# 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 = AlWZr2 # 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 3.240817388e+02 3.240817388e+02 1.30 3.012987384e+02 3.012987384e+02 1.32 2.801612456e+02 2.801612456e+02 1.34 2.605414512e+02 2.605414512e+02 1.36 2.423223632e+02 2.423223632e+02 1.38 2.253967580e+02 2.253967580e+02 1.40 2.096657200e+02 2.096657200e+02 1.42 1.950367664e+02 1.950367664e+02 1.44 1.814225716e+02 1.814225716e+02 1.46 1.687412302e+02 1.687412302e+02 1.48 1.569177916e+02 1.569177916e+02 1.50 1.458856219e+02 1.458856219e+02 1.52 1.355865242e+02 1.355865242e+02 1.54 1.259696497e+02 1.259696497e+02 1.56 1.169900859e+02 1.169900859e+02 1.58 1.086076627e+02 1.086076627e+02 1.60 1.007858110e+02 1.007858110e+02 1.62 9.349030851e+01 9.349030851e+01 1.64 8.668819591e+01 8.668819591e+01 1.66 8.034718824e+01 8.034718824e+01 1.68 7.443571661e+01 7.443571661e+01 1.70 6.892349527e+01 6.892349527e+01 1.72 6.378207837e+01 6.378207837e+01 1.74 5.898516036e+01 5.898516036e+01 1.76 5.450853640e+01 5.450853640e+01 1.78 5.032992148e+01 5.032992148e+01 1.80 4.642870993e+01 4.642870993e+01 1.82 4.278578869e+01 4.278578869e+01 1.84 3.938331936e+01 3.938331936e+01 1.86 3.620470733e+01 3.620470733e+01 1.88 3.323461282e+01 3.323461282e+01 1.90 3.045896080e+01 3.045896080e+01 1.92 2.786483057e+01 2.786483057e+01 1.94 2.544028070e+01 2.544028070e+01 1.96 2.317417113e+01 2.317417113e+01 1.98 2.105647637e+01 2.105647637e+01 2.00 1.907875417e+01 1.907875417e+01 2.02 1.723226809e+01 1.723226809e+01 2.04 1.550874287e+01 1.550874287e+01 2.06 1.390131710e+01 1.390131710e+01 2.08 1.240309487e+01 1.240309487e+01 2.10 1.100669947e+01 1.100669947e+01 2.12 9.704945029e+00 9.704945029e+00 2.14 8.490920038e+00 8.490920038e+00 2.16 7.358135083e+00 7.358135083e+00 2.18 6.300638334e+00 6.300638334e+00 2.20 5.313079073e+00 5.313079073e+00 2.22 4.390677532e+00 4.390677532e+00 2.24 3.529166137e+00 3.529166137e+00 2.26 2.724727893e+00 2.724727893e+00 2.28 1.973932274e+00 1.973932274e+00 2.30 1.273717887e+00 1.273717887e+00 2.32 6.213113633e-01 6.213113633e-01 2.34 1.420479686e-02 1.420479686e-02 2.36 -5.499288292e-01 -5.499288292e-01 2.38 -1.073289618e+00 -1.073289618e+00 2.40 -1.558002174e+00 -1.558002174e+00 2.42 -2.006162674e+00 -2.006162674e+00 2.44 -2.419858527e+00 -2.419858527e+00 2.46 -2.801184524e+00 -2.801184524e+00 2.48 -3.152231145e+00 -3.152231145e+00 2.50 -3.475057548e+00 -3.475057548e+00 2.52 -3.771655585e+00 -3.771655585e+00 2.54 -4.043914755e+00 -4.043914755e+00 2.56 -4.293596302e+00 -4.293596302e+00 2.58 -4.522320776e+00 -4.522320776e+00 2.60 -4.731568470e+00 -4.731568470e+00 2.62 -4.922684652e+00 -4.922684652e+00 2.64 -5.096904099e+00 -5.096904099e+00 2.66 -5.255338077e+00 -5.255338077e+00 2.68 -5.398999634e+00 -5.398999634e+00 2.70 -5.528809414e+00 -5.528809414e+00 2.72 -5.645607994e+00 -5.645607994e+00 2.74 -5.750168496e+00 -5.750168496e+00 2.76 -5.843181501e+00 -5.843181501e+00 2.78 -5.925273924e+00 -5.925273924e+00 2.80 -5.997111611e+00 -5.997111611e+00 2.82 -6.059345001e+00 -6.059345001e+00 2.84 -6.112603868e+00 -6.112603868e+00 