# 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 = AgCoMg2 # 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 2.853764744e+02 2.853764744e+02 1.30 2.637604123e+02 2.637604123e+02 1.32 2.438092633e+02 2.438092633e+02 1.34 2.253863844e+02 2.253863844e+02 1.36 2.083674372e+02 2.083674372e+02 1.38 1.926397197e+02 1.926397197e+02 1.40 1.781008756e+02 1.781008756e+02 1.42 1.646572755e+02 1.646572755e+02 1.44 1.522225099e+02 1.522225099e+02 1.46 1.407164741e+02 1.407164741e+02 1.48 1.300652955e+02 1.300652955e+02 1.50 1.202016595e+02 1.202016595e+02 1.52 1.110647318e+02 1.110647318e+02 1.54 1.025994333e+02 1.025994333e+02 1.56 9.475552650e+01 9.475552650e+01 1.58 8.748713813e+01 8.748713813e+01 1.60 8.075373091e+01 8.075373091e+01 1.62 7.451588413e+01 7.451588413e+01 1.64 6.873662384e+01 6.873662384e+01 1.66 6.338147787e+01 6.338147787e+01 1.68 5.841836924e+01 5.841836924e+01 1.70 5.381771883e+01 5.381771883e+01 1.72 4.955246934e+01 4.955246934e+01 1.74 4.559790973e+01 4.559790973e+01 1.76 4.193137689e+01 4.193137689e+01 1.78 3.853199614e+01 3.853199614e+01 1.80 3.538051620e+01 3.538051620e+01 1.82 3.245919656e+01 3.245919656e+01 1.84 2.975168133e+01 2.975168133e+01 1.86 2.724286479e+01 2.724286479e+01 1.88 2.491874683e+01 2.491874683e+01 1.90 2.276629027e+01 2.276629027e+01 1.92 2.077328453e+01 2.077328453e+01 1.94 1.892823791e+01 1.892823791e+01 1.96 1.722032354e+01 1.722032354e+01 1.98 1.563938787e+01 1.563938787e+01 2.00 1.417599642e+01 1.417599642e+01 2.02 1.282147331e+01 1.282147331e+01 2.04 1.156789825e+01 1.156789825e+01 2.06 1.040804765e+01 1.040804765e+01 2.08 9.335297735e+00 9.335297735e+00 2.10 8.343525474e+00 8.343525474e+00 2.12 7.427030282e+00 7.427030282e+00 2.14 6.580485214e+00 6.580485214e+00 2.16 5.798913011e+00 5.798913011e+00 2.18 5.077673366e+00 5.077673366e+00 2.20 4.412454681e+00 4.412454681e+00 2.22 3.799260261e+00 3.799260261e+00 2.24 3.234392213e+00 3.234392213e+00 2.26 2.714433545e+00 2.714433545e+00 2.28 2.236227675e+00 2.236227675e+00 2.30 1.796860975e+00 1.796860975e+00 2.32 1.393637196e+00 1.393637196e+00 2.34 1.024057159e+00 1.024057159e+00 2.36 6.857861891e-01 6.857861891e-01 2.38 3.766077348e-01 3.766077348e-01 2.40 9.452425645e-02 9.452425645e-02 2.42 -1.623386906e-01 -1.623386906e-01 2.44 -3.957604593e-01 -3.957604593e-01 2.46 -6.074338009e-01 -6.074338009e-01 2.48 -7.989698397e-01 -7.989698397e-01 2.50 -9.719010027e-01 -9.719010027e-01 2.52 -1.127675216e+00 -1.127675216e+00 2.54 -1.267609224e+00 -1.267609224e+00 2.56 -1.392937174e+00 -1.392937174e+00 2.58 -1.504843404e+00 -1.504843404e+00 2.60 -1.604455834e+00 -1.604455834e+00 2.62 -1.692833273e+00 -1.692833273e+00 2.64 -1.770951311e+00 -1.770951311e+00 2.66 -1.839689219e+00 -1.839689219e+00 2.68 -1.899918835e+00 -1.899918835e+00 2.70 -1.952287922e+00 -1.952287922e+00 2.72 -1.997290533e+00 -1.997290533e+00 2.74 -2.035379888e+00 -2.035379888e+00 2.76 -2.066979141e+00 -2.066979141e+00 2.78 -2.092489320e+00 -2.092489320e+00 2.80 -2.112295291e+00 -2.112295291e+00 2.82 -2.126766606e+00 -2.126766606e+00 2.84 -2.136263505e+00 -2.136263505e+00 