# 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 = AgPdW2 # 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 4.264825639e+02 4.264825639e+02 1.30 3.948920486e+02 3.948920486e+02 1.32 3.656804137e+02 3.656804137e+02 1.34 3.386491706e+02 3.386491706e+02 1.36 3.136192202e+02 3.136192202e+02 1.38 2.904287040e+02 2.904287040e+02 1.40 2.689316993e+02 2.689316993e+02 1.42 2.489966375e+02 2.489966375e+02 1.44 2.305043474e+02 2.305043474e+02 1.46 2.133460539e+02 2.133460539e+02 1.48 1.974216677e+02 1.974216677e+02 1.50 1.826386869e+02 1.826386869e+02 1.52 1.689117516e+02 1.689117516e+02 1.54 1.561624705e+02 1.561624705e+02 1.56 1.443190733e+02 1.443190733e+02 1.58 1.333157320e+02 1.333157320e+02 1.60 1.230917084e+02 1.230917084e+02 1.62 1.135905734e+02 1.135905734e+02 1.64 1.047596311e+02 1.047596311e+02 1.66 9.654953417e+01 9.654953417e+01 1.68 8.891406837e+01 8.891406837e+01 1.70 8.181011283e+01 8.181011283e+01 1.72 7.519775775e+01 7.519775775e+01 1.74 6.904051278e+01 6.904051278e+01 1.76 6.330550756e+01 6.330550756e+01 1.78 5.796355124e+01 5.796355124e+01 1.80 5.298891278e+01 5.298891278e+01 1.82 4.835940356e+01 4.835940356e+01 1.84 4.405524382e+01 4.405524382e+01 1.86 4.005705472e+01 4.005705472e+01 1.88 3.634672461e+01 3.634672461e+01 1.90 3.291960536e+01 3.291960536e+01 1.92 2.976189501e+01 2.976189501e+01 1.94 2.685346657e+01 2.685346657e+01 1.96 2.417534860e+01 2.417534860e+01 1.98 2.170977328e+01 2.170977328e+01 2.00 1.944014647e+01 1.944014647e+01 2.02 1.735098185e+01 1.735098185e+01 2.04 1.542781974e+01 1.542781974e+01 2.06 1.365713563e+01 1.365713563e+01 2.08 1.202625071e+01 1.202625071e+01 2.10 1.052327130e+01 1.052327130e+01 2.12 9.137083238e+00 9.137083238e+00 2.14 7.857404790e+00 7.857404790e+00 2.16 6.674872849e+00 6.674872849e+00 2.18 5.581120023e+00 5.581120023e+00 2.20 4.568803384e+00 4.568803384e+00 2.22 3.631565467e+00 3.631565467e+00 2.24 2.763932318e+00 2.763932318e+00 2.26 1.961170820e+00 1.961170820e+00 2.28 1.219133203e+00 1.219133203e+00 2.30 5.341120862e-01 5.341120862e-01 2.32 -9.727994013e-02 -9.727994013e-02 2.34 -6.782012809e-01 -6.782012809e-01 2.36 -1.211644126e+00 -1.211644126e+00 2.38 -1.700473420e+00 -1.700473420e+00 2.40 -2.147447535e+00 -2.147447535e+00 2.42 -2.555140083e+00 -2.555140083e+00 2.44 -2.926025777e+00 -2.926025777e+00 2.46 -3.262752101e+00 -3.262752101e+00 2.48 -3.567829402e+00 -3.567829402e+00 2.50 -3.843611219e+00 -3.843611219e+00 2.52 -4.092280276e+00 -4.092280276e+00 2.54 -4.315834307e+00 -4.315834307e+00 2.56 -4.516076356e+00 -4.516076356e+00 2.58 -4.694368208e+00 -4.694368208e+00 2.60 -4.851457851e+00 -4.851457851e+00 2.62 -4.988037027e+00 -4.988037027e+00 2.64 -5.104806674e+00 -5.104806674e+00 2.66 -5.202471881e+00 -5.202471881e+00 2.68 -5.281738080e+00 -5.281738080e+00 2.70 -5.343308778e+00 -5.343308778e+00 2.72 -5.387885285e+00 -5.387885285e+00 2.74 -5.416168309e+00 -5.416168309e+00 2.76 -5.428860878e+00 -5.428860878e+00 2.78 -5.426672229e+00 -5.426672229e+00 2.80 -5.410322921e+00 -5.410322921e+00 2.82 -5.380551895e+00 -5.380551895e+00 2.84 -5.338126183e+00 -5.338126183e+00 