# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2020--Wang-J-Oh-S-H-Lee-B-J--Cu-Co # implementation = 2020--Wang-J--Cu-Co--LAMMPS--ipr1 # composition = CoCu # 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 2.908499053e+02 2.908499053e+02 nan nan 0.66 nan nan nan nan 2.722618281e+02 2.722618281e+02 nan nan 0.68 nan nan nan nan 2.548325281e+02 2.548325281e+02 nan nan 0.70 nan nan nan nan 2.384880892e+02 2.384880892e+02 nan nan 0.72 nan nan nan nan 2.231594284e+02 2.231594284e+02 nan nan 0.74 3.324124802e+02 3.324124802e+02 nan nan 2.087819999e+02 2.087819999e+02 nan nan 0.76 3.109041352e+02 3.109041352e+02 nan nan 1.952955118e+02 1.952955118e+02 nan nan 0.78 2.907403789e+02 2.907403789e+02 nan nan 1.826436545e+02 1.826436545e+02 nan nan 0.80 2.718357806e+02 2.718357806e+02 4.978560025e+02 4.978560025e+02 1.707738425e+02 1.707738425e+02 nan nan 0.82 2.541105678e+02 2.541105678e+02 4.658640091e+02 4.658640091e+02 1.596369684e+02 1.596369684e+02 5.676006228e+02 5.676006228e+02 0.84 2.374902487e+02 2.374902487e+02 4.358503273e+02 4.358503273e+02 1.491871703e+02 1.491871703e+02 5.316014396e+02 5.316014396e+02 0.86 2.219052568e+02 2.219052568e+02 4.076923265e+02 4.076923265e+02 1.393816124e+02 1.393816124e+02 4.977621832e+02 4.977621832e+02 0.88 2.072906151e+02 2.072906151e+02 3.812752274e+02 3.812752274e+02 1.301802775e+02 1.301802775e+02 4.659582007e+02 4.659582007e+02 0.90 1.935856225e+02 1.935856225e+02 3.564915841e+02 3.564915841e+02 1.215457736e+02 1.215457736e+02 4.360717649e+02 4.360717649e+02 0.92 1.807335581e+02 1.807335581e+02 3.332407982e+02 3.332407982e+02 1.134431515e+02 1.134431515e+02 4.079917050e+02 4.079917050e+02 0.94 1.686814064e+02 1.686814064e+02 3.114286633e+02 3.114286633e+02 1.058397348e+02 1.058397348e+02 3.816130559e+02 3.816130559e+02 0.96 1.573796000e+02 1.573796000e+02 2.909669399e+02 2.909669399e+02 9.870496179e+01 9.870496179e+01 3.568367278e+02 3.568367278e+02 0.98 1.467817798e+02 1.467817798e+02 2.717729572e+02 2.717729572e+02 9.201023746e+01 9.201023746e+01 3.335691911e+02 3.335691911e+02 1.00 1.368445728e+02 1.368445728e+02 2.537692432e+02 2.537692432e+02 8.572879650e+01 8.572879650e+01 3.117221784e+02 3.117221784e+02 1.02 1.275273848e+02 1.275273848e+02 2.368831781e+02 2.368831781e+02 7.983557591e+01 7.983557591e+01 2.912124025e+02 2.912124025e+02 1.04 1.187922084e+02 1.187922084e+02 2.210466733e+02 2.210466733e+02 7.430709694e+01 7.430709694e+01 2.719612869e+02 2.719612869e+02 1.06 1.106034451e+02 1.106034451e+02 2.061958717e+02 2.061958717e+02 6.912135564e+01 6.912135564e+01 2.538947120e+02 2.538947120e+02 1.08 1.029277400e+02 1.029277400e+02 1.922708687e+02 1.922708687e+02 6.425772164e+01 6.425772164e+01 2.369427728e+02 2.369427728e+02 1.10 9.573382914e+01 9.573382914e+01 1.792154538e+02 1.792154538e+02 5.969684440e+01 5.969684440e+01 2.210395495e+02 2.210395495e+02 1.12 8.899239785e+01 8.899239785e+01 1.669768693e+02 1.669768693e+02 5.542056651e+01 