# 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 = CoNiW2 # 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 1.678814214e+03 1.678814214e+03 1.00 1.550931370e+03 1.550931370e+03 1.02 1.433757766e+03 1.433757766e+03 1.04 1.322169687e+03 1.322169687e+03 1.06 1.212953054e+03 1.212953054e+03 1.08 1.107941922e+03 1.107941922e+03 1.10 1.008383843e+03 1.008383843e+03 1.12 9.149131498e+02 9.149131498e+02 1.14 8.271708413e+02 8.271708413e+02 1.16 7.455271616e+02 7.455271616e+02 1.18 6.702438047e+02 6.702438047e+02 1.20 6.013364005e+02 6.013364005e+02 1.22 5.386480846e+02 5.386480846e+02 1.24 4.819054727e+02 4.819054727e+02 1.26 4.307608992e+02 4.307608992e+02 1.28 3.848239242e+02 3.848239242e+02 1.30 3.436845162e+02 3.436845162e+02 1.32 3.069298054e+02 3.069298054e+02 1.34 2.741558906e+02 2.741558906e+02 1.36 2.449758803e+02 2.449758803e+02 1.38 2.190250756e+02 2.190250756e+02 1.40 1.959640163e+02 1.959640163e+02 1.42 1.754799513e+02 1.754799513e+02 1.44 1.572871576e+02 1.572871576e+02 1.46 1.411264519e+02 1.411264519e+02 1.48 1.267641409e+02 1.267641409e+02 1.50 1.139906055e+02 1.139906055e+02 1.52 1.026186727e+02 1.026186727e+02 1.54 9.248186970e+01 9.248186970e+01 1.56 8.343264824e+01 8.343264824e+01 1.58 7.534063460e+01 7.534063460e+01 1.60 6.809094219e+01 6.809094219e+01 1.62 6.158257496e+01 6.158257496e+01 1.64 5.572693489e+01 5.572693489e+01 1.66 5.044644127e+01 5.044644127e+01 1.68 4.567326854e+01 4.567326854e+01 1.70 4.134819882e+01 4.134819882e+01 1.72 3.741958605e+01 3.741958605e+01 1.74 3.384242660e+01 3.384242660e+01 1.76 3.057752874e+01 3.057752874e+01 1.78 2.759077524e+01 2.759077524e+01 1.80 2.485247113e+01 2.485247113e+01 1.82 2.233676900e+01 2.233676900e+01 1.84 2.002116152e+01 2.002116152e+01 1.86 1.788603787e+01 1.788603787e+01 1.88 1.591429609e+01 1.591429609e+01 1.90 1.409100569e+01 1.409100569e+01 1.92 1.240311416e+01 1.240311416e+01 1.94 1.083919215e+01 1.083919215e+01 1.96 9.389212861e+00 9.389212861e+00 1.98 8.044352886e+00 8.044352886e+00 2.00 6.796799472e+00 6.796799472e+00 2.02 5.639605123e+00 5.639605123e+00 2.04 4.566575132e+00 4.566575132e+00 2.06 3.572169274e+00 3.572169274e+00 2.08 2.651381274e+00 2.651381274e+00 2.10 1.799609952e+00 1.799609952e+00 2.12 1.012574554e+00 1.012574554e+00 2.14 2.862526335e-01 2.862526335e-01 2.16 -3.831396895e-01 -3.831396895e-01 2.18 -9.991621650e-01 -9.991621650e-01 2.20 -1.565163923e+00 -1.565163923e+00 2.22 -2.084296122e+00 -2.084296122e+00 2.24 -2.559523803e+00 -2.559523803e+00 2.26 -2.993636991e+00 -2.993636991e+00 2.28 -3.389261102e+00 -3.389261102e+00 2.30 -3.748866707e+00 -3.748866707e+00 2.32 -4.074778681e+00 -4.074778681e+00 2.34 -4.369184795e+00 -4.369184795e+00 2.36 -4.634143773e+00 -4.634143773e+00 2.38 -4.871592848e+00 -4.871592848e+00 2.40 -5.083354142e+00 -5.083354142e+00 2.42 -5.271141220e+00 -5.271141220e+00 2.44 -5.436566506e+00 -5.436566506e+00 2.46 -5.581147217e+00 -5.581147217e+00 2.48 -5.706310862e+00 -5.706310862e+00 2.50 -5.813400402e+00 -5.813400402e+00 2.52 -5.903679118e+00 -5.903679118e+00 2.54 -5.978335180e+00 -5.978335180e+00 2.56 -6.038485960e+00 -6.038485960e+00 2.58 -6.085182081e+00 -6.085182081e+00 2.60 -6.119411242e+00 -6.119411242e+00 2.62 -6.142101920e+00 -6.142101920e+00 2.64 -6.154131784e+00 -6.154131784e+00 2.66 -6.156331847e+00 -6.156331847e+00 2.68 -6.149481827e+00 -6.149481827e+00 2.70 -6.134312620e+00 -6.134312620e+00 2.72 -6.111509186e+00 -6.111509186e+00 2.74 -6.081713279e+00 -6.081713279e+00 2.76 -6.045525998e+00 -6.045525998e+00 2.78 -6.003510193e+00 -6.003510193e+00 2.80 -5.956192725e+00 -5.956192725e+00 2.82 -5.904066592e+00 -5.904066592e+00 2.84 -5.847592924e+00 -5.847592924e+00 2.86 -5.787202869e+00 -5.787202869e+00 2.88 -5.723299353e+00 -5.723299353e+00 2.90 -5.656258749e+00 -5.656258749e+00 2.92 -5.586432438e+00 -5.586432438e+00 2.94 -5.514148281e+00 -5.514148281e+00 2.96 -5.439712001e+00 -5.439712001e+00 2.98 -5.363408489e+00 -5.363408489e+00 3.00 -5.285503023e+00 -5.285503023e+00 3.02 -5.206242423e+00 -5.206242423e+00 3.04 -5.125856132e+00 -5.125856132e+00 3.06 -5.044557235e+00 -5.044557235e+00 3.08 -4.962543413e+00 -4.962543413e+00 3.10 -4.879997847e+00 -4.879997847e+00 3.12 -4.797090057e+00 -4.797090057e+00 3.14 -4.713976699e+00 -4.713976699e+00 3.16 -4.630802310e+00 -4.630802310e+00 3.18 -4.547700005e+00 -4.547700005e+00 3.20 -4.464792132e+00 -4.464792132e+00 3.22 -4.382190889e+00 -4.382190889e+00 3.24 -4.299998900e+00 -4.299998900e+00 3.26 -4.218309753e+00 -4.218309753e+00 3.28 -4.137208507e+00 -4.137208507e+00 3.30 -4.056772170e+00 -4.056772170e+00 3.32 -3.977070135e+00 -3.977070135e+00 3.34 -3.898164603e+00 -3.898164603e+00 3.36 -3.820110975e+00 -3.820110975e+00 3.38 -3.742958214e+00 -3.742958214e+00 3.40 -3.666749198e+00 -3.666749198e+00 3.42 -3.591521044e+00 -3.591521044e+00 3.44 -3.517305425e+00 -3.517305425e+00 3.46 -3.444128864e+00 -3.444128864e+00 3.48 -3.372013025e+00 -3.372013025e+00 3.50 -3.300974990e+00 -3.300974990e+00 3.52 -3.231027538e+00 -3.231027538e+00 3.54 -3.162179411e+00 -3.162179411e+00 3.56 -3.094435593e+00 -3.094435593e+00 3.58 -3.027797582e+00 -3.027797582e+00 3.60 -2.962263675e+00 -2.962263675e+00 3.62 -2.897829258e+00 -2.897829258e+00 3.64 -2.834487112e+00 -2.834487112e+00 3.66 -2.772227721e+00 -2.772227721e+00 3.68 -2.711039607e+00 -2.711039607e+00 3.70 -2.650909661e+00 -2.650909661e+00 3.72 -2.591823499e+00 -2.591823499e+00 3.74 -2.533765813e+00 -2.533765813e+00 3.76 -2.476720727e+00 -2.476720727e+00 3.78 -2.420672151e+00 -2.420672151e+00 3.80 -2.365604111e+00 -2.365604111e+00 3.82 -2.311501065e+00 -2.311501065e+00 3.84 -2.258348177e+00 -2.258348177e+00 3.86 -2.206131554e+00 -2.206131554e+00 3.88 -2.154838421e+00 -2.154838421e+00 3.90 -2.104457246e+00 -2.104457246e+00 3.92 -2.054977796e+00 -2.054977796e+00 3.94 -2.006391128e+00 -2.006391128e+00 3.96 -1.958689523e+00 -1.958689523e+00 3.98 -1.911866361e+00 -1.911866361e+00 4.00 -1.865915951e+00 -1.865915951e+00 4.02 -1.820833327e+00 -1.820833327e+00 4.04 -1.776614022e+00 -1.776614022e+00 4.06 -1.733253840e+00 -1.733253840e+00 4.08 -1.690748621e+00 -1.690748621e+00 4.10 -1.649094035e+00 -1.649094035e+00 4.12 -1.608285394e+00 -1.608285394e+00 4.14 -1.568317497e+00 -1.568317497e+00 4.16 -1.529184514e+00 -1.529184514e+00 4.18 -1.490879900e+00 -1.490879900e+00 4.20 -1.453396353e+00 -1.453396353e+00 4.22 -1.416725802e+00 -1.416725802e+00 4.24 -1.380859421e+00 -1.380859421e+00 4.26 -1.345631415e+00 -1.345631415e+00 4.28 -1.307933230e+00 -1.307933230e+00 4.30 -1.259710498e+00 -1.259710498e+00 4.32 -1.199877278e+00 -1.199877278e+00 4.34 -1.161550990e+00 -1.161550990e+00 4.36 -1.132134253e+00 -1.132134253e+00 4.38 -1.103383087e+00 -1.103383087e+00 4.40 -1.075286550e+00 -1.075286550e+00 4.42 -1.047833561e+00 -1.047833561e+00 4.44 -1.021012949e+00 -1.021012949e+00 4.46 -9.948134871e-01 -9.948134871e-01 4.48 -9.692239301e-01 -9.692239301e-01 4.50 -9.442330408e-01 -9.442330408e-01 4.52 -9.198296131e-01 -9.198296131e-01 4.54 -8.960024907e-01 -8.960024907e-01 4.56 -8.727405827e-01 -8.727405827e-01 4.58 -8.500328762e-01 -8.500328762e-01 4.60 -8.278684472e-01 -8.278684472e-01 4.62 -8.062364689e-01 -8.062364689e-01 4.64 -7.851262196e-01 -7.851262196e-01 4.66 -7.645270893e-01 -7.645270893e-01 4.68 -7.444285847e-01 -7.444285847e-01 4.70 -7.248203350e-01 -7.248203350e-01 4.72 -7.056920951e-01 -7.056920951e-01 4.74 -6.870337503e-01 -6.870337503e-01 4.76 -6.688353189e-01 -6.688353189e-01 4.78 -6.510869557e-01 -6.510869557e-01 4.80 -6.337789537e-01 -6.337789537e-01 4.82 -6.169017472e-01 -6.169017472e-01 4.84 -6.004459127e-01 -6.004459127e-01 4.86 -5.844021710e-01 -5.844021710e-01 4.88 -5.687613883e-01 -5.687613883e-01 4.90 -5.535145768e-01 -5.535145768e-01 4.92 -5.370900212e-01 -5.370900212e-01 4.94 -5.000559041e-01 -5.000559041e-01 4.96 -3.962660317e-01 -3.962660317e-01 4.98 -1.896663539e-01 -1.896663539e-01 5.00 -1.393548773e-23 -1.393543843e-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 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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