# 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 = AgMo2Ni # 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 2.473209923e+02 2.473209923e+02 1.30 2.284472353e+02 2.284472353e+02 1.32 2.110247147e+02 2.110247147e+02 1.34 1.949277643e+02 1.949277643e+02 1.36 1.800407310e+02 1.800407310e+02 1.38 1.662588437e+02 1.662588437e+02 1.40 1.534885216e+02 1.534885216e+02 1.42 1.416469391e+02 1.416469391e+02 1.44 1.306609050e+02 1.306609050e+02 1.46 1.204653235e+02 1.204653235e+02 1.48 1.110017435e+02 1.110017435e+02 1.50 1.022173525e+02 1.022173525e+02 1.52 9.406436733e+01 9.406436733e+01 1.54 8.649951791e+01 8.649951791e+01 1.56 7.948336694e+01 7.948336694e+01 1.58 7.297947938e+01 7.297947938e+01 1.60 6.695367277e+01 6.695367277e+01 1.62 6.137352928e+01 6.137352928e+01 1.64 5.620814034e+01 5.620814034e+01 1.66 5.142795721e+01 5.142795721e+01 1.68 4.700469899e+01 4.700469899e+01 1.70 4.291134277e+01 4.291134277e+01 1.72 3.912265978e+01 3.912265978e+01 1.74 3.561890507e+01 3.561890507e+01 1.76 3.237810394e+01 3.237810394e+01 1.78 2.937995046e+01 2.937995046e+01 1.80 2.660545981e+01 2.660545981e+01 1.82 2.403674234e+01 2.403674234e+01 1.84 2.165793392e+01 2.165793392e+01 1.86 1.945513481e+01 1.945513481e+01 1.88 1.741618449e+01 1.741618449e+01 1.90 1.553031802e+01 1.553031802e+01 1.92 1.378778712e+01 1.378778712e+01 1.94 1.217952926e+01 1.217952926e+01 1.96 1.069693768e+01 1.069693768e+01 1.98 9.331739360e+00 9.331739360e+00 2.00 8.075948341e+00 8.075948341e+00 2.02 6.921849785e+00 6.921849785e+00 2.04 5.861985614e+00 5.861985614e+00 2.06 4.889138152e+00 4.889138152e+00 2.08 3.996326540e+00 3.996326540e+00 2.10 3.176834632e+00 3.176834632e+00 2.12 2.424278298e+00 2.424278298e+00 2.14 1.732701206e+00 1.732701206e+00 2.16 1.096672161e+00 1.096672161e+00 2.18 5.113532552e-01 5.113532552e-01 2.20 -2.748212103e-02 -2.748212103e-02 2.22 -5.234849926e-01 -5.234849926e-01 2.24 -9.798081157e-01 -9.798081157e-01 2.26 -1.399204909e+00 -1.399204909e+00 2.28 -1.784130684e+00 -1.784130684e+00 2.30 -2.136831821e+00 -2.136831821e+00 2.32 -2.459413189e+00 -2.459413189e+00 2.34 -2.753877375e+00 -2.753877375e+00 2.36 -3.022134193e+00 -3.022134193e+00 2.38 -3.265986988e+00 -3.265986988e+00 2.40 -3.487109820e+00 -3.487109820e+00 2.42 -3.687030772e+00 -3.687030772e+00 2.44 -3.867080086e+00 -3.867080086e+00 2.46 -4.028254208e+00 -4.028254208e+00 2.48 -4.171904112e+00 -4.171904112e+00 2.50 -4.299312786e+00 -4.299312786e+00 2.52 -4.411627066e+00 -4.411627066e+00 2.54 -4.509879518e+00 -4.509879518e+00 2.56 -4.595005331e+00 -4.595005331e+00 2.58 -4.667856301e+00 -4.667856301e+00 2.60 -4.729180092e+00 -4.729180092e+00 2.62 -4.779317614e+00 -4.779317614e+00 2.64 -4.818418813e+00 -4.818418813e+00 2.66 -4.846683427e+00 -4.846683427e+00 2.68 -4.864355552e+00 -4.864355552e+00 2.70 -4.871720428e+00 -4.871720428e+00 2.72 -4.869100047e+00 -4.869100047e+00 2.74 -4.856848753e+00 -4.856848753e+00 2.76 -4.835348106e+00 -4.835348106e+00 2.78 -4.805001388e+00 -4.805001388e+00 2.80 -4.766229435e+00 -4.766229435e+00 2.82 -4.719429792e+00 -4.719429792e+00 2.84 -4.664940142e+00 -4.664940142e+00 2.86 -4.603145282e+00 -4.603145282e+00 2.88 -4.534500322e+00 -4.534500322e+00 2.90 -4.459537988e+00 -4.459537988e+00 2.92 -4.378872525e+00 -4.378872525e+00 2.94 -4.293197087e+00 -4.293197087e+00 2.96 -4.203272367e+00 -4.203272367e+00 2.98 -4.109907070e+00 -4.109907070e+00 3.00 -4.014018429e+00 -4.014018429e+00 3.02 -3.916386050e+00 -3.916386050e+00 3.04 -3.817656443e+00 -3.817656443e+00 3.06 -3.718404250e+00 -3.718404250e+00 3.08 -3.619103779e+00 -3.619103779e+00 3.10 -3.520110739e+00 -3.520110739e+00 3.12 -3.421655276e+00 -3.421655276e+00 3.14 -3.323846805e+00 -3.323846805e+00 3.16 -3.226696168e+00 -3.226696168e+00 3.18 -3.130129923e+00 -3.130129923e+00 3.20 -3.034007235e+00 -3.034007235e+00 3.22 -2.938145220e+00 -2.938145220e+00 3.24 -2.842344302e+00 -2.842344302e+00 3.26 -2.746412352e+00 -2.746412352e+00 3.28 -2.650186880e+00 -2.650186880e+00 3.30 -2.553554813e+00 -2.553554813e+00 3.32 -2.456469366e+00 -2.456469366e+00 3.34 -2.358963365e+00 -2.358963365e+00 3.36 -2.261158220e+00 -2.261158220e+00 3.38 -2.163267577e+00 -2.163267577e+00 3.40 -2.065594832e+00 -2.065594832e+00 3.42 -1.968523970e+00 -1.968523970e+00 3.44 -1.872503840e+00 -1.872503840e+00 3.46 -1.778026705e+00 -1.778026705e+00 3.48 -1.685602744e+00 -1.685602744e+00 3.50 -1.595732775e+00 -1.595732775e+00 3.52 -1.508881816e+00 -1.508881816e+00 3.54 -1.425455987e+00 -1.425455987e+00 3.56 -1.345784757e+00 -1.345784757e+00 3.58 -1.270109779e+00 -1.270109779e+00 3.60 -1.198580636e+00 -1.198580636e+00 3.62 -1.131257012e+00 -1.131257012e+00 3.64 -1.068116174e+00 -1.068116174e+00 3.66 -1.009064279e+00 -1.009064279e+00 3.68 -9.539499687e-01 -9.539499687e-01 3.70 -9.025787976e-01 -9.025787976e-01 3.72 -8.547273348e-01 -8.547273348e-01 3.74 -8.101560762e-01 -8.101560762e-01 3.76 -7.686206049e-01 -7.686206049e-01 3.78 -7.298806885e-01 -7.298806885e-01 3.80 -6.937071895e-01 -6.937071895e-01 3.82 -6.598867994e-01 -6.598867994e-01 3.84 -6.282247053e-01 -6.282247053e-01 3.86 -5.985453904e-01 -5.985453904e-01 3.88 -5.706918621e-01 -5.706918621e-01 3.90 -5.445236931e-01 -5.445236931e-01 3.92 -5.199143347e-01 -5.199143347e-01 3.94 -4.967481870e-01 -4.967481870e-01 3.96 -4.749178602e-01 -4.749178602e-01 3.98 -4.543219623e-01 -4.543219623e-01 4.00 -4.348635831e-01 -4.348635831e-01 4.02 -4.164494922e-01 -4.164494922e-01 4.04 -3.989899411e-01 -3.989899411e-01 4.06 -3.823988930e-01 -3.823988930e-01 4.08 -3.665944849e-01 -3.665944849e-01 4.10 -3.514995600e-01 -3.514995600e-01 4.12 -3.370421734e-01 -3.370421734e-01 4.14 -3.231559412e-01 -3.231559412e-01 4.16 -3.097801171e-01 -3.097801171e-01 4.18 -2.968606047e-01 -2.968606047e-01 4.20 -2.843494787e-01 -2.843494787e-01 4.22 -2.722049899e-01 -2.722049899e-01 4.24 -2.603916736e-01 -2.603916736e-01 4.26 -2.488804025e-01 -2.488804025e-01 4.28 -2.376483912e-01 -2.376483912e-01 4.30 -2.266791488e-01 -2.266791488e-01 4.32 -2.159623668e-01 -2.159623668e-01 4.34 -2.054937253e-01 -2.054937253e-01 4.36 -1.952745948e-01 -1.952745948e-01 4.38 -1.853116074e-01 -1.853116074e-01 4.40 -1.756160660e-01 -1.756160660e-01 4.42 -1.662031606e-01 -1.662031606e-01 4.44 -1.570909682e-01 -1.570909682e-01 4.46 -1.482992307e-01 -1.482992307e-01 4.48 -1.398477687e-01 -1.398477687e-01 4.50 -1.317553675e-01 -1.317553675e-01 4.52 -1.240381394e-01 -1.240381394e-01 4.54 -1.167079870e-01 -1.167079870e-01 4.56 -1.097715400e-01 -1.097715400e-01 4.58 -1.032294840e-01 -1.032294840e-01 4.60 -9.707634570e-02 -9.707634570e-02 4.62 -9.130073326e-02 -9.130073326e-02 4.64 -8.588597522e-02 -8.588597522e-02 4.66 -8.081105911e-02 -8.081105911e-02 4.68 -7.605175038e-02 -7.605175038e-02 4.70 -7.158177555e-02 -7.158177555e-02 4.72 -6.737397128e-02 -6.737397128e-02 4.74 -6.340132869e-02 -6.340132869e-02 4.76 -5.963789079e-02 -5.963789079e-02 4.78 -5.605948556e-02 -5.605948556e-02 4.80 -5.264429447e-02 -5.264429447e-02 4.82 -4.937326927e-02 -4.937326927e-02 4.84 -4.623040672e-02 -4.623040672e-02 4.86 -4.320290199e-02 -4.320290199e-02 4.88 -4.028118012e-02 -4.028118012e-02 4.90 -3.745881956e-02 -3.745881956e-02 4.92 -3.473236818e-02 -3.473236818e-02 4.94 -3.210105652e-02 -3.210105652e-02 4.96 -2.956640551e-02 -2.956640551e-02 4.98 -2.713175648e-02 -2.713175648e-02 5.00 -2.480173515e-02 -2.480173515e-02 5.02 -2.258167472e-02 -2.258167472e-02 5.04 -2.047703546e-02 -2.047703546e-02 5.06 -1.849285863e-02 -1.849285863e-02 5.08 -1.663323530e-02 -1.663323530e-02 5.10 -1.490074842e-02 -1.490074842e-02 5.12 -1.329688779e-02 -1.329688779e-02 5.14 -1.182151497e-02 -1.182151497e-02 5.16 -1.047278101e-02 -1.047278101e-02 5.18 -9.247240104e-03 -9.247240104e-03 5.20 -8.140046100e-03 -8.140046100e-03 5.22 -7.145203801e-03 -7.145203801e-03 5.24 -6.255847490e-03 -6.255847490e-03 5.26 -5.464522207e-03 -5.464522207e-03 5.28 -4.763448521e-03 -4.763448521e-03 5.30 -4.144757319e-03 -4.144757319e-03 5.32 -3.600686844e-03 -3.600686844e-03 5.34 -3.123739013e-03 -3.123739013e-03 5.36 -2.706795844e-03 -2.706795844e-03 5.38 -2.343199346e-03 -2.343199346e-03 5.40 -2.026799778e-03 -2.026799778e-03 5.42 -1.751977787e-03 -1.751977787e-03 5.44 -1.513645993e-03 -1.513645993e-03 5.46 -1.307235146e-03 -1.307235146e-03 5.48 -1.128669366e-03 -1.128669366e-03 5.50 -9.743342197e-04 -9.743342197e-04 5.52 -8.410406632e-04 -8.410406632e-04 5.54 -7.259871675e-04 -7.259871675e-04 5.56 -6.267217659e-04 -6.267217659e-04 5.58 -5.411052381e-04 -5.411052381e-04 5.60 -4.672762542e-04 -4.672762542e-04 5.62 -4.036189766e-04 -4.036189766e-04 5.64 -3.487333819e-04 -3.487333819e-04 5.66 -3.014083905e-04 -3.014083905e-04 5.68 -2.605977661e-04 -2.605977661e-04 5.70 -2.253986692e-04 -2.253986692e-04 5.72 -1.950326929e-04 -1.950326929e-04 5.74 -1.688291849e-04 -1.688291849e-04 5.76 -1.462106437e-04 -1.462106437e-04 5.78 -1.266799803e-04 -1.266799803e-04 5.80 -1.098094411e-04 -1.098094411e-04 5.82 -9.523100013e-05 -9.523100013e-05 5.84 -8.262804415e-05 -8.262804415e-05 5.86 -7.172819005e-05 -7.172819005e-05 5.88 -6.229708863e-05 -6.229708863e-05 5.90 -5.413308660e-05 -5.413308660e-05 5.92 -4.706263213e-05 -4.706263213e-05 5.94 -4.093632352e-05 -4.093632352e-05 5.96 -3.562551313e-05 -3.562551313e-05 5.98 -3.101938980e-05 -3.101938980e-05 6.00 -2.702247325e-05 -2.702247325e-05