# 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 = CoMgZr2 # 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 3.617458268e+02 3.617458268e+02 1.30 3.357748744e+02 3.357748744e+02 1.32 3.117107106e+02 3.117107106e+02 1.34 2.894014469e+02 2.894014469e+02 1.36 2.687094216e+02 2.687094216e+02 1.38 2.495100339e+02 2.495100339e+02 1.40 2.316900267e+02 2.316900267e+02 1.42 2.151450503e+02 2.151450503e+02 1.44 1.997776772e+02 1.997776772e+02 1.46 1.854971974e+02 1.854971974e+02 1.48 1.722205992e+02 1.722205992e+02 1.50 1.598727876e+02 1.598727876e+02 1.52 1.483854646e+02 1.483854646e+02 1.54 1.376956826e+02 1.376956826e+02 1.56 1.277451541e+02 1.277451541e+02 1.58 1.184803718e+02 1.184803718e+02 1.60 1.098526163e+02 1.098526163e+02 1.62 1.018173655e+02 1.018173655e+02 1.64 9.433339553e+01 9.433339553e+01 1.66 8.736209412e+01 8.736209412e+01 1.68 8.086719902e+01 8.086719902e+01 1.70 7.481495500e+01 7.481495500e+01 1.72 6.917422074e+01 6.917422074e+01 1.74 6.391641254e+01 6.391641254e+01 1.76 5.901525096e+01 5.901525096e+01 1.78 5.444649661e+01 5.444649661e+01 1.80 5.018765541e+01 5.018765541e+01 1.82 4.621774292e+01 4.621774292e+01 1.84 4.251696030e+01 4.251696030e+01 1.86 3.906663522e+01 3.906663522e+01 1.88 3.584987281e+01 3.584987281e+01 1.90 3.285129825e+01 3.285129825e+01 1.92 3.005622123e+01 3.005622123e+01 1.94 2.745132603e+01 2.745132603e+01 1.96 2.502466261e+01 2.502466261e+01 1.98 2.276474250e+01 2.276474250e+01 2.00 2.066081952e+01 2.066081952e+01 2.02 1.870283007e+01 1.870283007e+01 2.04 1.688132294e+01 1.688132294e+01 2.06 1.518738064e+01 1.518738064e+01 2.08 1.361253642e+01 1.361253642e+01 2.10 1.214872341e+01 1.214872341e+01 2.12 1.078828668e+01 1.078828668e+01 2.14 9.524026254e+00 9.524026254e+00 2.16 8.349275169e+00 8.349275169e+00 2.18 7.257925086e+00 7.257925086e+00 2.20 6.244405133e+00 6.244405133e+00 2.22 5.303590336e+00 5.303590336e+00 2.24 4.430721529e+00 4.430721529e+00 2.26 3.621360413e+00 3.621360413e+00 2.28 2.871365337e+00 2.871365337e+00 2.30 2.176925875e+00 2.176925875e+00 2.32 1.534513602e+00 1.534513602e+00 2.34 9.409045066e-01 9.409045066e-01 2.36 3.931027756e-01 3.931027756e-01 2.38 -1.116993814e-01 -1.116993814e-01 2.40 -5.761677157e-01 -5.761677157e-01 2.42 -1.002872202e+00 -1.002872202e+00 2.44 -1.394307168e+00 -1.394307168e+00 2.46 -1.752911638e+00 -1.752911638e+00 2.48 -2.081061689e+00 -2.081061689e+00 2.50 -2.381047396e+00 -2.381047396e+00 2.52 -2.655039823e+00 -2.655039823e+00 2.54 -2.905058062e+00 -2.905058062e+00 2.56 -3.132945417e+00 -3.132945417e+00 2.58 -3.340360562e+00 -3.340360562e+00 2.60 -3.528784734e+00 -3.528784734e+00 2.62 -3.699536799e+00 -3.699536799e+00 2.64 -3.853817229e+00 -3.853817229e+00 2.66 -3.992814019e+00 -3.992814019e+00 2.68 -4.117495039e+00 -4.117495039e+00 2.70 -4.228668130e+00 -4.228668130e+00 2.72 -4.327124114e+00 -4.327124114e+00 2.74 -4.413638174e+00 -4.413638174e+00 2.76 -4.488966703e+00 -4.488966703e+00 2.78 -4.553837922e+00 -4.553837922e+00 2.80 -4.608957096e+00 -4.608957096e+00 2.82 -4.654912397e+00 -4.654912397e+00 2.84 -4.692035914e+00 -4.692035914e+00 