# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2023--Daw-M-S-Chandross-M--Cu-Ag-Au-Ni-Pd-Pt # implementation = 2023--Daw-M-S--Cu-Ag-Au-Ni-Pd-Pt--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 2026-08-31 r B1--NaCl--rock-s B1--NaCl--rock-s B2--CsCl B2--CsCl B3--ZnS--cubic-z B3--ZnS--cubic-z B4--ZnS--wurtzit B4--ZnS--wurtzit L1_0--AuCu L1_0--AuCu 0.50 nan nan nan nan nan nan nan nan nan nan 0.52 nan nan nan nan nan nan nan nan nan nan 0.54 nan nan nan nan nan nan nan nan nan nan 0.56 nan nan nan nan nan nan nan nan nan nan 0.58 nan nan nan nan nan nan nan nan nan nan 0.60 nan nan nan nan nan nan nan nan nan nan 0.62 nan nan nan nan nan nan nan nan nan nan 0.64 nan nan nan nan nan nan nan nan nan nan 0.66 nan nan nan nan nan nan nan nan nan nan 0.68 nan nan nan nan 5.023276703e+06 5.023276703e+06 5.013462599e+06 5.013462599e+06 nan nan 0.70 nan nan nan nan 4.441516559e+06 4.441516559e+06 4.432611854e+06 4.432611854e+06 nan nan 0.72 nan nan nan nan 3.923524053e+06 3.923524053e+06 3.915479357e+06 3.915479357e+06 nan nan 0.74 nan nan nan nan 3.460945269e+06 3.460945269e+06 3.453666897e+06 3.453666897e+06 nan nan 0.76 nan nan nan nan 3.046634447e+06 3.046634447e+06 3.040054943e+06 3.040054943e+06 nan nan 0.78 5.130108728e+06 5.130108728e+06 nan nan 2.674556570e+06 2.674556570e+06 2.668605273e+06 2.668605273e+06 nan nan 0.80 4.608292652e+06 4.608292652e+06 nan nan 2.339584937e+06 2.339584937e+06 2.334192924e+06 2.334192924e+06 nan nan 0.82 4.136838295e+06 4.136838295e+06 nan nan 2.037285528e+06 2.037285528e+06 2.032374340e+06 2.032374340e+06 nan nan 0.84 3.709916170e+06 3.709916170e+06 nan nan 1.763837416e+06 1.763837416e+06 1.759331303e+06 1.759331303e+06 nan nan 0.86 3.322461573e+06 3.322461573e+06 4.897116252e+06 4.897116252e+06 1.515908868e+06 1.515908868e+06 1.511787685e+06 1.511787685e+06 nan nan 0.88 2.970098386e+06 2.970098386e+06 4.436354604e+06 4.436354604e+06 1.290633674e+06 1.290633674e+06 1.286894973e+06 1.286894973e+06 4.771965012e+06 4.771965012e+06 0.90 2.649023508e+06 2.649023508e+06 4.016263018e+06 4.016263018e+06 1.085571038e+06 1.085571038e+06 1.082170687e+06 1.082170687e+06 4.329463334e+06 4.329463334e+06 0.92 2.355868910e+06 2.355868910e+06 3.632538171e+06 3.632538171e+06 8.985514079e+05 8.985514079e+05 8.954725948e+05 8.954725948e+05 3.925222344e+06 3.925222344e+06 0.94 2.087717292e+06 2.087717292e+06 3.281354945e+06 3.281354945e+06 7.277067870e+05 7.277067870e+05 7.249142700e+05 7.249142700e+05 3.555228032e+06 3.555228032e+06 0.96 1.842020670e+06 1.842020670e+06 2.959392883e+06 2.959392883e+06 5.715051405e+05 5.715051405e+05 5.689854577e+05 5.689854577e+05 3.215985976e+06 3.215985976e+06 0.98 1.616495646e+06 1.616495646e+06 2.663708486e+06 2.663708486e+06 4.363546536e+05 4.363546536e+05 4.342654580e+05 4.342654580e+05 2.904386646e+06 2.904386646e+06 1.00 1.409140117e+06 1.409140117e+06 2.391684524e+06 2.391684524e+06 3.263067894e+05 3.263067894e+05 3.247222636e+05 3.247222636e+05 2.617694316e+06 2.617694316e+06 1.02 1.218221764e+06 1.218221764e+06 2.141046288e+06 2.141046288e+06 2.444527014e+05 2.444527014e+05 2.433037564e+05 2.433037564e+05 2.353537751e+06 2.353537751e+06 