# 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 = AlCoNi2 # 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 1.010392513e+02 1.010392513e+02 1.30 9.283379928e+01 9.283379928e+01 1.32 8.526728364e+01 8.526728364e+01 1.34 7.828403757e+01 7.828403757e+01 1.36 7.183535300e+01 7.183535300e+01 1.38 6.587984961e+01 6.587984961e+01 1.40 6.038162933e+01 6.038162933e+01 1.42 5.530783389e+01 5.530783389e+01 1.44 5.062664962e+01 5.062664962e+01 1.46 4.630639455e+01 4.630639455e+01 1.48 4.231612693e+01 4.231612693e+01 1.50 3.862722981e+01 3.862722981e+01 1.52 3.521462125e+01 3.521462125e+01 1.54 3.205679397e+01 3.205679397e+01 1.56 2.913497355e+01 2.913497355e+01 1.58 2.643210542e+01 2.643210542e+01 1.60 2.393229590e+01 2.393229590e+01 1.62 2.162112225e+01 2.162112225e+01 1.64 1.948569559e+01 1.948569559e+01 1.66 1.751362498e+01 1.751362498e+01 1.68 1.569219792e+01 1.569219792e+01 1.70 1.400964232e+01 1.400964232e+01 1.72 1.245514768e+01 1.245514768e+01 1.74 1.101877533e+01 1.101877533e+01 1.76 9.691352678e+00 9.691352678e+00 1.78 8.464499126e+00 8.464499126e+00 1.80 7.330764798e+00 7.330764798e+00 1.82 6.283723389e+00 6.283723389e+00 1.84 5.317893166e+00 5.317893166e+00 1.86 4.428482924e+00 4.428482924e+00 1.88 3.611050236e+00 3.611050236e+00 1.90 2.861181974e+00 2.861181974e+00 1.92 2.174284365e+00 2.174284365e+00 1.94 1.545531592e+00 1.545531592e+00 1.96 9.699768667e-01 9.699768667e-01 1.98 4.427795183e-01 4.427795183e-01 2.00 -4.053780954e-02 -4.053780954e-02 2.02 -4.838935267e-01 -4.838935267e-01 2.04 -8.905726710e-01 -8.905726710e-01 2.06 -1.263278324e+00 -1.263278324e+00 2.08 -1.604263924e+00 -1.604263924e+00 2.10 -1.915484120e+00 -1.915484120e+00 2.12 -2.198718454e+00 -2.198718454e+00 2.14 -2.455651133e+00 -2.455651133e+00 2.16 -2.687911199e+00 -2.687911199e+00 2.18 -2.897085935e+00 -2.897085935e+00 2.20 -3.084720552e+00 -3.084720552e+00 2.22 -3.252313468e+00 -3.252313468e+00 2.24 -3.401311208e+00 -3.401311208e+00 2.26 -3.533103549e+00 -3.533103549e+00 2.28 -3.649019835e+00 -3.649019835e+00 2.30 -3.750328179e+00 -3.750328179e+00 2.32 -3.838236592e+00 -3.838236592e+00 2.34 -3.913889438e+00 -3.913889438e+00 2.36 -3.978352384e+00 -3.978352384e+00 2.38 -4.032586998e+00 -4.032586998e+00 2.40 -4.077427699e+00 -4.077427699e+00 2.42 -4.113612044e+00 -4.113612044e+00 2.44 -4.141719492e+00 -4.141719492e+00 2.46 -4.162206951e+00 -4.162206951e+00 2.48 -4.175511982e+00 -4.175511982e+00 2.50 -4.182084099e+00 -4.182084099e+00 2.52 -4.182404354e+00 -4.182404354e+00 2.54 -4.176994094e+00 -4.176994094e+00 2.56 -4.166799986e+00 -4.166799986e+00 2.58 -4.152555351e+00 -4.152555351e+00 2.60 -4.134135512e+00 -4.134135512e+00 2.62 -4.111556329e+00 -4.111556329e+00 2.64 -4.084947198e+00 -4.084947198e+00 2.66 -4.054504718e+00 -4.054504718e+00 2.68 -4.020457042e+00 -4.020457042e+00 2.70 -3.983043529e+00 -3.983043529e+00 2.72 -3.942512115e+00 -3.942512115e+00 2.74 -3.899128095e+00 -3.899128095e+00 2.76 -3.853158339e+00 -3.853158339e+00 2.78 -3.804861415e+00 -3.804861415e+00 2.80 -3.754476259e+00 -3.754476259e+00 2.82 -3.702210249e+00 -3.702210249e+00 2.84 -3.648231688e+00 -3.648231688e+00 2.86 -3.592669350e+00 -3.592669350e+00 2.88 -3.535618853e+00 -3.535618853e+00 2.90 -3.477153731e+00 -3.477153731e+00 2.92 -3.417338723e+00 -3.417338723e+00 2.94 -3.356243410e+00 -3.356243410e+00 2.96 -3.293955047e+00 -3.293955047e+00 2.98 -3.230589668e+00 -3.230589668e+00 3.00 -3.166300209e+00 -3.166300209e+00 3.02 -3.101279987e+00 -3.101279987e+00 3.04 -3.035759858e+00 -3.035759858e+00 3.06 -2.969998343e+00 -2.969998343e+00 3.08 -2.904265617e+00 -2.904265617e+00 3.10 -2.838824424e+00 -2.838824424e+00 3.12 -2.773911833e+00 -2.773911833e+00 3.14 -2.709725684e+00 -2.709725684e+00 3.16 -2.646417747e+00 -2.646417747e+00 3.18 -2.584093857e+00 -2.584093857e+00 3.20 -2.522819337e+00 -2.522819337e+00 3.22 -2.462627434e+00 -2.462627434e+00 3.24 -2.403528514e+00 -2.403528514e+00 3.26 -2.345518388e+00 -2.345518388e+00 3.28 -2.288584893e+00 -2.288584893e+00 3.30 -2.232712476e+00 -2.232712476e+00 3.32 -2.177884955e+00 -2.177884955e+00 3.34 -2.124086821e+00 -2.124086821e+00 3.36 -2.071303521e+00 -2.071303521e+00 3.38 -2.019521107e+00 -2.019521107e+00 3.40 -1.968725570e+00 -1.968725570e+00 3.42 -1.918902099e+00 -1.918902099e+00 3.44 -1.870034408e+00 -1.870034408e+00 3.46 -1.822104253e+00 -1.822104253e+00 3.48 -1.775091180e+00 -1.775091180e+00 3.50 -1.728972519e+00 -1.728972519e+00 3.52 -1.683723631e+00 -1.683723631e+00 3.54 -1.639318336e+00 -1.639318336e+00 3.56 -1.595729492e+00 -1.595729492e+00 3.58 -1.552929634e+00 -1.552929634e+00 3.60 -1.510891623e+00 -1.510891623e+00 3.62 -1.469589254e+00 -1.469589254e+00 3.64 -1.428997815e+00 -1.428997815e+00 3.66 -1.389094624e+00 -1.389094624e+00 3.68 -1.349859601e+00 -1.349859601e+00 3.70 -1.311275924e+00 -1.311275924e+00 3.72 -1.273330819e+00 -1.273330819e+00 3.74 -1.236016481e+00 -1.236016481e+00 3.76 -1.199331057e+00 -1.199331057e+00 3.78 -1.163279552e+00 -1.163279552e+00 3.80 -1.127874428e+00 -1.127874428e+00 3.82 -1.093135659e+00 -1.093135659e+00 3.84 -1.059089987e+00 -1.059089987e+00 3.86 -1.025769237e+00 -1.025769237e+00 3.88 -9.932076709e-01 -9.932076709e-01 3.90 -9.614386187e-01 -9.614386187e-01 3.92 -9.304907410e-01 -9.304907410e-01 3.94 -9.003844838e-01 -9.003844838e-01 3.96 -8.711291838e-01 -8.711291838e-01 3.98 -8.427212940e-01 -8.427212940e-01 4.00 -8.151438694e-01 -8.151438694e-01 4.02 -7.883672963e-01 -7.883672963e-01 4.04 -7.623510408e-01 -7.623510408e-01 4.06 -7.370460891e-01 -7.370460891e-01 4.08 -7.123977475e-01 -7.123977475e-01 4.10 -6.883485088e-01 -6.883485088e-01 4.12 -6.648408509e-01 -6.648408509e-01 4.14 -6.418197060e-01 -6.418197060e-01 4.16 -6.192347542e-01 -6.192347542e-01 4.18 -5.970423569e-01 -5.970423569e-01 4.20 -5.752071716e-01 -5.752071716e-01 4.22 -5.537033906e-01 -5.537033906e-01 4.24 -5.325155425e-01 -5.325155425e-01 4.26 -5.116387903e-01 -5.116387903e-01 4.28 -4.910786800e-01 -4.910786800e-01 4.30 -4.708503446e-01 -4.708503446e-01 4.32 -4.509772284e-01 -4.509772284e-01 4.34 -4.314894640e-01 -4.314894640e-01 4.36 -4.124220647e-01 -4.124220647e-01 4.38 -3.938130966e-01 -3.938130966e-01 4.40 -3.757019436e-01 -3.757019436e-01 4.42 -3.581277090e-01 -3.581277090e-01 4.44 -3.411277272e-01 -3.411277272e-01 4.46 -3.247361192e-01 -3.247361192e-01 4.48 -3.089823345e-01 -3.089823345e-01 4.50 -2.938896696e-01 -2.938896696e-01 4.52 -2.794738299e-01 -2.794738299e-01 4.54 -2.657416653e-01 -2.657416653e-01 4.56 -2.526902461e-01 -2.526902461e-01 4.58 -2.403064298e-01 -2.403064298e-01 4.60 -2.285670185e-01 -2.285670185e-01 4.62 -2.174395286e-01 -2.174395286e-01 4.64 -2.068834900e-01 -2.068834900e-01 4.66 -1.968521642e-01 -1.968521642e-01 4.68 -1.872945198e-01 -1.872945198e-01 4.70 -1.781573261e-01 -1.781573261e-01 4.72 -1.693871971e-01 -1.693871971e-01 4.74 -1.609322816e-01 -1.609322816e-01 4.76 -1.527444098e-01 -1.527444098e-01 4.78 -1.447804919e-01 -1.447804919e-01 4.80 -1.370037232e-01 -1.370037232e-01 4.82 -1.293846139e-01 -1.293846139e-01 4.84 -1.219015420e-01 -1.219015420e-01 4.86 -1.145413071e-01 -1.145413071e-01 4.88 -1.072993039e-01 -1.072993039e-01 4.90 -1.001793246e-01 -1.001793246e-01 4.92 -9.319296122e-02 -9.319296122e-02 4.94 -8.635860128e-02 -8.635860128e-02 4.96 -7.970004583e-02 -7.970004583e-02 4.98 -7.324481584e-02 -7.324481584e-02 5.00 -6.702225564e-02 -6.702225564e-02 5.02 -6.106157323e-02 -6.106157323e-02 5.04 -5.538997134e-02 -5.538997134e-02 5.06 -5.003101638e-02 -5.003101638e-02 5.08 -4.500336384e-02 -4.500336384e-02 5.10 -4.031991467e-02 -4.031991467e-02 5.12 -3.598742586e-02 -3.598742586e-02 5.14 -3.200654968e-02 -3.200654968e-02 5.16 -2.837223700e-02 -2.837223700e-02 5.18 -2.507441587e-02 -2.507441587e-02 5.20 -2.209884538e-02 -2.209884538e-02 5.22 -1.942805142e-02 -1.942805142e-02 5.24 -1.704226646e-02 -1.704226646e-02 5.26 -1.492030700e-02 -1.492030700e-02 5.28 -1.304028121e-02 -1.304028121e-02 5.30 -1.138002498e-02 -1.138002498e-02 5.32 -9.918485356e-03 -9.918485356e-03 5.34 -8.635496153e-03 -8.635496153e-03 5.36 -7.511976600e-03 -7.511976600e-03 5.38 -6.530147317e-03 -6.530147317e-03 5.40 -5.673649106e-03 -5.673649106e-03 5.42 -4.927586377e-03 -4.927586377e-03 5.44 -4.278514539e-03 -4.278514539e-03 5.46 -3.714387698e-03 -3.714387698e-03 5.48 -3.224479907e-03 -3.224479907e-03 5.50 -2.799290431e-03 -2.799290431e-03 5.52 -2.430440923e-03 -2.430440923e-03 5.54 -2.110570343e-03 -2.110570343e-03 5.56 -1.833231716e-03 -1.833231716e-03 5.58 -1.592793497e-03 -1.592793497e-03 5.60 -1.384347257e-03 -1.384347257e-03 5.62 -1.203622654e-03 -1.203622654e-03 5.64 -1.046910082e-03 -1.046910082e-03 5.66 -9.109909991e-04 -9.109909991e-04 5.68 -7.930756841e-04 -7.930756841e-04 5.70 -6.907479842e-04 -6.907479842e-04 5.72 -6.019165433e-04 -6.019165433e-04 5.74 -5.247719382e-04 -5.247719382e-04 5.76 -4.577491469e-04 -4.577491469e-04 5.78 -3.994947880e-04 -3.994947880e-04 5.80 -3.488385962e-04 -3.488385962e-04 5.82 -3.047686385e-04 -3.047686385e-04 5.84 -2.664098183e-04 -2.664098183e-04 5.86 -2.330052560e-04 -2.330052560e-04 5.88 -2.039001813e-04 -2.039001813e-04 5.90 -1.785280093e-04 -1.785280093e-04 5.92 -1.563983140e-04 -1.563983140e-04 5.94 -1.370864454e-04 -1.370864454e-04 5.96 -1.202245696e-04 -1.202245696e-04 5.98 -1.054939382e-04 -1.054939382e-04 6.00 -9.261822050e-05 -9.261822050e-05