# 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 = CuMoPd2 # 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 2.611215314e+02 2.611215314e+02 1.30 2.417435500e+02 2.417435500e+02 1.32 2.237931515e+02 2.237931515e+02 1.34 2.071568294e+02 2.071568294e+02 1.36 1.917312145e+02 1.917312145e+02 1.38 1.774216437e+02 1.774216437e+02 1.40 1.641412707e+02 1.641412707e+02 1.42 1.518101248e+02 1.518101248e+02 1.44 1.403546278e+02 1.403546278e+02 1.46 1.297076841e+02 1.297076841e+02 1.48 1.198085341e+02 1.198085341e+02 1.50 1.106018857e+02 1.106018857e+02 1.52 1.020366993e+02 1.020366993e+02 1.54 9.406524364e+01 9.406524364e+01 1.56 8.664266920e+01 8.664266920e+01 1.58 7.972696955e+01 7.972696955e+01 1.60 7.327915551e+01 7.327915551e+01 1.62 6.726351301e+01 6.726351301e+01 1.64 6.164774315e+01 6.164774315e+01 1.66 5.640280050e+01 5.640280050e+01 1.68 5.150392130e+01 5.150392130e+01 1.70 4.693033671e+01 4.693033671e+01 1.72 4.268838042e+01 4.268838042e+01 1.74 3.876539494e+01 3.876539494e+01 1.76 3.513979478e+01 3.513979478e+01 1.78 3.179189389e+01 3.179189389e+01 1.80 2.870365180e+01 2.870365180e+01 1.82 2.585822651e+01 2.585822651e+01 1.84 2.323949933e+01 2.323949933e+01 1.86 2.083173093e+01 2.083173093e+01 1.88 1.861942648e+01 1.861942648e+01 1.90 1.658742194e+01 1.658742194e+01 1.92 1.472114542e+01 1.472114542e+01 1.94 1.300694210e+01 1.300694210e+01 1.96 1.143232265e+01 1.143232265e+01 1.98 9.986043133e+00 9.986043133e+00 2.00 8.658016208e+00 8.658016208e+00 2.02 7.439121418e+00 7.439121418e+00 2.04 6.320994718e+00 6.320994718e+00 2.06 5.295853069e+00 5.295853069e+00 2.08 4.356380160e+00 4.356380160e+00 2.10 3.495677618e+00 3.495677618e+00 2.12 2.707271102e+00 2.707271102e+00 2.14 1.985149537e+00 1.985149537e+00 2.16 1.323810500e+00 1.323810500e+00 2.18 7.182883412e-01 7.182883412e-01 2.20 1.641526455e-01 1.641526455e-01 2.22 -3.425227622e-01 -3.425227622e-01 2.24 -8.052121633e-01 -8.052121633e-01 2.26 -1.227002289e+00 -1.227002289e+00 2.28 -1.610661874e+00 -1.610661874e+00 2.30 -1.958711327e+00 -1.958711327e+00 2.32 -2.273486583e+00 -2.273486583e+00 2.34 -2.557190454e+00 -2.557190454e+00 2.36 -2.811927241e+00 -2.811927241e+00 2.38 -3.039622843e+00 -3.039622843e+00 2.40 -3.242212836e+00 -3.242212836e+00 2.42 -3.421743724e+00 -3.421743724e+00 2.44 -3.580169606e+00 -3.580169606e+00 2.46 -3.719358946e+00 -3.719358946e+00 2.48 -3.841091638e+00 -3.841091638e+00 2.50 -3.947042107e+00 -3.947042107e+00 2.52 -4.038747936e+00 -4.038747936e+00 2.54 -4.117463180e+00 -4.117463180e+00 2.56 -4.184131963e+00 -4.184131963e+00 2.58 -4.239570270e+00 -4.239570270e+00 2.60 -4.284485347e+00 -4.284485347e+00 2.62 -4.319495040e+00 -4.319495040e+00 2.64 -4.345153912e+00 -4.345153912e+00 2.66 -4.362028484e+00 -4.362028484e+00 2.68 -4.371312165e+00 -4.371312165e+00 2.70 -4.373520687e+00 -4.373520687e+00 2.72 -4.368561268e+00 -4.368561268e+00 2.74 -4.356414757e+00 -4.356414757e+00 2.76 -4.337132730e+00 -4.337132730e+00 2.78 -4.310820093e+00 -4.310820093e+00 2.80 -4.277624271e+00 -4.277624271e+00 2.82 -4.237737754e+00 -4.237737754e+00 2.84 -4.191458600e+00 -4.191458600e+00 2.86 -4.139219031e+00 -4.139219031e+00 2.88 -4.081502847e+00 -4.081502847e+00 2.90 -4.018835967e+00 -4.018835967e+00 2.92 -3.951787371e+00 -3.951787371e+00 2.94 -3.880960175e+00 -3.880960175e+00 2.96 -3.806973732e+00 -3.806973732e+00 2.98 -3.730439959e+00 -3.730439959e+00 3.00 -3.651938445e+00 -3.651938445e+00 3.02 -3.571994674e+00 -3.571994674e+00 3.04 -3.491064300e+00 -3.491064300e+00 3.06 -3.409524602e+00 -3.409524602e+00 3.08 -3.327672675e+00 -3.327672675e+00 3.10 -3.245729093e+00 -3.245729093e+00 3.12 -3.163845509e+00 -3.163845509e+00 3.14 -3.082114786e+00 -3.082114786e+00 3.16 -3.000582512e+00 -3.000582512e+00 3.18 -2.919259086e+00 -2.919259086e+00 3.20 -2.838131775e+00 -2.838131775e+00 3.22 -2.757176381e+00 -2.757176381e+00 3.24 -2.676368278e+00 -2.676368278e+00 3.26 -2.595692631e+00 -2.595692631e+00 3.28 -2.515153565e+00 -2.515153565e+00 3.30 -2.434782008e+00 -2.434782008e+00 3.32 -2.354641789e+00 -2.354641789e+00 3.34 -2.274833554e+00 -2.274833554e+00 3.36 -2.195496051e+00 -2.195496051e+00 3.38 -2.116804458e+00 -2.116804458e+00 3.40 -2.038965636e+00 -2.038965636e+00 3.42 -1.962210494e+00 -1.962210494e+00 3.44 -1.886783983e+00 -1.886783983e+00 3.46 -1.812933512e+00 -1.812933512e+00 3.48 -1.740896849e+00 -1.740896849e+00 3.50 -1.670890591e+00 -1.670890591e+00 3.52 -1.603100265e+00 -1.603100265e+00 3.54 -1.537672860e+00 -1.537672860e+00 3.56 -1.474712294e+00 -1.474712294e+00 3.58 -1.414277939e+00 -1.414277939e+00 3.60 -1.356386003e+00 -1.356386003e+00 3.62 -1.301013309e+00 -1.301013309e+00 3.64 -1.248102855e+00 -1.248102855e+00 3.66 -1.197570485e+00 -1.197570485e+00 3.68 -1.149312064e+00 -1.149312064e+00 3.70 -1.103210585e+00 -1.103210585e+00 3.72 -1.059142791e+00 -1.059142791e+00 3.74 -1.016984980e+00 -1.016984980e+00 3.76 -9.766177207e-01 -9.766177207e-01 3.78 -9.379293423e-01 -9.379293423e-01 3.80 -9.008180783e-01 -9.008180783e-01 3.82 -8.651928845e-01 -8.651928845e-01 3.84 -8.309730396e-01 -8.309730396e-01 3.86 -7.980867732e-01 -7.980867732e-01 3.88 -7.664692805e-01 -7.664692805e-01 3.90 -7.360605498e-01 -7.360605498e-01 3.92 -7.068034302e-01 -7.068034302e-01 3.94 -6.786422807e-01 -6.786422807e-01 3.96 -6.515223927e-01 -6.515223927e-01 3.98 -6.253902059e-01 -6.253902059e-01 4.00 -6.001941659e-01 -6.001941659e-01 4.02 -5.758859634e-01 -5.758859634e-01 4.04 -5.524218312e-01 -5.524218312e-01 4.06 -5.297635915e-01 -5.297635915e-01 4.08 -5.078792010e-01 -5.078792010e-01 4.10 -4.867426419e-01 -4.867426419e-01 4.12 -4.663331315e-01 -4.663331315e-01 4.14 -4.466337318e-01 -4.466337318e-01 4.16 -4.276295749e-01 -4.276295749e-01 4.18 -4.093059654e-01 -4.093059654e-01 4.20 -3.916466593e-01 -3.916466593e-01 4.22 -3.746325751e-01 -3.746325751e-01 4.24 -3.582411123e-01 -3.582411123e-01 4.26 -3.424461361e-01 -3.424461361e-01 4.28 -3.272185745e-01 -3.272185745e-01 4.30 -3.125274803e-01 -3.125274803e-01 4.32 -2.983413501e-01 -2.983413501e-01 4.34 -2.846294790e-01 -2.846294790e-01 4.36 -2.713631482e-01 -2.713631482e-01 4.38 -2.585164866e-01 -2.585164866e-01 4.40 -2.460669165e-01 -2.460669165e-01 4.42 -2.339951590e-01 -2.339951590e-01 