# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Cr-Ni-Co-W # implementation = 2025--Sharifi-H--Cr-Ni-Co-W--LAMMPS--ipr1 # composition = CoNi2W # 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 2025-07-01 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 1.327731257e+03 1.327731257e+03 1.00 1.228647564e+03 1.228647564e+03 1.02 1.137567872e+03 1.137567872e+03 1.04 1.051674052e+03 1.051674052e+03 1.06 9.682406407e+02 9.682406407e+02 1.08 8.883908908e+02 8.883908908e+02 1.10 8.128904182e+02 8.128904182e+02 1.12 7.421833744e+02 7.421833744e+02 1.14 6.764742872e+02 6.764742872e+02 1.16 6.157920650e+02 6.157920650e+02 1.18 5.600397157e+02 5.600397157e+02 1.20 5.090327872e+02 5.090327872e+02 1.22 4.625288624e+02 4.625288624e+02 1.24 4.202499620e+02 4.202499620e+02 1.26 3.818993877e+02 3.818993877e+02 1.28 3.471741835e+02 3.471741835e+02 1.30 3.157741820e+02 3.157741820e+02 1.32 2.874083967e+02 2.874083967e+02 1.34 2.617993639e+02 2.617993639e+02 1.36 2.386859222e+02 2.386859222e+02 1.38 2.178248015e+02 2.178248015e+02 1.40 1.989913284e+02 1.989913284e+02 1.42 1.819794827e+02 1.819794827e+02 1.44 1.666014828e+02 1.666014828e+02 1.46 1.526870515e+02 1.526870515e+02 1.48 1.400824661e+02 1.400824661e+02 1.50 1.286494760e+02 1.286494760e+02 1.52 1.182641571e+02 1.182641571e+02 1.54 1.088157418e+02 1.088157418e+02 1.56 1.002054646e+02 1.002054646e+02 1.58 9.234544567e+01 9.234544567e+01 1.60 8.515762658e+01 8.515762658e+01 1.62 7.857277203e+01 7.857277203e+01 1.64 7.252954124e+01 7.252954124e+01 1.66 6.697362992e+01 6.697362992e+01 1.68 6.185698449e+01 6.185698449e+01 1.70 5.713708239e+01 5.713708239e+01 1.72 5.277627381e+01 5.277627381e+01 1.74 4.874117850e+01 4.874117850e+01 1.76 4.500210705e+01 4.500210705e+01 1.78 4.153248883e+01 4.153248883e+01 1.80 3.830839479e+01 3.830839479e+01 1.82 3.530811971e+01 3.530811971e+01 1.84 3.251180631e+01 3.251180631e+01 1.86 2.990112033e+01 2.990112033e+01 1.88 2.745898989e+01 2.745898989e+01 1.90 2.516942390e+01 2.516942390e+01 1.92 2.301742083e+01 2.301742083e+01 1.94 2.098897397e+01 2.098897397e+01 1.96 1.907117070e+01 1.907117070e+01 1.98 1.725237082e+01 1.725237082e+01 2.00 1.552243776e+01 1.552243776e+01 2.02 1.387298389e+01 1.387298389e+01 2.04 1.229758291e+01 1.229758291e+01 2.06 1.079189887e+01 1.079189887e+01 2.08 9.353654847e+00 9.353654847e+00 2.10 7.982431076e+00 7.982431076e+00 2.12 6.679368112e+00 6.679368112e+00 2.14 5.446743194e+00 5.446743194e+00 2.16 4.287453330e+00 4.287453330e+00 2.18 3.204469870e+00 3.204469870e+00 2.20 2.200331627e+00 2.200331627e+00 2.22 1.276732186e+00 1.276732186e+00 2.24 4.342433329e-01 4.342433329e-01 2.26 -3.278133272e-01 -3.278133272e-01 2.28 -1.011356703e+00 -1.011356703e+00 2.30 -1.619425206e+00 -1.619425206e+00 2.32 -2.155971534e+00 -2.155971534e+00 2.34 -2.625627157e+00 -2.625627157e+00 2.36 -3.033473263e+00 -3.033473263e+00 2.38 -3.384816202e+00 -3.384816202e+00 2.40 -3.684993793e+00 -3.684993793e+00 2.42 -3.939220451e+00 -3.939220451e+00 2.44 -4.152472142e+00 -4.152472142e+00 