.409829030e+02 2.423924366e+01 2.423924366e+01 4.518685918e+02 4.518685918e+02 1.64 7.520494540e+01 7.520494540e+01 2.786575398e+02 2.786575398e+02 2.152949235e+01 2.152949235e+01 3.699723425e+02 3.699723425e+02 1.66 6.267041257e+01 6.267041257e+01 2.280953426e+02 2.280953426e+02 1.915294625e+01 1.915294625e+01 3.032968882e+02 3.032968882e+02 1.68 5.247315891e+01 5.247315891e+01 1.870626991e+02 1.870626991e+02 1.704932763e+01 1.704932763e+01 2.489560919e+02 2.489560919e+02 1.70 4.413787272e+01 4.413787272e+01 1.537148283e+02 1.537148283e+02 1.516837545e+01 1.516837545e+01 2.046261030e+02 2.046261030e+02 1.72 3.728565913e+01 3.728565913e+01 1.265621636e+02 1.265621636e+02 1.346933807e+01 1.346933807e+01 1.684307425e+02 1.684307425e+02 1.74 3.161782565e+01 3.161782565e+01 1.044071623e+02 1.044071623e+02 1.192135331e+01 1.192135331e+01 1.388519279e+02 1.388519279e+02 1.76 2.690119214e+01 2.690119214e+01 8.628928899e+01 8.628928899e+01 1.050252353e+01 1.050252353e+01 1.146588344e+02 1.146588344e+02 1.78 2.295312214e+01 2.295312214e+01 7.143988002e+01 7.143988002e+01 9.198675395e+00 9.198675395e+00 9.484795203e+01 9.484795203e+01 1.80 1.962913126e+01 1.962913126e+01 5.924662453e+01 5.924662453e+01 8.002702053e+00 8.002702053e+00 7.860301677e+01 7.860301677e+01 1.82 1.681553665e+01 1.681553665e+01 4.922056482e+01 4.922056482e+01 6.911725362e+00 6.911725362e+00 6.526218249e+01 6.526218249e+01 1.84 1.441815974e+01 1.441815974e+01 4.096921933e+01 4.096921933e+01 5.924483186e+00 5.924483186e+00 5.429058036e+01 5.429058036e+01 1.86 1.235732535e+01 1.235732535e+01 3.417536623e+01 3.417536623e+01 5.039268192e+00 5.039268192e+00 4.526991523e+01 4.526991523e+01 1.88 1.057289863e+01 1.057289863e+01 2.857997501e+01 2.857997501e+01 4.251402312e+00 4.251402312e+00 3.783702994e+01 3.783702994e+01 1.90 9.019188381e+00 9.019188381e+00 2.396826294e+01 2.396826294e+01 3.552163407e+00 3.552163407e+00 3.169216794e+01 3.169216794e+01 1.92 7.659138041e+00 7.659138041e+00 2.015950220e+01 2.015950220e+01 2.935002501e+00 2.935002501e+00 2.659204745e+01 2.659204745e+01 1.94 6.461609057e+00 6.461609057e+00 1.700054633e+01 1.700054633e+01 2.391335117e+00 2.391335117e+00 2.234039278e+01 2.234039278e+01 1.96 5.400281976e+00 5.400281976e+00 1.436268796e+01 1.436268796e+01 1.906248922e+00 1.906248922e+00 1.877944215e+01 1.877944215e+01 1.98 4.452995599e+00 4.452995599e+00 1.214153539e+01 1.214153539e+01 1.466719595e+00 1.466719595e+00 1.578234659e+01 1.578234659e+01 2.00 3.601251810e+00 3.601251810e+00 1.025464531e+01 1.025464531e+01 1.064202067e+00 1.064202067e+00 1.324809768e+01 1.324809768e+01 2.02 2.830312878e+00 2.830312878e+00 8.635721155e+00 8.635721155e+00 6.926742679e-01 6.926742679e-01 1.109691737e+01 1.109691737e+01 2.04 2.130407330e+00 2.130407330e+00 7.232024496e+00 7.232024496e+00 3.477050274e-01 3.477050274e-01 9.266102279e+00 9.266102279e+00 2.06 1.496419532e+00 1.496419532e+00 6.003296373e+00 6.003296373e+00 2.647224817e-02 2.647224817e-02 7.705347849e+00 7.705347849e+00 2.08 9.258079270e-01 9.258079270e-01 4.920623916e+00 4.920623916e+00 -2.717791477e-01 -2.717791477e-01 6.373240069e+00 6.373240069e+00 2.10 4.174954903e-01 4.174954903e-01 3.963439239e+00 3.963439239e+00 -5.463678299e-01 -5.463678299e-01 5.234713052e+00 5.234713052e+00 2.12 -2.921355558e-02 -2.921355558e-02 3.116534206e+00 3.116534206e+00 -7.960901356e-01 -7.960901356e-01 4.259194451e+00 4.259194451e+00 2.14 -4.158809057e-01 -4.158809057e-01 2.367917434e+00 2.367917434e+00 -1.020103288e+00 -1.020103288e+00 3.419683733e+00 3.419683733e+00 2.16 -7.469249206e-01 -7.469249206e-01 1.707117419e+00 1.707117419e+00 -1.218454357e+00 -1.218454357e+00 2.692404657e+00 2.692404657e+00 2.18 -1.028739352e+00 -1.028739352e+00 