# 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 = AgCu2Pd # 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 3.234375035e+06 3.234375035e+06 0.88 2.939337105e+06 2.939337105e+06 0.90 2.670141988e+06 2.670141988e+06 0.92 2.424073781e+06 2.424073781e+06 0.94 2.198749180e+06 2.198749180e+06 0.96 1.992057323e+06 1.992057323e+06 0.98 1.802094802e+06 1.802094802e+06 1.00 1.627244432e+06 1.627244432e+06 1.02 1.466048343e+06 1.466048343e+06 1.04 1.317201388e+06 1.317201388e+06 1.06 1.179568060e+06 1.179568060e+06 1.08 1.052125922e+06 1.052125922e+06 1.10 9.339650979e+05 9.339650979e+05 1.12 8.242955320e+05 8.242955320e+05 1.14 7.223893118e+05 7.223893118e+05 1.16 6.275529826e+05 6.275529826e+05 1.18 5.391908158e+05 5.391908158e+05 1.20 4.567905541e+05 4.567905541e+05 1.22 3.798918595e+05 3.798918595e+05 1.24 3.085578724e+05 3.085578724e+05 1.26 2.449826014e+05 2.449826014e+05 1.28 1.944677161e+05 1.944677161e+05 1.30 1.546488775e+05 1.546488775e+05 1.32 1.231880683e+05 1.231880683e+05 1.34 9.827335688e+04 9.827335688e+04 1.36 7.850926170e+04 7.850926170e+04 1.38 6.280483904e+04 6.280483904e+04 1.40 5.030428789e+04 5.030428789e+04 1.42 4.033909037e+04 4.033909037e+04 1.44 3.238307266e+04 3.238307266e+04 1.46 2.602184365e+04 2.602184365e+04 1.48 2.092767217e+04 2.092767217e+04 1.50 1.684307402e+04 1.684307402e+04 1.52 1.356480775e+04 1.356480775e+04 1.54 1.093136731e+04 1.093136731e+04 1.56 8.813811514e+03 8.813811514e+03 1.58 7.109248725e+03 7.109248725e+03 1.60 5.736028844e+03 5.736028844e+03 1.62 4.629183955e+03 4.629183955e+03 1.64 3.736661122e+03 3.736661122e+03 1.66 3.016655643e+03 3.016655643e+03 1.68 2.435380666e+03 2.435380666e+03 1.70 1.965876563e+03 1.965876563e+03 1.72 1.586612190e+03 1.586612190e+03 1.74 1.280218083e+03 1.280218083e+03 1.76 1.032670185e+03 1.032670185e+03 1.78 8.326346536e+02 8.326346536e+02 1.80 6.709667641e+02 6.709667641e+02 1.82 5.403143816e+02 5.403143816e+02 1.84 4.347597750e+02 4.347597750e+02 1.86 3.495134158e+02 3.495134158e+02 1.88 2.806966714e+02 2.806966714e+02 1.90 2.251623811e+02 2.251623811e+02 1.92 1.803644550e+02 1.803644550e+02 1.94 1.442449692e+02 1.442449692e+02 1.96 1.151294315e+02 1.151294315e+02 1.98 9.167606387e+01 9.167606387e+01 2.00 7.279273150e+01 7.279273150e+01 2.02 5.759501962e+01 5.759501962e+01 2.04 4.537478663e+01 4.537478663e+01 2.06 3.555885537e+01 3.555885537e+01 2.08 2.768231439e+01 2.768231439e+01 2.10 2.136655676e+01 2.136655676e+01 2.12 1.630707502e+01 1.630707502e+01 2.14 1.225830912e+01 1.225830912e+01 2.16 9.021224029e+00 9.021224029e+00 2.18 6.435547747e+00 6.435547747e+00 2.20 4.372225658e+00 4.372225658e+00 2.22 2.727308038e+00 2.727308038e+00 2.24 1.417057593e+00 1.417057593e+00 2.26 3.740737233e-01 3.740737233e-01 2.28 -4.556901716e-01 -4.556901716e-01 2.30 -1.115454898e+00 -1.115454898e+00 2.32 -1.639802653e+00 -1.639802653e+00 2.34 -2.056336868e+00 -2.056336868e+00 2.36 -2.387042157e+00 -2.387042157e+00 2.38 -2.649395675e+00 -2.649395675e+00 2.40 -2.857253465e+00 -2.857253465e+00 2.42 -3.021574385e+00 -3.021574385e+00 2.44 -3.151005637e+00 -3.151005637e+00 2.46 -3.252353400e+00 -3.252353400e+00 2.48 -3.330960768e+00 -3.330960768e+00 2.50 -3.391013956e+00 -3.391013956e+00 2.52 -3.435757133e+00 -3.435757133e+00 2.54 -3.467761792e+00 -3.467761792e+00 2.56 -3.489054611e+00 -3.489054611e+00 2.58 -3.501232723e+00 -3.501232723e+00 2.60 -3.505560756e+00 -3.505560756e+00 2.62 -3.502962709e+00 -3.502962709e+00 2.64 -3.494148965e+00 -3.494148965e+00 2.66 -3.479777216e+00 -3.479777216e+00 2.68 -3.460394212e+00 -3.460394212e+00 2.70 -3.436449910e+00 -3.436449910e+00 2.72 -3.408331375e+00 -3.408331375e+00 2.74 -3.376392003e+00 -3.376392003e+00 2.76 -3.340950495e+00 -3.340950495e+00 2.78 -3.302299731e+00 -3.302299731e+00 2.80 -3.260713185e+00 -3.260713185e+00 2.82 -3.216405744e+00 -3.216405744e+00 2.84 -3.169574769e+00 -3.169574769e+00 2.86 -3.120444921e+00 -3.120444921e+00 2.88 -3.069244642e+00 -3.069244642e+00 2.90 -3.016195006e+00 -3.016195006e+00 2.92 -2.961510169e+00 -2.961510169e+00 2.94 -2.905397531e+00 -2.905397531e+00 2.96 -2.848039751e+00 -2.848039751e+00 2.98 -2.789582829e+00 -2.789582829e+00 3.00 -2.730209251e+00 -2.730209251e+00 3.02 -2.670096504e+00 -2.670096504e+00 3.04 -2.609414435e+00 -2.609414435e+00 3.06 -2.548309798e+00 -2.548309798e+00 3.08 -2.486850832e+00 -2.486850832e+00 3.10 -2.425168134e+00 -2.425168134e+00 3.12 -2.363397339e+00 -2.363397339e+00 3.14 -2.301666143e+00 -2.301666143e+00 3.16 -2.240094343e+00 -2.240094343e+00 3.18 -2.178793915e+00 -2.178793915e+00 3.20 -2.117869125e+00 -2.117869125e+00 3.22 -2.057416669e+00 -2.057416669e+00 3.24 -1.997525851e+00 -1.997525851e+00 3.26 -1.938278774e+00 -1.938278774e+00 3.28 -1.879750562e+00 -1.879750562e+00 3.30 -1.821988595e+00 -1.821988595e+00 3.32 -1.765023286e+00 -1.765023286e+00 3.34 -1.708911477e+00 -1.708911477e+00 3.36 -1.653704458e+00 -1.653704458e+00 3.38 -1.599447873e+00 -1.599447873e+00 3.40 -1.546181994e+00 -1.546181994e+00 3.42 -1.493942005e+00 -1.493942005e+00 3.44 -1.442758272e+00 -1.442758272e+00 3.46 -1.392654458e+00 -1.392654458e+00 3.48 -1.343620294e+00 -1.343620294e+00 3.50 -1.295663283e+00 -1.295663283e+00 3.52 -1.248797955e+00 -1.248797955e+00 3.54 -1.203035434e+00 -1.203035434e+00 3.56 -1.158383677e+00 -1.158383677e+00 3.58 -1.114847698e+00 -1.114847698e+00 3.60 -1.072429794e+00 -1.072429794e+00 3.62 -1.031129752e+00 -1.031129752e+00 3.64 -9.909450497e-01 -9.909450497e-01 3.66 -9.518710513e-01 -9.518710513e-01 3.68 -9.139011887e-01 -9.139011887e-01 3.70 -8.770271352e-01 -8.770271352e-01 3.72 -8.412389700e-01 -8.412389700e-01 3.74 -8.065253338e-01 -8.065253338e-01 3.76 -7.728735753e-01 -7.728735753e-01 3.78 -7.402698884e-01 -7.402698884e-01 3.80 -7.086994419e-01 -7.086994419e-01 3.82 -6.781465004e-01 -6.781465004e-01 3.84 -6.485945377e-01 -6.485945377e-01 3.86 -6.200263419e-01 -6.200263419e-01 3.88 -5.924241141e-01 -5.924241141e-01 3.90 -5.657695596e-01 -5.657695596e-01 3.92 -5.400439724e-01 -5.400439724e-01 3.94 -5.152283138e-01 -5.152283138e-01 3.96 -4.913032842e-01 -4.913032842e-01 3.98 -4.682493902e-01 -4.682493902e-01 4.00 -4.460470056e-01 -4.460470056e-01 4.02 -4.246764274e-01 -4.246764274e-01 4.04 -4.041179270e-01 -4.041179270e-01 