# 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 = AlFeNi2 # 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 1.128208552e+02 1.128208552e+02 1.30 1.033982896e+02 1.033982896e+02 1.32 9.473227329e+01 9.473227329e+01 1.34 8.675377394e+01 8.675377394e+01 1.36 7.940261499e+01 7.940261499e+01 1.38 7.262812268e+01 7.262812268e+01 1.40 6.638683156e+01 6.638683156e+01 1.42 6.063941969e+01 6.063941969e+01 1.44 5.534842680e+01 5.534842680e+01 1.46 5.047731285e+01 5.047731285e+01 1.48 4.599093790e+01 4.599093790e+01 1.50 4.185683266e+01 4.185683266e+01 1.52 3.804615801e+01 3.804615801e+01 1.54 3.453369955e+01 3.453369955e+01 1.56 3.129706812e+01 3.129706812e+01 1.58 2.831572144e+01 2.831572144e+01 1.60 2.557027295e+01 2.557027295e+01 1.62 2.304254186e+01 2.304254186e+01 1.64 2.071728766e+01 2.071728766e+01 1.66 1.857937068e+01 1.857937068e+01 1.68 1.661376702e+01 1.661376702e+01 1.70 1.480636726e+01 1.480636726e+01 1.72 1.314397459e+01 1.314397459e+01 1.74 1.161433675e+01 1.161433675e+01 1.76 1.020620566e+01 1.020620566e+01 1.78 8.909452156e+00 8.909452156e+00 1.80 7.715188947e+00 7.715188947e+00 1.82 6.615796404e+00 6.615796404e+00 1.84 5.604781209e+00 5.604781209e+00 1.86 4.676479059e+00 4.676479059e+00 1.88 3.825681652e+00 3.825681652e+00 1.90 3.047293833e+00 3.047293833e+00 1.92 2.336107955e+00 2.336107955e+00 1.94 1.686742825e+00 1.686742825e+00 1.96 1.093746442e+00 1.093746442e+00 1.98 5.518099874e-01 5.518099874e-01 2.00 5.600586318e-02 5.600586318e-02 2.02 -3.980315637e-01 -3.980315637e-01 2.04 -8.140260622e-01 -8.140260622e-01 2.06 -1.195081395e+00 -1.195081395e+00 2.08 -1.543775716e+00 -1.543775716e+00 2.10 -1.862287382e+00 -1.862287382e+00 2.12 -2.152517106e+00 -2.152517106e+00 2.14 -2.416187084e+00 -2.416187084e+00 2.16 -2.654912123e+00 -2.654912123e+00 2.18 -2.870245779e+00 -2.870245779e+00 2.20 -3.063706659e+00 -3.063706659e+00 2.22 -3.236789533e+00 -3.236789533e+00 2.24 -3.390964683e+00 -3.390964683e+00 2.26 -3.527669041e+00 -3.527669041e+00 2.28 -3.648294154e+00 -3.648294154e+00 2.30 -3.754175913e+00 -3.754175913e+00 2.32 -3.846586746e+00 -3.846586746e+00 2.34 -3.926724366e+00 -3.926724366e+00 2.36 -3.995690733e+00 -3.995690733e+00 2.38 -4.054463320e+00 -4.054463320e+00 2.40 -4.103870864e+00 -4.103870864e+00 2.42 -4.144585893e+00 -4.144585893e+00 2.44 -4.177153266e+00 -4.177153266e+00 2.46 -4.202031753e+00 -4.202031753e+00 2.48 -4.219640012e+00 -4.219640012e+00 2.50 -4.230394970e+00 -4.230394970e+00 2.52 -4.234752036e+00 -4.234752036e+00 2.54 -4.233852668e+00 -4.233852668e+00 2.56 -4.228018255e+00 -4.228018255e+00 2.58 -4.217090278e+00 -4.217090278e+00 2.60 -4.201071099e+00 -4.201071099e+00 2.62 -4.180091776e+00 -4.180091776e+00 2.64 -4.154374607e+00 -4.154374607e+00 2.66 -4.124196583e+00 -4.124196583e+00 2.68 -4.089862933e+00 -4.089862933e+00 2.70 -4.051703303e+00 -4.051703303e+00 2.72 -4.010040565e+00 -4.010040565e+00 2.74 -3.965121447e+00 -3.965121447e+00 2.76 -3.917165087e+00 -3.917165087e+00 2.78 -3.866398551e+00 -3.866398551e+00 2.80 -3.813045492e+00 -3.813045492e+00 2.82 -3.757314684e+00 -3.757314684e+00 2.84 -3.699392633e+00 -3.699392633e+00 2.86 -3.639441966e+00 -3.639441966e+00 2.88 -3.577604877e+00 -3.577604877e+00 2.90 -3.514009517e+00 -3.514009517e+00 2.92 -3.448777350e+00 -3.448777350e+00 2.94 -3.382030433e+00 -3.382030433e+00 2.96 -3.313898410e+00 -3.313898410e+00 2.98 -3.244525157e+00 -3.244525157e+00 3.00 -3.174074571e+00 -3.174074571e+00 3.02 -3.102734320e+00 -3.102734320e+00 3.04 -3.030716013e+00 -3.030716013e+00 3.06 -2.958250708e+00 -2.958250708e+00 3.08 -2.885579759e+00 -2.885579759e+00 3.10 -2.812942793e+00 -2.812942793e+00 3.12 -2.740565581e+00 -2.740565581e+00 3.14 -2.668650920e+00 -2.668650920e+00 3.16 -2.597374451e+00 -2.597374451e+00 3.18 -2.526885880e+00 -2.526885880e+00 3.20 -2.457314216e+00 -2.457314216e+00 3.22 -2.388774850e+00 -2.388774850e+00 3.24 -2.321376199e+00 -2.321376199e+00 3.26 -2.255224192e+00 -2.255224192e+00 3.28 -2.190423784e+00 -2.190423784e+00 3.30 -2.127077538e+00 -2.127077538e+00 3.32 -2.065281928e+00 -2.065281928e+00 3.34 -2.005122396e+00 -2.005122396e+00 3.36 -1.946668282e+00 -1.946668282e+00 3.38 -1.889968556e+00 -1.889968556e+00 3.40 -1.835049048e+00 -1.835049048e+00 3.42 -1.781911461e+00 -1.781911461e+00 3.44 -1.730534139e+00 -1.730534139e+00 3.46 -1.680874335e+00 -1.680874335e+00 3.48 -1.632871540e+00 -1.632871540e+00 3.50 -1.586451403e+00 -1.586451403e+00 3.52 -1.541529821e+00 -1.541529821e+00 3.54 -1.498016851e+00 -1.498016851e+00 3.56 -1.455820203e+00 -1.455820203e+00 3.58 -1.414848177e+00 -1.414848177e+00 3.60 -1.375011992e+00 -1.375011992e+00 3.62 -1.336227544e+00 -1.336227544e+00 3.64 -1.298416668e+00 -1.298416668e+00 3.66 -1.261508031e+00 -1.261508031e+00 3.68 -1.225437792e+00 -1.225437792e+00 3.70 -1.190150170e+00 -1.190150170e+00 3.72 -1.155598018e+00 -1.155598018e+00 3.74 -1.121743440e+00 -1.121743440e+00 3.76 -1.088558437e+00 -1.088558437e+00 3.78 -1.056025446e+00 -1.056025446e+00 3.80 -1.024137581e+00 -1.024137581e+00 3.82 -9.928983228e-01 -9.928983228e-01 3.84 -9.623204250e-01 -9.623204250e-01 3.86 -9.324238823e-01 -9.324238823e-01 3.88 -9.032329617e-01 -9.032329617e-01 3.90 -8.747725115e-01 -8.747725115e-01 3.92 -8.470639477e-01 -8.470639477e-01 3.94 -8.201214647e-01 -8.201214647e-01 3.96 -7.939489412e-01 -7.939489412e-01 3.98 -7.685380208e-01 -7.685380208e-01 4.00 -7.438674911e-01 -7.438674911e-01 4.02 -7.199039387e-01 -7.199039387e-01 4.04 -6.966034382e-01 -6.966034382e-01 4.06 -6.739139356e-01 -6.739139356e-01 4.08 -6.517779828e-01 -6.517779828e-01 4.10 -6.301355243e-01 -6.301355243e-01 4.12 -6.089266043e-01 -6.089266043e-01 4.14 -5.880937391e-01 -5.880937391e-01 4.16 -5.675841248e-01 -5.675841248e-01 4.18 -5.473515163e-01 -5.473515163e-01 4.20 -5.273578450e-01 -5.273578450e-01 4.22 -5.075745467e-01 -5.075745467e-01 4.24 -4.879835619e-01 -4.879835619e-01 4.26 -4.685779544e-01 -4.685779544e-01 4.28 -4.493620932e-01 -4.493620932e-01 4.30 -4.303513632e-01 -4.303513632e-01 4.32 -4.115714105e-01 -4.115714105e-01 4.34 -3.930569670e-01 -3.930569670e-01 4.36 -3.748503401e-01 -3.748503401e-01 4.38 -3.569996638e-01 -3.569996638e-01 4.40 -3.395569966e-01 -3.395569966e-01 4.42 -3.225763207e-01 -3.225763207e-01 4.44 -3.061114612e-01 -3.061114612e-01 4.46 -2.902139263e-01 -2.902139263e-01 4.48 -2.749306876e-01 -2.749306876e-01 4.50 -2.603019608e-01 -2.603019608e-01 4.52 -2.463591138e-01 -2.463591138e-01 4.54 -2.331228782e-01 -2.331228782e-01 4.56 -2.206020576e-01 -2.206020576e-01 4.58 -2.087928979e-01 -2.087928979e-01 4.60 -1.976792164e-01 -1.976792164e-01 4.62 -1.872332780e-01 -1.872332780e-01 4.64 -1.774173188e-01 -1.774173188e-01 4.66 -1.681855502e-01 -1.681855502e-01 4.68 -1.594864568e-01 -1.594864568e-01 4.70 -1.512651823e-01 -1.512651823e-01 4.72 -1.434658107e-01 -1.434658107e-01 4.74 -1.360331972e-01 -1.360331972e-01 4.76 -1.289154721e-01 -1.289154721e-01 4.78 -1.220648617e-01 -1.220648617e-01 4.80 -1.154395286e-01 -1.154395286e-01 4.82 -1.090044142e-01 -1.090044142e-01 4.84 -1.027314110e-01 -1.027314110e-01 4.86 -9.659988395e-02 -9.659988395e-02 4.88 -9.059683720e-02 -9.059683720e-02 4.90 -8.471677697e-02 -8.471677697e-02 4.92 -7.896126605e-02 -7.896126605e-02 4.94 -7.333817781e-02 -7.333817781e-02 4.96 -6.786066967e-02 -6.786066967e-02 4.98 -6.254591803e-02 -6.254591803e-02 5.00 -5.741368089e-02 -5.741368089e-02 5.02 -5.248477724e-02 -5.248477724e-02 5.04 -4.777958665e-02 -4.777958665e-02 5.06 -4.331667517e-02 -4.331667517e-02 5.08 -3.911164210e-02 -3.911164210e-02 5.10 -3.517625829e-02 -3.517625829e-02 5.12 -3.151793429e-02 -3.151793429e-02 5.14 -2.813952160e-02 -2.813952160e-02 5.16 -2.503941864e-02 -2.503941864e-02 5.18 -2.221192617e-02 -2.221192617e-02 5.20 -1.964778712e-02 -1.964778712e-02 5.22 -1.733484001e-02 -1.733484001e-02 5.24 -1.525871666e-02 -1.525871666e-02 5.26 -1.340350246e-02 -1.340350246e-02 5.28 -1.175207647e-02 -1.175207647e-02 5.30 -1.028748600e-02 -1.028748600e-02 5.32 -8.992974056e-03 -8.992974056e-03 5.34 -7.852178694e-03 -7.852178694e-03 5.36 -6.849442272e-03 -6.849442272e-03 5.38 -5.970025044e-03 -5.970025044e-03 5.40 -5.200238212e-03 -5.200238212e-03 5.42 -4.527511945e-03 -4.527511945e-03 5.44 -3.940413000e-03 -3.940413000e-03 5.46 -3.428624931e-03 -3.428624931e-03 5.48 -2.982901896e-03 -2.982901896e-03 5.50 -2.595005051e-03 -2.595005051e-03 5.52 -2.257628575e-03 -2.257628575e-03 5.54 -1.964320746e-03 -1.964320746e-03 5.56 -1.709404012e-03 -1.709404012e-03 5.58 -1.487896853e-03 -1.487896853e-03 5.60 -1.295439340e-03 -1.295439340e-03 5.62 -1.128223538e-03 -1.128223538e-03 5.64 -9.829294108e-04 -9.829294108e-04 5.66 -8.566664747e-04 -8.566664747e-04 5.68 -7.469211922e-04 -7.469211922e-04 5.70 -6.515098950e-04 -6.515098950e-04 5.72 -5.685369280e-04 -5.685369280e-04 5.74 -4.963576240e-04 -4.963576240e-04 5.76 -4.335456940e-04 -4.335456940e-04 5.78 -3.788646103e-04 -3.788646103e-04 5.80 -3.312425669e-04 -3.312425669e-04 5.82 -2.897506249e-04 -2.897506249e-04 5.84 -2.535836769e-04 -2.535836769e-04 5.86 -2.220438952e-04 -2.220438952e-04 5.88 -1.945263586e-04 -1.945263586e-04 5.90 -1.705065862e-04 -1.705065862e-04 5.92 -1.495297345e-04 -1.495297345e-04 5.94 -1.312012426e-04 -1.312012426e-04 5.96 -1.151787353e-04 -1.151787353e-04 5.98 -1.011650192e-04 -1.011650192e-04 6.00 -8.890202421e-05 -8.890202421e-05