# 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 = AgCu2Ni # 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 3.447501995e+06 3.447501995e+06 0.88 3.113791666e+06 3.113791666e+06 0.90 2.809477984e+06 2.809477984e+06 0.92 2.531487382e+06 2.531487382e+06 0.94 2.277071689e+06 2.277071689e+06 0.96 2.043835999e+06 2.043835999e+06 0.98 1.829594927e+06 1.829594927e+06 1.00 1.632500711e+06 1.632500711e+06 1.02 1.450879850e+06 1.450879850e+06 1.04 1.283275404e+06 1.283275404e+06 1.06 1.128406456e+06 1.128406456e+06 1.08 9.851092323e+05 9.851092323e+05 1.10 8.523629822e+05 8.523629822e+05 1.12 7.292606195e+05 7.292606195e+05 1.14 6.149595861e+05 6.149595861e+05 1.16 5.086713457e+05 5.086713457e+05 1.18 4.100135095e+05 4.100135095e+05 1.20 3.225823500e+05 3.225823500e+05 1.22 2.530037911e+05 2.530037911e+05 1.24 1.988087438e+05 1.988087438e+05 1.26 1.565074709e+05 1.565074709e+05 1.28 1.234228022e+05 1.234228022e+05 1.30 9.749194126e+04 9.749194126e+04 1.32 7.712744120e+04 7.712744120e+04 1.34 6.110008501e+04 6.110008501e+04 1.36 4.846510089e+04 4.846510089e+04 1.38 3.848872788e+04 3.848872788e+04 1.40 3.059889192e+04 3.059889192e+04 1.42 2.435090639e+04 2.435090639e+04 1.44 1.939640961e+04 1.939640961e+04 1.46 1.546236211e+04 1.546236211e+04 1.48 1.233376456e+04 1.233376456e+04 1.50 9.842697558e+03 9.842697558e+03 1.52 7.857708133e+03 7.857708133e+03 1.54 6.274989556e+03 6.274989556e+03 1.56 5.012185168e+03 5.012185168e+03 1.58 4.004077585e+03 4.004077585e+03 1.60 3.199009656e+03 3.199009656e+03 1.62 2.555895121e+03 2.555895121e+03 1.64 2.041967018e+03 2.041967018e+03 1.66 1.631127631e+03 1.631127631e+03 1.68 1.302498325e+03 1.302498325e+03 1.70 1.039545464e+03 1.039545464e+03 1.72 8.291870942e+02 8.291870942e+02 1.74 6.609279431e+02 6.609279431e+02 1.76 5.263741789e+02 5.263741789e+02 1.78 4.188006742e+02 4.188006742e+02 1.80 3.328251626e+02 3.328251626e+02 1.82 2.641552349e+02 2.641552349e+02 1.84 2.093457102e+02 2.093457102e+02 1.86 1.656317446e+02 1.656317446e+02 1.88 1.307948943e+02 1.307948943e+02 1.90 1.030484931e+02 1.030484931e+02 1.92 8.096509499e+01 8.096509499e+01 1.94 6.340471389e+01 6.340471389e+01 1.96 4.944928119e+01 4.944928119e+01 1.98 3.837114717e+01 3.837114717e+01 2.00 2.958357476e+01 2.958357476e+01 2.02 2.261779117e+01 2.261779117e+01 2.04 1.710321424e+01 1.710321424e+01 2.06 1.274327277e+01 1.274327277e+01 2.08 9.300408054e+00 9.300408054e+00 2.10 6.584625881e+00 6.584625881e+00 2.12 4.444193226e+00 4.444193226e+00 2.14 2.758222209e+00 2.758222209e+00 2.16 1.430598501e+00 1.430598501e+00 2.18 3.849902505e-01 3.849902505e-01 2.20 -4.389891900e-01 -4.389891900e-01 2.22 -1.088992306e+00 -1.088992306e+00 2.24 -1.602537764e+00 -1.602537764e+00 2.26 -2.009122398e+00 -2.009122398e+00 2.28 -2.331846587e+00 -2.331846587e+00 2.30 -2.588770385e+00 -2.588770385e+00 2.32 -2.793968488e+00 -2.793968488e+00 2.34 -2.958370294e+00 -2.958370294e+00 2.36 -3.090432002e+00 -3.090432002e+00 2.38 -3.196673037e+00 -3.196673037e+00 2.40 -3.282103030e+00 -3.282103030e+00 2.42 -3.350560661e+00 -3.350560661e+00 2.44 -3.404976741e+00 -3.404976741e+00 2.46 -3.447576434e+00 -3.447576434e+00 2.48 -3.480066148e+00 -3.480066148e+00 2.50 -3.503756420e+00 -3.503756420e+00 2.52 -3.519621010e+00 -3.519621010e+00 2.54 -3.528453001e+00 -3.528453001e+00 2.56 -3.530849199e+00 -3.530849199e+00 2.58 -3.527326181e+00 -3.527326181e+00 2.60 -3.518331045e+00 -3.518331045e+00 2.62 -3.504155037e+00 -3.504155037e+00 2.64 -3.485033324e+00 -3.485033324e+00 2.66 -3.461284062e+00 -3.461284062e+00 2.68 -3.433206130e+00 -3.433206130e+00 2.70 -3.401085492e+00 -3.401085492e+00 2.72 -3.365199549e+00 -3.365199549e+00 2.74 -3.325819870e+00 -3.325819870e+00 2.76 -3.283213737e+00 -3.283213737e+00 2.78 -3.237644822e+00 -3.237644822e+00 2.80 -3.189373249e+00 -3.189373249e+00 2.82 -3.138655254e+00 -3.138655254e+00 2.84 -3.085729118e+00 -3.085729118e+00 2.86 -3.030827210e+00 -3.030827210e+00 2.88 -2.974188961e+00 -2.974188961e+00 2.90 -2.916046949e+00 -2.916046949e+00 2.92 -2.856626168e+00 -2.856626168e+00 2.94 -2.796143360e+00 -2.796143360e+00 2.96 -2.734784553e+00 -2.734784553e+00 2.98 -2.672684559e+00 -2.672684559e+00 3.00 -2.609991944e+00 -2.609991944e+00 3.02 -2.546877930e+00 -2.546877930e+00 3.04 -2.483509939e+00 -2.483509939e+00 3.06 -2.420027228e+00 -2.420027228e+00 3.08 -2.356475076e+00 -2.356475076e+00 3.10 -2.292974787e+00 -2.292974787e+00 3.12 -2.229654129e+00 -2.229654129e+00 3.14 -2.166631836e+00 -2.166631836e+00 3.16 -2.104017811e+00 -2.104017811e+00 3.18 -2.041913366e+00 -2.041913366e+00 3.20 -1.980411485e+00 -1.980411485e+00 3.22 -1.919597118e+00 -1.919597118e+00 3.24 -1.859547487e+00 -1.859547487e+00 3.26 -1.800332409e+00 -1.800332409e+00 3.28 -1.742014629e+00 -1.742014629e+00 3.30 -1.684650159e+00 -1.684650159e+00 3.32 -1.628288622e+00 -1.628288622e+00 3.34 -1.572973593e+00 -1.572973593e+00 3.36 -1.518742943e+00 -1.518742943e+00 3.38 -1.465629173e+00 -1.465629173e+00 3.40 -1.413659748e+00 -1.413659748e+00 3.42 -1.362857420e+00 -1.362857420e+00 3.44 -1.313240540e+00 -1.313240540e+00 3.46 -1.264821067e+00 -1.264821067e+00 3.48 -1.217575740e+00 -1.217575740e+00 3.50 -1.171501155e+00 -1.171501155e+00 3.52 -1.126602109e+00 -1.126602109e+00 3.54 -1.082880461e+00 -1.082880461e+00 3.56 -1.040335379e+00 -1.040335379e+00 3.58 -9.989635608e-01 -9.989635608e-01 3.60 -9.587594530e-01 -9.587594530e-01 3.62 -9.197154538e-01 -9.197154538e-01 3.64 -8.818221054e-01 -8.818221054e-01 3.66 -8.450682757e-01 -8.450682757e-01 3.68 -8.094413282e-01 -8.094413282e-01 3.70 -7.749272827e-01 -7.749272827e-01 3.72 -7.415109646e-01 -7.415109646e-01 3.74 -7.091761454e-01 -7.091761454e-01 