# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1989--Adams-J-B-Foiles-S-M-Wolfer-W-G--Ag-Au-Cu-Ni-Pd-Pt # implementation = 1989--Adams-J-B--Ag-Au-Cu-Ni-Pd-Pt--LAMMPS--ipr1 # composition = CuNi # 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 2022-05-24 r B1--NaCl--rock-s B1--NaCl--rock-s B2--CsCl B2--CsCl B3--ZnS--cubic-z B3--ZnS--cubic-z L1_0--AuCu L1_0--AuCu 0.50 nan nan nan nan nan nan nan nan 0.52 nan nan nan nan nan nan nan nan 0.54 nan nan nan nan nan nan nan nan 0.56 nan nan nan nan nan nan nan nan 0.58 nan nan nan nan nan nan nan nan 0.60 nan nan nan nan nan nan nan nan 0.62 nan nan nan nan nan nan nan nan 0.64 nan nan nan nan nan nan nan nan 0.66 nan nan nan nan nan nan nan nan 0.68 nan nan nan nan nan nan nan nan 0.70 nan nan nan nan 2.563587986e+02 2.563587986e+02 nan nan 0.72 nan nan nan nan 2.305533913e+02 2.305533913e+02 nan nan 0.74 nan nan nan nan 2.085010869e+02 2.085010869e+02 nan nan 0.76 nan nan nan nan 1.895762465e+02 1.895762465e+02 nan nan 0.78 nan nan nan nan 1.732555570e+02 1.732555570e+02 nan nan 0.80 2.786467687e+02 2.786467687e+02 nan nan 1.591026242e+02 1.591026242e+02 nan nan 0.82 2.613872017e+02 2.613872017e+02 nan nan 1.467448983e+02 1.467448983e+02 nan nan 0.84 2.455430857e+02 2.455430857e+02 nan nan 1.358700728e+02 1.358700728e+02 nan nan 0.86 2.308527092e+02 2.308527092e+02 nan nan 1.262147612e+02 1.262147612e+02 nan nan 0.88 2.171234997e+02 2.171234997e+02 nan nan 1.175795908e+02 1.175795908e+02 nan nan 0.90 2.042100406e+02 2.042100406e+02 nan nan 1.097933279e+02 1.097933279e+02 nan nan 0.92 1.920003328e+02 1.920003328e+02 2.593621449e+02 2.593621449e+02 1.027117545e+02 1.027117545e+02 2.699722378e+02 2.699722378e+02 0.94 1.804040960e+02 1.804040960e+02 2.469303866e+02 2.469303866e+02 9.622099925e+01 9.622099925e+01 2.576190080e+02 2.576190080e+02 0.96 1.693690311e+02 1.693690311e+02 2.347754060e+02 2.347754060e+02 9.022551838e+01 9.022551838e+01 2.455762239e+02 2.455762239e+02 0.98 1.588513698e+02 1.588513698e+02 2.228726960e+02 2.228726960e+02 8.465387203e+01 8.465387203e+01 2.337792624e+02 2.337792624e+02 1.00 1.488204286e+02 1.488204286e+02 2.112051370e+02 2.112051370e+02 7.944581420e+01 7.944581420e+01 2.222006579e+02 2.222006579e+02 1.02 1.392611211e+02 1.392611211e+02 1.997758441e+02 1.997758441e+02 7.455800026e+01 7.455800026e+01 2.108321437e+02 2.108321437e+02 1.04 1.301541721e+02 1.301541721e+02 1.886042425e+02 1.886042425e+02 6.995598555e+01 6.995598555e+01 1.996818410e+02 1.996818410e+02 1.06 1.214846728e+02 1.214846728e+02 1.777044768e+02 1.777044768e+02 6.561234480e+01 6.561234480e+01 1.887609805e+02 1.887609805e+02 1.08 1.132395337e+02 1.132395337e+02 1.671083604e+02 1.671083604e+02 6.150555449e+01 6.150555449e+01 1.780899656e+02 1.780899656e+02 1.10 1.054026167e+02 1.054026167e+02 1.568316070e+02 1.568316070e+02 5.761495549e+01 5.761495549e+01 1.676913159e+02 1.676913159e+02 1.12 9.797244078e+01 9.797244078e+01 