2.86 -6.157297125e+00 -6.157297125e+00 2.88 -6.193805740e+00 -6.193805740e+00 2.90 -6.222494180e+00 -6.222494180e+00 2.92 -6.243712288e+00 -6.243712288e+00 2.94 -6.257798302e+00 -6.257798302e+00 2.96 -6.265070652e+00 -6.265070652e+00 2.98 -6.265741386e+00 -6.265741386e+00 3.00 -6.259938829e+00 -6.259938829e+00 3.02 -6.247627650e+00 -6.247627650e+00 3.04 -6.228785044e+00 -6.228785044e+00 3.06 -6.203463081e+00 -6.203463081e+00 3.08 -6.171754058e+00 -6.171754058e+00 3.10 -6.133795134e+00 -6.133795134e+00 3.12 -6.089929472e+00 -6.089929472e+00 3.14 -6.041068571e+00 -6.041068571e+00 3.16 -5.987122225e+00 -5.987122225e+00 3.18 -5.927982437e+00 -5.927982437e+00 3.20 -5.863646715e+00 -5.863646715e+00 3.22 -5.794199801e+00 -5.794199801e+00 3.24 -5.719799261e+00 -5.719799261e+00 3.26 -5.640665274e+00 -5.640665274e+00 3.28 -5.557075129e+00 -5.557075129e+00 3.30 -5.469366026e+00 -5.469366026e+00 3.32 -5.377919595e+00 -5.377919595e+00 3.34 -5.283147318e+00 -5.283147318e+00 3.36 -5.185481327e+00 -5.185481327e+00 3.38 -5.085365210e+00 -5.085365210e+00 3.40 -4.983245101e+00 -4.983245101e+00 3.42 -4.879571374e+00 -4.879571374e+00 3.44 -4.774785762e+00 -4.774785762e+00 3.46 -4.669326525e+00 -4.669326525e+00 3.48 -4.563623433e+00 -4.563623433e+00 3.50 -4.458092675e+00 -4.458092675e+00 3.52 -4.353129657e+00 -4.353129657e+00 3.54 -4.249100451e+00 -4.249100451e+00 3.56 -4.146333114e+00 -4.146333114e+00 3.58 -4.045110165e+00 -4.045110165e+00 3.60 -3.945663267e+00 -3.945663267e+00 3.62 -3.848170731e+00 -3.848170731e+00 3.64 -3.752757985e+00 -3.752757985e+00 3.66 -3.659500797e+00 -3.659500797e+00 3.68 -3.568430758e+00 -3.568430758e+00 3.70 -3.479542428e+00 -3.479542428e+00 3.72 -3.392801535e+00 -3.392801535e+00 3.74 -3.308153620e+00 -3.308153620e+00 3.76 -3.225532611e+00 -3.225532611e+00 3.78 -3.144868799e+00 -3.144868799e+00 3.80 -3.066095698e+00 -3.066095698e+00 3.82 -2.989155235e+00 -2.989155235e+00 3.84 -2.914000804e+00 -2.914000804e+00 3.86 -2.840597848e+00 -2.840597848e+00 3.88 -2.768921962e+00 -2.768921962e+00 3.90 -2.698954937e+00 -2.698954937e+00 3.92 -2.630676144e+00 -2.630676144e+00 3.94 -2.564071694e+00 -2.564071694e+00 3.96 -2.499107324e+00 -2.499107324e+00 3.98 -2.435741991e+00 -2.435741991e+00 4.00 -2.373923134e+00 -2.373923134e+00 4.02 -2.313588128e+00 -2.313588128e+00 4.04 -2.254667060e+00 -2.254667060e+00 4.06 -2.197086192e+00 -2.197086192e+00 4.08 -2.140771488e+00 -2.140771488e+00 4.10 -2.085643176e+00 -2.085643176e+00 4.12 -2.031654528e+00 -2.031654528e+00 4.14 -1.978736892e+00 -1.978736892e+00 4.16 -1.926841272e+00 -1.926841272e+00 4.18 -1.875928649e+00 -1.875928649e+00 4.20 -1.825970552e+00 -1.825970552e+00 4.22 -1.776949212e+00 -1.776949212e+00 4.24 -1.728857312e+00 -1.728857312e+00 4.26 -1.681697270e+00 -1.681697270e+00 4.28 -1.635480013e+00 -1.635480013e+00 4.30 -1.590223245e+00 -1.590223245e+00 4.32 -1.545949246e+00 -1.545949246e+00 4.34 -1.502682344e+00 -1.502682344e+00 4.36 -1.460446234e+00 -1.460446234e+00 4.38 -1.419261404e+00 -1.419261404e+00 4.40 -1.379142884e+00 -1.379142884e+00 4.42 -1.340098539e+00 -1.340098539e+00 