# 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 = Cu2MoTa # 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 2.038360602e+02 2.038360602e+02 1.30 1.879445927e+02 1.879445927e+02 1.32 1.732803910e+02 1.732803910e+02 1.34 1.597419021e+02 1.597419021e+02 1.36 1.472353614e+02 1.472353614e+02 1.38 1.356740174e+02 1.356740174e+02 1.40 1.249786045e+02 1.249786045e+02 1.42 1.150781230e+02 1.150781230e+02 1.44 1.059094368e+02 1.059094368e+02 1.46 9.741555082e+01 9.741555082e+01 1.48 8.954366610e+01 8.954366610e+01 1.50 8.224411582e+01 8.224411582e+01 1.52 7.547046067e+01 7.547046067e+01 1.54 6.918019337e+01 6.918019337e+01 1.56 6.333531860e+01 6.333531860e+01 1.58 5.790248992e+01 5.790248992e+01 1.60 5.285278416e+01 5.285278416e+01 1.62 4.816121939e+01 4.816121939e+01 1.64 4.380602080e+01 4.380602080e+01 1.66 3.976769904e+01 3.976769904e+01 1.68 3.602811644e+01 3.602811644e+01 1.70 3.256969799e+01 3.256969799e+01 1.72 2.937616287e+01 2.937616287e+01 1.74 2.643403507e+01 2.643403507e+01 1.76 2.372673584e+01 2.372673584e+01 1.78 2.123656159e+01 2.123656159e+01 1.80 1.894529135e+01 1.894529135e+01 1.82 1.683579704e+01 1.683579704e+01 1.84 1.489256279e+01 1.489256279e+01 1.86 1.310199667e+01 1.310199667e+01 1.88 1.145224494e+01 1.145224494e+01 1.90 9.932882168e+00 9.932882168e+00 1.92 8.534515813e+00 8.534515813e+00 1.94 7.248438862e+00 7.248438862e+00 1.96 6.066407931e+00 6.066407931e+00 1.98 4.980556358e+00 4.980556358e+00 2.00 3.983407533e+00 3.983407533e+00 2.02 3.067940344e+00 3.067940344e+00 2.04 2.227661912e+00 2.227661912e+00 2.06 1.456652746e+00 1.456652746e+00 2.08 7.495667126e-01 7.495667126e-01 2.10 1.015905273e-01 1.015905273e-01 2.12 -4.916167298e-01 -4.916167298e-01 2.14 -1.033983140e+00 -1.033983140e+00 2.16 -1.529073295e+00 -1.529073295e+00 2.18 -1.980130687e+00 -1.980130687e+00 2.20 -2.390121134e+00 -2.390121134e+00 2.22 -2.761782616e+00 -2.761782616e+00 2.24 -3.097682258e+00 -3.097682258e+00 2.26 -3.400278198e+00 -3.400278198e+00 2.28 -3.671980834e+00 -3.671980834e+00 2.30 -3.915201962e+00 -3.915201962e+00 2.32 -4.132374732e+00 -4.132374732e+00 2.34 -4.325930391e+00 -4.325930391e+00 2.36 -4.498225419e+00 -4.498225419e+00 2.38 -4.651321872e+00 -4.651321872e+00 2.40 -4.787331558e+00 -4.787331558e+00 2.42 -4.908152034e+00 -4.908152034e+00 2.44 -5.015326156e+00 -5.015326156e+00 2.46 -5.110076738e+00 -5.110076738e+00 2.48 -5.193294546e+00 -5.193294546e+00 2.50 -5.265571793e+00 -5.265571793e+00 2.52 -5.327288992e+00 -5.327288992e+00 2.54 -5.378789509e+00 -5.378789509e+00 2.56 -5.420429459e+00 -5.420429459e+00 2.58 -5.452569899e+00 -5.452569899e+00 2.60 -5.475574943e+00 -5.475574943e+00 2.62 -5.489814638e+00 -5.489814638e+00 2.64 -5.495666780e+00 -5.495666780e+00 2.66 -5.493423004e+00 -5.493423004e+00 2.68 -5.483311150e+00 -5.483311150e+00 2.70 -5.465615018e+00 -5.465615018e+00 2.72 -5.440665971e+00 -5.440665971e+00 2.74 -5.408823196e+00 -5.408823196e+00 2.76 -5.370452471e+00 -5.370452471e+00 2.78 -5.325908335e+00 -5.325908335e+00 2.80 -5.275524312e+00 -5.275524312e+00 2.82 -5.219613457e+00 -5.219613457e+00 2.84 -5.158478478e+00 -5.158478478e+00 2.86 -5.092563662e+00 -5.092563662e+00 2.88 -5.022461145e+00 -5.022461145e+00 2.90 -4.948226731e+00 -4.948226731e+00 2.92 -4.869991971e+00 -4.869991971e+00 2.94 -4.787996713e+00 -4.787996713e+00 2.96 -4.702570776e+00 -4.702570776e+00 2.98 -4.614109245e+00 -4.614109245e+00 3.00 -4.523043037e+00 -4.523043037e+00 3.02 -4.429807431e+00 -4.429807431e+00 3.04 -4.334817488e+00 -4.334817488e+00 3.06 -4.238471829e+00 -4.238471829e+00 3.08 -4.141105825e+00 -4.141105825e+00 3.10 -4.042968186e+00 -4.042968186e+00 3.12 -3.944221376e+00 -3.944221376e+00 3.14 -3.844950281e+00 -3.844950281e+00 3.16 -3.745177321e+00 -3.745177321e+00 3.18 -3.644881959e+00 -3.644881959e+00 3.20 -3.544022456e+00 -3.544022456e+00 3.22 -3.442557836e+00 -3.442557836e+00 3.24 -3.340468224e+00 -3.340468224e+00 3.26 -3.237771996e+00 -3.237771996e+00 3.28 -3.134538471e+00 -3.134538471e+00 3.30 -3.030895217e+00 -3.030895217e+00 3.32 -2.927029533e+00 -2.927029533e+00 3.34 -2.823184199e+00 -2.823184199e+00 3.36 -2.719648119e+00 -2.719648119e+00 3.38 -2.616742999e+00 -2.616742999e+00 3.40 -2.514807504e+00 -2.514807504e+00 3.42 -2.414180451e+00 -2.414180451e+00 3.44 -2.315184517e+00 -2.315184517e+00 3.46 -2.218111706e+00 -2.218111706e+00 3.48 -2.123211524e+00 -2.123211524e+00 3.50 -2.030682495e+00 -2.030682495e+00 3.52 -1.940667358e+00 -1.940667358e+00 3.54 -1.853252030e+00 -1.853252030e+00 3.56 -1.768468156e+00 -1.768468156e+00 3.58 -1.686298877e+00 -1.686298877e+00 3.60 -1.606687248e+00 -1.606687248e+00 3.62 -1.529546628e+00 -1.529546628e+00 3.64 -1.454772257e+00 -1.454772257e+00 3.66 -1.382253237e+00 -1.382253237e+00 3.68 -1.311884143e+00 -1.311884143e+00 3.70 -1.243575506e+00 -1.243575506e+00 3.72 -1.177262519e+00 -1.177262519e+00 3.74 -1.112911358e+00 -1.112911358e+00 3.76 -1.050522623e+00 -1.050522623e+00 3.78 -9.901315633e-01 -9.901315633e-01 3.80 -9.318049578e-01 -9.318049578e-01 3.82 -8.756347990e-01 -8.756347990e-01 3.84 -8.217292787e-01 -8.217292787e-01 3.86 -7.702019084e-01 -7.702019084e-01 3.88 -7.211598865e-01 -7.211598865e-01 3.90 -6.746929636e-01 -6.746929636e-01 3.92 -6.308639925e-01 -6.308639925e-01 3.94 -5.897020917e-01 -5.897020917e-01 3.96 -5.511989393e-01 -5.511989393e-01 3.98 -5.153082535e-01 -5.153082535e-01 4.00 -4.819480983e-01 -4.819480983e-01 4.02 -4.510053649e-01 -4.510053649e-01 4.04 -4.223416497e-01 -4.223416497e-01 4.06 -3.957997649e-01 -3.957997649e-01 4.08 -3.712102408e-01 -3.712102408e-01 4.10 -3.483973564e-01 -3.483973564e-01 4.12 -3.271844219e-01 -3.271844219e-01 4.14 -3.073981967e-01 -3.073981967e-01 4.16 -2.888724564e-01 -2.888724564e-01 4.18 -2.714508024e-01 -2.714508024e-01 4.20 -2.549888470e-01 -2.549888470e-01 4.22 -2.393559206e-01 -2.393559206e-01 4.24 -2.244364253e-01 -2.244364253e-01 4.26 -2.101309266e-01 -2.101309266e-01 4.28 -1.963570229e-01 -1.963570229e-01 4.30 -1.830499763e-01 -1.830499763e-01 4.32 -1.701630407e-01 -1.701630407e-01 4.34 -1.576673737e-01 -1.576673737e-01 4.36 -1.455513362e-01 -1.455513362e-01 4.38 -1.338189717e-01 -1.338189717e-01 4.40 -1.224887644e-01 -1.224887644e-01 4.42 -1.115901898e-01 -1.115901898e-01 4.44 -1.011601701e-01 -1.011601701e-01 4.46 -9.123920784e-02 -9.123920784e-02 4.48 -8.186737220e-02 -8.186737220e-02 4.50 -7.308050539e-02 -7.308050539e-02 4.52 -6.490700289e-02 -6.490700289e-02 4.54 -5.736544569e-02 -5.736544569e-02 4.56 -5.046324394e-02 -5.046324394e-02 4.58 -4.419631331e-02 -4.419631331e-02 4.60 -3.854967801e-02 -3.854967801e-02 4.62 -3.349880034e-02 -3.349880034e-02 4.64 -2.901138677e-02 -2.901138677e-02 4.66 -2.504941908e-02 -2.504941908e-02 4.68 -2.157119529e-02 -2.157119529e-02 4.70 -1.853320664e-02 -1.853320664e-02 4.72 -1.589130669e-02 -1.589130669e-02 4.74 -1.360293524e-02 -1.360293524e-02 4.76 -1.162792199e-02 -1.162792199e-02 4.78 -9.928591975e-03 -9.928591975e-03 4.80 -8.470253668e-03 -8.470253668e-03 4.82 -7.221437404e-03 -7.221437404e-03 4.84 -6.153944334e-03 -6.153944334e-03 4.86 -5.242762286e-03 -5.242762286e-03 4.88 -4.465891818e-03 -4.465891818e-03 4.90 -3.804118448e-03 -3.804118448e-03 4.92 -3.240757605e-03 -3.240757605e-03 4.94 -2.761391454e-03 -2.761391454e-03 4.96 -2.353610788e-03 -2.353610788e-03 4.98 -2.006770463e-03 -2.006770463e-03 5.00 -1.711763365e-03 -1.711763365e-03 5.02 -1.460815381e-03 -1.460815381e-03 5.04 -1.247302080e-03 -1.247302080e-03 5.06 -1.065586659e-03 -1.065586659e-03 5.08 -9.108779612e-04 -9.108779612e-04 5.10 -7.791070003e-04 -7.791070003e-04 5.12 -6.668201859e-04 -6.668201859e-04 5.14 -5.710874434e-04 -5.710874434e-04 5.16 -4.894234501e-04 -4.894234501e-04 5.18 -4.197203291e-04 -4.197203291e-04 5.20 -3.601902773e-04 -3.601902773e-04 5.22 -3.093167630e-04 -3.093167630e-04 5.24 -2.658130792e-04 -2.658130792e-04 5.26 -2.285871889e-04 -2.285871889e-04 5.28 -1.967119360e-04 -1.967119360e-04 5.30 -1.693998203e-04 -1.693998203e-04 5.32 -1.459816503e-04 -1.459816503e-04 5.34 -1.258884809e-04 -1.258884809e-04 5.36 -1.086363355e-04 -1.086363355e-04 5.38 -9.381328254e-05 -9.381328254e-05 5.40 -8.106850350e-05 -8.106850350e-05 5.42 -7.010304360e-05 -7.010304360e-05 5.44 -6.066198476e-05 -6.066198476e-05 5.46 -5.252781975e-05 -5.252781975e-05 5.48 -4.551484115e-05 -4.551484115e-05 5.50 -3.946438766e-05 -3.946438766e-05 5.52 -3.424081505e-05 -3.424081505e-05 5.54 -2.972807934e-05 -2.972807934e-05 5.56 -2.582683786e-05 -2.582683786e-05 5.58 -2.245198808e-05 -2.245198808e-05 5.60 -1.953057720e-05 -1.953057720e-05 5.62 -1.700002526e-05 -1.700002526e-05 5.64 -1.480661411e-05 -1.480661411e-05 5.66 -1.290420143e-05 -1.290420143e-05 5.68 -1.125312576e-05 -1.125312576e-05 5.70 -9.819273425e-06 -9.819273425e-06 5.72 -8.573283042e-06 -8.573283042e-06 5.74 -7.489866744e-06 -7.489866744e-06 5.76 -6.547230711e-06 -6.547230711e-06 5.78 -5.726580120e-06 -5.726580120e-06 5.80 -5.011695926e-06 -5.011695926e-06 5.82 -4.388572840e-06 -4.388572840e-06 5.84 -3.845109423e-06 -3.845109423e-06 5.86 -3.370842638e-06 -3.370842638e-06 5.88 -2.956720320e-06 -2.956720320e-06 5.90 -2.594906035e-06 -2.594906035e-06 5.92 -2.278611589e-06 -2.278611589e-06 5.94 -2.001953192e-06 -2.001953192e-06 5.96 -1.759827850e-06 -1.759827850e-06 5.98 -1.547807070e-06 -1.547807070e-06 6.00 -1.362045400e-06 -1.362045400e-06