# 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 = AgAuPt2 # 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 7.823320534e+06 7.823320534e+06 0.88 7.162184691e+06 7.162184691e+06 0.90 6.559587926e+06 6.559587926e+06 0.92 6.009316116e+06 6.009316116e+06 0.94 5.505878381e+06 5.505878381e+06 0.96 5.044501296e+06 5.044501296e+06 0.98 4.620937352e+06 4.620937352e+06 1.00 4.231473671e+06 4.231473671e+06 1.02 3.872825991e+06 3.872825991e+06 1.04 3.542103680e+06 3.542103680e+06 1.06 3.236698314e+06 3.236698314e+06 1.08 2.954313643e+06 2.954313643e+06 1.10 2.692855283e+06 2.692855283e+06 1.12 2.450478203e+06 2.450478203e+06 1.14 2.225538172e+06 2.225538172e+06 1.16 2.016535428e+06 2.016535428e+06 1.18 1.822132009e+06 1.822132009e+06 1.20 1.641133198e+06 1.641133198e+06 1.22 1.472446035e+06 1.472446035e+06 1.24 1.315087587e+06 1.315087587e+06 1.26 1.168167484e+06 1.168167484e+06 1.28 1.030877390e+06 1.030877390e+06 1.30 9.024696688e+05 9.024696688e+05 1.32 7.822711647e+05 7.822711647e+05 1.34 6.696538325e+05 6.696538325e+05 1.36 5.640689936e+05 5.640689936e+05 1.38 4.683826600e+05 4.683826600e+05 1.40 3.844665633e+05 3.844665633e+05 1.42 3.105208274e+05 3.105208274e+05 1.44 2.479891637e+05 2.479891637e+05 1.46 1.980803551e+05 1.980803551e+05 1.48 1.583719754e+05 1.583719754e+05 1.50 1.267370771e+05 1.267370771e+05 1.52 1.015037550e+05 1.015037550e+05 1.54 8.135586280e+04 8.135586280e+04 1.56 6.525209433e+04 6.525209433e+04 1.58 5.236742865e+04 5.236742865e+04 1.60 4.204883023e+04 4.204883023e+04 1.62 3.377794378e+04 3.377794378e+04 1.64 2.714376101e+04 2.714376101e+04 1.66 2.181831399e+04 2.181831399e+04 1.68 1.754069497e+04 1.754069497e+04 1.70 1.410327726e+04 1.410327726e+04 1.72 1.134011327e+04 1.134011327e+04 1.74 9.118267619e+03 9.118267619e+03 1.76 7.331158378e+03 7.331158378e+03 1.78 5.893503006e+03 5.893503006e+03 1.80 4.736862995e+03 4.736862995e+03 1.82 3.806201976e+03 3.806201976e+03 1.84 3.057285717e+03 3.057285717e+03 1.86 2.454691757e+03 2.454691757e+03 1.88 1.969915844e+03 1.969915844e+03 1.90 1.579980613e+03 1.579980613e+03 1.92 1.266405460e+03 1.266405460e+03 1.94 1.014316909e+03 1.014316909e+03 1.96 8.117437391e+02 8.117437391e+02 1.98 6.490398255e+02 6.490398255e+02 2.00 5.184257370e+02 5.184257370e+02 2.02 4.136072257e+02 4.136072257e+02 2.04 3.295407243e+02 3.295407243e+02 2.06 2.621677189e+02 2.621677189e+02 2.08 2.082155195e+02 2.082155195e+02 2.10 1.650458879e+02 1.650458879e+02 2.12 1.305312761e+02 1.305312761e+02 2.14 1.029601769e+02 1.029601769e+02 2.16 8.095468660e+01 8.095468660e+01 2.18 6.340339752e+01 6.340339752e+01 2.20 4.941477829e+01 4.941477829e+01 2.22 3.827342559e+01 3.827342559e+01 2.24 2.940837747e+01 2.940837747e+01 2.26 2.236056508e+01 2.236056508e+01 2.28 1.676194246e+01 1.676194246e+01 2.30 1.231787286e+01 1.231787286e+01 2.32 8.792419712e+00 8.792419712e+00 2.34 5.996928671e+00 5.996928671e+00 2.36 3.780778167e+00 3.780778167e+00 2.38 2.023928449e+00 2.023928449e+00 2.40 6.308927774e-01 6.308927774e-01 2.42 -4.741648008e-01 -4.741648008e-01 2.44 -1.351357231e+00 -1.351357231e+00 2.46 -2.048274811e+00 -2.048274811e+00 2.48 -2.602462144e+00 -2.602462144e+00 2.50 -3.043452912e+00 -3.043452912e+00 2.52 -3.394478459e+00 -3.394478459e+00 2.54 -3.673777587e+00 -3.673777587e+00 2.56 -3.895644378e+00 -3.895644378e+00 2.58 -4.071265064e+00 -4.071265064e+00 2.60 -4.209384937e+00 -4.209384937e+00 2.62 -4.316838540e+00 -4.316838540e+00 2.64 -4.398970034e+00 -4.398970034e+00 2.66 -4.459965496e+00 -4.459965496e+00 2.68 -4.503114752e+00 -4.503114752e+00 2.70 -4.531016912e+00 -4.531016912e+00 2.72 -4.545734909e+00 -4.545734909e+00 2.74 -4.548916925e+00 -4.548916925e+00 2.76 -4.541916507e+00 -4.541916507e+00 2.78 -4.525854241e+00 -4.525854241e+00 2.80 -4.501674131e+00 -4.501674131e+00 2.82 -4.470186434e+00 -4.470186434e+00 2.84 -4.432067053e+00 -4.432067053e+00 2.86 -4.387892975e+00 -4.387892975e+00 2.88 -4.338231650e+00 -4.338231650e+00 2.90 -4.283607443e+00 -4.283607443e+00 2.92 -4.224508785e+00 -4.224508785e+00 2.94 -4.161394705e+00 -4.161394705e+00 2.96 -4.094641872e+00 -4.094641872e+00 2.98 -4.024563331e+00 -4.024563331e+00 3.00 -3.951539139e+00 -3.951539139e+00 3.02 -3.875934504e+00 -3.875934504e+00 3.04 -3.798097717e+00 -3.798097717e+00 3.06 -3.718360588e+00 -3.718360588e+00 3.08 -3.637038660e+00 -3.637038660e+00 3.10 -3.554431293e+00 -3.554431293e+00 3.12 -3.470821698e+00 -3.470821698e+00 3.14 -3.386476959e+00 -3.386476959e+00 3.16 -3.301648087e+00 -3.301648087e+00 3.18 -3.216570130e+00 -3.216570130e+00 3.20 -3.131462336e+00 -3.131462336e+00 3.22 -3.046528388e+00 -3.046528388e+00 3.24 -2.961956707e+00 -2.961956707e+00 3.26 -2.877920819e+00 -2.877920819e+00 3.28 -2.794579773e+00 -2.794579773e+00 3.30 -2.712078621e+00 -2.712078621e+00 3.32 -2.630544421e+00 -2.630544421e+00 3.34 -2.550043286e+00 -2.550043286e+00 3.36 -2.470667034e+00 -2.470667034e+00 3.38 -2.392511128e+00 -2.392511128e+00 3.40 -2.315660103e+00 -2.315660103e+00 3.42 -2.240188158e+00 -2.240188158e+00 3.44 -2.166159756e+00 -2.166159756e+00 3.46 -2.093620165e+00 -2.093620165e+00 3.48 -2.022555667e+00 -2.022555667e+00 3.50 -1.952992679e+00 -1.952992679e+00 3.52 -1.884963378e+00 -1.884963378e+00 3.54 -1.818493299e+00 -1.818493299e+00 3.56 -1.753601842e+00 -1.753601842e+00 3.58 -1.690302747e+00 -1.690302747e+00 3.60 -1.628604553e+00 -1.628604553e+00 3.62 -1.568511041e+00 -1.568511041e+00 3.64 -1.510021645e+00 -1.510021645e+00 3.66 -1.453131849e+00 -1.453131849e+00 3.68 -1.397833561e+00 -1.397833561e+00 3.70 -1.344115459e+00 -1.344115459e+00 3.72 -1.291963325e+00 -1.291963325e+00 3.74 -1.241360355e+00 -1.241360355e+00 3.76 -1.192287439e+00 -1.192287439e+00 3.78 -1.144723442e+00 -1.144723442e+00 3.80 -1.098645445e+00 -1.098645445e+00 3.82 -1.054028980e+00 -1.054028980e+00 3.84 -1.010848245e+00 -1.010848245e+00 3.86 -9.690763055e-01 -9.690763055e-01 3.88 -9.286852711e-01 -9.286852711e-01 3.90 -8.896464685e-01 -8.896464685e-01 3.92 -8.519305937e-01 -8.519305937e-01 3.94 -8.155078531e-01 -8.155078531e-01 3.96 -7.803480924e-01 -7.803480924e-01 3.98 -7.464209136e-01 -7.464209136e-01 4.00 -7.136957808e-01 -7.136957808e-01 4.02 -6.821421163e-01 -6.821421163e-01 4.04 -6.517293874e-01 -6.517293874e-01 4.06 -6.224271840e-01 -6.224271840e-01 4.08 -5.942052883e-01 -5.942052883e-01 4.10 -5.670337365e-01 -5.670337365e-01 4.12 -5.408828743e-01 -5.408828743e-01 4.14 -5.157234050e-01 -5.157234050e-01 4.16 -4.915264327e-01 -4.915264327e-01 4.18 -4.682634985e-01 -4.682634985e-01 4.20 -4.459066136e-01 -4.459066136e-01 4.22 -4.244282859e-01 -4.244282859e-01 4.24 -4.038015435e-01 -4.038015435e-01 4.26 -3.839999542e-01 -3.839999542e-01 4.28 -3.649976410e-01 -3.649976410e-01 4.30 -3.467692950e-01 -3.467692950e-01 4.32 -3.292901847e-01 -3.292901847e-01 4.34 -3.125361632e-01 -3.125361632e-01 4.36 -2.964836732e-01 -2.964836732e-01 4.38 -2.811097489e-01 -2.811097489e-01 4.40 -2.663920170e-01 -2.663920170e-01 4.42 -2.523086953e-01 -2.523086953e-01 4.44 -2.388385902e-01 -2.388385902e-01 4.46 -2.259610925e-01 -2.259610925e-01 4.48 -2.136561721e-01 -2.136561721e-01 4.50 -2.019043717e-01 -2.019043717e-01 4.52 -1.906867996e-01 -1.906867996e-01 4.54 -1.799851212e-01 -1.799851212e-01 4.56 -1.697815506e-01 -1.697815506e-01 4.58 -1.600588410e-01 -1.600588410e-01 4.60 -1.508002747e-01 -1.508002747e-01 4.62 -1.419896528e-01 -1.419896528e-01 4.64 -1.336112845e-01 -1.336112845e-01 4.66 -1.256499759e-01 -1.256499759e-01 4.68 -1.180910190e-01 -1.180910190e-01 4.70 -1.109120746e-01 -1.109120746e-01 4.72 -1.040795798e-01 -1.040795798e-01 4.74 -9.758054452e-02 -9.758054452e-02 4.76 -9.140337502e-02 -9.140337502e-02 4.78 -8.553685106e-02 -8.553685106e-02 4.80 -7.997011639e-02 -7.997011639e-02 4.82 -7.469266910e-02 -7.469266910e-02 4.84 -6.969435216e-02 -6.969435216e-02 4.86 -6.496534387e-02 -6.496534387e-02 4.88 -6.049565760e-02 -6.049565760e-02 4.90 -5.626199681e-02 -5.626199681e-02 4.92 -5.224105166e-02 -5.224105166e-02 4.94 -4.842505602e-02 -4.842505602e-02 4.96 -4.480686957e-02 -4.480686957e-02 4.98 -4.137957145e-02 -4.137957145e-02 5.00 -3.813645871e-02 -3.813645871e-02 5.02 -3.507104135e-02 -3.507104135e-02 5.04 -3.217704054e-02 -3.217704054e-02 5.06 -2.944838483e-02 -2.944838483e-02 5.08 -2.687920577e-02 -2.687920577e-02 5.10 -2.446383318e-02 -2.446383318e-02 5.12 -2.219679021e-02 -2.219679021e-02 5.14 -2.007277926e-02 -2.007277926e-02 5.16 -1.808634294e-02 -1.808634294e-02 5.18 -1.623254879e-02 -1.623254879e-02 5.20 -1.450683607e-02 -1.450683607e-02 5.22 -1.290475837e-02 -1.290475837e-02 5.24 -1.142198816e-02 -1.142198816e-02 5.26 -1.005432016e-02 -1.005432016e-02 5.28 -8.797673305e-03 -8.797673305e-03 5.30 -7.648091741e-03 -7.648091741e-03 5.32 -6.601744980e-03 -6.601744980e-03 5.34 -5.654927267e-03 -5.654927267e-03 5.36 -4.804056363e-03 -4.804056363e-03 5.38 -4.045671814e-03 -4.045671814e-03 5.40 -3.376432818e-03 -3.376432818e-03 5.42 -2.790398584e-03 -2.790398584e-03 5.44 -2.268511467e-03 -2.268511467e-03 5.46 -1.805941030e-03 -1.805941030e-03 5.48 -1.400682385e-03 -1.400682385e-03 5.50 -1.050797355e-03 -1.050797355e-03 5.52 -7.544129190e-04 -7.544129190e-04 5.54 -5.097195464e-04 -5.097195464e-04 5.56 -3.149694508e-04 -3.149694508e-04 5.58 -1.684747799e-04 -1.684747799e-04 5.60 -6.860576816e-05 -6.860576816e-05 5.62 -1.378886861e-05 -1.378886861e-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