1.04 1.042233191e+06 1.042233191e+06 1.909803526e+06 1.909803526e+06 1.836980780e+05 1.836980780e+05 1.828674387e+05 1.828674387e+05 2.109807102e+06 2.109807102e+06 1.06 8.797795204e+05 8.797795204e+05 1.696161109e+06 1.696161109e+06 1.384440643e+05 1.384440643e+05 1.378432759e+05 1.378432759e+05 1.884617480e+06 1.884617480e+06 1.08 7.295969752e+05 7.295969752e+05 1.498546225e+06 1.498546225e+06 1.046255380e+05 1.046255380e+05 1.041867615e+05 1.041867615e+05 1.676265898e+06 1.676265898e+06 1.10 5.905949386e+05 5.905949386e+05 1.315505041e+06 1.315505041e+06 7.927364126e+04 7.927364126e+04 7.894885440e+04 7.894885440e+04 1.483235705e+06 1.483235705e+06 1.12 4.657682007e+05 4.657682007e+05 1.145733783e+06 1.145733783e+06 6.020599535e+04 6.020599535e+04 5.996464753e+04 5.996464753e+04 1.304171258e+06 1.304171258e+06 1.14 3.603263801e+05 3.603263801e+05 9.880844221e+05 9.880844221e+05 4.582416982e+04 4.582416982e+04 4.564243968e+04 4.564243968e+04 1.137868543e+06 1.137868543e+06 1.16 2.784668816e+05 2.784668816e+05 8.415088322e+05 8.415088322e+05 3.494706641e+04 3.494706641e+04 3.480970747e+04 3.480970747e+04 9.832267671e+05 9.832267671e+05 1.18 2.156698749e+05 2.156698749e+05 7.050898735e+05 7.050898735e+05 2.669980146e+04 2.669980146e+04 2.659668336e+04 2.659668336e+04 8.392706090e+05 8.392706090e+05 1.20 1.673696820e+05 1.673696820e+05 5.779753652e+05 5.779753652e+05 2.043224566e+04 2.043224566e+04 2.035603303e+04 2.035603303e+04 7.051297763e+05 7.051297763e+05 1.22 1.301303713e+05 1.301303713e+05 4.624346477e+05 4.624346477e+05 1.565960414e+04 1.565960414e+04 1.560393197e+04 1.560393197e+04 5.800203172e+05 5.800203172e+05 1.24 1.013546931e+05 1.013546931e+05 3.641248962e+05 3.641248962e+05 1.201875437e+04 1.201875437e+04 1.197804494e+04 1.197804494e+04 4.651958986e+05 4.651958986e+05 1.26 7.907139286e+04 7.907139286e+04 2.867422755e+05 2.867422755e+05 9.236708679e+03 9.236708679e+03 9.206657034e+03 9.206657034e+03 3.674668045e+05 3.674668045e+05 1.28 6.178178707e+04 6.178178707e+04 2.262216584e+05 2.262216584e+05 7.107660993e+03 7.107660993e+03 7.084933475e+03 7.084933475e+03 2.904542918e+05 2.904542918e+05 1.30 4.834181667e+04 4.834181667e+04 1.787753645e+05 1.787753645e+05 5.475557276e+03 5.475557276e+03 5.458100780e+03 5.458100780e+03 2.299860974e+05 2.299860974e+05 1.32 3.787444437e+04 3.787444437e+04 1.415008701e+05 1.415008701e+05 4.222356332e+03 4.222356332e+03 4.208962487e+03 4.208962487e+03 1.824040036e+05 1.824040036e+05 1.34 2.970865022e+04 2.970865022e+04 1.121589399e+05 1.121589399e+05 3.258442016e+03 3.258442016e+03 3.248427321e+03 3.248427321e+03 1.448842840e+05 1.448842840e+05 1.36 2.332730371e+04 2.332730371e+04 8.902171004e+04 8.902171004e+04 2.516244748e+03 2.516244748e+03 2.508894591e+03 2.508894591e+03 1.152418495e+05 1.152418495e+05 1.38 1.833289636e+04 1.833289636e+04 7.074584854e+04 7.074584854e+04 1.944300374e+03 1.944300374e+03 1.938984752e+03 1.938984752e+03 9.178102863e+04 9.178102863e+04 1.40 1.441877933e+04 1.441877933e+04 5.628592687e+04 5.628592687e+04 1.503189360e+03 1.503189360e+03 1.499391811e+03 1.499391811e+03 7.318293132e+04 7.318293132e+04 1.42 1.134811071e+04 