1.468960857e+02 1.468960857e+02 5.392591789e+01 5.392591789e+01 1.575881578e+02 1.575881578e+02 1.14 9.093945357e+01 9.093945357e+01 1.373135203e+02 1.373135203e+02 5.042411508e+01 5.042411508e+01 1.478051203e+02 1.478051203e+02 1.16 8.429219231e+01 8.429219231e+01 1.281097847e+02 1.281097847e+02 4.710559916e+01 4.710559916e+01 1.383614743e+02 1.383614743e+02 1.18 7.801927536e+01 7.801927536e+01 1.192958946e+02 1.192958946e+02 4.396439363e+01 4.396439363e+01 1.292748858e+02 1.292748858e+02 1.20 7.211520348e+01 7.211520348e+01 1.108858055e+02 1.108858055e+02 4.099721257e+01 4.099721257e+01 1.205588378e+02 1.205588378e+02 1.22 6.656103355e+01 6.656103355e+01 1.028757495e+02 1.028757495e+02 3.819250217e+01 3.819250217e+01 1.122247484e+02 1.122247484e+02 1.24 6.135484907e+01 6.135484907e+01 9.527948157e+01 9.527948157e+01 3.555025640e+01 3.555025640e+01 1.042814652e+02 1.042814652e+02 1.26 5.648266155e+01 5.648266155e+01 8.809277792e+01 8.809277792e+01 3.306372732e+01 3.306372732e+01 9.672954658e+01 9.672954658e+01 1.28 5.193149525e+01 5.193149525e+01 8.130953417e+01 8.130953417e+01 3.072747469e+01 3.072747469e+01 8.957293612e+01 8.957293612e+01 1.30 4.768231517e+01 4.768231517e+01 7.492402679e+01 7.492402679e+01 2.853612042e+01 2.853612042e+01 8.280578210e+01 8.280578210e+01 1.32 4.372627962e+01 4.372627962e+01 6.892363155e+01 6.892363155e+01 2.648223133e+01 2.648223133e+01 7.642352305e+01 7.642352305e+01 1.34 4.004366529e+01 4.004366529e+01 6.329984939e+01 6.329984939e+01 2.455986099e+01 2.455986099e+01 7.041428543e+01 7.041428543e+01 1.36 3.662562122e+01 3.662562122e+01 5.804307448e+01 5.804307448e+01 2.276565596e+01 2.276565596e+01 6.477117373e+01 6.477117373e+01 1.38 3.345877590e+01 3.345877590e+01 5.313770708e+01 5.313770708e+01 2.109217611e+01 2.109217611e+01 5.948408484e+01 5.948408484e+01 1.40 3.052772500e+01 3.052772500e+01 4.856906797e+01 4.856906797e+01 1.953619490e+01 1.953619490e+01 5.454135927e+01 5.454135927e+01 1.42 2.782206149e+01 2.782206149e+01 4.432070503e+01 4.432070503e+01 1.804850067e+01 1.804850067e+01 4.992952702e+01 4.992952702e+01 1.44 2.532802402e+01 2.532802402e+01 4.037823629e+01 4.037823629e+01 1.667067865e+01 1.667067865e+01 4.563553834e+01 4.563553834e+01 1.46 2.303148621e+01 2.303148621e+01 3.672349080e+01 3.672349080e+01 1.535595249e+01 1.535595249e+01 4.164452309e+01 4.164452309e+01 1.48 2.092112562e+01 2.092112562e+01 3.334306718e+01 3.334306718e+01 1.407304461e+01 1.407304461e+01 3.794183250e+01 3.794183250e+01 1.50 1.898414792e+01 1.898414792e+01 3.022491444e+01 3.022491444e+01 1.287304929e+01 1.287304929e+01 3.451140274e+01 3.451140274e+01 1.52 1.720812132e+01 1.720812132e+01 2.735362516e+01 2.735362516e+01 1.172766709e+01 1.172766709e+01 3.134055600e+01 3.134055600e+01 1.54 1.558244466e+01 1.558244466e+01 2.471315766e+01 2.471315766e+01 1.063775369e+01 1.063775369e+01 2.841451742e+01 2.841451742e+01 1.56 1.409907309e+01 1.409907309e+01 2.228987012e+01 