# 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 = AgNiPt2 # 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 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 7.675820488e+06 7.675820488e+06 0.88 7.017496601e+06 7.017496601e+06 0.90 6.417553729e+06 6.417553729e+06 0.92 5.869800780e+06 5.869800780e+06 0.94 5.368754457e+06 5.368754457e+06 0.96 4.909635883e+06 4.909635883e+06 0.98 4.488229271e+06 4.488229271e+06 1.00 4.100827971e+06 4.100827971e+06 1.02 3.744156706e+06 3.744156706e+06 1.04 3.415319133e+06 3.415319133e+06 1.06 3.111706769e+06 3.111706769e+06 1.08 2.831039092e+06 2.831039092e+06 1.10 2.571249458e+06 2.571249458e+06 1.12 2.330483829e+06 2.330483829e+06 1.14 2.107097963e+06 2.107097963e+06 1.16 1.899598815e+06 1.899598815e+06 1.18 1.706653538e+06 1.706653538e+06 1.20 1.527061273e+06 1.527061273e+06 1.22 1.359738971e+06 1.359738971e+06 1.24 1.203703860e+06 1.203703860e+06 1.26 1.058066299e+06 1.058066299e+06 1.28 9.220198465e+05 9.220198465e+05 1.30 7.948209727e+05 7.948209727e+05 1.32 6.757990847e+05 6.757990847e+05 1.34 5.649758235e+05 5.649758235e+05 1.36 4.669446534e+05 4.669446534e+05 1.38 3.806599670e+05 3.806599670e+05 1.40 3.044926196e+05 3.044926196e+05 1.42 2.417815407e+05 2.417815407e+05 1.44 1.921816714e+05 1.921816714e+05 1.46 1.528980380e+05 1.528980380e+05 1.48 1.217485038e+05 1.217485038e+05 1.50 9.701978111e+04 9.701978111e+04 1.52 7.736682437e+04 7.736682437e+04 1.54 6.173334326e+04 6.173334326e+04 1.56 4.928621736e+04 4.928621736e+04 1.58 3.936721740e+04 3.936721740e+04 1.60 3.145633545e+04 3.145633545e+04 1.62 2.514204566e+04 2.514204566e+04 1.64 2.009921019e+04 2.009921019e+04 1.66 1.606954873e+04 1.606954873e+04 1.68 1.284806463e+04 1.284806463e+04 1.70 1.027190374e+04 1.027190374e+04 1.72 8.211355073e+03 8.211355073e+03 1.74 6.562817125e+03 6.562817125e+03 1.76 5.243702363e+03 5.243702363e+03 1.78 4.188192227e+03 4.188192227e+03 1.80 3.343676078e+03 3.343676078e+03 1.82 2.668014171e+03 2.668014171e+03 1.84 2.127479565e+03 2.127479565e+03 1.86 1.695188350e+03 1.695188350e+03 1.88 1.349601491e+03 1.349601491e+03 1.90 1.073415275e+03 1.073415275e+03 1.92 8.527894186e+02 8.527894186e+02 1.94 6.766537826e+02 6.766537826e+02 1.96 5.361351111e+02 5.361351111e+02 1.98 4.241242622e+02 4.241242622e+02 2.00 3.349175872e+02 3.349175872e+02 2.02 2.639293371e+02 2.639293371e+02 2.04 2.074962620e+02 2.074962620e+02 2.06 1.626861355e+02 1.626861355e+02 2.08 1.271488679e+02 1.271488679e+02 2.10 9.900201274e+01 9.900201274e+01 2.12 7.673741416e+01 7.673741416e+01 2.14 5.915021614e+01 5.915021614e+01 2.16 4.527786052e+01 4.527786052e+01 2.18 3.434982515e+01 3.434982515e+01 2.20 2.575430372e+01 2.575430372e+01 2.22 1.900379433e+01 1.900379433e+01 2.24 1.371130395e+01 1.371130395e+01 2.26 9.568901182e+00 9.568901182e+00 2.28 6.332045898e+00 6.332045898e+00 2.30 3.806926362e+00 3.806926362e+00 2.32 1.840142838e+00 1.840142838e+00 2.34 3.105383156e-01 3.105383156e-01 2.36 -8.773608828e-01 -8.773608828e-01 2.38 -1.798600405e+00 -1.798600405e+00 2.40 -2.512018999e+00 -2.512018999e+00 2.42 -3.063625875e+00 -3.063625875e+00 2.44 -3.489306688e+00 -3.489306688e+00 2.46 -3.816964167e+00 -3.816964167e+00 2.48 -4.068176681e+00 -4.068176681e+00 2.50 -4.259604936e+00 -4.259604936e+00 2.52 -4.404090883e+00 -4.404090883e+00 2.54 -4.511501418e+00 -4.511501418e+00 2.56 -4.589366193e+00 -4.589366193e+00 2.58 -4.643459868e+00 -4.643459868e+00 2.60 -4.678202860e+00 -4.678202860e+00 2.62 -4.696974485e+00 -4.696974485e+00 2.64 -4.702364266e+00 -4.702364266e+00 2.66 -4.696366724e+00 -4.696366724e+00 2.68 -4.680531527e+00 -4.680531527e+00 2.70 -4.656078485e+00 -4.656078485e+00 2.72 -4.623976707e+00 -4.623976707e+00 2.74 -4.585005618e+00 -4.585005618e+00 2.76 -4.539835517e+00 -4.539835517e+00 2.78 -4.489046631e+00 -4.489046631e+00 2.80 -4.433154629e+00 -4.433154629e+00 2.82 -4.372629474e+00 -4.372629474e+00 2.84 -4.307877398e+00 -4.307877398e+00 2.86 -4.239247717e+00 -4.239247717e+00 2.88 -4.167131680e+00 -4.167131680e+00 2.90 -4.091907826e+00 -4.091907826e+00 2.92 -4.013941407e+00 -4.013941407e+00 2.94 -3.933585386e+00 -3.933585386e+00 2.96 -3.851152942e+00 -3.851152942e+00 2.98 -3.766892972e+00 -3.766892972e+00 3.00 -3.681084347e+00 -3.681084347e+00 3.02 -3.594019445e+00 -3.594019445e+00 3.04 -3.505982016e+00 -3.505982016e+00 3.06 -3.417242035e+00 -3.417242035e+00 3.08 -3.328055245e+00 -3.328055245e+00 3.10 -3.238662796e+00 -3.238662796e+00 3.12 -3.149290996e+00 -3.149290996e+00 3.14 -3.060151185e+00 -3.060151185e+00 3.16 -2.971439731e+00 -2.971439731e+00 3.18 -2.883338133e+00 -2.883338133e+00 3.20 -2.796013229e+00 -2.796013229e+00 3.22 -2.709617504e+00 -2.709617504e+00 3.24 -2.624289469e+00 -2.624289469e+00 3.26 -2.540154119e+00 -2.540154119e+00 3.28 -2.457323432e+00 -2.457323432e+00 3.30 -2.375896932e+00 -2.375896932e+00 3.32 -2.295957063e+00 -2.295957063e+00 3.34 -2.217519981e+00 -2.217519981e+00 3.36 -2.140635796e+00 -2.140635796e+00 3.38 -2.065362365e+00 -2.065362365e+00 3.40 -1.991748316e+00 -1.991748316e+00 3.42 -1.919833651e+00 -1.919833651e+00 3.44 -1.849650340e+00 -1.849650340e+00 3.46 -1.781220764e+00 -1.781220764e+00 3.48 -1.714531087e+00 -1.714531087e+00 3.50 -1.649582560e+00 -1.649582560e+00 3.52 -1.586381270e+00 -1.586381270e+00 3.54 -1.524928103e+00 -1.524928103e+00 3.56 -1.465219219e+00 -1.465219219e+00 3.58 -1.407246489e+00 -1.407246489e+00 3.60 -1.350997923e+00 -1.350997923e+00 3.62 -1.296458061e+00 -1.296458061e+00 3.64 -1.243608351e+00 -1.243608351e+00 3.66 -1.192427491e+00 -1.192427491e+00 3.68 -1.142891761e+00 -1.142891761e+00 3.70 -1.094975325e+00 -1.094975325e+00 3.72 -1.048650507e+00 -1.048650507e+00 3.74 -1.003888058e+00 -1.003888058e+00 3.76 -9.606573935e-01 -9.606573935e-01 3.78 -9.189268154e-01 -9.189268154e-01 3.80 -8.786637144e-01 -8.786637144e-01 3.82 -8.398347570e-01 -8.398347570e-01 3.84 -8.024060552e-01 -8.024060552e-01 3.86 -7.663433209e-01 -7.663433209e-01 3.88 -7.316120064e-01 -7.316120064e-01 3.90 -6.981774313e-01 -6.981774313e-01 3.92 -6.660048969e-01 -6.660048969e-01 3.94 -6.350597888e-01 -6.350597888e-01 3.96 -6.053076692e-01 -6.053076692e-01 3.98 -5.767143586e-01 -5.767143586e-01 4.00 -5.492460083e-01 -5.492460083e-01 4.02 -5.228691645e-01 -5.228691645e-01 4.04 -4.975508244e-01 -4.975508244e-01 4.06 -4.732584848e-01 -4.732584848e-01 