2.86 -5.283853288e+00 -5.283853288e+00 2.88 -5.218595167e+00 -5.218595167e+00 2.90 -5.143281470e+00 -5.143281470e+00 2.92 -5.059151927e+00 -5.059151927e+00 2.94 -4.967413181e+00 -4.967413181e+00 2.96 -4.869045226e+00 -4.869045226e+00 2.98 -4.765110986e+00 -4.765110986e+00 3.00 -4.656722142e+00 -4.656722142e+00 3.02 -4.544996093e+00 -4.544996093e+00 3.04 -4.431008217e+00 -4.431008217e+00 3.06 -4.315744944e+00 -4.315744944e+00 3.08 -4.200085554e+00 -4.200085554e+00 3.10 -4.084788841e+00 -4.084788841e+00 3.12 -3.970499885e+00 -3.970499885e+00 3.14 -3.857645688e+00 -3.857645688e+00 3.16 -3.746289126e+00 -3.746289126e+00 3.18 -3.636356779e+00 -3.636356779e+00 3.20 -3.527669688e+00 -3.527669688e+00 3.22 -3.419973510e+00 -3.419973510e+00 3.24 -3.312969846e+00 -3.312969846e+00 3.26 -3.206356190e+00 -3.206356190e+00 3.28 -3.099860353e+00 -3.099860353e+00 3.30 -2.993249577e+00 -2.993249577e+00 3.32 -2.886351152e+00 -2.886351152e+00 3.34 -2.779071097e+00 -2.779071097e+00 3.36 -2.671408620e+00 -2.671408620e+00 3.38 -2.563465603e+00 -2.563465603e+00 3.40 -2.455450232e+00 -2.455450232e+00 3.42 -2.347673928e+00 -2.347673928e+00 3.44 -2.240541077e+00 -2.240541077e+00 3.46 -2.134531655e+00 -2.134531655e+00 3.48 -2.030177648e+00 -2.030177648e+00 3.50 -1.928034994e+00 -1.928034994e+00 3.52 -1.828653487e+00 -1.828653487e+00 3.54 -1.732547443e+00 -1.732547443e+00 3.56 -1.640169871e+00 -1.640169871e+00 3.58 -1.551892368e+00 -1.551892368e+00 3.60 -1.467992157e+00 -1.467992157e+00 3.62 -1.388646682e+00 -1.388646682e+00 3.64 -1.313935262e+00 -1.313935262e+00 3.66 -1.243846591e+00 -1.243846591e+00 3.68 -1.178290451e+00 -1.178290451e+00 3.70 -1.117111900e+00 -1.117111900e+00 3.72 -1.060106331e+00 -1.060106331e+00 3.74 -1.007034103e+00 -1.007034103e+00 3.76 -9.576338187e-01 -9.576338187e-01 3.78 -9.116336988e-01 -9.116336988e-01 3.80 -8.687608261e-01 -8.687608261e-01 3.82 -8.287482687e-01 -8.287482687e-01 3.84 -7.913402715e-01 -7.913402715e-01 3.86 -7.562957900e-01 -7.562957900e-01 3.88 -7.233906818e-01 -7.233906818e-01 3.90 -6.924188652e-01 -6.924188652e-01 3.92 -6.631927271e-01 -6.631927271e-01 3.94 -6.355430148e-01 -6.355430148e-01 3.96 -6.093183902e-01 -6.093183902e-01 3.98 -5.843847815e-01 -5.843847815e-01 4.00 -5.606246037e-01 -5.606246037e-01 4.02 -5.379358823e-01 -5.379358823e-01 4.04 -5.162312741e-01 -5.162312741e-01 4.06 -4.954369594e-01 -4.954369594e-01 4.08 -4.754913697e-01 -4.754913697e-01 4.10 -4.563437264e-01 -4.563437264e-01 4.12 -4.379524090e-01 -4.379524090e-01 4.14 -4.202831703e-01 -4.202831703e-01 4.16 -4.033073246e-01 -4.033073246e-01 4.18 -3.869999949e-01 -3.869999949e-01 4.20 -3.713385549e-01 -3.713385549e-01 4.22 -3.563013624e-01 -3.563013624e-01 4.24 -3.418668430e-01 -3.418668430e-01 4.26 -3.280129228e-01 -3.280129228e-01 4.28 -3.147167589e-01 -3.147167589e-01 4.30 -3.019546812e-01 -3.019546812e-01 4.32 -2.897022506e-01 -2.897022506e-01 4.34 -2.779343334e-01 -2.779343334e-01 4.36 -2.666249243e-01 -2.666249243e-01 4.38 -2.557479488e-01 -2.557479488e-01 4.40 -2.452768444e-01 -2.452768444e-01 4.42 -2.351844637e-01 -2.351844637e-01 