2.228987012e+01 9.605067335e+00 9.605067335e+00 2.571766168e+01 2.571766168e+01 1.58 1.270670845e+01 1.270670845e+01 2.006945409e+01 2.006945409e+01 8.629488509e+00 8.629488509e+00 2.323674990e+01 2.323674990e+01 1.60 1.145664133e+01 1.145664133e+01 1.803820503e+01 1.803820503e+01 7.710341222e+00 7.710341222e+00 2.095851182e+01 2.095851182e+01 1.62 1.029150053e+01 1.029150053e+01 1.618065367e+01 1.618065367e+01 6.845509071e+00 6.845509071e+00 1.886693945e+01 1.886693945e+01 1.64 9.210357974e+00 9.210357974e+00 1.448709311e+01 1.448709311e+01 6.034702995e+00 6.034702995e+00 1.695293579e+01 1.695293579e+01 1.66 8.171235886e+00 8.171235886e+00 1.294343580e+01 1.294343580e+01 5.276758576e+00 5.276758576e+00 1.520319997e+01 1.520319997e+01 1.68 7.223235949e+00 7.223235949e+00 1.153900568e+01 1.153900568e+01 4.568449348e+00 4.568449348e+00 1.360663101e+01 1.360663101e+01 1.70 6.335417477e+00 6.335417477e+00 1.026526850e+01 1.026526850e+01 3.908179574e+00 3.908179574e+00 1.215290724e+01 1.215290724e+01 1.72 5.504428324e+00 5.504428324e+00 9.068202588e+00 9.068202588e+00 3.292757927e+00 3.292757927e+00 1.083094576e+01 1.083094576e+01 1.74 4.728505195e+00 4.728505195e+00 8.001584892e+00 8.001584892e+00 2.721546594e+00 2.721546594e+00 9.631859684e+00 9.631859684e+00 1.76 4.004401121e+00 4.004401121e+00 7.017438559e+00 7.017438559e+00 2.191379057e+00 2.191379057e+00 8.500807554e+00 8.500807554e+00 1.78 3.329610901e+00 3.329610901e+00 6.078252329e+00 6.078252329e+00 1.700217209e+00 1.700217209e+00 7.492201007e+00 7.492201007e+00 1.80 2.702153502e+00 2.702153502e+00 5.231488546e+00 5.231488546e+00 1.246834010e+00 1.246834010e+00 6.530078256e+00 6.530078256e+00 1.82 2.119528290e+00 2.119528290e+00 4.442487446e+00 4.442487446e+00 8.290575400e-01 8.290575400e-01 5.660589709e+00 5.660589709e+00 1.84 1.579325456e+00 1.579325456e+00 3.707851616e+00 3.707851616e+00 4.447868026e-01 4.447868026e-01 4.847911336e+00 4.847911336e+00 1.86 1.079843562e+00 1.079843562e+00 3.024319481e+00 3.024319481e+00 9.199909248e-02 9.199909248e-02 4.088314820e+00 4.088314820e+00 1.88 6.189069154e-01 6.189069154e-01 2.387290857e+00 2.387290857e+00 -2.296524284e-01 -2.296524284e-01 3.380965339e+00 3.380965339e+00 1.90 1.935231989e-01 1.935231989e-01 1.795918404e+00 1.795918404e+00 -5.231941553e-01 -5.231941553e-01 2.722137571e+00 2.722137571e+00 1.92 -1.983124319e-01 -1.983124319e-01 1.246343777e+00 1.246343777e+00 -7.914116876e-01 -7.914116876e-01 2.108838117e+00 2.108838117e+00 1.94 -5.585201170e-01 -5.585201170e-01 7.353106040e-01 7.353106040e-01 -1.035756528e+00 -1.035756528e+00 1.539244344e+00 1.539244344e+00 1.96 -8.889536427e-01 -8.889536427e-01 2.627576825e-01 2.627576825e-01 -1.257590877e+00 -1.257590877e+00 1.010552136e+00 1.010552136e+00 1.98 -1.192683144e+00 -1.192683144e+00 -1.749999238e-01 -1.749999238e-01 -1.459022754e+00 -1.459022754e+00 5.207865131e-01 5.207865131e-01 2.00 -1.469845434e+00 -1.469845434e+00 -5.791957369e-01 -5.791957369e-01 -1.641089621e+00 -1.641089621e+00 6.752717657e-02 6.752717657e-02 2.02 -1.722056871e+00 -1.722056871e+00 -9.507683294e-01 -9.507683294e-01 -1.804796351e+00 -1.804796351e+00 -3.516483082e-01 -3.516483082e-01 2.04 -1.952370384e+00 -1.952370384e+00 -1.291108953e+00 -1.291108953e+00 -1.951419320e+00 -1.951419320e+00 -7.382635639e-01 -7.382635639e-01 2.06 -2.160633185e+00 -2.160633185e+00 -1.603104557e+00 -1.603104557e+00 -2.082160816e+00 -2.082160816e+00 -1.094223255e+00 -1.094223255e+00 2.08 -2.347292364e+00 -2.347292364e+00 -1.888471244e+00 -1.888471244e+00 -2.198128437e+00 -2.198128437e+00 -1.420378637e+00 -1.420378637e+00 2.10 -2.514049801e+00 -2.514049801e+00 -2.149095736e+00 -2.149095736e+00 -2.299962819e+00 -2.299962819e+00 -1.719973274e+00 -1.719973274e+00 2.12 -2.662422775e+00 -2.662422775e+00 -2.386129648e+00 -2.386129648e+00 -2.389147588e+00 -2.389147588e+00 -1.994128180e+00 -1.994128180e+00 2.14 -2.794115090e+00 -2.794115090e+00 -2.601011912e+00 -2.601011912e+00 -2.466609235e+00 -2.466609235e+00 -2.244453426e+00 -2.244453426e+00 2.16 -2.910918250e+00 -2.910918250e+00 -2.795406274e+00 -2.795406274e+00 -2.533559306e+00 -2.533559306e+00 -2.472848143e+00 -2.472848143e+00 2.18 -3.013483399e+00 -3.013483399e+00 -2.970312865e+00 -2.970312865e+00 -2.590518949e+00 -2.590518949e+00 -2.680173310e+00 -2.680173310e+00 2.20 -3.102471783e+00 -3.102471783e+00 -3.126889669e+00 -3.126889669e+00 -2.638189938e+00 -2.638189938e+00 -2.867446164e+00 -2.867446164e+00 2.22 -3.179373148e+00 -3.179373148e+00 -3.266094683e+00 -3.266094683e+00 -2.677292321e+00 -2.677292321e+00 -3.035968083e+00 -3.035968083e+00 2.24 -3.245603439e+00 -3.245603439e+00 -3.387879439e+00 -3.387879439e+00 -2.708499012e+00 -2.708499012e+00 -3.187070117e+00 -3.187070117e+00 2.26 -3.300787542e+00 -3.300787542e+00 -3.494802094e+00 -3.494802094e+00 -2.732448911e+00 -2.732448911e+00 -3.320499568e+00 -3.320499568e+00 2.28 -3.345741892e+00 -3.345741892e+00 -3.587813298e+00 -3.587813298e+00 -2.748782318e+00 -2.748782318e+00 -3.438091233e+00 -3.438091233e+00 2.30 -3.380710607e+00 -3.380710607e+00 -3.667409840e+00 -3.667409840e+00 -2.758984930e+00 -2.758984930e+00 -3.541710210e+00 -3.541710210e+00 2.32 -3.406729056e+00 -3.406729056e+00 -3.734815996e+00 -3.734815996e+00 -2.763617032e+00 -2.763617032e+00 -3.632020870e+00 -3.632020870e+00 2.34 -3.424751964e+00 -3.424751964e+00 -3.790941399e+00 -3.790941399e+00 -2.763148760e+00 -2.763148760e+00 -3.709642748e+00 -3.709642748e+00 2.36 -3.435409618e+00 -3.435409618e+00 -3.836554292e+00 -3.836554292e+00 -2.758017858e+00 -2.758017858e+00 -3.775129139e+00 -3.775129139e+00 2.38 -3.439293838e+00 -3.439293838e+00 -3.872382917e+00 -3.872382917e+00 -2.748629760e+00 -2.748629760e+00 -3.829636320e+00 -3.829636320e+00 2.40 -3.436959918e+00 -3.436959918e+00 -3.899117180e+00 -3.899117180e+00 -2.735256594e+00 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