4.08 -4.499601846e-01 -4.499601846e-01 4.10 -4.276245405e-01 -4.276245405e-01 4.12 -4.062207775e-01 -4.062207775e-01 4.14 -3.857187541e-01 -3.857187541e-01 4.16 -3.660889831e-01 -3.660889831e-01 4.18 -3.473026478e-01 -3.473026478e-01 4.20 -3.293316151e-01 -3.293316151e-01 4.22 -3.121387081e-01 -3.121387081e-01 4.24 -2.956875520e-01 -2.956875520e-01 4.26 -2.799529098e-01 -2.799529098e-01 4.28 -2.649102238e-01 -2.649102238e-01 4.30 -2.505356125e-01 -2.505356125e-01 4.32 -2.368058670e-01 -2.368058670e-01 4.34 -2.236984460e-01 -2.236984460e-01 4.36 -2.111914694e-01 -2.111914694e-01 4.38 -1.992637107e-01 -1.992637107e-01 4.40 -1.878945872e-01 -1.878945872e-01 4.42 -1.770641511e-01 -1.770641511e-01 4.44 -1.667530783e-01 -1.667530783e-01 4.46 -1.569426567e-01 -1.569426567e-01 4.48 -1.476147746e-01 -1.476147746e-01 4.50 -1.387519079e-01 -1.387519079e-01 4.52 -1.303371072e-01 -1.303371072e-01 4.54 -1.223539846e-01 -1.223539846e-01 4.56 -1.147867003e-01 -1.147867003e-01 4.58 -1.076199486e-01 -1.076199486e-01 4.60 -1.008389446e-01 -1.008389446e-01 4.62 -9.442940999e-02 -9.442940999e-02 4.64 -8.837755953e-02 -8.837755953e-02 4.66 -8.267008709e-02 -8.267008709e-02 4.68 -7.729415204e-02 -7.729415204e-02 4.70 -7.222918077e-02 -7.222918077e-02 4.72 -6.744326043e-02 -6.744326043e-02 4.74 -6.292523939e-02 -6.292523939e-02 4.76 -5.866533993e-02 -5.866533993e-02 4.78 -5.465412380e-02 -5.465412380e-02 4.80 -5.088248261e-02 -5.088248261e-02 4.82 -4.734162605e-02 -4.734162605e-02 4.84 -4.402307285e-02 -4.402307285e-02 4.86 -4.091478693e-02 -4.091478693e-02 4.88 -3.798602064e-02 -3.798602064e-02 4.90 -3.522053940e-02 -3.522053940e-02 4.92 -3.259990859e-02 -3.259990859e-02 4.94 -3.011851491e-02 -3.011851491e-02 4.96 -2.777136281e-02 -2.777136281e-02 4.98 -2.555361165e-02 -2.555361165e-02 5.00 -2.346040685e-02 -2.346040685e-02 5.02 -2.148710107e-02 -2.148710107e-02 5.04 -1.962942527e-02 -1.962942527e-02 5.06 -1.788323646e-02 -1.788323646e-02 5.08 -1.624451831e-02 -1.624451831e-02 5.10 -1.470938130e-02 -1.470938130e-02 5.12 -1.327406202e-02 -1.327406202e-02 5.14 -1.193492205e-02 -1.193492205e-02 5.16 -1.068844617e-02 -1.068844617e-02 5.18 -9.531240269e-03 -9.531240269e-03 5.20 -8.460028931e-03 -8.460028931e-03 5.22 -7.471652712e-03 -7.471652712e-03 5.24 -6.563065276e-03 -6.563065276e-03 5.26 -5.731330364e-03 -5.731330364e-03 5.28 -4.973618660e-03 -4.973618660e-03 5.30 -4.287204597e-03 -4.287204597e-03 5.32 -3.669463119e-03 -3.669463119e-03 5.34 -3.117866436e-03 -3.117866436e-03 5.36 -2.629980786e-03 -2.629980786e-03 5.38 -2.203463225e-03 -2.203463225e-03 5.40 -1.836058453e-03 -1.836058453e-03 5.42 -1.522674861e-03 -1.522674861e-03 5.44 -1.244079217e-03 -1.244079217e-03 5.46 -9.962906523e-04 -9.962906523e-04 5.48 -7.783246734e-04 -7.783246734e-04 5.50 -5.892281250e-04 -5.892281250e-04 5.52 -4.280782883e-04 -4.280782883e-04 5.54 -2.939819883e-04 -2.939819883e-04 5.56 -1.860747092e-04 -1.860747092e-04 5.58 -1.035197199e-04 -1.035197199e-04 5.60 -4.550721443e-05 -4.550721443e-05 5.62 -1.125346616e-05 -1.125346616e-05 5.64 2.901379962e-11 2.901379962e-11 5.66 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00