1.124082667e+00 1.124082667e+00 -1.392093436e+00 -1.392093436e+00 2.057100388e+00 2.057100388e+00 2.20 -1.265731338e+00 -1.265731338e+00 6.086301091e-01 6.086301091e-01 -1.540053314e+00 -1.540053314e+00 1.496833418e+00 1.496833418e+00 2.22 -1.464309882e+00 -1.464309882e+00 1.510294174e-01 1.510294174e-01 -1.664912715e+00 -1.664912715e+00 9.972456330e-01 9.972456330e-01 2.24 -1.634828562e+00 -1.634828562e+00 -2.569761896e-01 -2.569761896e-01 -1.770760832e+00 -1.770760832e+00 5.466600808e-01 5.466600808e-01 2.26 -1.785925597e+00 -1.785925597e+00 -6.233695837e-01 -6.233695837e-01 -1.860594115e+00 -1.860594115e+00 1.364211463e-01 1.364211463e-01 2.28 -1.923647683e+00 -1.923647683e+00 -9.538437264e-01 -9.538437264e-01 -1.936734130e+00 -1.936734130e+00 -2.395968082e-01 -2.395968082e-01 2.30 -2.052294952e+00 -2.052294952e+00 -1.252792754e+00 -1.252792754e+00 -2.001281113e+00 -2.001281113e+00 -5.856567811e-01 -5.856567811e-01 2.32 -2.174063602e+00 -2.174063602e+00 -1.523689558e+00 -1.523689558e+00 -2.056106988e+00 -2.056106988e+00 -9.046377319e-01 -9.046377319e-01 2.34 -2.289360667e+00 -2.289360667e+00 -1.769773546e+00 -1.769773546e+00 -2.102826886e+00 -2.102826886e+00 -1.198514196e+00 -1.198514196e+00 2.36 -2.397528019e+00 -2.397528019e+00 -1.994956229e+00 -1.994956229e+00 -2.142776737e+00 -2.142776737e+00 -1.468739322e+00 -1.468739322e+00 2.38 -2.497344406e+00 -2.497344406e+00 -2.201263718e+00 -2.201263718e+00 -2.176940699e+00 -2.176940699e+00 -1.716559711e+00 -1.716559711e+00 2.40 -2.587380859e+00 -2.587380859e+00 -2.387233845e+00 -2.387233845e+00 -2.205910859e+00 -2.205910859e+00 -1.943803668e+00 -1.943803668e+00 2.42 -2.668012951e+00 -2.668012951e+00 -2.554871259e+00 -2.554871259e+00 -2.231121101e+00 -2.231121101e+00 -2.154235031e+00 -2.154235031e+00 2.44 -2.739043330e+00 -2.739043330e+00 -2.707351330e+00 -2.707351330e+00 -2.253153277e+00 -2.253153277e+00 -2.347720408e+00 -2.347720408e+00 2.46 -2.798845913e+00 -2.798845913e+00 -2.844685755e+00 -2.844685755e+00 -2.271063476e+00 -2.271063476e+00 -2.521541952e+00 -2.521541952e+00 2.48 -2.846732330e+00 -2.846732330e+00 -2.966112048e+00 -2.966112048e+00 -2.283974721e+00 -2.283974721e+00 -2.675448967e+00 -2.675448967e+00 2.50 -2.881072135e+00 -2.881072135e+00 -3.070495339e+00 -3.070495339e+00 -2.291168671e+00 -2.291168671e+00 -2.811520013e+00 -2.811520013e+00 2.52 -2.901034754e+00 -2.901034754e+00 -3.156779883e+00 -3.156779883e+00 -2.292179224e+00 -2.292179224e+00 -2.931925584e+00 -2.931925584e+00 2.54 -2.908918804e+00 -2.908918804e+00 -3.224607568e+00 -3.224607568e+00 -2.286877692e+00 -2.286877692e+00 -3.038243030e+00 -3.038243030e+00 2.56 -2.907111574e+00 -2.907111574e+00 -3.274587816e+00 -3.274587816e+00 -2.275542216e+00 -2.275542216e+00 -3.131496555e+00 -3.131496555e+00 2.58 -2.897969404e+00 -2.897969404e+00 -3.308341831e+00 -3.308341831e+00 -2.258904067e+00 -2.258904067e+00 -3.212154706e+00 -3.212154706e+00 2.60 -2.883737893e+00 -2.883737893e+00 -3.328471871e+00 -3.328471871e+00 -2.238148377e+00 -2.238148377e+00 -3.280522670e+00 -3.280522670e+00 2.62 -2.866462273e+00 -2.866462273e+00 -3.338401889e+00 -3.338401889e+00 -2.214853511e+00 -2.214853511e+00 -3.337160197e+00 -3.337160197e+00 2.64 -2.847894679e+00 -2.847894679e+00 -3.342020459e+00 -3.342020459e+00 -2.190823250e+00 -2.190823250e+00 -3.382841485e+00 -3.382841485e+00 2.66 -2.829426185e+00 -2.829426185e+00 -3.343129179e+00 -3.343129179e+00 -2.167801747e+00 -2.167801747e+00 -3.418471476e+00 -3.418471476e+00 2.68 -2.812047551e+00 -2.812047551e+00 -3.344658674e+00 -3.344658674e+00 -2.147088952e+00 -2.147088952e+00 -3.445016974e+00 -3.445016974e+00 2.70 -2.796339835e+00 -2.796339835e+00 -3.348087622e+00 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