# 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 = Au2CoMo # 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 2.984737224e+02 2.984737224e+02 1.30 2.763655772e+02 2.763655772e+02 1.32 2.558955421e+02 2.558955421e+02 1.34 2.369309497e+02 2.369309497e+02 1.36 2.193540530e+02 2.193540530e+02 1.38 2.030595337e+02 2.030595337e+02 1.40 1.879517816e+02 1.879517816e+02 1.42 1.739422523e+02 1.739422523e+02 1.44 1.609478324e+02 1.609478324e+02 1.46 1.488904014e+02 1.488904014e+02 1.48 1.376968912e+02 1.376968912e+02 1.50 1.272994109e+02 1.272994109e+02 1.52 1.176354932e+02 1.176354932e+02 1.54 1.086482720e+02 1.086482720e+02 1.56 1.002862178e+02 1.002862178e+02 1.58 9.250244013e+01 9.250244013e+01 1.60 8.525388373e+01 8.525388373e+01 1.62 7.850068037e+01 7.850068037e+01 1.64 7.220572637e+01 7.220572637e+01 1.66 6.633445270e+01 6.633445270e+01 1.68 6.085475785e+01 6.085475785e+01 1.70 5.573711032e+01 5.573711032e+01 1.72 5.095480419e+01 5.095480419e+01 1.74 4.648423072e+01 4.648423072e+01 1.76 4.230844303e+01 4.230844303e+01 1.78 3.843545709e+01 3.843545709e+01 1.80 3.485313267e+01 3.485313267e+01 1.82 3.154404577e+01 3.154404577e+01 1.84 2.849120732e+01 2.849120732e+01 1.86 2.567790855e+01 2.567790855e+01 1.88 2.308771201e+01 2.308771201e+01 1.90 2.070462250e+01 2.070462250e+01 1.92 1.851329336e+01 1.851329336e+01 1.94 1.649917036e+01 1.649917036e+01 1.96 1.464854367e+01 1.464854367e+01 1.98 1.294853335e+01 1.294853335e+01 2.00 1.138705793e+01 1.138705793e+01 2.02 9.952824439e+00 9.952824439e+00 2.04 8.635341628e+00 8.635341628e+00 2.06 7.424929044e+00 7.424929044e+00 2.08 6.312698068e+00 6.312698068e+00 2.10 5.290507638e+00 5.290507638e+00 2.12 4.350914976e+00 4.350914976e+00 2.14 3.487137374e+00 3.487137374e+00 2.16 2.693025993e+00 2.693025993e+00 2.18 1.963041746e+00 1.963041746e+00 2.20 1.292222014e+00 1.292222014e+00 2.22 6.761327991e-01 6.761327991e-01 2.24 1.108083245e-01 1.108083245e-01 2.26 -4.073150838e-01 -4.073150838e-01 2.28 -8.814633384e-01 -8.814633384e-01 2.30 -1.314581656e+00 -1.314581656e+00 2.32 -1.709381620e+00 -1.709381620e+00 2.34 -2.068377855e+00 -2.068377855e+00 2.36 -2.393915589e+00 -2.393915589e+00 2.38 -2.688191205e+00 -2.688191205e+00 2.40 -2.953268094e+00 -2.953268094e+00 2.42 -3.191089771e+00 -3.191089771e+00 2.44 -3.403491543e+00 -3.403491543e+00 2.46 -3.592211190e+00 -3.592211190e+00 2.48 -3.758794563e+00 -3.758794563e+00 2.50 -3.904803470e+00 -3.904803470e+00 2.52 -4.031891460e+00 -4.031891460e+00 2.54 -4.141619527e+00 -4.141619527e+00 2.56 -4.235466901e+00 -4.235466901e+00 2.58 -4.314838413e+00 -4.314838413e+00 2.60 -4.381064245e+00 -4.381064245e+00 2.62 -4.435397868e+00 -4.435397868e+00 2.64 -4.478887619e+00 -4.478887619e+00 2.66 -4.512251417e+00 -4.512251417e+00 2.68 -4.536138735e+00 -4.536138735e+00 2.70 -4.551143668e+00 -4.551143668e+00 2.72 -4.557803741e+00 -4.557803741e+00 2.74 -4.556643406e+00 -4.556643406e+00 2.76 -4.548239323e+00 -4.548239323e+00 2.78 -4.532844081e+00 -4.532844081e+00 2.80 -4.510622714e+00 -4.510622714e+00 2.82 -4.481770860e+00 -4.481770860e+00 2.84 -4.446520241e+00 -4.446520241e+00 2.86 -4.405135008e+00 -4.405135008e+00 2.88 -4.357909624e+00 -4.357909624e+00 2.90 -4.305167805e+00 -4.305167805e+00 2.92 -4.247252995e+00 -4.247252995e+00 2.94 -4.184532033e+00 -4.184532033e+00 2.96 -4.117406045e+00 -4.117406045e+00 2.98 -4.046308899e+00 -4.046308899e+00 3.00 -3.971702254e+00 -3.971702254e+00 3.02 -3.894066684e+00 -3.894066684e+00 3.04 -3.813888396e+00 -3.813888396e+00 3.06 -3.731642170e+00 -3.731642170e+00 3.08 -3.647772408e+00 -3.647772408e+00 3.10 -3.562675361e+00 -3.562675361e+00 3.12 -3.476685761e+00 -3.476685761e+00 3.14 -3.390070253e+00 -3.390070253e+00 3.16 -3.303028355e+00 -3.303028355e+00 3.18 -3.215700046e+00 -3.215700046e+00 3.20 -3.128177939e+00 -3.128177939e+00 3.22 -3.040521788e+00 -3.040521788e+00 3.24 -2.952773376e+00 -2.952773376e+00 3.26 -2.864970463e+00 -2.864970463e+00 3.28 -2.777159086e+00 -2.777159086e+00 3.30 -2.689403813e+00 -2.689403813e+00 3.32 -2.601795793e+00 -2.601795793e+00 3.34 -2.514458379e+00 -2.514458379e+00 3.36 -2.427550108e+00 -2.427550108e+00 3.38 -2.341264767e+00 -2.341264767e+00 3.40 -2.255828372e+00 -2.255828372e+00 3.42 -2.171493076e+00 -2.171493076e+00 3.44 -2.088528324e+00 -2.088528324e+00 3.46 -2.007209883e+00 -2.007209883e+00 3.48 -1.927807713e+00 -1.927807713e+00 3.50 -1.850573783e+00 -1.850573783e+00 3.52 -1.775731017e+00 -1.775731017e+00 3.54 -1.703464359e+00 -1.703464359e+00 3.56 -1.633914659e+00 -1.633914659e+00 3.58 -1.567175714e+00 -1.567175714e+00 3.60 -1.503294385e+00 -1.503294385e+00 3.62 -1.442273394e+00 -1.442273394e+00 3.64 -1.384076184e+00 -1.384076184e+00 3.66 -1.328633130e+00 -1.328633130e+00 3.68 -1.275848397e+00 -1.275848397e+00 3.70 -1.225606834e+00 -1.225606834e+00 3.72 -1.177780428e+00 -1.177780428e+00 3.74 -1.132234005e+00 -1.132234005e+00 3.76 -1.088829981e+00 -1.088829981e+00 3.78 -1.047432123e+00 -1.047432123e+00 3.80 -1.007908332e+00 -1.007908332e+00 3.82 -9.701325587e-01 -9.701325587e-01 3.84 -9.339859658e-01 -9.339859658e-01 3.86 -8.993574978e-01 -8.993574978e-01 3.88 -8.661439915e-01 -8.661439915e-01 3.90 -8.342499637e-01 -8.342499637e-01 3.92 -8.035871882e-01 -8.035871882e-01 3.94 -7.740741596e-01 -7.740741596e-01 3.96 -7.456355087e-01 -7.456355087e-01 3.98 -7.182014417e-01 -7.182014417e-01 4.00 -6.917072383e-01 -6.917072383e-01 4.02 -6.660928484e-01 -6.660928484e-01 4.04 -6.413026165e-01 -6.413026165e-01 4.06 -6.172851522e-01 -6.172851522e-01 4.08 -5.939933635e-01 -5.939933635e-01 4.10 -5.713846529e-01 -5.713846529e-01 4.12 -5.494212797e-01 -5.494212797e-01 4.14 -5.280708282e-01 -5.280708282e-01 4.16 -5.073067730e-01 -5.073067730e-01 4.18 -4.871090264e-01 -4.871090264e-01 4.20 -4.674643758e-01 -4.674643758e-01 4.22 -4.483666804e-01 -4.483666804e-01 4.24 -4.298166945e-01 -4.298166945e-01 4.26 -4.118214086e-01 -4.118214086e-01 4.28 -3.943928500e-01 -3.943928500e-01 4.30 -3.775463628e-01 -3.775463628e-01 4.32 -3.612984861e-01 -3.612984861e-01 4.34 -3.456646310e-01 -3.456646310e-01 4.36 -3.306568181e-01 -3.306568181e-01 4.38 -3.162817363e-01 -3.162817363e-01 4.40 -3.025393388e-01 -3.025393388e-01 4.42 -2.894221000e-01 -2.894221000e-01 