# 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 = Au2PtTi # 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 3.859717309e+02 3.859717309e+02 1.30 3.595495319e+02 3.595495319e+02 1.32 3.349617729e+02 3.349617729e+02 1.34 3.120696889e+02 3.120696889e+02 1.36 2.907471680e+02 2.907471680e+02 1.38 2.708752252e+02 2.708752252e+02 1.40 2.523417045e+02 2.523417045e+02 1.42 2.350440374e+02 2.350440374e+02 1.44 2.188909500e+02 2.188909500e+02 1.46 2.038014467e+02 2.038014467e+02 1.48 1.897022485e+02 1.897022485e+02 1.50 1.765253912e+02 1.765253912e+02 1.52 1.642066006e+02 1.642066006e+02 1.54 1.526843318e+02 1.526843318e+02 1.56 1.418994436e+02 1.418994436e+02 1.58 1.317956703e+02 1.317956703e+02 1.60 1.223207588e+02 1.223207588e+02 1.62 1.134276230e+02 1.134276230e+02 1.64 1.050748349e+02 1.050748349e+02 1.66 9.722631869e+01 9.722631869e+01 1.68 8.985061739e+01 8.985061739e+01 1.70 8.292002330e+01 8.292002330e+01 1.72 7.640953874e+01 7.640953874e+01 1.74 7.029563176e+01 7.029563176e+01 1.76 6.455507662e+01 6.455507662e+01 1.78 5.916432011e+01 5.916432011e+01 1.80 5.410009922e+01 5.410009922e+01 1.82 4.935687052e+01 4.935687052e+01 1.84 4.495933784e+01 4.495933784e+01 1.86 4.089864889e+01 4.089864889e+01 1.88 3.714691109e+01 3.714691109e+01 1.90 3.367964431e+01 3.367964431e+01 1.92 3.047548541e+01 3.047548541e+01 1.94 2.751570099e+01 2.751570099e+01 1.96 2.478351173e+01 2.478351173e+01 1.98 2.226338066e+01 2.226338066e+01 2.00 1.994049127e+01 1.994049127e+01 2.02 1.780053672e+01 1.780053672e+01 2.04 1.582976993e+01 1.582976993e+01 2.06 1.401517183e+01 1.401517183e+01 2.08 1.234460971e+01 1.234460971e+01 2.10 1.080691601e+01 1.080691601e+01 2.12 9.391875140e+00 9.391875140e+00 2.14 8.090146421e+00 8.090146421e+00 2.16 6.893167371e+00 6.893167371e+00 2.18 5.793071586e+00 5.793071586e+00 2.20 4.782630415e+00 4.782630415e+00 2.22 3.855208372e+00 3.855208372e+00 2.24 3.004719237e+00 3.004719237e+00 2.26 2.225576430e+00 2.225576430e+00 2.28 1.512640158e+00 1.512640158e+00 2.30 8.611670997e-01 8.611670997e-01 2.32 2.667664597e-01 2.667664597e-01 2.34 -2.746388491e-01 -2.746388491e-01 2.36 -7.668465790e-01 -7.668465790e-01 2.38 -1.213404503e+00 -1.213404503e+00 2.40 -1.617632385e+00 -1.617632385e+00 2.42 -1.982635647e+00 -1.982635647e+00 2.44 -2.311312225e+00 -2.311312225e+00 2.46 -2.606357453e+00 -2.606357453e+00 2.48 -2.870273149e+00 -2.870273149e+00 2.50 -3.105386122e+00 -3.105386122e+00 2.52 -3.313876460e+00 -3.313876460e+00 2.54 -3.497809876e+00 -3.497809876e+00 2.56 -3.659321318e+00 -3.659321318e+00 2.58 -3.801575250e+00 -3.801575250e+00 2.60 -3.926301966e+00 -3.926301966e+00 2.62 -4.034827540e+00 -4.034827540e+00 2.64 -4.128415261e+00 -4.128415261e+00 2.66 -4.208235828e+00 -4.208235828e+00 2.68 -4.275351773e+00 -4.275351773e+00 2.70 -4.330753380e+00 -4.330753380e+00 2.72 -4.375237431e+00 -4.375237431e+00 2.74 -4.409486007e+00 -4.409486007e+00 2.76 -4.434112414e+00 -4.434112414e+00 2.78 -4.449675131e+00 -4.449675131e+00 2.80 -4.456690854e+00 -4.456690854e+00 2.82 -4.455646181e+00 -4.455646181e+00 2.84 -4.447009251e+00 -4.447009251e+00 