4.44 -2.254432291e-01 -2.254432291e-01 4.46 -2.160253509e-01 -2.160253509e-01 4.48 -2.069030436e-01 -2.069030436e-01 4.50 -1.980490841e-01 -1.980490841e-01 4.52 -1.894372832e-01 -1.894372832e-01 4.54 -1.810428972e-01 -1.810428972e-01 4.56 -1.728431998e-01 -1.728431998e-01 4.58 -1.648180532e-01 -1.648180532e-01 4.60 -1.569504493e-01 -1.569504493e-01 4.62 -1.492269881e-01 -1.492269881e-01 4.64 -1.416382604e-01 -1.416382604e-01 4.66 -1.341790991e-01 -1.341790991e-01 4.68 -1.268486651e-01 -1.268486651e-01 4.70 -1.196503400e-01 -1.196503400e-01 4.72 -1.125914057e-01 -1.125914057e-01 4.74 -1.056825147e-01 -1.056825147e-01 4.76 -9.893697042e-02 -9.893697042e-02 4.78 -9.236986650e-02 -9.236986650e-02 4.80 -8.599715179e-02 -8.599715179e-02 4.82 -7.983470609e-02 -7.983470609e-02 4.84 -7.389749679e-02 -7.389749679e-02 4.86 -6.819890064e-02 -6.819890064e-02 4.88 -6.275022292e-02 -6.275022292e-02 4.90 -5.756043220e-02 -5.756043220e-02 4.92 -5.263609185e-02 -5.263609185e-02 4.94 -4.798144509e-02 -4.798144509e-02 4.96 -4.359859613e-02 -4.359859613e-02 4.98 -3.948772852e-02 -3.948772852e-02 5.00 -3.564731133e-02 -3.564731133e-02 5.02 -3.207426212e-02 -3.207426212e-02 5.04 -2.876405335e-02 -2.876405335e-02 5.06 -2.571077341e-02 -2.571077341e-02 5.08 -2.290716035e-02 -2.290716035e-02 5.10 -2.034463468e-02 -2.034463468e-02 5.12 -1.801335217e-02 -1.801335217e-02 5.14 -1.590200799e-02 -1.590200799e-02 5.16 -1.399861232e-02 -1.399861232e-02 5.18 -1.229054281e-02 -1.229054281e-02 5.20 -1.076449734e-02 -1.076449734e-02 5.22 -9.406774528e-03 -9.406774528e-03 5.24 -8.203550564e-03 -8.203550564e-03 5.26 -7.141136877e-03 -7.141136877e-03 5.28 -6.206206669e-03 -6.206206669e-03 5.30 -5.385982382e-03 -5.385982382e-03 5.32 -4.668380562e-03 -4.668380562e-03 5.34 -4.042114280e-03 -4.042114280e-03 5.36 -3.496756133e-03 -3.496756133e-03 5.38 -3.022766735e-03 -3.022766735e-03 5.40 -2.611494550e-03 -2.611494550e-03 5.42 -2.255153219e-03 -2.255153219e-03 5.44 -1.946782177e-03 -1.946782177e-03 5.46 -1.680195805e-03 -1.680195805e-03 5.48 -1.449925517e-03 -1.449925517e-03 5.50 -1.251158373e-03 -1.251158373e-03 5.52 -1.079675000e-03 -1.079675000e-03 5.54 -9.317888507e-04 -9.317888507e-04 5.56 -8.042882634e-04 -8.042882634e-04 5.58 -6.943822308e-04 -6.943822308e-04 5.60 -5.996504270e-04 -5.996504270e-04 5.62 -5.179977218e-04 -5.179977218e-04 5.64 -4.476132012e-04 -4.476132012e-04 5.66 -3.869335548e-04 -3.869335548e-04 5.68 -3.346105943e-04 -3.346105943e-04 5.70 -2.894826052e-04 -2.894826052e-04 5.72 -2.505492018e-04 -2.505492018e-04 5.74 -2.169493503e-04 -2.169493503e-04 5.76 -1.879422243e-04 -1.879422243e-04 5.78 -1.628905788e-04 -1.628905788e-04 5.80 -1.412463455e-04 -1.412463455e-04 5.82 -1.225381779e-04 -1.225381779e-04 5.84 -1.063607007e-04 -1.063607007e-04 5.86 -9.236524359e-05 -9.236524359e-05 5.88 -8.025186278e-05 -8.025186278e-05 5.90 -6.976247851e-05 -6.976247851e-05 5.92 -6.067497622e-05 -6.067497622e-05 5.94 -5.279813900e-05 -5.279813900e-05 5.96 -4.596729620e-05 -4.596729620e-05 5.98 -4.004058791e-05 -4.004058791e-05 6.00 -3.489575883e-05 -3.489575883e-05