# 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 = AuNi2Pt # 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 6.270134691e+06 6.270134691e+06 0.88 5.721010181e+06 5.721010181e+06 0.90 5.220605930e+06 5.220605930e+06 0.92 4.763757436e+06 4.763757436e+06 0.94 4.345888747e+06 4.345888747e+06 0.96 3.962997895e+06 3.962997895e+06 0.98 3.611579332e+06 3.611579332e+06 1.00 3.288524842e+06 3.288524842e+06 1.02 2.991101981e+06 2.991101981e+06 1.04 2.716891186e+06 2.716891186e+06 1.06 2.463722054e+06 2.463722054e+06 1.08 2.229697133e+06 2.229697133e+06 1.10 2.013097500e+06 2.013097500e+06 1.12 1.812370473e+06 1.812370473e+06 1.14 1.626135005e+06 1.626135005e+06 1.16 1.453141200e+06 1.453141200e+06 1.18 1.292285235e+06 1.292285235e+06 1.20 1.142553568e+06 1.142553568e+06 1.22 1.003041890e+06 1.003041890e+06 1.24 8.729379262e+05 8.729379262e+05 1.26 7.515069672e+05 7.515069672e+05 1.28 6.380775474e+05 6.380775474e+05 1.30 5.321276739e+05 5.321276739e+05 1.32 4.355698227e+05 4.355698227e+05 1.34 3.487285998e+05 3.487285998e+05 1.36 2.753314563e+05 2.753314563e+05 1.38 2.175716108e+05 2.175716108e+05 1.40 1.721217403e+05 1.721217403e+05 1.42 1.363059542e+05 1.363059542e+05 1.44 1.080396685e+05 1.080396685e+05 1.46 8.570294975e+04 8.570294975e+04 1.48 6.803340740e+04 6.803340740e+04 1.50 5.404116768e+04 5.404116768e+04 1.52 4.294957672e+04 4.294957672e+04 1.54 3.415032097e+04 3.415032097e+04 1.56 2.716444780e+04 2.716444780e+04 1.58 2.161434977e+04 2.161434977e+04 1.60 1.720211239e+04 1.720211239e+04 1.62 1.369243835e+04 1.369243835e+04 1.64 1.089922991e+04 1.089922991e+04 1.66 8.675246550e+03 8.675246550e+03 1.68 6.903812484e+03 6.903812484e+03 1.70 5.492651938e+03 5.492651938e+03 1.72 4.368442422e+03 4.368442422e+03 1.74 3.472687299e+03 3.472687299e+03 1.76 2.758995930e+03 2.758995930e+03 1.78 2.190499891e+03 2.190499891e+03 1.80 1.737803188e+03 1.737803188e+03 1.82 1.377443607e+03 1.377443607e+03 1.84 1.090700879e+03 1.090700879e+03 1.86 8.626666980e+02 8.626666980e+02 1.88 6.814388921e+02 6.814388921e+02 1.90 5.374676340e+02 5.374676340e+02 1.92 4.231690691e+02 4.231690691e+02 1.94 3.325143076e+02 3.325143076e+02 1.96 2.606839098e+02 2.606839098e+02 1.98 2.038397424e+02 2.038397424e+02 2.00 1.589152863e+02 1.589152863e+02 2.02 1.234596215e+02 1.234596215e+02 2.04 9.551978611e+01 9.551978611e+01 2.06 7.353841066e+01 7.353841066e+01 2.08 5.627421559e+01 5.627421559e+01 2.10 4.273881771e+01 4.273881771e+01 2.12 3.214502119e+01 3.214502119e+01 2.14 2.386849352e+01 2.386849352e+01 2.16 1.741466256e+01 1.741466256e+01 2.18 1.239123836e+01 1.239123836e+01 2.20 8.488515221e+00 8.488515221e+00 2.22 5.462022616e+00 5.462022616e+00 2.24 3.119130439e+00 3.119130439e+00 2.26 1.308086501e+00 1.308086501e+00 2.28 -8.993903637e-02 -8.993903637e-02 2.30 -1.167840138e+00 -1.167840138e+00 