1.134811071e+04 4.482885945e+04 4.482885945e+04 1.162777774e+03 1.162777774e+03 1.160095149e+03 1.160095149e+03 5.841790019e+04 5.841790019e+04 1.44 8.936781769e+03 8.936781769e+03 3.573654295e+04 3.573654295e+04 8.998431132e+02 8.998431132e+02 8.979866550e+02 8.979866550e+02 4.667791470e+04 4.667791470e+04 1.46 7.041666156e+03 7.041666156e+03 2.851125715e+04 2.851125715e+04 6.966210679e+02 6.966210679e+02 6.953785826e+02 6.953785826e+02 3.733111805e+04 3.733111805e+04 1.48 5.550952142e+03 5.550952142e+03 2.276382005e+04 2.276382005e+04 5.395128860e+02 5.395128860e+02 5.386822706e+02 5.386822706e+02 2.988072893e+04 2.988072893e+04 1.50 4.377339069e+03 4.377339069e+03 1.818668132e+04 1.818668132e+04 4.180238316e+02 4.180238316e+02 4.174531553e+02 4.174531553e+02 2.393561595e+04 2.393561595e+04 1.52 3.452738725e+03 3.452738725e+03 1.453770488e+04 1.453770488e+04 3.240468477e+02 3.240468477e+02 3.236419793e+02 3.236419793e+02 1.918648654e+04 1.918648654e+04 1.54 2.723596430e+03 2.723596430e+03 1.162646288e+04 1.162646288e+04 2.513422841e+02 2.513422841e+02 2.510417175e+02 2.510417175e+02 1.538861220e+04 1.538861220e+04 1.56 2.148320632e+03 2.148320632e+03 9.302035283e+03 9.302035283e+03 1.950775682e+02 1.950775682e+02 1.948405326e+02 1.948405326e+02 1.234894408e+04 1.234894408e+04 1.58 1.694314479e+03 1.694314479e+03 7.444659369e+03 7.444659369e+03 1.515112636e+02 1.515112636e+02 1.513148818e+02 1.513148818e+02 9.914018942e+03 9.914018942e+03 1.60 1.335937099e+03 1.335937099e+03 5.959702386e+03 5.959702386e+03 1.177739655e+02 1.177739655e+02 1.176038657e+02 1.176038657e+02 7.961699350e+03 7.961699350e+03 1.62 1.053046154e+03 1.053046154e+03 4.771930114e+03 4.771930114e+03 9.164310133e+01 9.164310133e+01 9.149026411e+01 9.149026411e+01 6.395184737e+03 6.395184737e+03 1.64 8.296754252e+02 8.296754252e+02 3.821158266e+03 3.821158266e+03 7.139072809e+01 7.139072809e+01 7.125273673e+01 7.125273673e+01 5.137584193e+03 5.137584193e+03 1.66 6.532877365e+02 6.532877365e+02 3.059516162e+03 3.059516162e+03 5.568421214e+01 5.568421214e+01 5.556075851e+01 5.556075851e+01 4.127541818e+03 4.127541818e+03 1.68 5.140474481e+02 5.140474481e+02 2.449104691e+03 2.449104691e+03 4.349300029e+01 4.349300029e+01 4.338383113e+01 4.338383113e+01 3.315971952e+03 3.315971952e+03 1.70 4.041763955e+02 4.041763955e+02 1.959855162e+03 1.959855162e+03 3.402102386e+01 3.402102386e+01 3.392534489e+01 3.392534489e+01 2.663658263e+03 2.663658263e+03 1.72 3.175108222e+02 3.175108222e+02 1.567733960e+03 1.567733960e+03 2.665158645e+01 2.665158645e+01 2.656817136e+01 2.656817136e+01 2.139236973e+03 2.139236973e+03 1.74 2.491733957e+02 2.491733957e+02 1.253436577e+03 1.253436577e+03 2.090583589e+01 2.090583589e+01 2.083348442e+01 2.083348442e+01 1.717586164e+03 1.717586164e+03 1.76 1.953211541e+02 1.953211541e+02 1.001522772e+03 1.001522772e+03 1.641363845e+01 1.641363845e+01 1.635159071e+01 1.635159071e+01 1.378546670e+03 1.378546670e+03 1.78 1.529131141e+02 1.529131141e+02 7.996701852e+02 7.996701852e+02 1.289051089e+01 1.289051089e+01 1.283760458e+01 1.283760458e+01 1.105938033e+03 1.105938033e+03 1.80 1.195350644e+02 1.195350644e+02 6.379905615e+02 