# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2018--Choi-W-M-Jo-Y-H-Sohn-S-S-et-al--Co-Ni-Cr-Fe-Mn # implementation = 2018--Choi-W-M--Co-Ni-Cr-Fe-Mn--LAMMPS--ipr1 # composition = CoCrNi2 # 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 2022-05-24 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 4.231858358e+02 4.231858358e+02 0.94 3.942725242e+02 3.942725242e+02 0.96 3.672151222e+02 3.672151222e+02 0.98 3.418990025e+02 3.418990025e+02 1.00 3.182164036e+02 3.182164036e+02 1.02 2.960660306e+02 2.960660306e+02 1.04 2.753526781e+02 2.753526781e+02 1.06 2.559868739e+02 2.559868739e+02 1.08 2.378845365e+02 2.378845365e+02 1.10 2.209666598e+02 2.209666598e+02 1.12 2.051590260e+02 2.051590260e+02 1.14 1.903919235e+02 1.903919235e+02 1.16 1.765998805e+02 1.765998805e+02 1.18 1.637214136e+02 1.637214136e+02 1.20 1.516987912e+02 1.516987912e+02 1.22 1.404778108e+02 1.404778108e+02 1.24 1.300075948e+02 1.300075948e+02 1.26 1.202403964e+02 1.202403964e+02 1.28 1.111313995e+02 1.111313995e+02 1.30 1.026385432e+02 1.026385432e+02 1.32 9.472235755e+01 9.472235755e+01 1.34 8.734580924e+01 8.734580924e+01 1.36 8.047415587e+01 8.047415587e+01 1.38 7.407480880e+01 7.407480880e+01 1.40 6.811720383e+01 6.811720383e+01 1.42 6.257267750e+01 6.257267750e+01 1.44 5.741434225e+01 5.741434225e+01 1.46 5.261699018e+01 5.261699018e+01 1.48 4.815699688e+01 4.815699688e+01 1.50 4.401222476e+01 4.401222476e+01 1.52 4.016193209e+01 4.016193209e+01 1.54 3.658668757e+01 3.658668757e+01 1.56 3.326828990e+01 3.326828990e+01 1.58 3.018969226e+01 3.018969226e+01 1.60 2.733493125e+01 2.733493125e+01 1.62 2.468906018e+01 2.468906018e+01 1.64 2.223808965e+01 2.223808965e+01 1.66 1.996893814e+01 1.996893814e+01 1.68 1.786936273e+01 1.786936273e+01 1.70 1.592790333e+01 1.592790333e+01 1.72 1.413383452e+01 1.413383452e+01 1.74 1.247712032e+01 1.247712032e+01 1.76 1.094837155e+01 1.094837155e+01 1.78 9.538805798e+00 9.538805798e+00 1.80 8.240209744e+00 8.240209744e+00 1.82 7.044903740e+00 7.044903740e+00 1.84 5.945708524e+00 5.945708524e+00 1.86 4.935913927e+00 4.935913927e+00 1.88 4.009249134e+00 4.009249134e+00 1.90 3.159845592e+00 3.159845592e+00 1.92 2.382212250e+00 2.382212250e+00 1.94 1.671223724e+00 1.671223724e+00 1.96 1.022097464e+00 1.022097464e+00 1.98 4.303716326e-01 4.303716326e-01 2.00 -1.081156182e-01 -1.081156182e-01 2.02 -5.972455736e-01 -5.972455736e-01 2.04 -1.040637161e+00 -1.040637161e+00 2.06 -1.441664004e+00 -1.441664004e+00 2.08 -1.803470407e+00 -1.803470407e+00 2.10 -2.128986319e+00 -2.128986319e+00 2.12 -2.420941193e+00 -2.420941193e+00 2.14 -2.681868558e+00 -2.681868558e+00 2.16 -2.914116308e+00 -2.914116308e+00 2.18 -3.119871995e+00 -3.119871995e+00 2.20 -3.301174283e+00 -3.301174283e+00 2.22 -3.459922553e+00 -3.459922553e+00 2.24 -3.597885918e+00 -3.597885918e+00 2.26 -3.716711674e+00 -3.716711674e+00 2.28 -3.817933222e+00 -3.817933222e+00 2.30 -3.902977496e+00 -3.902977496e+00 2.32 -3.973171922e+00 -3.973171922e+00 2.34 -4.029750946e+00 -4.029750946e+00 2.36 -4.073862141e+00 -4.073862141e+00 2.38 -4.106571936e+00 -4.106571936e+00 2.40 -4.128870983e+00 -4.128870983e+00 2.42 -4.141679172e+00 -4.141679172e+00 2.44 -4.145850345e+00 -4.145850345e+00 2.46 -4.142176694e+00 -4.142176694e+00 2.48 -4.131392883e+00 -4.131392883e+00 2.50 -4.114179913e+00 -4.114179913e+00 2.52 -4.091167027e+00 -4.091167027e+00 2.54 -4.062922909e+00 -4.062922909e+00 2.56 -4.029968276e+00 -4.029968276e+00 2.58 -3.992786662e+00 -3.992786662e+00 2.60 -3.951826888e+00 -3.951826888e+00 2.62 -3.907505321e+00 -3.907505321e+00 2.64 -3.860207988e+00 -3.860207988e+00 2.66 -3.810292563e+00 -3.810292563e+00 2.68 -3.758090221e+00 -3.758090221e+00 2.70 -3.703907384e+00 -3.703907384e+00 2.72 -3.648027353e+00 -3.648027353e+00 2.74 -3.590711829e+00 -3.590711829e+00 2.76 -3.532202354e+00 -3.532202354e+00 2.78 -3.472721645e+00 -3.472721645e+00 2.80 -3.412474851e+00 -3.412474851e+00 2.82 -3.351650729e+00 -3.351650729e+00 2.84 -3.290422741e+00 -3.290422741e+00 2.86 -3.228950086e+00 -3.228950086e+00 2.88 -3.167378660e+00 -3.167378660e+00 2.90 -3.105841957e+00 -3.105841957e+00 2.92 -3.044461910e+00 -3.044461910e+00 2.94 -2.983349681e+00 -2.983349681e+00 2.96 -2.922606392e+00 -2.922606392e+00 2.98 -2.862323816e+00 -2.862323816e+00 3.00 -2.802585014e+00 -2.802585014e+00 3.02 -2.743464936e+00 -2.743464936e+00 3.04 -2.685030981e+00 -2.685030981e+00 3.06 -2.627343512e+00 -2.627343512e+00 3.08 -2.570456346e+00 -2.570456346e+00 3.10 -2.514417202e+00 -2.514417202e+00 3.12 -2.459268121e+00 -2.459268121e+00 3.14 -2.405045856e+00 -2.405045856e+00 3.16 -2.351782234e+00 -2.351782234e+00 3.18 -2.299504490e+00 -2.299504490e+00 3.20 -2.248235577e+00 -2.248235577e+00 3.22 -2.197994453e+00 -2.197994453e+00 3.24 -2.148796346e+00 -2.148796346e+00 3.26 -2.100652994e+00 -2.100652994e+00 3.28 -2.053572871e+00 -2.053572871e+00 3.30 -2.007561390e+00 -2.007561390e+00 3.32 -1.962621091e+00 -1.962621091e+00 3.34 -1.918751809e+00 -1.918751809e+00 3.36 -1.875950835e+00 -1.875950835e+00 3.38 -1.834213051e+00 -1.834213051e+00 3.40 -1.793531061e+00 -1.793531061e+00 3.42 -1.753895307e+00 -1.753895307e+00 3.44 -1.715294175e+00 -1.715294175e+00 3.46 -1.677714091e+00 -1.677714091e+00 3.48 -1.641139611e+00 -1.641139611e+00 3.50 -1.605553501e+00 -1.605553501e+00 3.52 -1.570936819e+00 -1.570936819e+00 3.54 -1.537268986e+00 -1.537268986e+00 3.56 -1.504527862e+00 -1.504527862e+00 3.58 -1.472689822e+00 -1.472689822e+00 3.60 -1.441729833e+00 -1.441729833e+00 3.62 -1.411621536e+00 -1.411621536e+00 3.64 -1.382337340e+00 -1.382337340e+00 3.66 -1.353848520e+00 -1.353848520e+00 3.68 -1.326125331e+00 -1.326125331e+00 3.70 -1.299137134e+00 -1.299137134e+00 3.72 -1.272852539e+00 -1.272852539e+00 3.74 -1.247239563e+00 -1.247239563e+00 3.76 -1.222265808e+00 -1.222265808e+00 3.78 -1.197898660e+00 -1.197898660e+00 3.80 -1.174105503e+00 -1.174105503e+00 3.82 -1.150858997e+00 -1.150858997e+00 3.84 -1.128548185e+00 -1.128548185e+00 3.86 -1.107425296e+00 -1.107425296e+00 3.88 -1.065394035e+00 -1.065394035e+00 3.90 -9.954472034e-01 -9.954472034e-01 3.92 -9.714392134e-01 -9.714392134e-01 3.94 -9.479234501e-01 -9.479234501e-01 3.96 -9.248989863e-01 -9.248989863e-01 3.98 -9.023630988e-01 -9.023630988e-01 4.00 -8.803116336e-01 -8.803116336e-01 4.02 -8.587393320e-01 -8.587393320e-01 4.04 -8.376401085e-01 -8.376401085e-01 4.06 -8.170072768e-01 -8.170072768e-01 4.08 -7.968337289e-01 -7.968337289e-01 4.10 -7.771120700e-01 -7.771120700e-01 4.12 -7.578347192e-01 -7.578347192e-01 4.14 -7.389939819e-01 -7.389939819e-01 4.16 -7.205821010e-01 -7.205821010e-01 4.18 -7.025912938e-01 -7.025912938e-01 4.20 -6.850137776e-01 -6.850137776e-01 4.22 -6.678417889e-01 -6.678417889e-01 4.24 -6.510675975e-01 -6.510675975e-01 4.26 -6.346835181e-01 -6.346835181e-01 4.28 -6.186819189e-01 -6.186819189e-01 4.30 -6.030552299e-01 -6.030552299e-01 4.32 -5.877959496e-01 -5.877959496e-01 4.34 -5.728966503e-01 -5.728966503e-01 4.36 -5.583499842e-01 -5.583499842e-01 4.38 -5.441486871e-01 -5.441486871e-01 4.40 -5.302855829e-01 -5.302855829e-01 4.42 -5.159084635e-01 -5.159084635e-01 4.44 -4.902443481e-01 -4.902443481e-01 4.46 -4.223550084e-01 -4.223550084e-01 4.48 -2.529602730e-01 -2.529602730e-01 4.50 -2.936202436e-22 -2.933606228e-22 4.52 0.000000000e+00 0.000000000e+00 4.54 0.000000000e+00 0.000000000e+00 4.56 0.000000000e+00 0.000000000e+00 4.58 0.000000000e+00 0.000000000e+00 4.60 0.000000000e+00 0.000000000e+00 4.62 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