# 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 = CuNi2Zr # 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 1.504920953e+02 1.504920953e+02 1.30 1.384350740e+02 1.384350740e+02 1.32 1.273167831e+02 1.273167831e+02 1.34 1.170562455e+02 1.170562455e+02 1.36 1.075811488e+02 1.075811488e+02 1.38 9.882858803e+01 9.882858803e+01 1.40 9.074361336e+01 9.074361336e+01 1.42 8.327677104e+01 8.327677104e+01 1.44 7.638194269e+01 7.638194269e+01 1.46 7.001516940e+01 7.001516940e+01 1.48 6.413446261e+01 6.413446261e+01 1.50 5.870010519e+01 5.870010519e+01 1.52 5.367517319e+01 5.367517319e+01 1.54 4.902598634e+01 4.902598634e+01 1.56 4.472224971e+01 4.472224971e+01 1.58 4.073687575e+01 4.073687575e+01 1.60 3.704570535e+01 3.704570535e+01 1.62 3.362727284e+01 3.362727284e+01 1.64 3.046252676e+01 3.046252676e+01 1.66 2.753434697e+01 2.753434697e+01 1.68 2.482691677e+01 2.482691677e+01 1.70 2.232522738e+01 2.232522738e+01 1.72 2.001498790e+01 2.001498790e+01 1.74 1.788246417e+01 1.788246417e+01 1.76 1.591382501e+01 1.591382501e+01 1.78 1.409594515e+01 1.409594515e+01 1.80 1.241673327e+01 1.241673327e+01 1.82 1.086544826e+01 1.086544826e+01 1.84 9.432582251e+00 9.432582251e+00 1.86 8.109676223e+00 8.109676223e+00 1.88 6.889085089e+00 6.889085089e+00 1.90 5.763778867e+00 5.763778867e+00 1.92 4.727185620e+00 4.727185620e+00 1.94 3.773098066e+00 3.773098066e+00 1.96 2.895630908e+00 2.895630908e+00 1.98 2.089265160e+00 2.089265160e+00 2.00 1.348907686e+00 1.348907686e+00 2.02 6.699059189e-01 6.699059189e-01 2.04 4.800941932e-02 4.800941932e-02 2.06 -5.207012055e-01 -5.207012055e-01 2.08 -1.039891767e+00 -1.039891767e+00 2.10 -1.513018564e+00 -1.513018564e+00 2.12 -1.943339993e+00 -1.943339993e+00 2.14 -2.333906508e+00 -2.333906508e+00 2.16 -2.687539562e+00 -2.687539562e+00 2.18 -3.006842575e+00 -3.006842575e+00 2.20 -3.294236669e+00 -3.294236669e+00 2.22 -3.552027066e+00 -3.552027066e+00 2.24 -3.782453097e+00 -3.782453097e+00 2.26 -3.987707933e+00 -3.987707933e+00 2.28 -4.169943268e+00 -4.169943268e+00 2.30 -4.331230427e+00 -4.331230427e+00 2.32 -4.473564406e+00 -4.473564406e+00 2.34 -4.598815810e+00 -4.598815810e+00 2.36 -4.708712301e+00 -4.708712301e+00 2.38 -4.804796080e+00 -4.804796080e+00 2.40 -4.888396787e+00 -4.888396787e+00 2.42 -4.960675290e+00 -4.960675290e+00 2.44 -5.022599447e+00 -5.022599447e+00 2.46 -5.074892105e+00 -5.074892105e+00 2.48 -5.118212301e+00 -5.118212301e+00 2.50 -5.153178756e+00 -5.153178756e+00 2.52 -5.180374795e+00 -5.180374795e+00 2.54 -5.200344830e+00 -5.200344830e+00 2.56 -5.213585939e+00 -5.213585939e+00 2.58 -5.220448606e+00 -5.220448606e+00 2.60 -5.221160082e+00 -5.221160082e+00 2.62 -5.215961622e+00 -5.215961622e+00 2.64 -5.205131810e+00 -5.205131810e+00 2.66 -5.188982395e+00 -5.188982395e+00 2.68 -5.167874972e+00 -5.167874972e+00 2.70 -5.142214809e+00 -5.142214809e+00 2.72 -5.112447078e+00 -5.112447078e+00 2.74 -5.079038906e+00 -5.079038906e+00 2.76 -5.042452914e+00 -5.042452914e+00 2.78 -5.003241307e+00 -5.003241307e+00 2.80 -4.961842849e+00 -4.961842849e+00 2.82 -4.918348018e+00 -4.918348018e+00 2.84 -4.872809361e+00 -4.872809361e+00 2.86 -4.825124028e+00 -4.825124028e+00 2.88 -4.775126804e+00 -4.775126804e+00 2.90 -4.722702077e+00 -4.722702077e+00 2.92 -4.667788430e+00 -4.667788430e+00 2.94 -4.610378892e+00 -4.610378892e+00 2.96 -4.550530496e+00 -4.550530496e+00 2.98 -4.488354150e+00 -4.488354150e+00 3.00 -4.423991682e+00 -4.423991682e+00 3.02 -4.357607139e+00 -4.357607139e+00 3.04 -4.289377086e+00 -4.289377086e+00 3.06 -4.219493449e+00 -4.219493449e+00 3.08 -4.148144033e+00 -4.148144033e+00 3.10 -4.075519816e+00 -4.075519816e+00 3.12 -4.001808026e+00 -4.001808026e+00 3.14 -3.927199853e+00 -3.927199853e+00 3.16 -3.851875335e+00 -3.851875335e+00 3.18 -3.776012656e+00 -3.776012656e+00 3.20 -3.699784704e+00 -3.699784704e+00 3.22 -3.623358843e+00 -3.623358843e+00 3.24 -3.546897406e+00 -3.546897406e+00 3.26 -3.470558733e+00 -3.470558733e+00 3.28 -3.394498024e+00 -3.394498024e+00 3.30 -3.318866923e+00 -3.318866923e+00 3.32 -3.243810983e+00 -3.243810983e+00 3.34 -3.169464983e+00 -3.169464983e+00 3.36 -3.095946992e+00 -3.095946992e+00 3.38 -3.023352787e+00 -3.023352787e+00 3.40 -2.951751000e+00 -2.951751000e+00 3.42 -2.881186884e+00 -2.881186884e+00 3.44 -2.811676446e+00 -2.811676446e+00 3.46 -2.743215505e+00 -2.743215505e+00 3.48 -2.675782904e+00 -2.675782904e+00 3.50 -2.609345307e+00 -2.609345307e+00 3.52 -2.543861569e+00 -2.543861569e+00 3.54 -2.479286452e+00 -2.479286452e+00 3.56 -2.415573617e+00 -2.415573617e+00 3.58 -2.352677989e+00 -2.352677989e+00 3.60 -2.290557594e+00 -2.290557594e+00 3.62 -2.229174981e+00 -2.229174981e+00 3.64 -2.168498407e+00 -2.168498407e+00 3.66 -2.108502924e+00 -2.108502924e+00 3.68 -2.049171566e+00 -2.049171566e+00 3.70 -1.990496788e+00 -1.990496788e+00 3.72 -1.932482247e+00 -1.932482247e+00 3.74 -1.875144880e+00 -1.875144880e+00 3.76 -1.818517099e+00 -1.818517099e+00 3.78 -1.762648694e+00 -1.762648694e+00 3.80 -1.707607898e+00 -1.707607898e+00 3.82 -1.653480998e+00 -1.653480998e+00 3.84 -1.600369926e+00 -1.600369926e+00 3.86 -1.548387539e+00 -1.548387539e+00 3.88 -1.497650716e+00 -1.497650716e+00 3.90 -1.448271916e+00 -1.448271916e+00 3.92 -1.400348941e+00 -1.400348941e+00 3.94 -1.353962561e+00 -1.353962561e+00 3.96 -1.309161624e+00 -1.309161624e+00 3.98 -1.265966277e+00 -1.265966277e+00 4.00 -1.224366259e+00 -1.224366259e+00 4.02 -1.184323564e+00 -1.184323564e+00 4.04 -1.145777019e+00 -1.145777019e+00 4.06 -1.108647851e+00 -1.108647851e+00 4.08 -1.072845381e+00 -1.072845381e+00 4.10 -1.038268163e+00 -1.038268163e+00 4.12 -1.004825498e+00 -1.004825498e+00 4.14 -9.724138084e-01 -9.724138084e-01 4.16 -9.409382256e-01 -9.409382256e-01 4.18 -9.103093240e-01 -9.103093240e-01 4.20 -8.804444142e-01 -8.804444142e-01 4.22 -8.512685217e-01 -8.512685217e-01 4.24 -8.227152271e-01 -8.227152271e-01 4.26 -7.947274926e-01 -7.947274926e-01 4.28 -7.672585398e-01 -7.672585398e-01 4.30 -7.402727856e-01 -7.402727856e-01 4.32 -7.137467797e-01 -7.137467797e-01 4.34 -6.876700306e-01 -6.876700306e-01 4.36 -6.620455597e-01 -6.620455597e-01 4.38 -6.368899971e-01 -6.368899971e-01 4.40 -6.122330293e-01 -6.122330293e-01 4.42 -5.881160531e-01 -5.881160531e-01 4.44 -5.645899609e-01 -5.645899609e-01 4.46 -5.417120997e-01 -5.417120997e-01 4.48 -5.195425717e-01 -5.195425717e-01 4.50 -4.981401698e-01 -4.981401698e-01 4.52 -4.775583235e-01 -4.775583235e-01 4.54 -4.578414643e-01 -4.578414643e-01 4.56 -4.390221679e-01 -4.390221679e-01 4.58 -4.211193312e-01 -4.211193312e-01 4.60 -4.041374910e-01 -4.041374910e-01 4.62 -3.880672390e-01 -3.880672390e-01 4.64 -3.728865564e-01 -3.728865564e-01 4.66 -3.585628089e-01 -3.585628089e-01 4.68 -3.450551110e-01 -3.450551110e-01 4.70 -3.323167903e-01 -3.323167903e-01 4.72 -3.202977194e-01 -3.202977194e-01 4.74 -3.089461288e-01 -3.089461288e-01 4.76 -2.982109231e-01 -2.982109231e-01 4.78 -2.880427138e-01 -2.880427138e-01 4.80 -2.783913740e-01 -2.783913740e-01 4.82 -2.692199365e-01 -2.692199365e-01 4.84 -2.604841600e-01 -2.604841600e-01 4.86 -2.521471916e-01 -2.521471916e-01 4.88 -2.441756875e-01 -2.441756875e-01 4.90 -2.365396529e-01 -2.365396529e-01 4.92 -2.292122084e-01 -2.292122084e-01 4.94 -2.221693170e-01 -2.221693170e-01 4.96 -2.153894950e-01 -2.153894950e-01 4.98 -2.088535244e-01 -2.088535244e-01 5.00 -2.025441780e-01 -2.025441780e-01 5.02 -1.964459647e-01 -1.964459647e-01 5.04 -1.905448990e-01 -1.905448990e-01 5.06 -1.848282960e-01 -1.848282960e-01 5.08 -1.792845944e-01 -1.792845944e-01 5.10 -1.739032051e-01 -1.739032051e-01 5.12 -1.686743865e-01 -1.686743865e-01 5.14 -1.635891455e-01 -1.635891455e-01 5.16 -1.586391618e-01 -1.586391618e-01 5.18 -1.538167384e-01 -1.538167384e-01 5.20 -1.491147728e-01 -1.491147728e-01 5.22 -1.445267521e-01 -1.445267521e-01 5.24 -1.400467679e-01 -1.400467679e-01 5.26 -1.356695495e-01 -1.356695495e-01 5.28 -1.313905124e-01 -1.313905124e-01 5.30 -1.272058160e-01 -1.272058160e-01 5.32 -1.231124259e-01 -1.231124259e-01 5.34 -1.191081696e-01 -1.191081696e-01 5.36 -1.151917779e-01 -1.151917779e-01 5.38 -1.113629002e-01 -1.113629002e-01 5.40 -1.076220827e-01 -1.076220827e-01 5.42 -1.039707010e-01 -1.039707010e-01 5.44 -1.004108414e-01 -1.004108414e-01 5.46 -9.694513156e-02 -9.694513156e-02 5.48 -9.357652434e-02 -9.357652434e-02 5.50 -9.030805041e-02 -9.030805041e-02 5.52 -8.714255589e-02 -8.714255589e-02 5.54 -8.408244726e-02 -8.408244726e-02 5.56 -8.112946511e-02 -8.112946511e-02 5.58 -7.828450592e-02 -7.828450592e-02 5.60 -7.554742386e-02 -7.554742386e-02 5.62 -7.291709967e-02 -7.291709967e-02 5.64 -7.039153869e-02 -7.039153869e-02 5.66 -6.796779229e-02 -6.796779229e-02 5.68 -6.564207659e-02 -6.564207659e-02 5.70 -6.340991941e-02 -6.340991941e-02 5.72 -6.126631881e-02 -6.126631881e-02 5.74 -5.920590007e-02 -5.920590007e-02 5.76 -5.722306071e-02 -5.722306071e-02 5.78 -5.531209694e-02 -5.531209694e-02 5.80 -5.346730826e-02 -5.346730826e-02 5.82 -5.168307977e-02 -5.168307977e-02 5.84 -4.995394365e-02 -4.995394365e-02 5.86 -4.827462284e-02 -4.827462284e-02 5.88 -4.664006045e-02 -4.664006045e-02 5.90 -4.504543896e-02 -4.504543896e-02 5.92 -4.348619280e-02 -4.348619280e-02 5.94 -4.195801806e-02 -4.195801806e-02 5.96 -4.045688215e-02 -4.045688215e-02 5.98 -3.897903627e-02 -3.897903627e-02 6.00 -3.752103253e-02 -3.752103253e-02