5.542056651e+01 2.061228899e+02 2.061228899e+02 1.14 8.267594978e+01 8.267594978e+01 1.555055866e+02 1.555055866e+02 5.141184351e+01 5.141184351e+01 1.921342024e+02 1.921342024e+02 1.16 7.675868547e+01 7.675868547e+01 1.447550980e+02 1.447550980e+02 4.765466970e+01 4.765466970e+01 1.790182601e+02 1.790182601e+02 1.18 7.121639001e+01 7.121639001e+01 1.346817228e+02 1.346817228e+02 4.413400950e+01 4.413400950e+01 1.667230150e+02 1.667230150e+02 1.20 6.602632897e+01 6.602632897e+01 1.252444277e+02 1.252444277e+02 4.083573397e+01 4.083573397e+01 1.551994217e+02 1.551994217e+02 1.22 6.116715186e+01 6.116715186e+01 1.164046589e+02 1.164046589e+02 3.774656195e+01 3.774656195e+01 1.444012700e+02 1.444012700e+02 1.24 5.661880274e+01 5.661880274e+01 1.081261862e+02 1.081261862e+02 3.485400561e+01 3.485400561e+01 1.342850271e+02 1.342850271e+02 1.26 5.236243722e+01 5.236243722e+01 1.003749576e+02 1.003749576e+02 3.214631994e+01 3.214631994e+01 1.248096872e+02 1.248096872e+02 1.28 4.838034543e+01 4.838034543e+01 9.311896416e+01 9.311896416e+01 2.961245584e+01 2.961245584e+01 1.159366300e+02 1.159366300e+02 1.30 4.465588044e+01 4.465588044e+01 8.632811346e+01 8.632811346e+01 2.724201669e+01 2.724201669e+01 1.076294860e+02 1.076294860e+02 1.32 4.117339173e+01 4.117339173e+01 7.997411205e+01 7.997411205e+01 2.502521785e+01 2.502521785e+01 9.985400921e+01 9.985400921e+01 1.34 3.791816333e+01 3.791816333e+01 7.403035540e+01 7.403035540e+01 2.295284912e+01 2.295284912e+01 9.257795744e+01 9.257795744e+01 1.36 3.487635612e+01 3.487635612e+01 6.847182527e+01 6.847182527e+01 2.101623967e+01 2.101623967e+01 8.577097799e+01 8.577097799e+01 1.38 3.203495414e+01 3.203495414e+01 6.327499366e+01 6.327499366e+01 1.920722547e+01 1.920722547e+01 7.940450032e+01 7.940450032e+01 1.40 2.938171448e+01 2.938171448e+01 5.841773308e+01 5.841773308e+01 1.751811885e+01 1.751811885e+01 7.345163441e+01 7.345163441e+01 1.42 2.690512053e+01 2.690512053e+01 5.387923250e+01 5.387923250e+01 1.594168012e+01 1.594168012e+01 6.788707462e+01 6.788707462e+01 1.44 2.459433824e+01 2.459433824e+01 4.963991872e+01 4.963991872e+01 1.447109100e+01 1.447109100e+01 6.268700903e+01 6.268700903e+01 1.46 2.243917532e+01 2.243917532e+01 4.568138264e+01 4.568138264e+01 1.309992983e+01 1.309992983e+01 5.782903360e+01 5.782903360e+01 1.48 2.043004298e+01 2.043004298e+01 4.198631016e+01 4.198631016e+01 1.182214835e+01 1.182214835e+01 5.329207130e+01 5.329207130e+01 1.50 1.855792015e+01 1.855792015e+01 3.853841738e+01 3.853841738e+01 1.063204993e+01 1.063204993e+01 4.905629566e+01 4.905629566e+01 1.52 1.681431997e+01 1.681431997e+01 3.532238976e+01 3.532238976e+01 9.524269156e+00 9.524269156e+00 4.510305857e+01 4.510305857e+01 1.54 1.519125830e+01 1.519125830e+01 3.232382503e+01 3.232382503e+01 8.493752725e+00 8.493752725e+00 4.141482218e+01 4.141482218e+01 1.56 1.368122426e+01 1.368122426e+01 2.952917959e+01 2.952917959e+01 7.535741454e+00 7.535741454e+00 