2.86 -2.141138253e+00 -2.141138253e+00 2.88 -2.141728182e+00 -2.141728182e+00 2.90 -2.138356183e+00 -2.138356183e+00 2.92 -2.131332650e+00 -2.131332650e+00 2.94 -2.120958282e+00 -2.120958282e+00 2.96 -2.107527531e+00 -2.107527531e+00 2.98 -2.091332148e+00 -2.091332148e+00 3.00 -2.072663889e+00 -2.072663889e+00 3.02 -2.051815248e+00 -2.051815248e+00 3.04 -2.029077031e+00 -2.029077031e+00 3.06 -2.004734152e+00 -2.004734152e+00 3.08 -1.979065905e+00 -1.979065905e+00 3.10 -1.952349936e+00 -1.952349936e+00 3.12 -1.924771420e+00 -1.924771420e+00 3.14 -1.896485009e+00 -1.896485009e+00 3.16 -1.867619082e+00 -1.867619082e+00 3.18 -1.838279773e+00 -1.838279773e+00 3.20 -1.808554827e+00 -1.808554827e+00 3.22 -1.778518908e+00 -1.778518908e+00 3.24 -1.748237758e+00 -1.748237758e+00 3.26 -1.717742616e+00 -1.717742616e+00 3.28 -1.687030907e+00 -1.687030907e+00 3.30 -1.656112451e+00 -1.656112451e+00 3.32 -1.625009811e+00 -1.625009811e+00 3.34 -1.593754876e+00 -1.593754876e+00 3.36 -1.562385280e+00 -1.562385280e+00 3.38 -1.530941266e+00 -1.530941266e+00 3.40 -1.499463301e+00 -1.499463301e+00 3.42 -1.467991065e+00 -1.467991065e+00 3.44 -1.436562359e+00 -1.436562359e+00 3.46 -1.405213422e+00 -1.405213422e+00 3.48 -1.373978976e+00 -1.373978976e+00 3.50 -1.342892348e+00 -1.342892348e+00 3.52 -1.311985474e+00 -1.311985474e+00 3.54 -1.281288779e+00 -1.281288779e+00 3.56 -1.250830951e+00 -1.250830951e+00 3.58 -1.220638686e+00 -1.220638686e+00 3.60 -1.190736456e+00 -1.190736456e+00 3.62 -1.161146331e+00 -1.161146331e+00 3.64 -1.131887916e+00 -1.131887916e+00 3.66 -1.102978383e+00 -1.102978383e+00 3.68 -1.074432634e+00 -1.074432634e+00 3.70 -1.046263575e+00 -1.046263575e+00 3.72 -1.018482478e+00 -1.018482478e+00 3.74 -9.910994145e-01 -9.910994145e-01 3.76 -9.641237187e-01 -9.641237187e-01 3.78 -9.375644190e-01 -9.375644190e-01 3.80 -9.114305952e-01 -9.114305952e-01 3.82 -8.857315910e-01 -8.857315910e-01 3.84 -8.604770368e-01 -8.604770368e-01 3.86 -8.356766509e-01 -8.356766509e-01 3.88 -8.113398317e-01 -8.113398317e-01 3.90 -7.874750917e-01 -7.874750917e-01 3.92 -7.640892346e-01 -7.640892346e-01 3.94 -7.411875812e-01 -7.411875812e-01 3.96 -7.187722577e-01 -7.187722577e-01 3.98 -6.968428891e-01 -6.968428891e-01 4.00 -6.753963882e-01 -6.753963882e-01 4.02 -6.544272069e-01 -6.544272069e-01 4.04 -6.339277578e-01 -6.339277578e-01 4.06 -6.138889494e-01 -6.138889494e-01 4.08 -5.943007852e-01 -5.943007852e-01 4.10 -5.751524414e-01 -5.751524414e-01 4.12 -5.564352181e-01 -5.564352181e-01 4.14 -5.381395054e-01 -5.381395054e-01 4.16 -5.202579754e-01 -5.202579754e-01 4.18 -5.027854386e-01 -5.027854386e-01 4.20 -4.857192931e-01 -4.857192931e-01 4.22 -4.690598155e-01 -4.690598155e-01 4.24 -4.528102292e-01 -4.528102292e-01 4.26 -4.369764918e-01 -4.369764918e-01 4.28 -4.215667689e-01 -4.215667689e-01 4.30 -4.065906052e-01 -4.065906052e-01 4.32 -3.920578541e-01 -3.920578541e-01 4.34 -3.779774790e-01 -3.779774790e-01 4.36 -3.643563689e-01 -3.643563689e-01 4.38 -3.511983148e-01 -3.511983148e-01 4.40 -3.385032658e-01 -3.385032658e-01 4.42 -3.262669332e-01 -3.262669332e-01 