4.44 -2.769149486e-01 -2.769149486e-01 4.46 -2.649957984e-01 -2.649957984e-01 4.48 -2.536365270e-01 -2.536365270e-01 4.50 -2.428042279e-01 -2.428042279e-01 4.52 -2.324625638e-01 -2.324625638e-01 4.54 -2.225730834e-01 -2.225730834e-01 4.56 -2.130964060e-01 -2.130964060e-01 4.58 -2.039932202e-01 -2.039932202e-01 4.60 -1.952250860e-01 -1.952250860e-01 4.62 -1.867550525e-01 -1.867550525e-01 4.64 -1.785481258e-01 -1.785481258e-01 4.66 -1.705716256e-01 -1.705716256e-01 4.68 -1.627954760e-01 -1.627954760e-01 4.70 -1.551924656e-01 -1.551924656e-01 4.72 -1.477385115e-01 -1.477385115e-01 4.74 -1.404129457e-01 -1.404129457e-01 4.76 -1.331988349e-01 -1.331988349e-01 4.78 -1.260833293e-01 -1.260833293e-01 4.80 -1.190580201e-01 -1.190580201e-01 4.82 -1.121192799e-01 -1.121192799e-01 4.84 -1.052685241e-01 -1.052685241e-01 4.86 -9.851235776e-02 -9.851235776e-02 4.88 -9.186253167e-02 -9.186253167e-02 4.90 -8.533565805e-02 -8.533565805e-02 4.92 -7.895264467e-02 -7.895264467e-02 4.94 -7.273783281e-02 -7.273783281e-02 4.96 -6.671774359e-02 -6.671774359e-02 4.98 -6.091978010e-02 -6.091978010e-02 5.00 -5.537112591e-02 -5.537112591e-02 5.02 -5.009693530e-02 -5.009693530e-02 5.04 -4.511897240e-02 -4.511897240e-02 5.06 -4.045450565e-02 -4.045450565e-02 5.08 -3.611552898e-02 -3.611552898e-02 5.10 -3.210836322e-02 -3.210836322e-02 5.12 -2.843362765e-02 -2.843362765e-02 5.14 -2.508655814e-02 -2.508655814e-02 5.16 -2.205759694e-02 -2.205759694e-02 5.18 -1.933316278e-02 -1.933316278e-02 5.20 -1.689649285e-02 -1.689649285e-02 5.22 -1.472823944e-02 -1.472823944e-02 5.24 -1.280813896e-02 -1.280813896e-02 5.26 -1.111533468e-02 -1.111533468e-02 5.28 -9.628855915e-03 -9.628855915e-03 5.30 -8.328174327e-03 -8.328174327e-03 5.32 -7.193623828e-03 -7.193623828e-03 5.34 -6.206696023e-03 -6.206696023e-03 5.36 -5.350227997e-03 -5.350227997e-03 5.38 -4.608501440e-03 -4.608501440e-03 5.40 -3.967271991e-03 -3.967271991e-03 5.42 -3.413746160e-03 -3.413746160e-03 5.44 -2.936520965e-03 -2.936520965e-03 5.46 -2.525498836e-03 -2.525498836e-03 5.48 -2.171787789e-03 -2.171787789e-03 5.50 -1.867594584e-03 -1.867594584e-03 5.52 -1.606116545e-03 -1.606116545e-03 5.54 -1.381436048e-03 -1.381436048e-03 5.56 -1.188420360e-03 -1.188420360e-03 5.58 -1.022628483e-03 -1.022628483e-03 5.60 -8.802258549e-04 -8.802258549e-04 5.62 -7.579072467e-04 -7.579072467e-04 5.64 -6.528277425e-04 -6.528277425e-04 5.66 -5.625414846e-04 -5.625414846e-04 5.68 -4.849476682e-04 -4.849476682e-04 5.70 -4.182431989e-04 -4.182431989e-04 5.72 -3.608813828e-04 -3.608813828e-04 5.74 -3.115360217e-04 -3.115360217e-04 5.76 -2.690703064e-04 -2.690703064e-04 5.78 -2.325099409e-04 -2.325099409e-04 5.80 -2.010199723e-04 -2.010199723e-04 5.82 -1.738848543e-04 -1.738848543e-04 5.84 -1.504913179e-04 -1.504913179e-04 5.86 -1.303136725e-04 -1.303136725e-04 5.88 -1.129012057e-04 -1.129012057e-04 5.90 -9.786738928e-05 -9.786738928e-05 5.92 -8.488064041e-05 -8.488064041e-05 5.94 -7.365641479e-05 -7.365641479e-05 5.96 -6.395044409e-05 -6.395044409e-05 5.98 -5.555295212e-05 -5.555295212e-05 6.00 -4.828370893e-05 -4.828370893e-05