4.44 -1.302127997e+00 -1.302127997e+00 4.46 -1.265222279e+00 -1.265222279e+00 4.48 -1.229364035e+00 -1.229364035e+00 4.50 -1.194528294e+00 -1.194528294e+00 4.52 -1.160683544e+00 -1.160683544e+00 4.54 -1.127793003e+00 -1.127793003e+00 4.56 -1.095815932e+00 -1.095815932e+00 4.58 -1.064708887e+00 -1.064708887e+00 4.60 -1.034426842e+00 -1.034426842e+00 4.62 -1.004924163e+00 -1.004924163e+00 4.64 -9.761554343e-01 -9.761554343e-01 4.66 -9.480761437e-01 -9.480761437e-01 4.68 -9.206432804e-01 -9.206432804e-01 4.70 -8.938158636e-01 -8.938158636e-01 4.72 -8.675554439e-01 -8.675554439e-01 4.74 -8.418266019e-01 -8.418266019e-01 4.76 -8.165974593e-01 -8.165974593e-01 4.78 -7.918402074e-01 -7.918402074e-01 4.80 -7.675255687e-01 -7.675255687e-01 4.82 -7.436486247e-01 -7.436486247e-01 4.84 -7.201895842e-01 -7.201895842e-01 4.86 -6.971418742e-01 -6.971418742e-01 4.88 -6.745049974e-01 -6.745049974e-01 4.90 -6.522844695e-01 -6.522844695e-01 4.92 -6.304914720e-01 -6.304914720e-01 4.94 -6.091421879e-01 -6.091421879e-01 4.96 -5.882568151e-01 -5.882568151e-01 4.98 -5.678582911e-01 -5.678582911e-01 5.00 -5.479707953e-01 -5.479707953e-01 5.02 -5.286181327e-01 -5.286181327e-01 5.04 -5.098221214e-01 -5.098221214e-01 5.06 -4.916011145e-01 -4.916011145e-01 5.08 -4.739687740e-01 -4.739687740e-01 5.10 -4.569331878e-01 -4.569331878e-01 5.12 -4.404963817e-01 -4.404963817e-01 5.14 -4.246542366e-01 -4.246542366e-01 5.16 -4.093967823e-01 -4.093967823e-01 5.18 -3.947088092e-01 -3.947088092e-01 5.20 -3.805707208e-01 -3.805707208e-01 5.22 -3.669595433e-01 -3.669595433e-01 5.24 -3.538500136e-01 -3.538500136e-01 5.26 -3.412156754e-01 -3.412156754e-01 5.28 -3.290299277e-01 -3.290299277e-01 5.30 -3.172669831e-01 -3.172669831e-01 5.32 -3.059027024e-01 -3.059027024e-01 5.34 -2.949152822e-01 -2.949152822e-01 5.36 -2.842857753e-01 -2.842857753e-01 5.38 -2.739984290e-01 -2.739984290e-01 5.40 -2.640408276e-01 -2.640408276e-01 5.42 -2.544038338e-01 -2.544038338e-01 5.44 -2.450813310e-01 -2.450813310e-01 5.46 -2.360697794e-01 -2.360697794e-01 5.48 -2.273676179e-01 -2.273676179e-01 5.50 -2.189745534e-01 -2.189745534e-01 5.52 -2.108907953e-01 -2.108907953e-01 5.54 -2.031163015e-01 -2.031163015e-01 5.56 -1.956500968e-01 -1.956500968e-01 5.58 -1.884897189e-01 -1.884897189e-01 5.60 -1.816308268e-01 -1.816308268e-01 5.62 -1.750666806e-01 -1.750666806e-01 5.64 -1.687887417e-01 -1.687887417e-01 5.66 -1.627867174e-01 -1.627867174e-01 5.68 -1.570484792e-01 -1.570484792e-01 5.70 -1.515604124e-01 -1.515604124e-01 5.72 -1.463078007e-01 -1.463078007e-01 5.74 -1.412752093e-01 -1.412752093e-01 5.76 -1.364468397e-01 -1.364468397e-01 5.78 -1.318068374e-01 -1.318068374e-01 5.80 -1.273395449e-01 -1.273395449e-01 5.82 -1.230296972e-01 -1.230296972e-01 5.84 -1.188625643e-01 -1.188625643e-01 5.86 -1.148240481e-01 -1.148240481e-01 5.88 -1.109007430e-01 -1.109007430e-01 5.90 -1.070799697e-01 -1.070799697e-01 5.92 -1.033497925e-01 -1.033497925e-01 5.94 -9.969902979e-02 -9.969902979e-02 5.96 -9.611726288e-02 -9.611726288e-02 5.98 -9.259485323e-02 -9.259485323e-02 6.00 -8.912297055e-02 -8.912297055e-02