4.06 -3.843517973e-01 -3.843517973e-01 4.08 -3.653583948e-01 -3.653583948e-01 4.10 -3.471181785e-01 -3.471181785e-01 4.12 -3.296117443e-01 -3.296117443e-01 4.14 -3.128198566e-01 -3.128198566e-01 4.16 -2.967234764e-01 -2.967234764e-01 4.18 -2.813037860e-01 -2.813037860e-01 4.20 -2.665422112e-01 -2.665422112e-01 4.22 -2.524204414e-01 -2.524204414e-01 4.24 -2.389204462e-01 -2.389204462e-01 4.26 -2.260244903e-01 -2.260244903e-01 4.28 -2.137151466e-01 -2.137151466e-01 4.30 -2.019753069e-01 -2.019753069e-01 4.32 -1.907844847e-01 -1.907844847e-01 4.34 -1.800849672e-01 -1.800849672e-01 4.36 -1.698506384e-01 -1.698506384e-01 4.38 -1.600675684e-01 -1.600675684e-01 4.40 -1.507221399e-01 -1.507221399e-01 4.42 -1.418010488e-01 -1.418010488e-01 4.44 -1.332913046e-01 -1.332913046e-01 4.46 -1.251802300e-01 -1.251802300e-01 4.48 -1.174554600e-01 -1.174554600e-01 4.50 -1.101049397e-01 -1.101049397e-01 4.52 -1.031169228e-01 -1.031169228e-01 4.54 -9.647996834e-02 -9.647996834e-02 4.56 -9.018293600e-02 -9.018293600e-02 4.58 -8.421498430e-02 -8.421498430e-02 4.60 -7.856556613e-02 -7.856556613e-02 4.62 -7.322442491e-02 -7.322442491e-02 4.64 -6.818145486e-02 -6.818145486e-02 4.66 -6.341794188e-02 -6.341794188e-02 4.68 -5.891229240e-02 -5.891229240e-02 4.70 -5.465629576e-02 -5.465629576e-02 4.72 -5.064207517e-02 -5.064207517e-02 4.74 -4.686190998e-02 -4.686190998e-02 4.76 -4.330825123e-02 -4.330825123e-02 4.78 -3.997373323e-02 -3.997373323e-02 4.80 -3.685118188e-02 -3.685118188e-02 4.82 -3.393362013e-02 -3.393362013e-02 4.84 -3.121427116e-02 -3.121427116e-02 4.86 -2.868655950e-02 -2.868655950e-02 4.88 -2.634411061e-02 -2.634411061e-02 4.90 -2.417713679e-02 -2.417713679e-02 4.92 -2.217193826e-02 -2.217193826e-02 4.94 -2.032286660e-02 -2.032286660e-02 4.96 -1.862473233e-02 -1.862473233e-02 4.98 -1.707251340e-02 -1.707251340e-02 5.00 -1.563446079e-02 -1.563446079e-02 5.02 -1.428021499e-02 -1.428021499e-02 5.04 -1.300702326e-02 -1.300702326e-02 5.06 -1.181221252e-02 -1.181221252e-02 5.08 -1.069295580e-02 -1.069295580e-02 5.10 -9.646746554e-03 -9.646746554e-03 5.12 -8.671299319e-03 -8.671299319e-03 5.14 -7.764362940e-03 -7.764362940e-03 5.16 -6.923726999e-03 -6.923726999e-03 5.18 -6.147226910e-03 -6.147226910e-03 5.20 -5.432747888e-03 -5.432747888e-03 5.22 -4.778227946e-03 -4.778227946e-03 5.24 -4.181660059e-03 -4.181660059e-03 5.26 -3.641093629e-03 -3.641093629e-03 5.28 -3.154635340e-03 -3.154635340e-03 5.30 -2.720449520e-03 -2.720449520e-03 5.32 -2.336758068e-03 -2.336758068e-03 5.34 -2.001840038e-03 -2.001840038e-03 5.36 -1.714030792e-03 -1.714030792e-03 5.38 -1.460869823e-03 -1.460869823e-03 5.40 -1.230483148e-03 -1.230483148e-03 5.42 -1.022146494e-03 -1.022146494e-03 5.44 -8.351580408e-04 -8.351580408e-04 5.46 -6.688379723e-04 -6.688379723e-04 5.48 -5.225278894e-04 -5.225278894e-04 5.50 -3.955902166e-04 -3.955902166e-04 5.52 -2.874076124e-04 -2.874076124e-04 5.54 -1.973823810e-04 -1.973823810e-04 5.56 -1.249358909e-04 -1.249358909e-04 5.58 -6.950799952e-05 -6.950799952e-05 5.60 -3.055648667e-05 -3.055648667e-05 5.62 -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