# 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 = CoMo2Ni # 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 2.001179124e+02 2.001179124e+02 1.30 1.841820573e+02 1.841820573e+02 1.32 1.695050383e+02 1.695050383e+02 1.34 1.559743667e+02 1.559743667e+02 1.36 1.434859722e+02 1.434859722e+02 1.38 1.319455398e+02 1.319455398e+02 1.40 1.212693898e+02 1.212693898e+02 1.42 1.113844860e+02 1.113844860e+02 1.44 1.022273672e+02 1.022273672e+02 1.46 9.374243549e+01 9.374243549e+01 1.48 8.588034249e+01 8.588034249e+01 1.50 7.859682090e+01 7.859682090e+01 1.52 7.185187832e+01 7.185187832e+01 1.54 6.560918097e+01 6.560918097e+01 1.56 5.983545133e+01 5.983545133e+01 1.58 5.449979325e+01 5.449979325e+01 1.60 4.957306143e+01 4.957306143e+01 1.62 4.502744089e+01 4.502744089e+01 1.64 4.083623736e+01 4.083623736e+01 1.66 3.697377218e+01 3.697377218e+01 1.68 3.341533053e+01 3.341533053e+01 1.70 3.013715701e+01 3.013715701e+01 1.72 2.711686362e+01 2.711686362e+01 1.74 2.433723443e+01 2.433723443e+01 1.76 2.177861109e+01 2.177861109e+01 1.78 1.942207365e+01 1.942207365e+01 1.80 1.724973907e+01 1.724973907e+01 1.82 1.524547567e+01 1.524547567e+01 1.84 1.339530540e+01 1.339530540e+01 1.86 1.168735081e+01 1.168735081e+01 1.88 1.011156562e+01 1.011156562e+01 1.90 8.659319621e+00 8.659319621e+00 1.92 7.322948583e+00 7.322948583e+00 1.94 6.095375697e+00 6.095375697e+00 1.96 4.969862940e+00 4.969862940e+00 1.98 3.939886848e+00 3.939886848e+00 2.00 2.999091290e+00 2.999091290e+00 2.02 2.141266640e+00 2.141266640e+00 2.04 1.360326895e+00 1.360326895e+00 2.06 6.502855473e-01 6.502855473e-01 2.08 5.251916826e-03 5.251916826e-03 2.10 -5.805295314e-01 -5.805295314e-01 2.12 -1.112591657e+00 -1.112591657e+00 2.14 -1.596125805e+00 -1.596125805e+00 2.16 -2.035863266e+00 -2.035863266e+00 2.18 -2.435990314e+00 -2.435990314e+00 2.20 -2.800119118e+00 -2.800119118e+00 2.22 -3.131318516e+00 -3.131318516e+00 2.24 -3.432190964e+00 -3.432190964e+00 2.26 -3.704972836e+00 -3.704972836e+00 2.28 -3.951636249e+00 -3.951636249e+00 2.30 -4.173977153e+00 -4.173977153e+00 2.32 -4.373680110e+00 -4.373680110e+00 2.34 -4.552353809e+00 -4.552353809e+00 2.36 -4.711536229e+00 -4.711536229e+00 2.38 -4.852676587e+00 -4.852676587e+00 2.40 -4.977108937e+00 -4.977108937e+00 2.42 -5.086032986e+00 -5.086032986e+00 2.44 -5.180282149e+00 -5.180282149e+00 2.46 -5.260822631e+00 -5.260822631e+00 2.48 -5.328789739e+00 -5.328789739e+00 2.50 -5.385168692e+00 -5.385168692e+00 2.52 -5.430824381e+00 -5.430824381e+00 2.54 -5.466524333e+00 -5.466524333e+00 2.56 -5.492956538e+00 -5.492956538e+00 2.58 -5.510735329e+00 -5.510735329e+00 2.60 -5.520150449e+00 -5.520150449e+00 2.62 -5.521165200e+00 -5.521165200e+00 2.64 -5.513800137e+00 -5.513800137e+00 2.66 -5.498117311e+00 -5.498117311e+00 2.68 -5.474167204e+00 -5.474167204e+00 2.70 -5.442050852e+00 -5.442050852e+00 2.72 -5.401922218e+00 -5.401922218e+00 2.74 -5.353987516e+00 -5.353987516e+00 2.76 -5.298500892e+00 -5.298500892e+00 2.78 -5.235757291e+00 -5.235757291e+00 2.80 -5.166063219e+00 -5.166063219e+00 2.82 -5.089641024e+00 -5.089641024e+00 2.84 -5.006703800e+00 -5.006703800e+00 2.86 -4.917539133e+00 -4.917539133e+00 2.88 -4.822520601e+00 -4.822520601e+00 2.90 -4.722112962e+00 -4.722112962e+00 2.92 -4.616874515e+00 -4.616874515e+00 2.94 -4.507453232e+00 -4.507453232e+00 2.96 -4.394574226e+00 -4.394574226e+00 2.98 -4.279017548e+00 -4.279017548e+00 3.00 -4.161587119e+00 -4.161587119e+00 3.02 -4.043073393e+00 -4.043073393e+00 3.04 -3.924213806e+00 -3.924213806e+00 3.06 -3.805655849e+00 -3.805655849e+00 3.08 -3.687927535e+00 -3.687927535e+00 3.10 -3.571418956e+00 -3.571418956e+00 3.12 -3.456376792e+00 -3.456376792e+00 3.14 -3.342911411e+00 -3.342911411e+00 3.16 -3.231014354e+00 -3.231014354e+00 3.18 -3.120582868e+00 -3.120582868e+00 3.20 -3.011448022e+00 -3.011448022e+00 3.22 -2.903403548e+00 -2.903403548e+00 3.24 -2.796233380e+00 -2.796233380e+00 3.26 -2.689736755e+00 -2.689736755e+00 3.28 -2.583750267e+00 -2.583750267e+00 3.30 -2.478166539e+00 -2.478166539e+00 3.32 -2.372949187e+00 -2.372949187e+00 3.34 -2.268143599e+00 -2.268143599e+00 3.36 -2.163882912e+00 -2.163882912e+00 3.38 -2.060388478e+00 -2.060388478e+00 3.40 -1.957964308e+00 -1.957964308e+00 3.42 -1.856985279e+00 -1.856985279e+00 3.44 -1.757879529e+00 -1.757879529e+00 3.46 -1.661106148e+00 -1.661106148e+00 3.48 -1.567129921e+00 -1.567129921e+00 3.50 -1.476395407e+00 -1.476395407e+00 3.52 -1.389302772e+00 -1.389302772e+00 3.54 -1.306187578e+00 -1.306187578e+00 3.56 -1.227306176e+00 -1.227306176e+00 3.58 -1.152827601e+00 -1.152827601e+00 3.60 -1.082831977e+00 -1.082831977e+00 3.62 -1.017314770e+00 -1.017314770e+00 3.64 -9.561956705e-01 -9.561956705e-01 3.66 -8.993306352e-01 -8.993306352e-01 3.68 -8.465256197e-01 -8.465256197e-01 3.70 -7.975506796e-01 -7.975506796e-01 3.72 -7.521534090e-01 -7.521534090e-01 3.74 -7.100709871e-01 -7.100709871e-01 3.76 -6.710403863e-01 -6.710403863e-01 3.78 -6.348065268e-01 -6.348065268e-01 3.80 -6.011283261e-01 -6.011283261e-01 3.82 -5.697827013e-01 -5.697827013e-01 3.84 -5.405666668e-01 -5.405666668e-01 3.86 -5.132977373e-01 -5.132977373e-01 3.88 -4.878129205e-01 -4.878129205e-01 3.90 -4.639666597e-01 -4.639666597e-01 3.92 -4.416281462e-01 -4.416281462e-01 3.94 -4.206784342e-01 -4.206784342e-01 3.96 -4.010077537e-01 -4.010077537e-01 3.98 -3.825133140e-01 -3.825133140e-01 4.00 -3.650977513e-01 -3.650977513e-01 4.02 -3.486682368e-01 -3.486682368e-01 4.04 -3.331361489e-01 -3.331361489e-01 4.06 -3.184171524e-01 -3.184171524e-01 4.08 -3.044315191e-01 -3.044315191e-01 4.10 -2.911045449e-01 -2.911045449e-01 4.12 -2.783669729e-01 -2.783669729e-01 4.14 -2.661553321e-01 -2.661553321e-01 4.16 -2.544120959e-01 -2.544120959e-01 4.18 -2.430863959e-01 -2.430863959e-01 4.20 -2.321337876e-01 -2.321337876e-01 4.22 -2.215162540e-01 -2.215162540e-01 4.24 -2.112021952e-01 -2.112021952e-01 4.26 -2.011662888e-01 -2.011662888e-01 4.28 -1.913892272e-01 -1.913892272e-01 4.30 -1.818573519e-01 -1.818573519e-01 4.32 -1.725622231e-01 -1.725622231e-01 4.34 -1.635001728e-01 -1.635001728e-01 4.36 -1.546718824e-01 -1.546718824e-01 4.38 -1.460818227e-01 -1.460818227e-01 4.40 -1.377382384e-01 -1.377382384e-01 4.42 -1.296527029e-01 -1.296527029e-01 4.44 -1.218393260e-01 -1.218393260e-01 4.46 -1.143139912e-01 -1.143139912e-01 4.48 -1.070933392e-01 -1.070933392e-01 4.50 -1.001935244e-01 -1.001935244e-01 4.52 -9.362884426e-02 -9.362884426e-02 4.54 -8.741039098e-02 -8.741039098e-02 4.56 -8.154489236e-02 -8.154489236e-02 4.58 -7.603388728e-02 -7.603388728e-02 4.60 -7.087333038e-02 -7.087333038e-02 4.62 -6.605365269e-02 -6.605365269e-02 4.64 -6.156023972e-02 -6.156023972e-02 4.66 -5.737423956e-02 -5.737423956e-02 4.68 -5.347358779e-02 -5.347358779e-02 4.70 -4.983413337e-02 -4.983413337e-02 4.72 -4.643076840e-02 -4.643076840e-02 4.74 -4.323848725e-02 -4.323848725e-02 4.76 -4.023332043e-02 -4.023332043e-02 4.78 -3.739312679e-02 -3.739312679e-02 4.80 -3.469823146e-02 -3.469823146e-02 4.82 -3.213190855e-02 -3.213190855e-02 4.84 -2.968069844e-02 -2.968069844e-02 4.86 -2.733457185e-02 -2.733457185e-02 4.88 -2.508692484e-02 -2.508692484e-02 4.90 -2.293439650e-02 -2.293439650e-02 4.92 -2.087651132e-02 -2.087651132e-02 4.94 -1.891515778e-02 -1.891515778e-02 4.96 -1.705391810e-02 -1.705391810e-02 4.98 -1.529705683e-02 -1.529705683e-02 5.00 -1.364937191e-02 -1.364937191e-02 5.02 -1.211526397e-02 -1.211526397e-02 5.04 -1.069794699e-02 -1.069794699e-02 5.06 -9.399009743e-03 -9.399009743e-03 5.08 -8.218171498e-03 -8.218171498e-03 5.10 -7.153233053e-03 -7.153233053e-03 5.12 -6.200199153e-03 -6.200199153e-03 5.14 -5.353531475e-03 -5.353531475e-03 5.16 -4.606483270e-03 -4.606483270e-03 5.18 -3.951467732e-03 -3.951467732e-03 5.20 -3.380419630e-03 -3.380419630e-03 5.22 -2.885120712e-03 -2.885120712e-03 5.24 -2.457471174e-03 -2.457471174e-03 5.26 -2.089699865e-03 -2.089699865e-03 5.28 -1.774513893e-03 -1.774513893e-03 5.30 -1.505193595e-03 -1.505193595e-03 5.32 -1.275641693e-03 -1.275641693e-03 5.34 -1.080396360e-03 -1.080396360e-03 5.36 -9.146176464e-04 -9.146176464e-04 5.38 -7.740555194e-04 -7.740555194e-04 5.40 -6.550064174e-04 -6.550064174e-04 5.42 -5.542636499e-04 -5.542636499e-04 5.44 -4.690656361e-04 -4.690656361e-04 5.46 -3.970447757e-04 -3.970447757e-04 5.48 -3.361787997e-04 -3.361787997e-04 5.50 -2.847457149e-04 -2.847457149e-04 5.52 -2.412829162e-04 -2.412829162e-04 5.54 -2.045506593e-04 -2.045506593e-04 5.56 -1.734998283e-04 -1.734998283e-04 5.58 -1.472437735e-04 -1.472437735e-04 5.60 -1.250338990e-04 -1.250338990e-04 5.62 -1.062386361e-04 -1.062386361e-04 5.64 -9.032542834e-05 -9.032542834e-05 5.66 -7.684536051e-05 -7.684536051e-05 5.68 -6.542008956e-05 -6.542008956e-05 5.70 -5.573076353e-05 -5.573076353e-05 5.72 -4.750864699e-05 -4.750864699e-05 5.74 -4.052720434e-05 -4.052720434e-05 5.76 -3.459542365e-05 -3.459542365e-05 5.78 -2.955219279e-05 -2.955219279e-05 5.80 -2.526156585e-05 -2.526156585e-05 5.82 -2.160878117e-05 -2.160878117e-05 5.84 -1.849691306e-05 -1.849691306e-05 5.86 -1.584405683e-05 -1.584405683e-05 5.88 -1.358096252e-05 -1.358096252e-05 5.90 -1.164904571e-05 -1.164904571e-05 5.92 -9.998714993e-06 -9.998714993e-06 5.94 -8.587965566e-06 -8.587965566e-06 5.96 -7.381196036e-06 -7.381196036e-06 5.98 -6.348212822e-06 -6.348212822e-06 6.00 -5.463391983e-06 -5.463391983e-06