6.379905615e+02 1.011636752e+01 1.011636752e+01 1.007124132e+01 1.007124132e+01 8.867433386e+02 8.867433386e+02 1.82 9.327511178e+01 9.327511178e+01 5.085446541e+02 5.085446541e+02 7.921072389e+00 7.921072389e+00 7.882081106e+00 7.882081106e+00 7.105168253e+02 7.105168253e+02 1.84 7.263260895e+01 7.263260895e+01 4.049571400e+02 4.049571400e+02 6.173290981e+00 6.173290981e+00 6.138803129e+00 6.138803129e+00 5.688474225e+02 5.688474225e+02 1.86 5.641933461e+01 5.641933461e+01 3.221081275e+02 3.221081275e+02 4.771793880e+00 4.771793880e+00 4.740744652e+00 4.740744652e+00 4.549887743e+02 4.549887743e+02 1.88 4.369483689e+01 4.369483689e+01 2.558858163e+02 2.558858163e+02 3.638677518e+00 3.638677518e+00 3.610388821e+00 3.610388821e+00 3.635127732e+02 3.635127732e+02 1.90 3.371394836e+01 3.371394836e+01 2.029727951e+02 2.029727951e+02 2.714136304e+00 2.714136304e+00 2.688160697e+00 2.688160697e+00 2.900590313e+02 2.900590313e+02 1.92 2.588894081e+01 2.588894081e+01 1.607162585e+02 1.607162585e+02 1.952329954e+00 1.952329954e+00 1.928342112e+00 1.928342112e+00 2.311170167e+02 2.311170167e+02 1.94 1.975724225e+01 1.975724225e+01 1.269966977e+02 1.269966977e+02 1.318079260e+00 1.318079260e+00 1.295847409e+00 1.295847409e+00 1.838553391e+02 1.838553391e+02 1.96 1.495372369e+01 1.495372369e+01 1.001053784e+02 1.001053784e+02 7.844618414e-01 7.844618414e-01 7.638189907e-01 7.638189907e-01 1.459862785e+02 1.459862785e+02 1.98 1.119054351e+01 1.119054351e+01 7.868187795e+01 7.868187795e+01 3.309604764e-01 3.309604764e-01 3.117619966e-01 3.117619966e-01 1.156670332e+02 1.156670332e+02 2.00 8.240844723e+00 8.240844723e+00 6.163297938e+01 6.163297938e+01 -5.813135397e-02 -5.813135397e-02 -7.601230719e-02 -7.601230719e-02 9.141564910e+01 9.141564910e+01 2.02 5.926167510e+00 5.926167510e+00 4.807576923e+01 4.807576923e+01 -3.947872898e-01 -3.947872898e-01 -4.114737509e-01 -4.114737509e-01 7.203757795e+01 7.203757795e+01 2.04 4.107338009e+00 4.107338009e+00 3.730688154e+01 3.730688154e+01 -6.881555436e-01 -6.881555436e-01 -7.037774151e-01 -7.037774151e-01 5.656972526e+01 5.656972526e+01 2.06 2.675368774e+00 2.675368774e+00 2.876344268e+01 2.876344268e+01 -9.452935991e-01 -9.452935991e-01 -9.599784519e-01 -9.599784519e-01 4.423611035e+01 4.423611035e+01 2.08 1.544908230e+00 1.544908230e+00 2.199374205e+01 2.199374205e+01 -1.171666834e+00 -1.171666834e+00 -1.185534712e+00 -1.185534712e+00 3.441149961e+01 3.441149961e+01 2.10 6.492651822e-01 6.492651822e-01 1.663568472e+01 1.663568472e+01 -1.371532449e+00 -1.371532449e+00 -1.384670437e+00 -1.384670437e+00 2.659243124e+01 2.659243124e+01 2.12 -6.354631101e-02 -6.354631101e-02 1.239926042e+01 1.239926042e+01 -1.548209088e+00 -1.548209088e+00 -1.560674729e+00 -1.560674729e+00 2.037384887e+01 2.037384887e+01 2.14 -6.339473612e-01 -6.339473612e-01 9.052695608e+00 9.052695608e+00 -1.704329643e+00 -1.704329643e+00 -1.716164167e+00 -1.716164167e+00 1.543204192e+01 1.543204192e+01 2.16 -1.093284563e+00 -1.093284563e+00 6.411069810e+00 6.411069810e+00 -1.842037612e+00 -1.842037612e+00 -1.853271801e+00 -1.853271801e+00 1.150888142e+01 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