2.86 -4.431326041e+00 -4.431326041e+00 2.88 -4.408977262e+00 -4.408977262e+00 2.90 -4.380242020e+00 -4.380242020e+00 2.92 -4.345473022e+00 -4.345473022e+00 2.94 -4.305095248e+00 -4.305095248e+00 2.96 -4.259600072e+00 -4.259600072e+00 2.98 -4.209533013e+00 -4.209533013e+00 3.00 -4.155474878e+00 -4.155474878e+00 3.02 -4.098017727e+00 -4.098017727e+00 3.04 -4.037733111e+00 -4.037733111e+00 3.06 -3.975144903e+00 -3.975144903e+00 3.08 -3.910719671e+00 -3.910719671e+00 3.10 -3.844855695e+00 -3.844855695e+00 3.12 -3.777878556e+00 -3.777878556e+00 3.14 -3.710044371e+00 -3.710044371e+00 3.16 -3.641548231e+00 -3.641548231e+00 3.18 -3.572536086e+00 -3.572536086e+00 3.20 -3.503117259e+00 -3.503117259e+00 3.22 -3.433376053e+00 -3.433376053e+00 3.24 -3.363381400e+00 -3.363381400e+00 3.26 -3.293194196e+00 -3.293194196e+00 3.28 -3.222872439e+00 -3.222872439e+00 3.30 -3.152474538e+00 -3.152474538e+00 3.32 -3.082061205e+00 -3.082061205e+00 3.34 -3.011706254e+00 -3.011706254e+00 3.36 -2.941537625e+00 -2.941537625e+00 3.38 -2.871690557e+00 -2.871690557e+00 3.40 -2.802288094e+00 -2.802288094e+00 3.42 -2.733443269e+00 -2.733443269e+00 3.44 -2.665260791e+00 -2.665260791e+00 3.46 -2.597838598e+00 -2.597838598e+00 3.48 -2.531269072e+00 -2.531269072e+00 3.50 -2.465639873e+00 -2.465639873e+00 3.52 -2.401034168e+00 -2.401034168e+00 3.54 -2.337530047e+00 -2.337530047e+00 3.56 -2.275199063e+00 -2.275199063e+00 3.58 -2.214104023e+00 -2.214104023e+00 3.60 -2.154296437e+00 -2.154296437e+00 3.62 -2.095814177e+00 -2.095814177e+00 3.64 -2.038679889e+00 -2.038679889e+00 3.66 -1.982900532e+00 -1.982900532e+00 3.68 -1.928468094e+00 -1.928468094e+00 3.70 -1.875361284e+00 -1.875361284e+00 3.72 -1.823547854e+00 -1.823547854e+00 3.74 -1.772987151e+00 -1.772987151e+00 3.76 -1.723632593e+00 -1.723632593e+00 3.78 -1.675433886e+00 -1.675433886e+00 3.80 -1.628338862e+00 -1.628338862e+00 3.82 -1.582294957e+00 -1.582294957e+00 3.84 -1.537250318e+00 -1.537250318e+00 3.86 -1.493154610e+00 -1.493154610e+00 3.88 -1.449959572e+00 -1.449959572e+00 3.90 -1.407619364e+00 -1.407619364e+00 3.92 -1.366090782e+00 -1.366090782e+00 3.94 -1.325333490e+00 -1.325333490e+00 3.96 -1.285310089e+00 -1.285310089e+00 3.98 -1.245986470e+00 -1.245986470e+00 4.00 -1.207332211e+00 -1.207332211e+00 4.02 -1.169321204e+00 -1.169321204e+00 4.04 -1.131932490e+00 -1.131932490e+00 4.06 -1.095151280e+00 -1.095151280e+00 4.08 -1.058970069e+00 -1.058970069e+00 4.10 -1.023389663e+00 -1.023389663e+00 4.12 -9.884203084e-01 -9.884203084e-01 4.14 -9.540817340e-01 -9.540817340e-01 4.16 -9.204032728e-01 -9.204032728e-01 4.18 -8.874228578e-01 -8.874228578e-01 4.20 -8.551852756e-01 -8.551852756e-01 4.22 -8.237396673e-01 -8.237396673e-01 4.24 -7.931364617e-01 -7.931364617e-01 4.26 -7.634240271e-01 -7.634240271e-01 4.28 -7.346453733e-01 -7.346453733e-01 4.30 -7.068352239e-01 -7.068352239e-01 4.32 -6.800177102e-01 -6.800177102e-01 4.34 -6.542048419e-01 -6.542048419e-01 4.36 -6.293957998e-01 -6.293957998e-01 4.38 -6.055770074e-01 -6.055770074e-01 4.40 -5.827228703e-01 -5.827228703e-01 4.42 -5.607970379e-01 -5.607970379e-01 