2.86 -4.720634229e+00 -4.720634229e+00 2.88 -4.741042562e+00 -4.741042562e+00 2.90 -4.753617748e+00 -4.753617748e+00 2.92 -4.758733800e+00 -4.758733800e+00 2.94 -4.756806755e+00 -4.756806755e+00 2.96 -4.748226377e+00 -4.748226377e+00 2.98 -4.733366600e+00 -4.733366600e+00 3.00 -4.712609794e+00 -4.712609794e+00 3.02 -4.686342321e+00 -4.686342321e+00 3.04 -4.654945426e+00 -4.654945426e+00 3.06 -4.618810991e+00 -4.618810991e+00 3.08 -4.578306889e+00 -4.578306889e+00 3.10 -4.533797928e+00 -4.533797928e+00 3.12 -4.485634041e+00 -4.485634041e+00 3.14 -4.434142389e+00 -4.434142389e+00 3.16 -4.379615094e+00 -4.379615094e+00 3.18 -4.322351854e+00 -4.322351854e+00 3.20 -4.262654097e+00 -4.262654097e+00 3.22 -4.200823250e+00 -4.200823250e+00 3.24 -4.137159373e+00 -4.137159373e+00 3.26 -4.071960367e+00 -4.071960367e+00 3.28 -4.005521113e+00 -4.005521113e+00 3.30 -3.938131152e+00 -3.938131152e+00 3.32 -3.870069799e+00 -3.870069799e+00 3.34 -3.801598659e+00 -3.801598659e+00 3.36 -3.732953002e+00 -3.732953002e+00 3.38 -3.664334333e+00 -3.664334333e+00 3.40 -3.595904398e+00 -3.595904398e+00 3.42 -3.527793098e+00 -3.527793098e+00 3.44 -3.460090064e+00 -3.460090064e+00 3.46 -3.392859774e+00 -3.392859774e+00 3.48 -3.326146207e+00 -3.326146207e+00 3.50 -3.259979172e+00 -3.259979172e+00 3.52 -3.194379217e+00 -3.194379217e+00 3.54 -3.129360911e+00 -3.129360911e+00 3.56 -3.064934729e+00 -3.064934729e+00 3.58 -3.001107924e+00 -3.001107924e+00 3.60 -2.937884834e+00 -2.937884834e+00 3.62 -2.875267001e+00 -2.875267001e+00 3.64 -2.813253431e+00 -2.813253431e+00 3.66 -2.751841207e+00 -2.751841207e+00 3.68 -2.691026611e+00 -2.691026611e+00 3.70 -2.630806818e+00 -2.630806818e+00 3.72 -2.571182141e+00 -2.571182141e+00 3.74 -2.512158727e+00 -2.512158727e+00 3.76 -2.453751477e+00 -2.453751477e+00 3.78 -2.395986833e+00 -2.395986833e+00 3.80 -2.338913400e+00 -2.338913400e+00 3.82 -2.282590340e+00 -2.282590340e+00 3.84 -2.227076961e+00 -2.227076961e+00 3.86 -2.172446082e+00 -2.172446082e+00 3.88 -2.118779167e+00 -2.118779167e+00 3.90 -2.066159868e+00 -2.066159868e+00 3.92 -2.014663217e+00 -2.014663217e+00 3.94 -1.964363868e+00 -1.964363868e+00 3.96 -1.915306969e+00 -1.915306969e+00 3.98 -1.867521929e+00 -1.867521929e+00 4.00 -1.821016127e+00 -1.821016127e+00 4.02 -1.775766769e+00 -1.775766769e+00 4.04 -1.731730590e+00 -1.731730590e+00 4.06 -1.688855728e+00 -1.688855728e+00 4.08 -1.647085566e+00 -1.647085566e+00 4.10 -1.606356149e+00 -1.606356149e+00 4.12 -1.566624356e+00 -1.566624356e+00 4.14 -1.527830010e+00 -1.527830010e+00 4.16 -1.489925367e+00 -1.489925367e+00 4.18 -1.452868422e+00 -1.452868422e+00 4.20 -1.416623220e+00 -1.416623220e+00 4.22 -1.381159801e+00 -1.381159801e+00 4.24 -1.346453870e+00 -1.346453870e+00 4.26 -1.312486246e+00 -1.312486246e+00 4.28 -1.279242144e+00 -1.279242144e+00 4.30 -1.246710312e+00 -1.246710312e+00 4.32 -1.214882095e+00 -1.214882095e+00 4.34 -1.183750462e+00 -1.183750462e+00 4.36 -1.153309094e+00 -1.153309094e+00 4.38 -1.123551579e+00 -1.123551579e+00 4.40 -1.094470788e+00 -1.094470788e+00 4.42 -1.066058452e+00 -1.066058452e+00 