# 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 = Al2NiW # 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 1.507974636e+02 1.507974636e+02 1.30 1.395531539e+02 1.395531539e+02 1.32 1.291513131e+02 1.291513131e+02 1.34 1.195213590e+02 1.195213590e+02 1.36 1.105993914e+02 1.105993914e+02 1.38 1.023288847e+02 1.023288847e+02 1.40 9.465990182e+01 9.465990182e+01 1.42 8.754718314e+01 8.754718314e+01 1.44 8.094801282e+01 8.094801282e+01 1.46 7.482091473e+01 7.482091473e+01 1.48 6.912608056e+01 6.912608056e+01 1.50 6.382722359e+01 6.382722359e+01 1.52 5.889319262e+01 5.889319262e+01 1.54 5.429800615e+01 5.429800615e+01 1.56 5.001955959e+01 5.001955959e+01 1.58 4.603808083e+01 4.603808083e+01 1.60 4.233501200e+01 4.233501200e+01 1.62 3.889236783e+01 3.889236783e+01 1.64 3.569237380e+01 3.569237380e+01 1.66 3.271745904e+01 3.271745904e+01 1.68 2.995073061e+01 2.995073061e+01 1.70 2.737546932e+01 2.737546932e+01 1.72 2.497620722e+01 2.497620722e+01 1.74 2.273911796e+01 2.273911796e+01 1.76 2.065204187e+01 2.065204187e+01 1.78 1.870461942e+01 1.870461942e+01 1.80 1.689119834e+01 1.689119834e+01 1.82 1.520478745e+01 1.520478745e+01 1.84 1.363818435e+01 1.363818435e+01 1.86 1.218491767e+01 1.218491767e+01 1.88 1.083894388e+01 1.083894388e+01 1.90 9.594363472e+00 9.594363472e+00 1.92 8.445195687e+00 8.445195687e+00 1.94 7.385244980e+00 7.385244980e+00 1.96 6.408087543e+00 6.408087543e+00 1.98 5.507190057e+00 5.507190057e+00 2.00 4.676133676e+00 4.676133676e+00 2.02 3.908868623e+00 3.908868623e+00 2.04 3.199900839e+00 3.199900839e+00 2.06 2.544343129e+00 2.544343129e+00 2.08 1.937838458e+00 1.937838458e+00 2.10 1.376426447e+00 1.376426447e+00 2.12 8.564323255e-01 8.564323255e-01 2.14 3.744196971e-01 3.744196971e-01 2.16 -7.279655656e-02 -7.279655656e-02 2.18 -4.881073324e-01 -4.881073324e-01 2.20 -8.740697221e-01 -8.740697221e-01 2.22 -1.232892656e+00 -1.232892656e+00 2.24 -1.566450878e+00 -1.566450878e+00 2.26 -1.876237489e+00 -1.876237489e+00 2.28 -2.163640565e+00 -2.163640565e+00 2.30 -2.429905941e+00 -2.429905941e+00 2.32 -2.676098988e+00 -2.676098988e+00 2.34 -2.903152723e+00 -2.903152723e+00 2.36 -3.111903501e+00 -3.111903501e+00 2.38 -3.303115315e+00 -3.303115315e+00 2.40 -3.477496460e+00 -3.477496460e+00 2.42 -3.635622387e+00 -3.635622387e+00 2.44 -3.777919583e+00 -3.777919583e+00 2.46 -3.904856179e+00 -3.904856179e+00 2.48 -4.016966336e+00 -4.016966336e+00 2.50 -4.114858732e+00 -4.114858732e+00 2.52 -4.199225402e+00 -4.199225402e+00 2.54 -4.270850707e+00 -4.270850707e+00 2.56 -4.330618735e+00 -4.330618735e+00 2.58 -4.379513261e+00 -4.379513261e+00 2.60 -4.418601327e+00 -4.418601327e+00 2.62 -4.448992868e+00 -4.448992868e+00 2.64 -4.471777405e+00 -4.471777405e+00 2.66 -4.487957900e+00 -4.487957900e+00 2.68 -4.498392852e+00 -4.498392852e+00 2.70 -4.503765582e+00 -4.503765582e+00 2.72 -4.504585519e+00 -4.504585519e+00 2.74 -4.501213673e+00 -4.501213673e+00 2.76 -4.493834816e+00 -4.493834816e+00 2.78 -4.482432150e+00 -4.482432150e+00 2.80 -4.466963610e+00 -4.466963610e+00 2.82 -4.447395974e+00 -4.447395974e+00 2.84 -4.424259151e+00 -4.424259151e+00 2.86 -4.398427361e+00 -4.398427361e+00 2.88 -4.369483621e+00 -4.369483621e+00 2.90 -4.337077272e+00 -4.337077272e+00 2.92 -4.300961845e+00 -4.300961845e+00 2.94 -4.260992484e+00 -4.260992484e+00 2.96 -4.217124397e+00 -4.217124397e+00 2.98 -4.169410994e+00 -4.169410994e+00 3.00 -4.118001560e+00 -4.118001560e+00 3.02 -4.063155097e+00 -4.063155097e+00 3.04 -4.005220881e+00 -4.005220881e+00 3.06 -3.944596028e+00 -3.944596028e+00 3.08 -3.881699631e+00 -3.881699631e+00 3.10 -3.816944368e+00 -3.816944368e+00 3.12 -3.750708836e+00 -3.750708836e+00 3.14 -3.683315081e+00 -3.683315081e+00 3.16 -3.615014371e+00 -3.615014371e+00 3.18 -3.545982876e+00 -3.545982876e+00 3.20 -3.476326284e+00 -3.476326284e+00 3.22 -3.406091209e+00 -3.406091209e+00 3.24 -3.335280624e+00 -3.335280624e+00 3.26 -3.263870785e+00 -3.263870785e+00 3.28 -3.191827819e+00 -3.191827819e+00 3.30 -3.119122876e+00 -3.119122876e+00 3.32 -3.045745277e+00 -3.045745277e+00 3.34 -2.971713386e+00 -2.971713386e+00 3.36 -2.897082987e+00 -2.897082987e+00 3.38 -2.821952895e+00 -2.821952895e+00 3.40 -2.746467457e+00 -2.746467457e+00 3.42 -2.670815654e+00 -2.670815654e+00 3.44 -2.595226587e+00 -2.595226587e+00 3.46 -2.519961537e+00 -2.519961537e+00 3.48 -2.445303058e+00 -2.445303058e+00 3.50 -2.371542020e+00 -2.371542020e+00 3.52 -2.298963790e+00 -2.298963790e+00 3.54 -2.227834882e+00 -2.227834882e+00 3.56 -2.158391337e+00 -2.158391337e+00 3.58 -2.090829805e+00 -2.090829805e+00 3.60 -2.025301935e+00 -2.025301935e+00 3.62 -1.961912193e+00 -1.961912193e+00 3.64 -1.900718882e+00 -1.900718882e+00 3.66 -1.841737787e+00 -1.841737787e+00 3.68 -1.784947767e+00 -1.784947767e+00 3.70 -1.730297528e+00 -1.730297528e+00 3.72 -1.677712914e+00 -1.677712914e+00 3.74 -1.627104116e+00 -1.627104116e+00 3.76 -1.578372374e+00 -1.578372374e+00 3.78 -1.531415808e+00 -1.531415808e+00 3.80 -1.486134132e+00 -1.486134132e+00 3.82 -1.442432092e+00 -1.442432092e+00 3.84 -1.400221513e+00 -1.400221513e+00 3.86 -1.359421976e+00 -1.359421976e+00 3.88 -1.319960243e+00 -1.319960243e+00 3.90 -1.281768688e+00 -1.281768688e+00 3.92 -1.244783109e+00 -1.244783109e+00 3.94 -1.208940398e+00 -1.208940398e+00 3.96 -1.174176409e+00 -1.174176409e+00 3.98 -1.140424501e+00 -1.140424501e+00 4.00 -1.107614836e+00 -1.107614836e+00 4.02 -1.075674517e+00 -1.075674517e+00 4.04 -1.044528466e+00 -1.044528466e+00 4.06 -1.014100853e+00 -1.014100853e+00 4.08 -9.843168999e-01 -9.843168999e-01 4.10 -9.551048822e-01 -9.551048822e-01 4.12 -9.263983128e-01 -9.263983128e-01 4.14 -8.981379107e-01 -8.981379107e-01 4.16 -8.702737300e-01 -8.702737300e-01 4.18 -8.427670195e-01 -8.427670195e-01 4.20 -8.155918510e-01 -8.155918510e-01 4.22 -7.887363472e-01 -7.887363472e-01 4.24 -7.622033401e-01 -7.622033401e-01 4.26 -7.360102858e-01 -7.360102858e-01 4.28 -7.101883027e-01 -7.101883027e-01 4.30 -6.847802789e-01 -6.847802789e-01 4.32 -6.598381093e-01 -6.598381093e-01 4.34 -6.354192524e-01 -6.354192524e-01 4.36 -6.115829057e-01 -6.115829057e-01 4.38 -5.883861593e-01 -5.883861593e-01 4.40 -5.658804829e-01 -5.658804829e-01 4.42 -5.441088252e-01 -5.441088252e-01 4.44 -5.231034914e-01 -5.231034914e-01 4.46 -5.028848312e-01 -5.028848312e-01 4.48 -4.834606697e-01 -4.834606697e-01 4.50 -4.648263470e-01 -4.648263470e-01 4.52 -4.469652241e-01 -4.469652241e-01 4.54 -4.298495334e-01 -4.298495334e-01 4.56 -4.134414862e-01 -4.134414862e-01 4.58 -3.976945824e-01 -3.976945824e-01 4.60 -3.825551096e-01 -3.825551096e-01 4.62 -3.679637515e-01 -3.679637515e-01 4.64 -3.538573010e-01 -3.538573010e-01 4.66 -3.401704168e-01 -3.401704168e-01 4.68 -3.268374362e-01 -3.268374362e-01 4.70 -3.137941272e-01 -3.137941272e-01 4.72 -3.009790866e-01 -3.009790866e-01 4.74 -2.883356432e-01 -2.883356432e-01 4.76 -2.758141961e-01 -2.758141961e-01 4.78 -2.633726037e-01 -2.633726037e-01 4.80 -2.509776041e-01 -2.509776041e-01 4.82 -2.386061441e-01 -2.386061441e-01 4.84 -2.262463589e-01 -2.262463589e-01 4.86 -2.138983799e-01 -2.138983799e-01 4.88 -2.015746974e-01 -2.015746974e-01 4.90 -1.893000623e-01 -1.893000623e-01 4.92 -1.771108283e-01 -1.771108283e-01 4.94 -1.650536801e-01 -1.650536801e-01 4.96 -1.531837425e-01 -1.531837425e-01 4.98 -1.415621301e-01 -1.415621301e-01 5.00 -1.302530664e-01 -1.302530664e-01 5.02 -1.193207631e-01 -1.193207631e-01 5.04 -1.088262916e-01 -1.088262916e-01 5.06 -9.882469327e-02 -9.882469327e-02 5.08 -8.936255082e-02 -8.936255082e-02 5.10 -8.047619127e-02 -8.047619127e-02 5.12 -7.219061892e-02 -7.219061892e-02 5.14 -6.451919354e-02 -6.451919354e-02 5.16 -5.746399478e-02 -5.746399478e-02 5.18 -5.101675535e-02 -5.101675535e-02 5.20 -4.516021030e-02 -4.516021030e-02 5.22 -3.986969939e-02 -3.986969939e-02 5.24 -3.511486872e-02 -3.511486872e-02 5.26 -3.086134247e-02 -3.086134247e-02 5.28 -2.707226780e-02 -2.707226780e-02 5.30 -2.370966557e-02 -2.370966557e-02 5.32 -2.073556028e-02 -2.073556028e-02 5.34 -1.811287580e-02 -1.811287580e-02 5.36 -1.580610378e-02 -1.580610378e-02 5.38 -1.378143372e-02 -1.378143372e-02 5.40 -1.200781197e-02 -1.200781197e-02 5.42 -1.045688186e-02 -1.045688186e-02 5.44 -9.102703347e-03 -9.102703347e-03 5.46 -7.921771184e-03 -7.921771184e-03 5.48 -6.892952853e-03 -6.892952853e-03 5.50 -5.997372691e-03 -5.997372691e-03 5.52 -5.218262491e-03 -5.218262491e-03 5.54 -4.540793977e-03 -4.540793977e-03 5.56 -3.951904335e-03 -3.951904335e-03 5.58 -3.440122729e-03 -3.440122729e-03 5.60 -2.995403147e-03 -2.995403147e-03 5.62 -2.608966957e-03 -2.608966957e-03 5.64 -2.273157152e-03 -2.273157152e-03 5.66 -1.981305169e-03 -1.981305169e-03 5.68 -1.727610480e-03 -1.727610480e-03 5.70 -1.507032637e-03 -1.507032637e-03 5.72 -1.315195138e-03 -1.315195138e-03 5.74 -1.148300293e-03 -1.148300293e-03 5.76 -1.003054181e-03 -1.003054181e-03 5.78 -8.766007426e-04 -8.766007426e-04 5.80 -7.664640926e-04 -7.664640926e-04 5.82 -6.704981373e-04 -6.704981373e-04 5.84 -5.868426817e-04 -5.868426817e-04 5.86 -5.138852496e-04 -5.138852496e-04 5.88 -4.502279231e-04 -4.502279231e-04 5.90 -3.946585743e-04 -3.946585743e-04 5.92 -3.461259312e-04 -3.461259312e-04 5.94 -3.037179830e-04 -3.037179830e-04 5.96 -2.666432866e-04 -2.666432866e-04 5.98 -2.342147931e-04 -2.342147931e-04 6.00 -2.058358577e-04 -2.058358577e-04