2.32 -1.998160705e+00 -1.998160705e+00 2.34 -2.637370848e+00 -2.637370848e+00 2.36 -3.129275339e+00 -3.129275339e+00 2.38 -3.507726376e+00 -3.507726376e+00 2.40 -3.798784543e+00 -3.798784543e+00 2.42 -4.022428540e+00 -4.022428540e+00 2.44 -4.193898479e+00 -4.193898479e+00 2.46 -4.324750077e+00 -4.324750077e+00 2.48 -4.423737621e+00 -4.423737621e+00 2.50 -4.497463016e+00 -4.497463016e+00 2.52 -4.550885957e+00 -4.550885957e+00 2.54 -4.587716659e+00 -4.587716659e+00 2.56 -4.610667890e+00 -4.610667890e+00 2.58 -4.621792517e+00 -4.621792517e+00 2.60 -4.622647830e+00 -4.622647830e+00 2.62 -4.614417783e+00 -4.614417783e+00 2.64 -4.598018234e+00 -4.598018234e+00 2.66 -4.574175871e+00 -4.574175871e+00 2.68 -4.543486704e+00 -4.543486704e+00 2.70 -4.506458780e+00 -4.506458780e+00 2.72 -4.463539299e+00 -4.463539299e+00 2.74 -4.415133830e+00 -4.415133830e+00 2.76 -4.361634186e+00 -4.361634186e+00 2.78 -4.303420653e+00 -4.303420653e+00 2.80 -4.240867232e+00 -4.240867232e+00 2.82 -4.174343643e+00 -4.174343643e+00 2.84 -4.104186299e+00 -4.104186299e+00 2.86 -4.030721149e+00 -4.030721149e+00 2.88 -3.954306027e+00 -3.954306027e+00 2.90 -3.875294923e+00 -3.875294923e+00 2.92 -3.794034885e+00 -3.794034885e+00 2.94 -3.710864327e+00 -3.710864327e+00 2.96 -3.626077477e+00 -3.626077477e+00 2.98 -3.539943679e+00 -3.539943679e+00 3.00 -3.452701397e+00 -3.452701397e+00 3.02 -3.364623960e+00 -3.364623960e+00 3.04 -3.275979962e+00 -3.275979962e+00 3.06 -3.187022726e+00 -3.187022726e+00 3.08 -3.097989980e+00 -3.097989980e+00 3.10 -3.009103689e+00 -3.009103689e+00 3.12 -2.920570046e+00 -2.920570046e+00 3.14 -2.832579586e+00 -2.832579586e+00 3.16 -2.745307430e+00 -2.745307430e+00 3.18 -2.658913621e+00 -2.658913621e+00 3.20 -2.573543555e+00 -2.573543555e+00 3.22 -2.489328471e+00 -2.489328471e+00 3.24 -2.406386015e+00 -2.406386015e+00 3.26 -2.324820827e+00 -2.324820827e+00 3.28 -2.244725182e+00 -2.244725182e+00 3.30 -2.166179630e+00 -2.166179630e+00 3.32 -2.089250884e+00 -2.089250884e+00 3.34 -2.013965864e+00 -2.013965864e+00 3.36 -1.940365767e+00 -1.940365767e+00 3.38 -1.868492232e+00 -1.868492232e+00 3.40 -1.798378541e+00 -1.798378541e+00 3.42 -1.730050234e+00 -1.730050234e+00 3.44 -1.663525711e+00 -1.663525711e+00 3.46 -1.598807220e+00 -1.598807220e+00 3.48 -1.535864185e+00 -1.535864185e+00 3.50 -1.474694691e+00 -1.474694691e+00 3.52 -1.415295608e+00 -1.415295608e+00 3.54 -1.357659328e+00 -1.357659328e+00 3.56 -1.301774203e+00 -1.301774203e+00 3.58 -1.247624959e+00 -1.247624959e+00 3.60 -1.195193079e+00 -1.195193079e+00 3.62 -1.144457166e+00 -1.144457166e+00 3.64 -1.095393283e+00 -1.095393283e+00 3.66 -1.047975269e+00 -1.047975269e+00 3.68 -1.002175027e+00 -1.002175027e+00 3.70 -9.579628006e-01 -9.579628006e-01 3.72 -9.153074197e-01 -9.153074197e-01 3.74 -8.741765345e-01 -8.741765345e-01 