4.44 -2.222848479e-01 -2.222848479e-01 4.46 -2.109218608e-01 -2.109218608e-01 4.48 -1.998935078e-01 -1.998935078e-01 4.50 -1.891877489e-01 -1.891877489e-01 4.52 -1.787926084e-01 -1.787926084e-01 4.54 -1.686958835e-01 -1.686958835e-01 4.56 -1.588852328e-01 -1.588852328e-01 4.58 -1.493486028e-01 -1.493486028e-01 4.60 -1.400749789e-01 -1.400749789e-01 4.62 -1.310553349e-01 -1.310553349e-01 4.64 -1.222834440e-01 -1.222834440e-01 4.66 -1.137572640e-01 -1.137572640e-01 4.68 -1.054794502e-01 -1.054794502e-01 4.70 -9.745750086e-02 -9.745750086e-02 4.72 -8.970366499e-02 -8.970366499e-02 4.74 -8.223437274e-02 -8.223437274e-02 4.76 -7.506921527e-02 -7.506921527e-02 4.78 -6.822956028e-02 -6.822956028e-02 4.80 -6.173693548e-02 -6.173693548e-02 4.82 -5.561134488e-02 -5.561134488e-02 4.84 -4.986968508e-02 -4.986968508e-02 4.86 -4.452442291e-02 -4.452442291e-02 4.88 -3.958264691e-02 -3.958264691e-02 4.90 -3.504556472e-02 -3.504556472e-02 4.92 -3.090843748e-02 -3.090843748e-02 4.94 -2.716092326e-02 -2.716092326e-02 4.96 -2.378773212e-02 -2.378773212e-02 4.98 -2.076951555e-02 -2.076951555e-02 5.00 -1.808386417e-02 -1.808386417e-02 5.02 -1.570631628e-02 -1.570631628e-02 5.04 -1.361103151e-02 -1.361103151e-02 5.06 -1.177208241e-02 -1.177208241e-02 5.08 -1.016438076e-02 -1.016438076e-02 5.10 -8.763652898e-03 -8.763652898e-03 5.12 -7.546893590e-03 -7.546893590e-03 5.14 -6.492668667e-03 -6.492668667e-03 5.16 -5.581288620e-03 -5.581288620e-03 5.18 -4.794879696e-03 -4.794879696e-03 5.20 -4.117377449e-03 -4.117377449e-03 5.22 -3.534464651e-03 -3.534464651e-03 5.24 -3.033471838e-03 -3.033471838e-03 5.26 -2.603255101e-03 -2.603255101e-03 5.28 -2.234062330e-03 -2.234062330e-03 5.30 -1.917396166e-03 -1.917396166e-03 5.32 -1.645879494e-03 -1.645879494e-03 5.34 -1.413127367e-03 -1.413127367e-03 5.36 -1.213627735e-03 -1.213627735e-03 5.38 -1.042632282e-03 -1.042632282e-03 5.40 -8.960578316e-04 -8.960578316e-04 5.42 -7.703982544e-04 -7.703982544e-04 5.44 -6.626464481e-04 -6.626464481e-04 5.46 -5.702257119e-04 -5.702257119e-04 5.48 -4.909297443e-04 -4.909297443e-04 5.50 -4.228704275e-04 -4.228704275e-04 5.52 -3.644325692e-04 -3.644325692e-04 5.54 -3.142348038e-04 -3.142348038e-04 5.56 -2.710959039e-04 -2.710959039e-04 5.58 -2.340058207e-04 -2.340058207e-04 5.60 -2.021008331e-04 -2.021008331e-04 5.62 -1.746422555e-04 -1.746422555e-04 5.64 -1.509982158e-04 -1.509982158e-04 5.66 -1.306280758e-04 -1.306280758e-04 5.68 -1.130691208e-04 -1.130691208e-04 5.70 -9.792519391e-05 -9.792519391e-05 5.72 -8.485699515e-05 -8.485699515e-05 5.74 -7.357380333e-05 -7.357380333e-05 5.76 -6.382641317e-05 -6.382641317e-05 5.78 -5.540110966e-05 -5.540110966e-05 5.80 -4.811452697e-05 -4.811452697e-05 5.82 -4.180926175e-05 -4.180926175e-05 5.84 -3.635012921e-05 -3.635012921e-05 5.86 -3.162096725e-05 -3.162096725e-05 5.88 -2.752190752e-05 -2.752190752e-05 5.90 -2.396704448e-05 -2.396704448e-05 5.92 -2.088244368e-05 -2.088244368e-05 5.94 -1.820443921e-05 -1.820443921e-05 5.96 -1.587817780e-05 -1.587817780e-05 5.98 -1.385637321e-05 -1.385637321e-05 6.00 -1.209824007e-05 -1.209824007e-05