# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1 # composition = CuNi2Ta # 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 2024-04-11 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 nan nan 1.00 nan nan 1.02 nan nan 1.04 nan nan 1.06 nan nan 1.08 nan nan 1.10 nan nan 1.12 nan nan 1.14 nan nan 1.16 nan nan 1.18 nan nan 1.20 nan nan 1.22 nan nan 1.24 nan nan 1.26 nan nan 1.28 1.521675756e+02 1.521675756e+02 1.30 1.397517589e+02 1.397517589e+02 1.32 1.283132139e+02 1.283132139e+02 1.34 1.177671984e+02 1.177671984e+02 1.36 1.080400961e+02 1.080400961e+02 1.38 9.906851069e+01 9.906851069e+01 1.40 9.079663868e+01 9.079663868e+01 1.42 8.317361267e+01 8.317361267e+01 1.44 7.615126134e+01 7.615126134e+01 1.46 6.968235267e+01 6.968235267e+01 1.48 6.371980693e+01 6.371980693e+01 1.50 5.821732036e+01 5.821732036e+01 1.52 5.313115350e+01 5.313115350e+01 1.54 4.842205861e+01 4.842205861e+01 1.56 4.405625165e+01 4.405625165e+01 1.58 4.000519520e+01 4.000519520e+01 1.60 3.624480594e+01 3.624480594e+01 1.62 3.275467998e+01 3.275467998e+01 1.64 2.951739376e+01 2.951739376e+01 1.66 2.651770561e+01 2.651770561e+01 1.68 2.374471190e+01 2.374471190e+01 1.70 2.118803435e+01 2.118803435e+01 1.72 1.883382382e+01 1.883382382e+01 1.74 1.666814408e+01 1.666814408e+01 1.76 1.467711197e+01 1.467711197e+01 1.78 1.284741391e+01 1.284741391e+01 1.80 1.116669892e+01 1.116669892e+01 1.82 9.623848949e+00 9.623848949e+00 1.84 8.208984675e+00 8.208984675e+00 1.86 6.913209041e+00 6.913209041e+00 1.88 5.728221883e+00 5.728221883e+00 1.90 4.645974525e+00 4.645974525e+00 1.92 3.658481873e+00 3.658481873e+00 1.94 2.757820719e+00 2.757820719e+00 1.96 1.936269886e+00 1.936269886e+00 1.98 1.186513711e+00 1.186513711e+00 2.00 5.018346443e-01 5.018346443e-01 2.02 -1.237509347e-01 -1.237509347e-01 2.04 -6.954291805e-01 -6.954291805e-01 2.06 -1.217595353e+00 -1.217595353e+00 2.08 -1.693920930e+00 -1.693920930e+00 2.10 -2.127465491e+00 -2.127465491e+00 2.12 -2.520811685e+00 -2.520811685e+00 2.14 -2.876201302e+00 -2.876201302e+00 2.16 -3.195657191e+00 -3.195657191e+00 2.18 -3.481084764e+00 -3.481084764e+00 2.20 -3.734352672e+00 -3.734352672e+00 2.22 -3.957353815e+00 -3.957353815e+00 2.24 -4.152047945e+00 -4.152047945e+00 2.26 -4.320488431e+00 -4.320488431e+00 2.28 -4.464836975e+00 -4.464836975e+00 2.30 -4.587333911e+00 -4.587333911e+00 2.32 -4.690207071e+00 -4.690207071e+00 2.34 -4.776106076e+00 -4.776106076e+00 2.36 -4.847652733e+00 -4.847652733e+00 2.38 -4.907236672e+00 -4.907236672e+00 2.40 -4.956895138e+00 -4.956895138e+00 2.42 -4.998088375e+00 -4.998088375e+00 2.44 -5.031441555e+00 -5.031441555e+00 2.46 -5.057391797e+00 -5.057391797e+00 2.48 -5.076327761e+00 -5.076327761e+00 2.50 -5.088594200e+00 -5.088594200e+00 2.52 -5.094503421e+00 -5.094503421e+00 2.54 -5.094348058e+00 -5.094348058e+00 2.56 -5.088412327e+00 -5.088412327e+00 2.58 -5.076981204e+00 -5.076981204e+00 2.60 -5.060347926e+00 -5.060347926e+00 2.62 -5.038816527e+00 -5.038816527e+00 2.64 -5.012712459e+00 -5.012712459e+00 2.66 -4.982387600e+00 -4.982387600e+00 2.68 -4.948222441e+00 -4.948222441e+00 2.70 -4.910691417e+00 -4.910691417e+00 2.72 -4.870393879e+00 -4.870393879e+00 2.74 -4.827539794e+00 -4.827539794e+00 2.76 -4.782287479e+00 -4.782287479e+00 2.78 -4.734620962e+00 -4.734620962e+00 2.80 -4.684502738e+00 -4.684502738e+00 2.82 -4.631917924e+00 -4.631917924e+00 2.84 -4.576861213e+00 -4.576861213e+00 2.86 -4.519336635e+00 -4.519336635e+00 2.88 -4.459379810e+00 -4.459379810e+00 2.90 -4.397043848e+00 -4.397043848e+00 2.92 -4.332394901e+00 -4.332394901e+00 2.94 -4.265516379e+00 -4.265516379e+00 2.96 -4.196509923e+00 -4.196509923e+00 2.98 -4.125493429e+00 -4.125493429e+00 3.00 -4.052597098e+00 -4.052597098e+00 3.02 -3.977958682e+00 -3.977958682e+00 3.04 -3.901718940e+00 -3.901718940e+00 3.06 -3.824018065e+00 -3.824018065e+00 3.08 -3.744993503e+00 -3.744993503e+00 3.10 -3.664779322e+00 -3.664779322e+00 3.12 -3.583507049e+00 -3.583507049e+00 3.14 -3.501307744e+00 -3.501307744e+00 3.16 -3.418314997e+00 -3.418314997e+00 3.18 -3.334668440e+00 -3.334668440e+00 3.20 -3.250517309e+00 -3.250517309e+00 3.22 -3.166023491e+00 -3.166023491e+00 3.24 -3.081363463e+00 -3.081363463e+00 3.26 -2.996728516e+00 -2.996728516e+00 3.28 -2.912322758e+00 -2.912322758e+00 3.30 -2.828358655e+00 -2.828358655e+00 3.32 -2.745050189e+00 -2.745050189e+00 3.34 -2.662604130e+00 -2.662604130e+00 3.36 -2.581210321e+00 -2.581210321e+00 3.38 -2.501032070e+00 -2.501032070e+00 3.40 -2.422197841e+00 -2.422197841e+00 3.42 -2.344795227e+00 -2.344795227e+00 3.44 -2.268867856e+00 -2.268867856e+00 3.46 -2.194415473e+00 -2.194415473e+00 3.48 -2.121397020e+00 -2.121397020e+00 3.50 -2.049736216e+00 -2.049736216e+00 3.52 -1.979328983e+00 -1.979328983e+00 3.54 -1.910051999e+00 -1.910051999e+00 3.56 -1.841771713e+00 -1.841771713e+00 3.58 -1.774353290e+00 -1.774353290e+00 3.60 -1.707669100e+00 -1.707669100e+00 3.62 -1.641606502e+00 -1.641606502e+00 3.64 -1.576074800e+00 -1.576074800e+00 3.66 -1.511011313e+00 -1.511011313e+00 3.68 -1.446386524e+00 -1.446386524e+00 3.70 -1.382208207e+00 -1.382208207e+00 3.72 -1.318524393e+00 -1.318524393e+00 3.74 -1.255424890e+00 -1.255424890e+00 3.76 -1.193041015e+00 -1.193041015e+00 3.78 -1.131543141e+00 -1.131543141e+00 3.80 -1.071135734e+00 -1.071135734e+00 3.82 -1.012049688e+00 -1.012049688e+00 3.84 -9.545320804e-01 -9.545320804e-01 3.86 -8.988338034e-01 -8.988338034e-01 3.88 -8.451959549e-01 -8.451959549e-01 3.90 -7.938361654e-01 -7.938361654e-01 3.92 -7.449362223e-01 -7.449362223e-01 3.94 -6.986322665e-01 -6.986322665e-01 3.96 -6.550085229e-01 -6.550085229e-01 3.98 -6.140950247e-01 -6.140950247e-01 4.00 -5.758692259e-01 -5.758692259e-01 4.02 -5.402608993e-01 -5.402608993e-01 4.04 -5.071593888e-01 -5.071593888e-01 4.06 -4.764221655e-01 -4.764221655e-01 4.08 -4.478837128e-01 -4.478837128e-01 4.10 -4.213639681e-01 -4.213639681e-01 4.12 -3.966758115e-01 -3.966758115e-01 4.14 -3.736313435e-01 -3.736313435e-01 4.16 -3.520469112e-01 -3.520469112e-01 4.18 -3.317469813e-01 -3.317469813e-01 4.20 -3.125670505e-01 -3.125670505e-01 4.22 -2.943558132e-01 -2.943558132e-01 4.24 -2.769768018e-01 -2.769768018e-01 4.26 -2.603096794e-01 -2.603096794e-01 4.28 -2.442513102e-01 -2.442513102e-01 4.30 -2.287166707e-01 -2.287166707e-01 4.32 -2.136395933e-01 -2.136395933e-01 4.34 -1.989732675e-01 -1.989732675e-01 4.36 -1.846903674e-01 -1.846903674e-01 4.38 -1.707826389e-01 -1.707826389e-01 4.40 -1.572597763e-01 -1.572597763e-01 4.42 -1.441474529e-01 -1.441474529e-01 4.44 -1.314844536e-01 -1.314844536e-01 4.46 -1.193189686e-01 -1.193189686e-01 4.48 -1.077042440e-01 -1.077042440e-01 4.50 -9.669391112e-02 -9.669391112e-02 4.52 -8.633739893e-02 -8.633739893e-02 4.54 -7.667586052e-02 -7.667586052e-02 4.56 -6.773898691e-02 -6.773898691e-02 4.58 -5.954297155e-02 -5.954297155e-02 4.60 -5.208971989e-02 -5.208971989e-02 4.62 -4.536724529e-02 -4.536724529e-02 4.64 -3.935084930e-02 -3.935084930e-02 4.66 -3.400540065e-02 -3.400540065e-02 4.68 -2.928836754e-02 -2.928836754e-02 4.70 -2.515167044e-02 -2.515167044e-02 4.72 -2.154413311e-02 -2.154413311e-02 4.74 -1.841324168e-02 -1.841324168e-02 4.76 -1.570793103e-02 -1.570793103e-02 4.78 -1.337945541e-02 -1.337945541e-02 4.80 -1.138200064e-02 -1.138200064e-02 4.82 -9.673338726e-03 -9.673338726e-03 4.84 -8.215160510e-03 -8.215160510e-03 4.86 -6.973164124e-03 -6.973164124e-03 4.88 -5.916966599e-03 -5.916966599e-03 4.90 -5.019897043e-03 -5.019897043e-03 4.92 -4.258717472e-03 -4.258717472e-03 4.94 -3.613306357e-03 -3.613306357e-03 4.96 -3.066330264e-03 -3.066330264e-03 4.98 -2.602921098e-03 -2.602921098e-03 5.00 -2.210370188e-03 -2.210370188e-03 5.02 -1.877845860e-03 -1.877845860e-03 5.04 -1.596137755e-03 -1.596137755e-03 5.06 -1.357428820e-03 -1.357428820e-03 5.08 -1.155094369e-03 -1.155094369e-03 5.10 -9.835266603e-04 -9.835266603e-04 5.12 -8.379828844e-04 -8.379828844e-04 5.14 -7.144542511e-04 -7.144542511e-04 5.16 -6.095537895e-04 -6.095537895e-04 5.18 -5.204205712e-04 -5.204205712e-04 5.20 -4.446382141e-04 -4.446382141e-04 5.22 -3.801657154e-04 -3.801657154e-04 5.24 -3.252788719e-04 -3.252788719e-04 5.26 -2.785207456e-04 -2.785207456e-04 5.28 -2.386598320e-04 -2.386598320e-04 5.30 -2.046547669e-04 -2.046547669e-04 5.32 -1.756245704e-04 -1.756245704e-04 5.34 -1.508235715e-04 -1.508235715e-04 5.36 -1.296202842e-04 -1.296202842e-04 5.38 -1.114796131e-04 -1.114796131e-04 5.40 -9.594786601e-05 -9.594786601e-05 5.42 -8.264012778e-05 -8.264012778e-05 5.44 -7.122962209e-05 -7.122962209e-05 5.46 -6.143874535e-05 -6.143874535e-05 5.48 -5.303150727e-05 -5.303150727e-05 5.50 -4.580715476e-05 -4.580715476e-05 5.52 -3.959479142e-05 -3.959479142e-05 5.54 -3.424883490e-05 -3.424883490e-05 5.56 -2.964517955e-05 -2.964517955e-05 5.58 -2.567795298e-05 -2.567795298e-05 5.60 -2.225677296e-05 -2.225677296e-05 5.62 -1.930442613e-05 -1.930442613e-05 5.64 -1.675490233e-05 -1.675490233e-05 5.66 -1.455172895e-05 -1.455172895e-05 5.68 -1.264655866e-05 -1.264655866e-05 5.70 -1.099797112e-05 -1.099797112e-05 5.72 -9.570455572e-06 -9.570455572e-06 5.74 -8.333546366e-06 -8.333546366e-06 5.76 -7.261088017e-06 -7.261088017e-06 5.78 -6.330609877e-06 -6.330609877e-06 5.80 -5.522793731e-06 -5.522793731e-06 5.82 -4.821020204e-06 -4.821020204e-06 5.84 -4.210982017e-06 -4.210982017e-06 5.86 -3.680354039e-06 -3.680354039e-06 5.88 -3.218511581e-06 -3.218511581e-06 5.90 -2.816289721e-06 -2.816289721e-06 5.92 -2.465777537e-06 -2.465777537e-06 5.94 -2.160142072e-06 -2.160142072e-06 5.96 -1.893477626e-06 -1.893477626e-06 5.98 -1.660676643e-06 -1.660676643e-06 6.00 -1.457319034e-06 -1.457319034e-06