# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Ni-Co-Al # implementation = 2025--Sharifi-H--Ni-Co-Al--LAMMPS--ipr1 # composition = AlCo2Ni # 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 2025-07-01 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 nan nan 0.88 nan nan 0.90 nan nan 0.92 nan nan 0.94 nan nan 0.96 nan nan 0.98 5.558888055e+02 5.558888055e+02 1.00 5.010974540e+02 5.010974540e+02 1.02 4.515368501e+02 4.515368501e+02 1.04 4.068238333e+02 4.068238333e+02 1.06 3.665645958e+02 3.665645958e+02 1.08 3.303694694e+02 3.303694694e+02 1.10 2.978627590e+02 2.978627590e+02 1.12 2.686889581e+02 2.686889581e+02 1.14 2.425163467e+02 2.425163467e+02 1.16 2.190387146e+02 2.190387146e+02 1.18 1.979757786e+02 1.979757786e+02 1.20 1.790727076e+02 1.790727076e+02 1.22 1.620990572e+02 1.620990572e+02 1.24 1.468473465e+02 1.468473465e+02 1.26 1.331314304e+02 1.331314304e+02 1.28 1.207847839e+02 1.207847839e+02 1.30 1.096587841e+02 1.096587841e+02 1.32 9.962103499e+01 9.962103499e+01 1.34 9.055377269e+01 9.055377269e+01 1.36 8.235237326e+01 8.235237326e+01 1.38 7.492397056e+01 7.492397056e+01 1.40 6.818619159e+01 6.818619159e+01 1.42 6.206600673e+01 6.206600673e+01 1.44 5.649868972e+01 5.649868972e+01 1.46 5.142687726e+01 5.142687726e+01 1.48 4.679973256e+01 4.679973256e+01 1.50 4.257220782e+01 4.257220782e+01 1.52 3.870437969e+01 3.870437969e+01 1.54 3.516085607e+01 3.516085607e+01 1.56 3.191024121e+01 3.191024121e+01 1.58 2.892468145e+01 2.892468145e+01 1.60 2.617946040e+01 2.617946040e+01 1.62 2.365263463e+01 2.365263463e+01 1.64 2.132471160e+01 2.132471160e+01 1.66 1.917836497e+01 1.917836497e+01 1.68 1.719818200e+01 1.719818200e+01 1.70 1.537041941e+01 1.537041941e+01 1.72 1.368278400e+01 1.368278400e+01 1.74 1.212426375e+01 1.212426375e+01 1.76 1.068496097e+01 1.068496097e+01 1.78 9.355886581e+00 9.355886581e+00 1.80 8.128790638e+00 8.128790638e+00 1.82 6.996074942e+00 6.996074942e+00 1.84 5.950738114e+00 5.950738114e+00 1.86 4.986326608e+00 4.986326608e+00 1.88 4.096890166e+00 4.096890166e+00 1.90 3.276941426e+00 3.276941426e+00 1.92 2.521419087e+00 2.521419087e+00 1.94 1.825654294e+00 1.825654294e+00 1.96 1.185339983e+00 1.185339983e+00 1.98 5.965020966e-01 5.965020966e-01 2.00 5.546416176e-02 5.546416176e-02 2.02 -4.411869114e-01 -4.411869114e-01 2.04 -8.966140908e-01 -8.966140908e-01 2.06 -1.313696028e+00 -1.313696028e+00 2.08 -1.695087075e+00 -1.695087075e+00 2.10 -2.043266062e+00 -2.043266062e+00 2.12 -2.360547944e+00 -2.360547944e+00 2.14 -2.649094541e+00 -2.649094541e+00 2.16 -2.910942561e+00 -2.910942561e+00 2.18 -3.148028815e+00 -3.148028815e+00 2.20 -3.362157267e+00 -3.362157267e+00 2.22 -3.555004021e+00 -3.555004021e+00 2.24 -3.728127185e+00 -3.728127185e+00 2.26 -3.882975169e+00 -3.882975169e+00 2.28 -4.020894369e+00 -4.020894369e+00 2.30 -4.143136060e+00 -4.143136060e+00 2.32 -4.250853958e+00 -4.250853958e+00 2.34 -4.345109725e+00 -4.345109725e+00 2.36 -4.426891453e+00 -4.426891453e+00 2.38 -4.497119484e+00 -4.497119484e+00 2.40 -4.556650997e+00 -4.556650997e+00 2.42 -4.606284289e+00 -4.606284289e+00 2.44 -4.646762761e+00 -4.646762761e+00 2.46 -4.678778626e+00 -4.678778626e+00 2.48 -4.702976381e+00 -4.702976381e+00 2.50 -4.719956025e+00 -4.719956025e+00 2.52 -4.730276069e+00 -4.730276069e+00 2.54 -4.734456337e+00 -4.734456337e+00 2.56 -4.732980582e+00 -4.732980582e+00 2.58 -4.726301655e+00 -4.726301655e+00 2.60 -4.714862107e+00 -4.714862107e+00 2.62 -4.699081438e+00 -4.699081438e+00 2.64 -4.679346892e+00 -4.679346892e+00 2.66 -4.656015740e+00 -4.656015740e+00 2.68 -4.629417481e+00 -4.629417481e+00 2.70 -4.599855879e+00 -4.599855879e+00 2.72 -4.567610856e+00 -4.567610856e+00 2.74 -4.532940245e+00 -4.532940245e+00 2.76 -4.496081416e+00 -4.496081416e+00 2.78 -4.457252785e+00 -4.457252785e+00 2.80 -4.416655211e+00 -4.416655211e+00 2.82 -4.374473290e+00 -4.374473290e+00 2.84 -4.330876558e+00 -4.330876558e+00 2.86 -4.286020604e+00 -4.286020604e+00 2.88 -4.240048099e+00 -4.240048099e+00 2.90 -4.193089756e+00 -4.193089756e+00 2.92 -4.145265210e+00 -4.145265210e+00 2.94 -4.096683844e+00 -4.096683844e+00 2.96 -4.047445545e+00 -4.047445545e+00 2.98 -3.997641412e+00 -3.997641412e+00 3.00 -3.947354404e+00 -3.947354404e+00 3.02 -3.896654275e+00 -3.896654275e+00 3.04 -3.845538065e+00 -3.845538065e+00 3.06 -3.794038734e+00 -3.794038734e+00 3.08 -3.742505733e+00 -3.742505733e+00 3.10 -3.690806296e+00 -3.690806296e+00 3.12 -3.638981932e+00 -3.638981932e+00 3.14 -3.587073195e+00 -3.587073195e+00 3.16 -3.535116238e+00 -3.535116238e+00 3.18 -3.483143135e+00 -3.483143135e+00 3.20 -3.431182182e+00 -3.431182182e+00 3.22 -3.379258177e+00 -3.379258177e+00 3.24 -3.327392679e+00 -3.327392679e+00 3.26 -3.275604252e+00 -3.275604252e+00 3.28 -3.223908694e+00 -3.223908694e+00 3.30 -3.172319250e+00 -3.172319250e+00 3.32 -3.120846815e+00 -3.120846815e+00 3.34 -3.069500130e+00 -3.069500130e+00 3.36 -3.018285966e+00 -3.018285966e+00 3.38 -2.967209307e+00 -2.967209307e+00 3.40 -2.916273523e+00 -2.916273523e+00 3.42 -2.865480543e+00 -2.865480543e+00 3.44 -2.814831032e+00 -2.814831032e+00 3.46 -2.764324557e+00 -2.764324557e+00 3.48 -2.713959769e+00 -2.713959769e+00 3.50 -2.663734577e+00 -2.663734577e+00 3.52 -2.613646334e+00 -2.613646334e+00 3.54 -2.563692027e+00 -2.563692027e+00 3.56 -2.513868478e+00 -2.513868478e+00 3.58 -2.464172544e+00 -2.464172544e+00 3.60 -2.414601341e+00 -2.414601341e+00 3.62 -2.365152466e+00 -2.365152466e+00 3.64 -2.315824238e+00 -2.315824238e+00 3.66 -2.266615938e+00 -2.266615938e+00 3.68 -2.217528071e+00 -2.217528071e+00 3.70 -2.168562625e+00 -2.168562625e+00 3.72 -2.119723338e+00 -2.119723338e+00 3.74 -2.071015973e+00 -2.071015973e+00 3.76 -2.022448580e+00 -2.022448580e+00 3.78 -1.974031761e+00 -1.974031761e+00 3.80 -1.925778917e+00 -1.925778917e+00 3.82 -1.877706477e+00 -1.877706477e+00 3.84 -1.829834100e+00 -1.829834100e+00 3.86 -1.782184841e+00 -1.782184841e+00 3.88 -1.734785271e+00 -1.734785271e+00 3.90 -1.687665549e+00 -1.687665549e+00 3.92 -1.640859422e+00 -1.640859422e+00 3.94 -1.594404161e+00 -1.594404161e+00 3.96 -1.548340417e+00 -1.548340417e+00 3.98 -1.502711987e+00 -1.502711987e+00 4.00 -1.457565501e+00 -1.457565501e+00 4.02 -1.412950008e+00 -1.412950008e+00 4.04 -1.368916480e+00 -1.368916480e+00 4.06 -1.325517235e+00 -1.325517235e+00 4.08 -1.282805278e+00 -1.282805278e+00 4.10 -1.240833587e+00 -1.240833587e+00 4.12 -1.199654347e+00 -1.199654347e+00 4.14 -1.159318157e+00 -1.159318157e+00 4.16 -1.119873234e+00 -1.119873234e+00 4.18 -1.081364624e+00 -1.081364624e+00 4.20 -1.043833455e+00 -1.043833455e+00 4.22 -1.007316252e+00 -1.007316252e+00 4.24 -9.718443308e-01 -9.718443308e-01 4.26 -9.374099990e-01 -9.374099990e-01 4.28 -9.034924816e-01 -9.034924816e-01 4.30 -8.661775969e-01 -8.661775969e-01 4.32 -8.048621334e-01 -8.048621334e-01 4.34 -7.614972581e-01 -7.614972581e-01 4.36 -7.375879989e-01 -7.375879989e-01 4.38 -7.145099500e-01 -7.145099500e-01 4.40 -6.922311833e-01 -6.922311833e-01 4.42 -6.707184280e-01 -6.707184280e-01 4.44 -6.499375538e-01 -6.499375538e-01 4.46 -6.298540280e-01 -6.298540280e-01 4.48 -6.104333396e-01 -6.104333396e-01 4.50 -5.916413831e-01 -5.916413831e-01 4.52 -5.734447985e-01 -5.734447985e-01 4.54 -5.558112654e-01 -5.558112654e-01 4.56 -5.387097480e-01 -5.387097480e-01 4.58 -5.221106925e-01 -5.221106925e-01 4.60 -5.059861776e-01 -5.059861776e-01 4.62 -4.903100195e-01 -4.903100195e-01 4.64 -4.750578357e-01 -4.750578357e-01 4.66 -4.602070700e-01 -4.602070700e-01 4.68 -4.457369838e-01 -4.457369838e-01 4.70 -4.316286176e-01 -4.316286176e-01 4.72 -4.178647276e-01 -4.178647276e-01 4.74 -4.044297024e-01 -4.044297024e-01 4.76 -3.913094635e-01 -3.913094635e-01 4.78 -3.784913548e-01 -3.784913548e-01 4.80 -3.659640254e-01 -3.659640254e-01 4.82 -3.537173078e-01 -3.537173078e-01 4.84 -3.417420969e-01 -3.417420969e-01 4.86 -3.300302306e-01 -3.300302306e-01 4.88 -3.185743756e-01 -3.185743756e-01 4.90 -3.073679197e-01 -3.073679197e-01 4.92 -2.955942776e-01 -2.955942776e-01 4.94 -2.732980975e-01 -2.732980975e-01 4.96 -2.170303167e-01 -2.170303167e-01 4.98 -1.068716187e-01 -1.068716187e-01 5.00 -2.047649928e-22 -2.097893075e-22 5.02 0.000000000e+00 0.000000000e+00 5.04 0.000000000e+00 0.000000000e+00 5.06 0.000000000e+00 0.000000000e+00 5.08 0.000000000e+00 0.000000000e+00 5.10 0.000000000e+00 0.000000000e+00 5.12 0.000000000e+00 0.000000000e+00 5.14 0.000000000e+00 0.000000000e+00 5.16 0.000000000e+00 0.000000000e+00 5.18 0.000000000e+00 0.000000000e+00 5.20 0.000000000e+00 0.000000000e+00 5.22 0.000000000e+00 0.000000000e+00 5.24 0.000000000e+00 0.000000000e+00 5.26 0.000000000e+00 0.000000000e+00 5.28 0.000000000e+00 0.000000000e+00 5.30 0.000000000e+00 0.000000000e+00 5.32 0.000000000e+00 0.000000000e+00 5.34 0.000000000e+00 0.000000000e+00 5.36 0.000000000e+00 0.000000000e+00 5.38 0.000000000e+00 0.000000000e+00 5.40 0.000000000e+00 0.000000000e+00 5.42 0.000000000e+00 0.000000000e+00 5.44 0.000000000e+00 0.000000000e+00 5.46 0.000000000e+00 0.000000000e+00 5.48 0.000000000e+00 0.000000000e+00 5.50 0.000000000e+00 0.000000000e+00 5.52 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 5.56 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 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