4.44 -3.144807520e-01 -3.144807520e-01 4.46 -3.031321554e-01 -3.031321554e-01 4.48 -2.922050855e-01 -2.922050855e-01 4.50 -2.816806445e-01 -2.816806445e-01 4.52 -2.715378005e-01 -2.715378005e-01 4.54 -2.617540740e-01 -2.617540740e-01 4.56 -2.523061587e-01 -2.523061587e-01 4.58 -2.431704496e-01 -2.431704496e-01 4.60 -2.343234738e-01 -2.343234738e-01 4.62 -2.257422320e-01 -2.257422320e-01 4.64 -2.174044700e-01 -2.174044700e-01 4.66 -2.092889025e-01 -2.092889025e-01 4.68 -2.013754120e-01 -2.013754120e-01 4.70 -1.936452459e-01 -1.936452459e-01 4.72 -1.860812300e-01 -1.860812300e-01 4.74 -1.786680092e-01 -1.786680092e-01 4.76 -1.713923229e-01 -1.713923229e-01 4.78 -1.642433120e-01 -1.642433120e-01 4.80 -1.572124546e-01 -1.572124546e-01 4.82 -1.502955129e-01 -1.502955129e-01 4.84 -1.434902647e-01 -1.434902647e-01 4.86 -1.367984961e-01 -1.367984961e-01 4.88 -1.302256065e-01 -1.302256065e-01 4.90 -1.237805132e-01 -1.237805132e-01 4.92 -1.174753463e-01 -1.174753463e-01 4.94 -1.113249164e-01 -1.113249164e-01 4.96 -1.053459632e-01 -1.053459632e-01 4.98 -9.955622420e-02 -9.955622420e-02 5.00 -9.397339161e-02 -9.397339161e-02 5.02 -8.861404587e-02 -8.861404587e-02 5.04 -8.349266368e-02 -8.349266368e-02 5.06 -7.862078905e-02 -7.862078905e-02 5.08 -7.400643633e-02 -7.400643633e-02 5.10 -6.965376961e-02 -6.965376961e-02 5.12 -6.556302468e-02 -6.556302468e-02 5.14 -6.173070822e-02 -6.173070822e-02 5.16 -5.814999314e-02 -5.814999314e-02 5.18 -5.481124497e-02 -5.481124497e-02 5.20 -5.170262578e-02 -5.170262578e-02 5.22 -4.881069122e-02 -4.881069122e-02 5.24 -4.612006692e-02 -4.612006692e-02 5.26 -4.361605602e-02 -4.361605602e-02 5.28 -4.128446691e-02 -4.128446691e-02 5.30 -3.911130719e-02 -3.911130719e-02 5.32 -3.708315612e-02 -3.708315612e-02 5.34 -3.518743270e-02 -3.518743270e-02 5.36 -3.341257136e-02 -3.341257136e-02 5.38 -3.174811751e-02 -3.174811751e-02 5.40 -3.018475634e-02 -3.018475634e-02 5.42 -2.871428666e-02 -2.871428666e-02 5.44 -2.732955098e-02 -2.732955098e-02 5.46 -2.602433291e-02 -2.602433291e-02 5.48 -2.479323232e-02 -2.479323232e-02 5.50 -2.363152898e-02 -2.363152898e-02 5.52 -2.253504443e-02 -2.253504443e-02 5.54 -2.150001141e-02 -2.150001141e-02 5.56 -2.052295839e-02 -2.052295839e-02 5.58 -1.960061451e-02 -1.960061451e-02 5.60 -1.872983799e-02 -1.872983799e-02 5.62 -1.790756814e-02 -1.790756814e-02 5.64 -1.713079906e-02 -1.713079906e-02 5.66 -1.639657129e-02 -1.639657129e-02 5.68 -1.570197685e-02 -1.570197685e-02 5.70 -1.504417283e-02 -1.504417283e-02 5.72 -1.442039912e-02 -1.442039912e-02 5.74 -1.382799632e-02 -1.382799632e-02 5.76 -1.326439204e-02 -1.326439204e-02 5.78 -1.272716291e-02 -1.272716291e-02 5.80 -1.221404549e-02 -1.221404549e-02 5.82 -1.172291874e-02 -1.172291874e-02 5.84 -1.125180494e-02 -1.125180494e-02 5.86 -1.079886758e-02 -1.079886758e-02 5.88 -1.036240716e-02 -1.036240716e-02 5.90 -9.940855738e-03 -9.940855738e-03 5.92 -9.532771073e-03 -9.532771073e-03 5.94 -9.136831051e-03 -9.136831051e-03 5.96 -8.751829006e-03 -8.751829006e-03 5.98 -8.376670353e-03 -8.376670353e-03 6.00 -8.010370854e-03 -8.010370854e-03