3.76 -8.345368264e-01 -8.345368264e-01 3.78 -7.963542018e-01 -7.963542018e-01 3.80 -7.595939699e-01 -7.595939699e-01 3.82 -7.242210044e-01 -7.242210044e-01 3.84 -6.901998903e-01 -6.901998903e-01 3.86 -6.574950568e-01 -6.574950568e-01 3.88 -6.260708971e-01 -6.260708971e-01 3.90 -5.958918766e-01 -5.958918766e-01 3.92 -5.669226291e-01 -5.669226291e-01 3.94 -5.391280434e-01 -5.391280434e-01 3.96 -5.124733392e-01 -5.124733392e-01 3.98 -4.869241352e-01 -4.869241352e-01 4.00 -4.624465077e-01 -4.624465077e-01 4.02 -4.390070429e-01 -4.390070429e-01 4.04 -4.165728810e-01 -4.165728810e-01 4.06 -3.951117546e-01 -3.951117546e-01 4.08 -3.745920215e-01 -3.745920215e-01 4.10 -3.549826909e-01 -3.549826909e-01 4.12 -3.362534464e-01 -3.362534464e-01 4.14 -3.183746631e-01 -3.183746631e-01 4.16 -3.013174217e-01 -3.013174217e-01 4.18 -2.850535182e-01 -2.850535182e-01 4.20 -2.695554718e-01 -2.695554718e-01 4.22 -2.547719251e-01 -2.547719251e-01 4.24 -2.406524547e-01 -2.406524547e-01 4.26 -2.271737129e-01 -2.271737129e-01 4.28 -2.143130243e-01 -2.143130243e-01 4.30 -2.020483757e-01 -2.020483757e-01 4.32 -1.903584096e-01 -1.903584096e-01 4.34 -1.792224157e-01 -1.792224157e-01 4.36 -1.686203220e-01 -1.686203220e-01 4.38 -1.585326837e-01 -1.585326837e-01 4.40 -1.489406716e-01 -1.489406716e-01 4.42 -1.398260618e-01 -1.398260618e-01 4.44 -1.311712241e-01 -1.311712241e-01 4.46 -1.229591068e-01 -1.229591068e-01 4.48 -1.151730786e-01 -1.151730786e-01 4.50 -1.077970815e-01 -1.077970815e-01 4.52 -1.008159139e-01 -1.008159139e-01 4.54 -9.421475657e-02 -9.421475657e-02 4.56 -8.797899496e-02 -8.797899496e-02 4.58 -8.209503367e-02 -8.209503367e-02 4.60 -7.654971934e-02 -7.654971934e-02 4.62 -7.133026393e-02 -7.133026393e-02 4.64 -6.642426226e-02 -6.642426226e-02 4.66 -6.181970304e-02 -6.181970304e-02 4.68 -5.750497462e-02 -5.750497462e-02 4.70 -5.346572990e-02 -5.346572990e-02 4.72 -4.968351948e-02 -4.968351948e-02 4.74 -4.614808981e-02 -4.614808981e-02 4.76 -4.284993896e-02 -4.284993896e-02 4.78 -3.977991566e-02 -3.977991566e-02 4.80 -3.692921061e-02 -3.692921061e-02 4.82 -3.428934678e-02 -3.428934678e-02 4.84 -3.185216924e-02 -3.185216924e-02 4.86 -2.960302690e-02 -2.960302690e-02 4.88 -2.749392495e-02 -2.749392495e-02 4.90 -2.549970844e-02 -2.549970844e-02 4.92 -2.361005664e-02 -2.361005664e-02 4.94 -2.182109052e-02 -2.182109052e-02 4.96 -2.012906914e-02 -2.012906914e-02 4.98 -1.853038526e-02 -1.853038526e-02 5.00 -1.702156094e-02 -1.702156094e-02 5.02 -1.559924333e-02 -1.559924333e-02 5.04 -1.425997698e-02 -1.425997698e-02 5.06 -1.300051475e-02 -1.300051475e-02 5.08 -1.181802591e-02 -1.181802591e-02 5.10 -1.070974402e-02 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-2.197254084e-06 -2.197254084e-06 5.64 0.000000000e+00 0.000000000e+00 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