# 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 = AuNi # 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 5.353252213e+06 5.353252213e+06 5.343305379e+06 5.343305379e+06 nan nan 0.70 nan nan nan nan 4.763697681e+06 4.763697681e+06 4.754686144e+06 4.754686144e+06 nan nan 0.72 nan nan nan nan 4.238904590e+06 4.238904590e+06 4.230760508e+06 4.230760508e+06 nan nan 0.74 nan nan nan nan 3.770368768e+06 3.770368768e+06 3.763000305e+06 3.763000305e+06 nan nan 0.76 nan nan nan nan 3.350837221e+06 3.350837221e+06 3.344181153e+06 3.344181153e+06 nan nan 0.78 5.461816058e+06 5.461816058e+06 nan nan 2.974181025e+06 2.974181025e+06 2.968168419e+06 2.968168419e+06 nan nan 0.80 4.932963509e+06 4.932963509e+06 nan nan 2.635176933e+06 2.635176933e+06 2.629735940e+06 2.629735940e+06 nan nan 0.82 4.455254022e+06 4.455254022e+06 nan nan 2.329333929e+06 2.329333929e+06 2.324380653e+06 2.324380653e+06 nan nan 0.84 4.022763906e+06 4.022763906e+06 nan nan 2.052774678e+06 2.052774678e+06 2.048232185e+06 2.048232185e+06 nan nan 0.86 3.630340092e+06 3.630340092e+06 5.227294470e+06 5.227294470e+06 1.802115271e+06 1.802115271e+06 1.797963192e+06 1.797963192e+06 nan nan 0.88 3.273537005e+06 3.273537005e+06 4.760352793e+06 4.760352793e+06 1.574447262e+06 1.574447262e+06 1.570678154e+06 1.570678154e+06 5.102663335e+06 5.102663335e+06 0.90 2.948478567e+06 2.948478567e+06 4.334695757e+06 4.334695757e+06 1.367280609e+06 1.367280609e+06 1.363857495e+06 1.363857495e+06 4.654228899e+06 4.654228899e+06 0.92 2.651755588e+06 2.651755588e+06 3.945949684e+06 3.945949684e+06 1.178417277e+06 1.178417277e+06 1.175322799e+06 1.175322799e+06 4.244625068e+06 4.244625068e+06 0.94 2.380418135e+06 2.380418135e+06 3.590242856e+06 3.590242856e+06 1.005954277e+06 1.005954277e+06 1.003154402e+06 1.003154402e+06 3.869783915e+06 3.869783915e+06 0.96 2.131879320e+06 2.131879320e+06 3.264194899e+06 3.264194899e+06 8.482086411e+05 8.482086411e+05 8.456584537e+05 8.456584537e+05 3.526148837e+06 3.526148837e+06 0.98 1.903814513e+06 1.903814513e+06 2.964823776e+06 2.964823776e+06 7.036751818e+05 7.036751818e+05 7.013429462e+05 7.013429462e+05 3.210574041e+06 3.210574041e+06 1.00 1.694195904e+06 1.694195904e+06 2.689482764e+06 2.689482764e+06 5.710352108e+05 5.710352108e+05 5.689040537e+05 5.689040537e+05 2.920293375e+06 2.920293375e+06 1.02 1.501256232e+06 1.501256232e+06 2.435858064e+06 2.435858064e+06 4.491186427e+05 4.491186427e+05 4.471848867e+05 4.471848867e+05 2.652889479e+06 2.652889479e+06 1.04 1.323451452e+06 1.323451452e+06 2.201911339e+06 2.201911339e+06 3.394354294e+05 3.394354294e+05 3.378547195e+05 3.378547195e+05 2.406213973e+06 2.406213973e+06 1.06 1.159364895e+06 1.159364895e+06 1.985815285e+06 1.985815285e+06 2.552013643e+05 2.552013643e+05 2.540443053e+05 2.540443053e+05 2.178348884e+06 2.178348884e+06 1.08 1.007720555e+06 1.007720555e+06 1.785965426e+06 1.785965426e+06 1.924045210e+05 1.924045210e+05 1.915507921e+05 1.915507921e+05 1.967565757e+06 1.967565757e+06 1.10 