4.44 -1.038304939e+00 -1.038304939e+00 4.46 -1.011199209e+00 -1.011199209e+00 4.48 -9.847288944e-01 -9.847288944e-01 4.50 -9.588804712e-01 -9.588804712e-01 4.52 -9.336394602e-01 -9.336394602e-01 4.54 -9.089906397e-01 -9.089906397e-01 4.56 -8.849182411e-01 -8.849182411e-01 4.58 -8.614061231e-01 -8.614061231e-01 4.60 -8.384379216e-01 -8.384379216e-01 4.62 -8.159971844e-01 -8.159971844e-01 4.64 -7.940674969e-01 -7.940674969e-01 4.66 -7.726326110e-01 -7.726326110e-01 4.68 -7.516765828e-01 -7.516765828e-01 4.70 -7.311839284e-01 -7.311839284e-01 4.72 -7.111398000e-01 -7.111398000e-01 4.74 -6.915301832e-01 -6.915301832e-01 4.76 -6.723421130e-01 -6.723421130e-01 4.78 -6.535638991e-01 -6.535638991e-01 4.80 -6.351790743e-01 -6.351790743e-01 4.82 -6.171927539e-01 -6.171927539e-01 4.84 -5.995907767e-01 -5.995907767e-01 4.86 -5.823684698e-01 -5.823684698e-01 4.88 -5.655230716e-01 -5.655230716e-01 4.90 -5.490535870e-01 -5.490535870e-01 4.92 -5.329605023e-01 -5.329605023e-01 4.94 -5.172453569e-01 -5.172453569e-01 4.96 -5.019101945e-01 -5.019101945e-01 4.98 -4.869569320e-01 -4.869569320e-01 5.00 -4.723867041e-01 -4.723867041e-01 5.02 -4.581992499e-01 -4.581992499e-01 5.04 -4.443924062e-01 -4.443924062e-01 5.06 -4.309617578e-01 -4.309617578e-01 5.08 -4.179004743e-01 -4.179004743e-01 5.10 -4.051993390e-01 -4.051993390e-01 5.12 -3.928469516e-01 -3.928469516e-01 5.14 -3.808300702e-01 -3.808300702e-01 5.16 -3.691340513e-01 -3.691340513e-01 5.18 -3.577433454e-01 -3.577433454e-01 5.20 -3.466420139e-01 -3.466420139e-01 5.22 -3.358142390e-01 -3.358142390e-01 5.24 -3.252448112e-01 -3.252448112e-01 5.26 -3.149195831e-01 -3.149195831e-01 5.28 -3.048258850e-01 -3.048258850e-01 5.30 -2.949528955e-01 -2.949528955e-01 5.32 -2.852919605e-01 -2.852919605e-01 5.34 -2.758368487e-01 -2.758368487e-01 5.36 -2.665839267e-01 -2.665839267e-01 5.38 -2.575322329e-01 -2.575322329e-01 5.40 -2.486834301e-01 -2.486834301e-01 5.42 -2.400416176e-01 -2.400416176e-01 5.44 -2.316129938e-01 -2.316129938e-01 5.46 -2.234053727e-01 -2.234053727e-01 5.48 -2.154275734e-01 -2.154275734e-01 5.50 -2.076887209e-01 -2.076887209e-01 5.52 -2.001975076e-01 -2.001975076e-01 5.54 -1.929614777e-01 -1.929614777e-01 5.56 -1.859863943e-01 -1.859863943e-01 5.58 -1.792757391e-01 -1.792757391e-01 5.60 -1.728303849e-01 -1.728303849e-01 5.62 -1.666484521e-01 -1.666484521e-01 5.64 -1.607253460e-01 -1.607253460e-01 5.66 -1.550539483e-01 -1.550539483e-01 5.68 -1.496249282e-01 -1.496249282e-01 5.70 -1.444271290e-01 -1.444271290e-01 5.72 -1.394478849e-01 -1.394478849e-01 5.74 -1.346735511e-01 -1.346735511e-01 5.76 -1.300900859e-01 -1.300900859e-01 5.78 -1.256831559e-01 -1.256831559e-01 5.80 -1.214384255e-01 -1.214384255e-01 5.82 -1.173417867e-01 -1.173417867e-01 5.84 -1.133795306e-01 -1.133795306e-01 5.86 -1.095384676e-01 -1.095384676e-01 5.88 -1.058060072e-01 -1.058060072e-01 5.90 -1.021702072e-01 -1.021702072e-01 5.92 -9.861980177e-02 -9.861980177e-02 5.94 -9.514422060e-02 -9.514422060e-02 5.96 -9.173360381e-02 -9.173360381e-02 5.98 -8.837882226e-02 -8.837882226e-02 6.00 -8.507150735e-02 -8.507150735e-02