# 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 = FeNiPd2 # 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 2.313734056e+02 2.313734056e+02 1.30 2.131075408e+02 2.131075408e+02 1.32 1.962455432e+02 1.962455432e+02 1.34 1.806768454e+02 1.806768454e+02 1.36 1.662999577e+02 1.662999577e+02 1.38 1.530195905e+02 1.530195905e+02 1.40 1.407459783e+02 1.407459783e+02 1.42 1.293956829e+02 1.293956829e+02 1.44 1.188928410e+02 1.188928410e+02 1.46 1.091699087e+02 1.091699087e+02 1.48 1.001671820e+02 1.001671820e+02 1.50 9.183120116e+01 9.183120116e+01 1.52 8.411278797e+01 8.411278797e+01 1.54 7.696545591e+01 7.696545591e+01 1.56 7.034459536e+01 7.034459536e+01 1.58 6.420745305e+01 6.420745305e+01 1.60 5.851369791e+01 5.851369791e+01 1.62 5.322628594e+01 5.322628594e+01 1.64 4.831229575e+01 4.831229575e+01 1.66 4.376805937e+01 4.376805937e+01 1.68 3.958508316e+01 3.958508316e+01 1.70 3.573743532e+01 3.573743532e+01 1.72 3.220131193e+01 3.220131193e+01 1.74 2.895422959e+01 2.895422959e+01 1.76 2.597469669e+01 2.597469669e+01 1.78 2.324227530e+01 2.324227530e+01 1.80 2.073777042e+01 2.073777042e+01 1.82 1.844332726e+01 1.844332726e+01 1.84 1.634237861e+01 1.634237861e+01 1.86 1.441949496e+01 1.441949496e+01 1.88 1.266022063e+01 1.266022063e+01 1.90 1.105097653e+01 1.105097653e+01 1.92 9.579071590e+00 9.579071590e+00 1.94 8.232789342e+00 8.232789342e+00 1.96 7.001462094e+00 7.001462094e+00 1.98 5.875464634e+00 5.875464634e+00 2.00 4.846125227e+00 4.846125227e+00 2.02 3.905599583e+00 3.905599583e+00 2.04 3.046754843e+00 3.046754843e+00 2.06 2.263084782e+00 2.263084782e+00 2.08 1.548652990e+00 1.548652990e+00 2.10 8.980507888e-01 8.980507888e-01 2.12 3.063580132e-01 3.063580132e-01 2.14 -2.308998535e-01 -2.308998535e-01 2.16 -7.177996056e-01 -7.177996056e-01 2.18 -1.158070736e+00 -1.158070736e+00 2.20 -1.555143404e+00 -1.555143404e+00 2.22 -1.912188873e+00 -1.912188873e+00 2.24 -2.232149744e+00 -2.232149744e+00 2.26 -2.517761463e+00 -2.517761463e+00 2.28 -2.771570715e+00 -2.771570715e+00 2.30 -2.995957243e+00 -2.995957243e+00 2.32 -3.193161442e+00 -3.193161442e+00 2.34 -3.365312958e+00 -3.365312958e+00 2.36 -3.514451181e+00 -3.514451181e+00 2.38 -3.642531334e+00 -3.642531334e+00 2.40 -3.751418002e+00 -3.751418002e+00 2.42 -3.842874808e+00 -3.842874808e+00 2.44 -3.918558501e+00 -3.918558501e+00 2.46 -3.980017929e+00 -3.980017929e+00 2.48 -4.028701120e+00 -4.028701120e+00 2.50 -4.065953228e+00 -4.065953228e+00 2.52 -4.093266227e+00 -4.093266227e+00 2.54 -4.112336614e+00 -4.112336614e+00 2.56 -4.123720399e+00 -4.123720399e+00 2.58 -4.127772443e+00 -4.127772443e+00 2.60 -4.124691882e+00 -4.124691882e+00 2.62 -4.114673030e+00 -4.114673030e+00 2.64 -4.097927294e+00 -4.097927294e+00 2.66 -4.074687960e+00 -4.074687960e+00 2.68 -4.045262394e+00 -4.045262394e+00 2.70 -4.010061815e+00 -4.010061815e+00 2.72 -3.969508368e+00 -3.969508368e+00 2.74 -3.924020215e+00 -3.924020215e+00 2.76 -3.873940566e+00 -3.873940566e+00 2.78 -3.819589952e+00 -3.819589952e+00 2.80 -3.761314523e+00 -3.761314523e+00 2.82 -3.699480357e+00 -3.699480357e+00 2.84 -3.634470395e+00 -3.634470395e+00 2.86 -3.566683948e+00 -3.566683948e+00 2.88 -3.496536366e+00 -3.496536366e+00 2.90 -3.424455724e+00 -3.424455724e+00 2.92 -3.350874194e+00 -3.350874194e+00 2.94 -3.276213742e+00 -3.276213742e+00 2.96 -3.200868240e+00 -3.200868240e+00 2.98 -3.125185886e+00 -3.125185886e+00 3.00 -3.049456155e+00 -3.049456155e+00 3.02 -2.973904214e+00 -2.973904214e+00 3.04 -2.898693464e+00 -2.898693464e+00 3.06 -2.823934754e+00 -2.823934754e+00 3.08 -2.749699524e+00 -2.749699524e+00 3.10 -2.676034106e+00 -2.676034106e+00 3.12 -2.602972987e+00 -2.602972987e+00 3.14 -2.530549831e+00 -2.530549831e+00 3.16 -2.458805759e+00 -2.458805759e+00 3.18 -2.387794913e+00 -2.387794913e+00 3.20 -2.317587479e+00 -2.317587479e+00 3.22 -2.248270401e+00 -2.248270401e+00 3.24 -2.179945997e+00 -2.179945997e+00 3.26 -2.112728708e+00 -2.112728708e+00 3.28 -2.046740285e+00 -2.046740285e+00 3.30 -1.982103862e+00 -1.982103862e+00 3.32 -1.918937490e+00 -1.918937490e+00 3.34 -1.857347792e+00 -1.857347792e+00 3.36 -1.797424408e+00 -1.797424408e+00 3.38 -1.739235766e+00 -1.739235766e+00 3.40 -1.682826537e+00 -1.682826537e+00 3.42 -1.628216878e+00 -1.628216878e+00 3.44 -1.575403335e+00 -1.575403335e+00 3.46 -1.524361095e+00 -1.524361095e+00 3.48 -1.475047180e+00 -1.475047180e+00 3.50 -1.427404141e+00 -1.427404141e+00 3.52 -1.381363875e+00 -1.381363875e+00 3.54 -1.336851235e+00 -1.336851235e+00 3.56 -1.293787234e+00 -1.293787234e+00 3.58 -1.252091702e+00 -1.252091702e+00 3.60 -1.211685384e+00 -1.211685384e+00 3.62 -1.172491480e+00 -1.172491480e+00 3.64 -1.134436730e+00 -1.134436730e+00 3.66 -1.097452147e+00 -1.097452147e+00 3.68 -1.061473515e+00 -1.061473515e+00 3.70 -1.026441798e+00 -1.026441798e+00 3.72 -9.923035215e-01 -9.923035215e-01 3.74 -9.590112172e-01 -9.590112172e-01 3.76 -9.265239043e-01 -9.265239043e-01 3.78 -8.948075619e-01 -8.948075619e-01 3.80 -8.638354750e-01 -8.638354750e-01 3.82 -8.335883062e-01 -8.335883062e-01 3.84 -8.040537481e-01 -8.040537481e-01 3.86 -7.752256593e-01 -7.752256593e-01 3.88 -7.471026813e-01 -7.471026813e-01 3.90 -7.196864585e-01 -7.196864585e-01 3.92 -6.929796999e-01 -6.929796999e-01 3.94 -6.669843925e-01 -6.669843925e-01 3.96 -6.417004708e-01 -6.417004708e-01 3.98 -6.171251604e-01 -6.171251604e-01 4.00 -5.932530574e-01 -5.932530574e-01 4.02 -5.700768388e-01 -5.700768388e-01 4.04 -5.475883596e-01 -5.475883596e-01 4.06 -5.257798122e-01 -5.257798122e-01 4.08 -5.046446290e-01 -5.046446290e-01 4.10 -4.841778764e-01 -4.841778764e-01 4.12 -4.643760200e-01 -4.643760200e-01 4.14 -4.452360668e-01 -4.452360668e-01 4.16 -4.267542506e-01 -4.267542506e-01 4.18 -4.089244995e-01 -4.089244995e-01 4.20 -3.917369816e-01 -3.917369816e-01 4.22 -3.751769958e-01 -3.751769958e-01 4.24 -3.592244054e-01 -3.592244054e-01 4.26 -3.438537029e-01 -3.438537029e-01 4.28 -3.290346872e-01 -3.290346872e-01 4.30 -3.147336392e-01 -3.147336392e-01 4.32 -3.009148273e-01 -3.009148273e-01 4.34 -2.875421474e-01 -2.875421474e-01 4.36 -2.745807121e-01 -2.745807121e-01 4.38 -2.619982292e-01 -2.619982292e-01 4.40 -2.497660498e-01 -2.497660498e-01 4.42 -2.378598102e-01 -2.378598102e-01 4.44 -2.262596411e-01 -2.262596411e-01 4.46 -2.149499666e-01 -2.149499666e-01 4.48 -2.039189694e-01 -2.039189694e-01 4.50 -1.931578227e-01 -1.931578227e-01 4.52 -1.826598642e-01 -1.826598642e-01 4.54 -1.724198492e-01 -1.724198492e-01 4.56 -1.624334272e-01 -1.624334272e-01 4.58 -1.526969357e-01 -1.526969357e-01 4.60 -1.432075252e-01 -1.432075252e-01 4.62 -1.339636143e-01 -1.339636143e-01 4.64 -1.249655392e-01 -1.249655392e-01 4.66 -1.162161332e-01 -1.162161332e-01 4.68 -1.077219237e-01 -1.077219237e-01 4.70 -9.949321394e-02 -9.949321394e-02 4.72 -9.154405092e-02 -9.154405092e-02 4.74 -8.389186191e-02 -8.389186191e-02 4.76 -7.655664070e-02 -7.655664070e-02 4.78 -6.955974547e-02 -6.955974547e-02 4.80 -6.292242881e-02 -6.292242881e-02 4.82 -5.666426197e-02 -5.666426197e-02 4.84 -5.080162304e-02 -5.080162304e-02 4.86 -4.534641778e-02 -4.534641778e-02 4.88 -4.030515335e-02 -4.030515335e-02 4.90 -3.567843924e-02 -3.567843924e-02 4.92 -3.146092898e-02 -3.146092898e-02 4.94 -2.764166447e-02 -2.764166447e-02 4.96 -2.420473746e-02 -2.420473746e-02 4.98 -2.113017587e-02 -2.113017587e-02 5.00 -1.839494508e-02 -1.839494508e-02 5.02 -1.597396491e-02 -1.597396491e-02 5.04 -1.384067813e-02 -1.384067813e-02 5.06 -1.196853626e-02 -1.196853626e-02 5.08 -1.033203076e-02 -1.033203076e-02 5.10 -8.906440786e-03 -8.906440786e-03 5.12 -7.668314660e-03 -7.668314660e-03 5.14 -6.595791304e-03 -6.595791304e-03 5.16 -5.668784993e-03 -5.668784993e-03 5.18 -4.869062136e-03 -4.869062136e-03 5.20 -4.180236745e-03 -4.180236745e-03 5.22 -3.587707791e-03 -3.587707791e-03 5.24 -3.078557705e-03 -3.078557705e-03 5.26 -2.641427296e-03 -2.641427296e-03 5.28 -2.266378738e-03 -2.266378738e-03 5.30 -1.944755212e-03 -1.944755212e-03 5.32 -1.669043191e-03 -1.669043191e-03 5.34 -1.432741374e-03 -1.432741374e-03 5.36 -1.230238700e-03 -1.230238700e-03 5.38 -1.056702755e-03 -1.056702755e-03 5.40 -9.079790363e-04 -9.079790363e-04 5.42 -7.805009953e-04 -7.805009953e-04 5.44 -6.712103901e-04 -6.712103901e-04 5.46 -5.774872678e-04 -5.774872678e-04 5.48 -4.970887632e-04 -4.970887632e-04 5.50 -4.280958607e-04 -4.280958607e-04 5.52 -3.688672647e-04 -3.688672647e-04 5.54 -3.179995588e-04 -3.179995588e-04 5.56 -2.742928903e-04 -2.742928903e-04 5.58 -2.367214773e-04 -2.367214773e-04 5.60 -2.044083078e-04 -2.044083078e-04 5.62 -1.766034667e-04 -1.766034667e-04 5.64 -1.526655925e-04 -1.526655925e-04 5.66 -1.320460261e-04 -1.320460261e-04 5.68 -1.142752715e-04 -1.142752715e-04 5.70 -9.895143706e-05 -9.895143706e-05 5.72 -8.573037134e-05 -8.573037134e-05 5.74 -7.431724778e-05 -7.431724778e-05 5.76 -6.445938590e-05 -6.445938590e-05 5.78 -5.594012787e-05 -5.594012787e-05 5.80 -4.857361500e-05 -4.857361500e-05 5.82 -4.220033147e-05 -4.220033147e-05 5.84 -3.668330170e-05 -3.668330170e-05 5.86 -3.190484494e-05 -3.190484494e-05 5.88 -2.776380447e-05 -2.776380447e-05 5.90 -2.417318138e-05 -2.417318138e-05 5.92 -2.105811295e-05 -2.105811295e-05 5.94 -1.835414492e-05 -1.835414492e-05 5.96 -1.600575423e-05 -1.600575423e-05 5.98 -1.396508537e-05 -1.396508537e-05 6.00 -1.219086899e-05 -1.219086899e-05