# 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 = FePd2W # 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 3.496008139e+02 3.496008139e+02 1.30 3.229878848e+02 3.229878848e+02 1.32 2.983921144e+02 2.983921144e+02 1.34 2.756496318e+02 2.756496318e+02 1.36 2.546141716e+02 2.546141716e+02 1.38 2.351534585e+02 2.351534585e+02 1.40 2.171464864e+02 2.171464864e+02 1.42 2.004814152e+02 2.004814152e+02 1.44 1.850544541e+02 1.850544541e+02 1.46 1.707695884e+02 1.707695884e+02 1.48 1.575382641e+02 1.575382641e+02 1.50 1.452786472e+02 1.452786472e+02 1.52 1.339148224e+02 1.339148224e+02 1.54 1.233762751e+02 1.233762751e+02 1.56 1.135975991e+02 1.135975991e+02 1.58 1.045182521e+02 1.045182521e+02 1.60 9.608236610e+01 9.608236610e+01 1.62 8.823872525e+01 8.823872525e+01 1.64 8.094086473e+01 8.094086473e+01 1.66 7.414707030e+01 7.414707030e+01 1.68 6.782011653e+01 6.782011653e+01 1.70 6.192676202e+01 6.192676202e+01 1.72 5.643759631e+01 5.643759631e+01 1.74 5.132588088e+01 5.132588088e+01 1.76 4.656692559e+01 4.656692559e+01 1.78 4.213839997e+01 4.213839997e+01 1.80 3.804557458e+01 3.804557458e+01 1.82 3.428443260e+01 3.428443260e+01 1.84 3.083229711e+01 3.083229711e+01 1.86 2.766729044e+01 2.766729044e+01 1.88 2.476802146e+01 2.476802146e+01 1.90 2.211355464e+01 2.211355464e+01 1.92 1.968365654e+01 1.968365654e+01 1.94 1.745917739e+01 1.745917739e+01 1.96 1.542237511e+01 1.542237511e+01 1.98 1.355705897e+01 1.355705897e+01 2.00 1.184855116e+01 1.184855116e+01 2.02 1.028354087e+01 1.028354087e+01 2.04 8.849908310e+00 8.849908310e+00 2.06 7.536562988e+00 7.536562988e+00 2.08 6.333312433e+00 6.333312433e+00 2.10 5.230767508e+00 5.230767508e+00 2.12 4.220287186e+00 4.220287186e+00 2.14 3.293959305e+00 3.293959305e+00 2.16 2.444603390e+00 2.444603390e+00 2.18 1.665774551e+00 1.665774551e+00 2.20 9.517491849e-01 9.517491849e-01 2.22 2.974826634e-01 2.974826634e-01 2.24 -3.014593492e-01 -3.014593492e-01 2.26 -8.489747178e-01 -8.489747178e-01 2.28 -1.348431823e+00 -1.348431823e+00 2.30 -1.803059258e+00 -1.803059258e+00 2.32 -2.215832104e+00 -2.215832104e+00 2.34 -2.589478812e+00 -2.589478812e+00 2.36 -2.926543797e+00 -2.926543797e+00 2.38 -3.229435835e+00 -3.229435835e+00 2.40 -3.500450277e+00 -3.500450277e+00 2.42 -3.741565091e+00 -3.741565091e+00 2.44 -3.954552320e+00 -3.954552320e+00 2.46 -4.141224438e+00 -4.141224438e+00 2.48 -4.303419034e+00 -4.303419034e+00 2.50 -4.442968033e+00 -4.442968033e+00 2.52 -4.561658008e+00 -4.561658008e+00 2.54 -4.661185776e+00 -4.661185776e+00 2.56 -4.743119095e+00 -4.743119095e+00 2.58 -4.808872530e+00 -4.808872530e+00 2.60 -4.859703020e+00 -4.859703020e+00 2.62 -4.896722474e+00 -4.896722474e+00 2.64 -4.920920230e+00 -4.920920230e+00 2.66 -4.933188033e+00 -4.933188033e+00 2.68 -4.934342687e+00 -4.934342687e+00 2.70 -4.925144589e+00 -4.925144589e+00 2.72 -4.906312380e+00 -4.906312380e+00 2.74 -4.878671119e+00 -4.878671119e+00 2.76 -4.843525215e+00 -4.843525215e+00 2.78 -4.801277487e+00 -4.801277487e+00 2.80 -4.752250506e+00 -4.752250506e+00 2.82 -4.696833441e+00 -4.696833441e+00 2.84 -4.635476107e+00 -4.635476107e+00 2.86 -4.568681937e+00 -4.568681937e+00 2.88 -4.496955195e+00 -4.496955195e+00 2.90 -4.420620971e+00 -4.420620971e+00 2.92 -4.340073298e+00 -4.340073298e+00 2.94 -4.255770084e+00 -4.255770084e+00 2.96 -4.168177575e+00 -4.168177575e+00 2.98 -4.077757533e+00 -4.077757533e+00 3.00 -3.984955655e+00 -3.984955655e+00 3.02 -3.890192272e+00 -3.890192272e+00 3.04 -3.793855490e+00 -3.793855490e+00 3.06 -3.696296324e+00 -3.696296324e+00 3.08 -3.597825355e+00 -3.597825355e+00 3.10 -3.498710789e+00 -3.498710789e+00 3.12 -3.399178235e+00 -3.399178235e+00 3.14 -3.299412708e+00 -3.299412708e+00 3.16 -3.199563197e+00 -3.199563197e+00 3.18 -3.099749675e+00 -3.099749675e+00 3.20 -3.000072002e+00 -3.000072002e+00 3.22 -2.900619809e+00 -2.900619809e+00 3.24 -2.801482359e+00 -2.801482359e+00 3.26 -2.702757497e+00 -2.702757497e+00 3.28 -2.604558992e+00 -2.604558992e+00 3.30 -2.507021918e+00 -2.507021918e+00 3.32 -2.410305913e+00 -2.410305913e+00 3.34 -2.314596390e+00 -2.314596390e+00 3.36 -2.220103799e+00 -2.220103799e+00 3.38 -2.127061063e+00 -2.127061063e+00 3.40 -2.035719260e+00 -2.035719260e+00 3.42 -1.946341583e+00 -1.946341583e+00 3.44 -1.859195719e+00 -1.859195719e+00 3.46 -1.774544870e+00 -1.774544870e+00 3.48 -1.692637915e+00 -1.692637915e+00 3.50 -1.613699395e+00 -1.613699395e+00 3.52 -1.537920164e+00 -1.537920164e+00 3.54 -1.465449590e+00 -1.465449590e+00 3.56 -1.396390032e+00 -1.396390032e+00 3.58 -1.330794083e+00 -1.330794083e+00 3.60 -1.268664708e+00 -1.268664708e+00 3.62 -1.209958074e+00 -1.209958074e+00 3.64 -1.154588599e+00 -1.154588599e+00 3.66 -1.102435542e+00 -1.102435542e+00 3.68 -1.053350430e+00 -1.053350430e+00 3.70 -1.007164657e+00 -1.007164657e+00 3.72 -9.636966972e-01 -9.636966972e-01 3.74 -9.227585467e-01 -9.227585467e-01 3.76 -8.841611666e-01 -8.841611666e-01 3.78 -8.477188440e-01 -8.477188440e-01 3.80 -8.132524980e-01 -8.132524980e-01 3.82 -7.805920426e-01 -7.805920426e-01 3.84 -7.495779593e-01 -7.495779593e-01 3.86 -7.200622525e-01 -7.200622525e-01 3.88 -6.919089586e-01 -6.919089586e-01 3.90 -6.649943624e-01 -6.649943624e-01 3.92 -6.392070472e-01 -6.392070472e-01 3.94 -6.144478724e-01 -6.144478724e-01 3.96 -5.906299310e-01 -5.906299310e-01 3.98 -5.676785031e-01 -5.676785031e-01 4.00 -5.455309778e-01 -5.455309778e-01 4.02 -5.241366763e-01 -5.241366763e-01 4.04 -5.034564842e-01 -5.034564842e-01 4.06 -4.834621824e-01 -4.834621824e-01 4.08 -4.641353813e-01 -4.641353813e-01 4.10 -4.454659957e-01 -4.454659957e-01 4.12 -4.274502694e-01 -4.274502694e-01 4.14 -4.100884263e-01 -4.100884263e-01 4.16 -3.933821306e-01 -3.933821306e-01 4.18 -3.773319748e-01 -3.773319748e-01 4.20 -3.619352456e-01 -3.619352456e-01 4.22 -3.471841751e-01 -3.471841751e-01 4.24 -3.330648555e-01 -3.330648555e-01 4.26 -3.195568355e-01 -3.195568355e-01 4.28 -3.066333548e-01 -3.066333548e-01 4.30 -2.942620538e-01 -2.942620538e-01 4.32 -2.824060456e-01 -2.824060456e-01 4.34 -2.710250256e-01 -2.710250256e-01 4.36 -2.600766623e-01 -2.600766623e-01 4.38 -2.495181040e-01 -2.495181040e-01 4.40 -2.393065456e-01 -2.393065456e-01 4.42 -2.294001139e-01 -2.294001139e-01 