8.674070877e+05 8.674070877e+05 1.600891809e+06 1.600891809e+06 1.454386484e+05 1.454386484e+05 1.448055556e+05 1.448055556e+05 1.772327081e+06 1.772327081e+06 1.12 7.374156319e+05 7.374156319e+05 1.429285135e+06 1.429285135e+06 1.102029771e+05 1.102029771e+05 1.097319253e+05 1.097319253e+05 1.591259321e+06 1.591259321e+06 1.14 6.168373897e+05 6.168373897e+05 1.269975072e+06 1.269975072e+06 8.369074104e+04 8.369074104e+04 8.333825917e+04 8.333825917e+04 1.423136339e+06 1.423136339e+06 1.16 5.048664160e+05 5.048664160e+05 1.121896189e+06 1.121896189e+06 6.368458800e+04 6.368458800e+04 6.342312950e+04 6.342312950e+04 1.266840984e+06 1.266840984e+06 1.18 4.007767608e+05 4.007767608e+05 9.841177126e+05 9.841177126e+05 4.855130360e+04 4.855130360e+04 4.835933069e+04 4.835933069e+04 1.121381776e+06 1.121381776e+06 1.20 3.106020201e+05 3.106020201e+05 8.557784927e+05 8.557784927e+05 3.707832239e+04 3.707832239e+04 3.693914490e+04 3.693914490e+04 9.858722151e+05 9.858722151e+05 1.22 2.410584109e+05 2.410584109e+05 7.361057702e+05 7.361057702e+05 2.836205509e+04 2.836205509e+04 2.826227446e+04 2.826227446e+04 8.595130864e+05 8.595130864e+05 1.24 1.874254763e+05 1.874254763e+05 6.244215867e+05 6.244215867e+05 2.172735633e+04 2.172735633e+04 2.165578332e+04 2.165578332e+04 7.415664526e+05 7.415664526e+05 1.26 1.459701910e+05 1.459701910e+05 5.201133331e+05 5.201133331e+05 1.666829964e+04 1.666829964e+04 1.661634927e+04 1.661634927e+04 6.313703285e+05 6.313703285e+05 1.28 1.138638531e+05 1.138638531e+05 4.226162292e+05 4.226162292e+05 1.280428264e+04 1.280428264e+04 1.276550145e+04 1.276550145e+04 5.283263386e+05 5.283263386e+05 1.30 8.895164244e+04 8.895164244e+04 3.345315913e+05 3.345315913e+05 9.847598944e+03 9.847598944e+03 9.818163604e+03 9.818163604e+03 4.318932660e+05 4.318932660e+05 1.32 6.958191717e+04 6.958191717e+04 2.644352752e+05 2.644352752e+05 7.581593057e+03 7.581593057e+03 7.559114107e+03 7.559114107e+03 3.437571983e+05 3.437571983e+05 1.34 5.449550218e+04 5.449550218e+04 2.093350461e+05 2.093350461e+05 5.842306071e+03 5.842306071e+03 5.825221084e+03 5.825221084e+03 2.727580923e+05 2.727580923e+05 1.36 4.272631428e+04 4.272631428e+04 1.659450360e+05 1.659450360e+05 4.505579382e+03 4.505579382e+03 4.492669973e+03 4.492669973e+03 2.167334922e+05 2.167334922e+05 1.38 3.353100534e+04 3.353100534e+04 1.317170652e+05 1.317170652e+05 3.477186465e+03 3.477186465e+03 3.467502571e+03 3.467502571e+03 1.724442978e+05 1.724442978e+05 1.40 2.633629816e+04 2.633629816e+04 1.046709050e+05 1.046709050e+05 2.685191219e+03 2.685191219e+03 2.678019622e+03 2.678019622e+03 1.373741201e+05 1.373741201e+05 1.42 2.070063771e+04 2.070063771e+04 8.326776054e+04 8.326776054e+04 2.074807797e+03 2.074807797e+03 2.069558039e+03 2.069558039e+03 1.095613314e+05 1.095613314e+05 1.44 1.628159733e+04 1.628159733e+04 6.630407776e+04 6.630407776e+04 1.604007215e+03 1.604007215e+03 1.600215045e+03 1.600215045e+03 8.747014435e+04 8.747014435e+04 1.46 1.281343839e+04 1.281343839e+04 