2.46 -4.329408141e+00 -4.329408141e+00 2.48 -4.474324281e+00 -4.474324281e+00 2.50 -4.591131540e+00 -4.591131540e+00 2.52 -4.683353856e+00 -4.683353856e+00 2.54 -4.754139697e+00 -4.754139697e+00 2.56 -4.806282802e+00 -4.806282802e+00 2.58 -4.842248447e+00 -4.842248447e+00 2.60 -4.864202452e+00 -4.864202452e+00 2.62 -4.874040960e+00 -4.874040960e+00 2.64 -4.873419589e+00 -4.873419589e+00 2.66 -4.863781070e+00 -4.863781070e+00 2.68 -4.846380858e+00 -4.846380858e+00 2.70 -4.822310451e+00 -4.822310451e+00 2.72 -4.792518335e+00 -4.792518335e+00 2.74 -4.757828614e+00 -4.757828614e+00 2.76 -4.718957436e+00 -4.718957436e+00 2.78 -4.676527396e+00 -4.676527396e+00 2.80 -4.631080088e+00 -4.631080088e+00 2.82 -4.583087010e+00 -4.583087010e+00 2.84 -4.532959007e+00 -4.532959007e+00 2.86 -4.481054422e+00 -4.481054422e+00 2.88 -4.427686128e+00 -4.427686128e+00 2.90 -4.373127582e+00 -4.373127582e+00 2.92 -4.317618026e+00 -4.317618026e+00 2.94 -4.261366964e+00 -4.261366964e+00 2.96 -4.204558003e+00 -4.204558003e+00 2.98 -4.147352152e+00 -4.147352152e+00 3.00 -4.089890657e+00 -4.089890657e+00 3.02 -4.032297433e+00 -4.032297433e+00 3.04 -3.974681156e+00 -3.974681156e+00 3.06 -3.917137051e+00 -3.917137051e+00 3.08 -3.859748437e+00 -3.859748437e+00 3.10 -3.802588053e+00 -3.802588053e+00 3.12 -3.745719191e+00 -3.745719191e+00 3.14 -3.689196679e+00 -3.689196679e+00 3.16 -3.633067724e+00 -3.633067724e+00 3.18 -3.577372638e+00 -3.577372638e+00 3.20 -3.522145468e+00 -3.522145468e+00 3.22 -3.467414541e+00 -3.467414541e+00 3.24 -3.413202941e+00 -3.413202941e+00 3.26 -3.359528931e+00 -3.359528931e+00 3.28 -3.306406321e+00 -3.306406321e+00 3.30 -3.253844809e+00 -3.253844809e+00 3.32 -3.201850288e+00 -3.201850288e+00 3.34 -3.150425134e+00 -3.150425134e+00 3.36 -3.099568487e+00 -3.099568487e+00 3.38 -3.049276522e+00 -3.049276522e+00 3.40 -2.999542724e+00 -2.999542724e+00 3.42 -2.950358168e+00 -2.950358168e+00 3.44 -2.901711815e+00 -2.901711815e+00 3.46 -2.853590819e+00 -2.853590819e+00 3.48 -2.805980856e+00 -2.805980856e+00 3.50 -2.758866473e+00 -2.758866473e+00 3.52 -2.712231450e+00 -2.712231450e+00 3.54 -2.666059192e+00 -2.666059192e+00 3.56 -2.620333123e+00 -2.620333123e+00 3.58 -2.575037093e+00 -2.575037093e+00 3.60 -2.530155783e+00 -2.530155783e+00 3.62 -2.485675100e+00 -2.485675100e+00 3.64 -2.441582549e+00 -2.441582549e+00 3.66 -2.397867566e+00 -2.397867566e+00 3.68 -2.354521812e+00 -2.354521812e+00 3.70 -2.311539400e+00 -2.311539400e+00 3.72 -2.268917059e+00 -2.268917059e+00 3.74 -2.226654209e+00 -2.226654209e+00 3.76 -2.184752970e+00 -2.184752970e+00 3.78 -2.143218073e+00 -2.143218073e+00 3.80 -2.102056700e+00 -2.102056700e+00 3.82 -2.061278252e+00 -2.061278252e+00 3.84 -2.020894046e+00 -2.020894046e+00 3.86 -1.980916974e+00 -1.980916974e+00 3.88 -1.941361125e+00 -1.941361125e+00 3.90 -1.902241387e+00 -1.902241387e+00 3.92 -1.863573052e+00 -1.863573052e+00 3.94 -1.825371435e+00 -1.825371435e+00 3.96 -1.787651521e+00 -1.787651521e+00 3.98 -1.750427644e+00 -1.750427644e+00 4.00 -1.713713221e+00 -1.713713221e+00 4.02 -1.677520530e+00 -1.677520530e+00 4.04 -1.641860541e+00 -1.641860541e+00 4.06 -1.606742803e+00 -1.606742803e+00 4.08 -1.572175375e+00 -1.572175375e+00 4.10 -1.538164802e+00 -1.538164802e+00 4.12 -1.504716135e+00 -1.504716135e+00 4.14 -1.471832976e+00 -1.471832976e+00 4.16 -1.439517553e+00 -1.439517553e+00 4.18 -1.407770809e+00 -1.407770809e+00 4.20 -1.376592513e+00 -1.376592513e+00 4.22 -1.345981363e+00 -1.345981363e+00 4.24 -1.315935104e+00 -1.315935104e+00 4.26 -1.286431872e+00 -1.286431872e+00 4.28 -1.257090446e+00 -1.257090446e+00 4.30 -1.226899688e+00 -1.226899688e+00 4.32 -1.195658651e+00 -1.195658651e+00 4.34 -1.167510387e+00 -1.167510387e+00 4.36 -1.140932054e+00 -1.140932054e+00 4.38 -1.114882248e+00 -1.114882248e+00 4.40 -1.089354287e+00 -1.089354287e+00 4.42 -1.064341290e+00 -1.064341290e+00 4.44 -1.039836209e+00 -1.039836209e+00 4.46 -1.015831855e+00 -1.015831855e+00 4.48 -9.923209269e-01 -9.923209269e-01 4.50 -9.692960336e-01 -9.692960336e-01 4.52 -9.467497126e-01 -9.467497126e-01 4.54 -9.246744494e-01 -9.246744494e-01 4.56 -9.030626943e-01 -9.030626943e-01 4.58 -8.819068781e-01 -8.819068781e-01 4.60 -8.611994262e-01 -8.611994262e-01 4.62 -8.409327718e-01 -8.409327718e-01 4.64 -8.210993682e-01 -8.210993682e-01 4.66 -8.016916995e-01 -8.016916995e-01 4.68 -7.827022902e-01 -7.827022902e-01 4.70 -7.641237146e-01 -7.641237146e-01 4.72 -7.459486037e-01 -7.459486037e-01 4.74 -7.281696519e-01 -7.281696519e-01 4.76 -7.107796228e-01 -7.107796228e-01 4.78 -6.937713534e-01 -6.937713534e-01 4.80 -6.771377576e-01 -6.771377576e-01 4.82 -6.608718299e-01 -6.608718299e-01 4.84 -6.449666466e-01 -6.449666466e-01 4.86 -6.294153682e-01 -6.294153682e-01 4.88 -6.142112402e-01 -6.142112402e-01 4.90 -5.993475940e-01 -5.993475940e-01 4.92 -5.831809909e-01 -5.831809909e-01 4.94 -5.452595868e-01 -5.452595868e-01 4.96 -4.362125187e-01 -4.362125187e-01 4.98 -2.137769715e-01 -2.137769715e-01 5.00 -6.102985922e-23 -6.097280251e-23 5.02 0.000000000e+00 0.000000000e+00 5.04 0.000000000e+00 0.000000000e+00 5.06 0.000000000e+00 0.000000000e+00 5.08 0.000000000e+00 0.000000000e+00 5.10 0.000000000e+00 0.000000000e+00 5.12 0.000000000e+00 0.000000000e+00 5.14 0.000000000e+00 0.000000000e+00 5.16 0.000000000e+00 0.000000000e+00 5.18 0.000000000e+00 0.000000000e+00 5.20 0.000000000e+00 0.000000000e+00 5.22 0.000000000e+00 0.000000000e+00 5.24 0.000000000e+00 0.000000000e+00 5.26 0.000000000e+00 0.000000000e+00 5.28 0.000000000e+00 0.000000000e+00 5.30 0.000000000e+00 0.000000000e+00 5.32 0.000000000e+00 0.000000000e+00 5.34 0.000000000e+00 0.000000000e+00 5.36 0.000000000e+00 0.000000000e+00 5.38 0.000000000e+00 0.000000000e+00 5.40 0.000000000e+00 0.000000000e+00 5.42 0.000000000e+00 0.000000000e+00 5.44 0.000000000e+00 0.000000000e+00 5.46 0.000000000e+00 0.000000000e+00 5.48 0.000000000e+00 0.000000000e+00 5.50 0.000000000e+00 0.000000000e+00 5.52 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 5.56 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00