4.44 -2.197585954e-01 -2.197585954e-01 4.46 -2.103440311e-01 -2.103440311e-01 4.48 -2.011212227e-01 -2.011212227e-01 4.50 -1.920581997e-01 -1.920581997e-01 4.52 -1.831266850e-01 -1.831266850e-01 4.54 -1.743025871e-01 -1.743025871e-01 4.56 -1.655665307e-01 -1.655665307e-01 4.58 -1.569044174e-01 -1.569044174e-01 4.60 -1.483079913e-01 -1.483079913e-01 4.62 -1.397753601e-01 -1.397753601e-01 4.64 -1.313114082e-01 -1.313114082e-01 4.66 -1.229280217e-01 -1.229280217e-01 4.68 -1.146440423e-01 -1.146440423e-01 4.70 -1.064848751e-01 -1.064848751e-01 4.72 -9.848169647e-02 -9.848169647e-02 4.74 -9.067024510e-02 -9.067024510e-02 4.76 -8.308922983e-02 -8.308922983e-02 4.78 -7.577843924e-02 -7.577843924e-02 4.80 -6.877668796e-02 -6.877668796e-02 4.82 -6.211977030e-02 -6.211977030e-02 4.84 -5.583859571e-02 -5.583859571e-02 4.86 -4.995767558e-02 -4.995767558e-02 4.88 -4.449407787e-02 -4.449407787e-02 4.90 -3.945691520e-02 -3.945691520e-02 4.92 -3.484736560e-02 -3.484736560e-02 4.94 -3.065916942e-02 -3.065916942e-02 4.96 -2.687949608e-02 -2.687949608e-02 4.98 -2.349006646e-02 -2.349006646e-02 5.00 -2.046840146e-02 -2.046840146e-02 5.02 -1.778908086e-02 -1.778908086e-02 5.04 -1.542453320e-02 -1.542453320e-02 5.06 -1.334672518e-02 -1.334672518e-02 5.08 -1.152836053e-02 -1.152836053e-02 5.10 -9.942760584e-03 -9.942760584e-03 5.12 -8.564453040e-03 -8.564453040e-03 5.14 -7.369573717e-03 -7.369573717e-03 5.16 -6.336108515e-03 -6.336108515e-03 5.18 -5.444008315e-03 -5.444008315e-03 5.20 -4.675207434e-03 -4.675207434e-03 5.22 -4.013572405e-03 -4.013572405e-03 5.24 -3.444803355e-03 -3.444803355e-03 5.26 -2.956305787e-03 -2.956305787e-03 5.28 -2.537046421e-03 -2.537046421e-03 5.30 -2.177403207e-03 -2.177403207e-03 5.32 -1.869016659e-03 -1.869016659e-03 5.34 -1.604647345e-03 -1.604647345e-03 5.36 -1.378042556e-03 -1.378042556e-03 5.38 -1.183813817e-03 -1.183813817e-03 5.40 -1.017325976e-03 -1.017325976e-03 5.42 -8.745979032e-04 -8.745979032e-04 5.44 -7.522143823e-04 -7.522143823e-04 5.46 -6.472485261e-04 -6.472485261e-04 5.48 -5.571938607e-04 -5.571938607e-04 5.50 -4.799051756e-04 -4.799051756e-04 5.52 -4.135472182e-04 -4.135472182e-04 5.54 -3.565503450e-04 -3.565503450e-04 5.56 -3.075722929e-04 -3.075722929e-04 5.58 -2.654653021e-04 -2.654653021e-04 5.60 -2.292478961e-04 -2.292478961e-04 5.62 -1.980806960e-04 -1.980806960e-04 5.64 -1.712457178e-04 -1.712457178e-04 5.66 -1.481286692e-04 -1.481286692e-04 5.68 -1.282038227e-04 -1.282038227e-04 5.70 -1.110210977e-04 -1.110210977e-04 5.72 -9.619503375e-05 -9.619503375e-05 5.74 -8.339538061e-05 -8.339538061e-05 5.76 -7.233906961e-05 -7.233906961e-05 5.78 -6.278336372e-05 -6.278336372e-05 5.80 -5.452001344e-05 -5.452001344e-05 5.82 -4.737027005e-05 -4.737027005e-05 5.84 -4.118062988e-05 -4.118062988e-05 5.86 -3.581920158e-05 -3.581920158e-05 5.88 -3.117260425e-05 -3.117260425e-05 5.90 -2.714331816e-05 -2.714331816e-05 5.92 -2.364742115e-05 -2.364742115e-05 5.94 -2.061265375e-05 -2.061265375e-05 5.96 -1.797676472e-05 -1.797676472e-05 5.98 -1.568609568e-05 -1.568609568e-05 6.00 -1.369436977e-05 -1.369436977e-05