5.284156927e+04 5.284156927e+04 1.240632449e+03 1.240632449e+03 1.237932005e+03 1.237932005e+03 6.990009483e+04 6.990009483e+04 1.48 1.008912897e+04 1.008912897e+04 4.214597385e+04 4.214597385e+04 9.600522797e+02 9.600522797e+02 9.581243538e+02 9.581243538e+02 5.590868470e+04 5.590868470e+04 1.50 7.947323541e+03 7.947323541e+03 3.363874056e+04 3.363874056e+04 7.432993270e+02 7.432993270e+02 7.419167190e+02 7.419167190e+02 4.475422845e+04 4.475422845e+04 1.52 6.262229589e+03 6.262229589e+03 2.686454460e+04 2.686454460e+04 5.757537934e+02 5.757537934e+02 5.747814425e+02 5.747814425e+02 3.585092605e+04 3.585092605e+04 1.54 4.935412117e+03 4.935412117e+03 2.146586168e+04 2.146586168e+04 4.462131582e+02 4.462131582e+02 4.455480738e+02 4.455480738e+02 2.873645170e+04 2.873645170e+04 1.56 3.890034083e+03 3.890034083e+03 1.715990795e+04 1.715990795e+04 3.460250397e+02 3.460250397e+02 3.455798777e+02 3.455798777e+02 2.304634989e+04 2.304634989e+04 1.58 3.065995605e+03 3.065995605e+03 1.372289169e+04 1.372289169e+04 2.685123609e+02 2.685123609e+02 2.682115427e+02 2.682115427e+02 1.849136678e+04 1.849136678e+04 1.60 2.416201732e+03 2.416201732e+03 1.097779635e+04 1.097779635e+04 2.085327989e+02 2.085327989e+02 2.083228419e+02 2.083228419e+02 1.484178545e+04 1.484178545e+04 1.62 1.903749919e+03 1.903749919e+03 8.784120884e+03 8.784120884e+03 1.621096927e+02 1.621096927e+02 1.619538502e+02 1.619538502e+02 1.191565531e+04 1.191565531e+04 1.64 1.499516037e+03 1.499516037e+03 7.029898215e+03 7.029898215e+03 1.261625248e+02 1.261625248e+02 1.260397699e+02 1.260397699e+02 9.568236174e+03 9.568236174e+03 1.66 1.180625040e+03 1.180625040e+03 5.626151619e+03 5.626151619e+03 9.831133387e+01 9.831133387e+01 9.820976963e+01 9.820976963e+01 7.684149423e+03 7.684149423e+03 1.68 9.291024465e+02 9.291024465e+02 4.502187611e+03 4.502187611e+03 7.671317076e+01 7.671317076e+01 7.662710498e+01 7.662710498e+01 6.171238777e+03 6.171238777e+03 1.70 7.307630916e+02 7.307630916e+02 3.602078446e+03 3.602078446e+03 5.995153124e+01 5.995153124e+01 5.987711983e+01 5.987711983e+01 4.955896080e+03 4.955896080e+03 1.72 5.743771479e+02 5.743771479e+02 2.881178862e+03 2.881178862e+03 4.692989071e+01 4.692989071e+01 4.686420736e+01 4.686420736e+01 3.979301363e+03 3.979301363e+03 1.74 4.510884755e+02 4.510884755e+02 2.303674928e+03 2.303674928e+03 3.679519772e+01 3.679519772e+01 3.673636548e+01 3.673636548e+01 3.194433698e+03 3.194433698e+03 1.76 3.539372844e+02 3.539372844e+02 1.841026019e+03 1.841026019e+03 2.889174710e+01 2.889174710e+01 2.883887726e+01 2.883887726e+01 2.563599282e+03 2.563599282e+03 1.78 2.774265713e+02 2.774265713e+02 1.470457892e+03 1.470457892e+03 2.271445743e+01 2.271445743e+01 2.266662862e+01 2.266662862e+01 2.056565339e+03 2.056565339e+03 1.80 2.172018760e+02 2.172018760e+02 1.173718250e+03 1.173718250e+03 1.787215004e+01 1.787215004e+01 1.782845782e+01 1.782845782e+01 1.649035273e+03 1.649035273e+03 1.82 1.698234042e+02 1.698234042e+02 9.361732148e+02 9.361732148e+02 