3.76 -6.779056728e-01 -6.779056728e-01 3.78 -6.476815927e-01 -6.476815927e-01 3.80 -6.184852619e-01 -6.184852619e-01 3.82 -5.902974533e-01 -5.902974533e-01 3.84 -5.630984521e-01 -5.630984521e-01 3.86 -5.368681461e-01 -5.368681461e-01 3.88 -5.115861077e-01 -5.115861077e-01 3.90 -4.872316702e-01 -4.872316702e-01 3.92 -4.637839967e-01 -4.637839967e-01 3.94 -4.412221448e-01 -4.412221448e-01 3.96 -4.195251238e-01 -4.195251238e-01 3.98 -3.986719484e-01 -3.986719484e-01 4.00 -3.786416865e-01 -3.786416865e-01 4.02 -3.594135024e-01 -3.594135024e-01 4.04 -3.409666969e-01 -3.409666969e-01 4.06 -3.232807417e-01 -3.232807417e-01 4.08 -3.063353116e-01 -3.063353116e-01 4.10 -2.901103122e-01 -2.901103122e-01 4.12 -2.745859052e-01 -2.745859052e-01 4.14 -2.597425304e-01 -2.597425304e-01 4.16 -2.455609246e-01 -2.455609246e-01 4.18 -2.320221383e-01 -2.320221383e-01 4.20 -2.191075509e-01 -2.191075509e-01 4.22 -2.067890116e-01 -2.067890116e-01 4.24 -1.950388421e-01 -1.950388421e-01 4.26 -1.838403091e-01 -1.838403091e-01 4.28 -1.731770183e-01 -1.731770183e-01 4.30 -1.630329185e-01 -1.630329185e-01 4.32 -1.533885319e-01 -1.533885319e-01 4.34 -1.441865331e-01 -1.441865331e-01 4.36 -1.354018538e-01 -1.354018538e-01 4.38 -1.270218283e-01 -1.270218283e-01 4.40 -1.190340918e-01 -1.190340918e-01 4.42 -1.114265786e-01 -1.114265786e-01 4.44 -1.041875217e-01 -1.041875217e-01 4.46 -9.730545024e-02 -9.730545024e-02 4.48 -9.076918744e-02 -9.076918744e-02 4.50 -8.456784765e-02 -8.456784765e-02 4.52 -7.869083381e-02 -7.869083381e-02 4.54 -7.312783201e-02 -7.312783201e-02 4.56 -6.786880884e-02 -6.786880884e-02 4.58 -6.290400739e-02 -6.290400739e-02 4.60 -5.822394089e-02 -5.822394089e-02 4.62 -5.381939025e-02 -5.381939025e-02 4.64 -4.968126399e-02 -4.968126399e-02 4.66 -4.580073439e-02 -4.580073439e-02 4.68 -4.216914311e-02 -4.216914311e-02 4.70 -3.877854434e-02 -3.877854434e-02 4.72 -3.562130462e-02 -3.562130462e-02 4.74 -3.268988395e-02 -3.268988395e-02 4.76 -2.997686939e-02 -2.997686939e-02 4.78 -2.747500133e-02 -2.747500133e-02 4.80 -2.517719360e-02 -2.517719360e-02 4.82 -2.307654669e-02 -2.307654669e-02 4.84 -2.116635822e-02 -2.116635822e-02 4.86 -1.943753892e-02 -1.943753892e-02 4.88 -1.786857014e-02 -1.786857014e-02 4.90 -1.644574097e-02 -1.644574097e-02 4.92 -1.515151577e-02 -1.515151577e-02 4.94 -1.398120647e-02 -1.398120647e-02 4.96 -1.293072915e-02 -1.293072915e-02 4.98 -1.199613603e-02 -1.199613603e-02 5.00 -1.113929481e-02 -1.113929481e-02 5.02 -1.032380475e-02 -1.032380475e-02 5.04 -9.548460073e-03 -9.548460073e-03 5.06 -8.812077177e-03 -8.812077177e-03 5.08 -8.113495640e-03 -8.113495640e-03 5.10 -7.451579410e-03 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-7.556498200e-06 -7.556498200e-06 5.64 1.948272213e-11 1.948272213e-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