4.44 -5.397540296e-01 -5.397540296e-01 4.46 -5.195410706e-01 -5.195410706e-01 4.48 -5.001000017e-01 -5.001000017e-01 4.50 -4.813691538e-01 -4.813691538e-01 4.52 -4.632851068e-01 -4.632851068e-01 4.54 -4.457842861e-01 -4.457842861e-01 4.56 -4.288043805e-01 -4.288043805e-01 4.58 -4.122855886e-01 -4.122855886e-01 4.60 -3.961717211e-01 -3.961717211e-01 4.62 -3.804111904e-01 -3.804111904e-01 4.64 -3.649579222e-01 -3.649579222e-01 4.66 -3.497722096e-01 -3.497722096e-01 4.68 -3.348215179e-01 -3.348215179e-01 4.70 -3.200812235e-01 -3.200812235e-01 4.72 -3.055352500e-01 -3.055352500e-01 4.74 -2.911765433e-01 -2.911765433e-01 4.76 -2.770073129e-01 -2.770073129e-01 4.78 -2.630389620e-01 -2.630389620e-01 4.80 -2.492915981e-01 -2.492915981e-01 4.82 -2.357933416e-01 -2.357933416e-01 4.84 -2.225787515e-01 -2.225787515e-01 4.86 -2.096873383e-01 -2.096873383e-01 4.88 -1.971615320e-01 -1.971615320e-01 4.90 -1.850445310e-01 -1.850445310e-01 4.92 -1.733781335e-01 -1.733781335e-01 4.94 -1.622007042e-01 -1.622007042e-01 4.96 -1.515454171e-01 -1.515454171e-01 4.98 -1.414388764e-01 -1.414388764e-01 5.00 -1.319001776e-01 -1.319001776e-01 5.02 -1.229404234e-01 -1.229404234e-01 5.04 -1.145626726e-01 -1.145626726e-01 5.06 -1.067622702e-01 -1.067622702e-01 5.08 -9.952748568e-02 -9.952748568e-02 5.10 -9.284038277e-02 -9.284038277e-02 5.12 -8.667783731e-02 -8.667783731e-02 5.14 -8.101262870e-02 -8.101262870e-02 5.16 -7.581453608e-02 -7.581453608e-02 5.18 -7.105139134e-02 -7.105139134e-02 5.20 -6.669002699e-02 -6.669002699e-02 5.22 -6.269691081e-02 -6.269691081e-02 5.24 -5.903934772e-02 -5.903934772e-02 5.26 -5.568603549e-02 -5.568603549e-02 5.28 -5.260733518e-02 -5.260733518e-02 5.30 -4.977433964e-02 -4.977433964e-02 5.32 -4.716028758e-02 -4.716028758e-02 5.34 -4.474063447e-02 -4.474063447e-02 5.36 -4.249298886e-02 -4.249298886e-02 5.38 -4.039701907e-02 -4.039701907e-02 5.40 -3.843433929e-02 -3.843433929e-02 5.42 -3.658838390e-02 -3.658838390e-02 5.44 -3.484427793e-02 -3.484427793e-02 5.46 -3.318871043e-02 -3.318871043e-02 5.48 -3.160981643e-02 -3.160981643e-02 5.50 -3.009707184e-02 -3.009707184e-02 5.52 -2.864120439e-02 -2.864120439e-02 5.54 -2.723412231e-02 -2.723412231e-02 5.56 -2.586886130e-02 -2.586886130e-02 5.58 -2.453954805e-02 -2.453954805e-02 5.60 -2.324137905e-02 -2.324137905e-02 5.62 -2.197060964e-02 -2.197060964e-02 5.64 -2.072454808e-02 -2.072454808e-02 5.66 -1.950154766e-02 -1.950154766e-02 5.68 -1.830098893e-02 -1.830098893e-02 5.70 -1.712324387e-02 -1.712324387e-02 5.72 -1.596961422e-02 -1.596961422e-02 5.74 -1.484223776e-02 -1.484223776e-02 5.76 -1.374395942e-02 -1.374395942e-02 5.78 -1.267804978e-02 -1.267804978e-02 5.80 -1.164816938e-02 -1.164816938e-02 5.82 -1.065826527e-02 -1.065826527e-02 5.84 -9.712186113e-03 -9.712186113e-03 5.86 -8.813465752e-03 -8.813465752e-03 5.88 -7.965130438e-03 -7.965130438e-03 5.90 -7.169543449e-03 -7.169543449e-03 5.92 -6.428297046e-03 -6.428297046e-03 5.94 -5.742156763e-03 -5.742156763e-03 5.96 -5.111057599e-03 -5.111057599e-03 5.98 -4.534146864e-03 -4.534146864e-03 6.00 -4.009864765e-03 -4.009864765e-03