1.406213366e+01 1.406213366e+01 1.402140730e+01 1.402140730e+01 1.321496114e+03 1.321496114e+03 1.84 1.325786313e+02 1.325786313e+02 7.460867233e+02 7.460867233e+02 1.105043529e+01 1.105043529e+01 1.101171890e+01 1.101171890e+01 1.058239443e+03 1.058239443e+03 1.86 1.033220280e+02 1.033220280e+02 5.940446585e+02 5.940446585e+02 8.656404996e+00 8.656404996e+00 8.619230078e+00 8.619230078e+00 8.467078596e+02 8.467078596e+02 1.88 8.035710285e+01 8.035710285e+01 4.724934785e+02 4.724934785e+02 6.740725208e+00 6.740725208e+00 6.704956433e+00 6.704956433e+00 6.768001502e+02 6.768001502e+02 1.90 6.233762748e+01 6.233762748e+01 3.753284217e+02 3.753284217e+02 5.195934008e+00 5.195934008e+00 5.161681245e+00 5.161681245e+00 5.403892380e+02 5.403892380e+02 1.92 4.820633564e+01 4.820633564e+01 2.976903790e+02 2.976903790e+02 3.939638923e+00 3.939638923e+00 3.907034084e+00 3.907034084e+00 4.309382481e+02 4.309382481e+02 1.94 3.713173762e+01 3.713173762e+01 2.357047792e+02 2.357047792e+02 2.908582317e+00 2.908582317e+00 2.877699016e+00 2.877699016e+00 3.431799080e+02 3.431799080e+02 1.96 2.845732018e+01 2.845732018e+01 1.862529417e+02 1.862529417e+02 2.054140257e+00 2.054140257e+00 2.025014257e+00 2.025014257e+00 2.728654755e+02 2.728654755e+02 1.98 2.166525194e+01 2.166525194e+01 1.468405307e+02 1.468405307e+02 1.339054494e+00 1.339054494e+00 1.311673671e+00 1.311673671e+00 2.165703153e+02 2.165703153e+02 2.00 1.634620199e+01 1.634620199e+01 1.154628847e+02 1.154628847e+02 7.347247124e-01 7.347247124e-01 7.090443066e-01 7.090443066e-01 1.715402447e+02 1.715402447e+02 2.02 1.217876512e+01 1.217876512e+01 9.050641394e+01 9.050641394e+01 2.192140438e-01 2.192140438e-01 1.951683161e-01 1.951683161e-01 1.355573691e+02 1.355573691e+02 2.04 8.912197218e+00 8.912197218e+00 7.068089591e+01 7.068089591e+01 -2.242743742e-01 -2.242743742e-01 -2.467749560e-01 -2.467749560e-01 1.068344579e+02 1.068344579e+02 2.06 6.349469070e+00 6.349469070e+00 5.495143873e+01 5.495143873e+01 -6.086551309e-01 -6.086551309e-01 -6.297145118e-01 -6.297145118e-01 8.393204172e+01 8.393204172e+01 2.08 4.335956515e+00 4.335956515e+00 4.248784013e+01 4.248784013e+01 -9.438826429e-01 -9.438826429e-01 -9.636115943e-01 -9.636115943e-01 6.568950440e+01 6.568950440e+01 2.10 2.750544625e+00 2.750544625e+00 3.262471502e+01 3.262471502e+01 -1.237656931e+00 -1.237656931e+00 -1.256157568e+00 -1.256157568e+00 5.117347752e+01 5.117347752e+01 2.12 1.498559295e+00 1.498559295e+00 2.482889906e+01 2.482889906e+01 -1.495942836e+00 -1.495942836e+00 -1.513301873e+00 -1.513301873e+00 3.963415971e+01 3.963415971e+01 2.14 5.061557297e-01 5.061557297e-01 1.867428237e+01 1.867428237e+01 -1.723411005e+00 -1.723411005e+00 -1.739705722e+00 -1.739705722e+00 3.047191648e+01 3.047191648e+01 2.16 -2.841320252e-01 -2.841320252e-01 1.382095991e+01 1.382095991e+01 -1.923782292e+00 -1.923782292e+00 -1.939081711e+00 -1.939081711e+00 2.320639831e+01 2.320639831e+01 2.18 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