3.797509465e+01 3.797509465e+01 1.58 1.227715249e+01 1.227715249e+01 2.692571804e+01 2.692571804e+01 6.645753404e+00 6.645753404e+00 3.476836947e+01 3.476836947e+01 1.60 1.097239721e+01 1.097239721e+01 2.450146585e+01 2.450146585e+01 5.819568009e+00 5.819568009e+00 3.178006822e+01 3.178006822e+01 1.62 9.760707706e+00 9.760707706e+00 2.224516482e+01 2.224516482e+01 5.053211149e+00 5.053211149e+00 2.899648662e+01 2.899648662e+01 1.64 8.636205368e+00 8.636205368e+00 2.014623113e+01 2.014623113e+01 4.342941098e+00 4.342941098e+00 2.640474359e+01 2.640474359e+01 1.66 7.593362088e+00 7.593362088e+00 1.819471592e+01 1.819471592e+01 3.685235297e+00 3.685235297e+00 2.399273320e+01 2.399273320e+01 1.68 6.626979903e+00 6.626979903e+00 1.638126821e+01 1.638126821e+01 3.076777891e+00 3.076777891e+00 2.174907942e+01 2.174907942e+01 1.70 5.732171851e+00 5.732171851e+00 1.469709990e+01 1.469709990e+01 2.514447987e+00 2.514447987e+00 1.966309337e+01 1.966309337e+01 1.72 4.904343940e+00 4.904343940e+00 1.313395294e+01 1.313395294e+01 1.995308576e+00 1.995308576e+00 1.772473309e+01 1.772473309e+01 1.74 4.139178169e+00 4.139178169e+00 1.168406826e+01 1.168406826e+01 1.516596100e+00 1.516596100e+00 1.592456554e+01 1.592456554e+01 1.76 3.432616527e+00 3.432616527e+00 1.034015666e+01 1.034015666e+01 1.075710593e+00 1.075710593e+00 1.425373083e+01 1.425373083e+01 1.78 2.780845919e+00 2.780845919e+00 9.095371271e+00 9.095371271e+00 6.702063956e-01 6.702063956e-01 1.270390849e+01 1.270390849e+01 1.80 2.180283956e+00 2.180283956e+00 7.943281656e+00 7.943281656e+00 2.977833760e-01 2.977833760e-01 1.126728564e+01 1.126728564e+01 1.82 1.627565563e+00 1.627565563e+00 6.877849405e+00 6.877849405e+00 -4.372134577e-02 -4.372134577e-02 9.936527083e+00 9.936527083e+00 1.84 1.119530349e+00 1.119530349e+00 5.893405124e+00 5.893405124e+00 -3.563412167e-01 -3.563412167e-01 8.704746991e+00 8.704746991e+00 1.86 6.532107017e-01 6.532107017e-01 4.984626757e+00 4.984626757e+00 -6.419876317e-01 -6.419876317e-01 7.565482352e+00 7.565482352e+00 1.88 2.258205608e-01 2.258205608e-01 4.146519155e+00 4.146519155e+00 -9.024569033e-01 -9.024569033e-01 6.512667866e+00 6.512667866e+00 1.90 -1.652551724e-01 -1.652551724e-01 3.374394816e+00 3.374394816e+00 -1.139454909e+00 -1.139454909e+00 5.540612332e+00 5.540612332e+00 1.92 -5.224706191e-01 -5.224706191e-01 2.663855736e+00 2.663855736e+00 -1.354764592e+00 -1.354764592e+00 4.643976387e+00 4.643976387e+00 1.94 -8.481283416e-01 -8.481283416e-01 2.010776302e+00 2.010776302e+00 -1.549632439e+00 -1.549632439e+00 3.817751543e+00 3.817751543e+00 1.96 -1.144388225e+00 -1.144388225e+00 1.411287172e+00 1.411287172e+00 -1.725292258e+00 -1.725292258e+00 3.057240437e+00 3.057240437e+00 1.98 -1.413275856e+00 -1.413275856e+00 8.617600732e-01 8.617600732e-01 -1.883247470e+00 -1.883247470e+00 2.358038233e+00 2.358038233e+00 2.00 -1.656690422e+00 -1.656690422e+00 3.587934899e-01 3.587934899e-01 -2.024729508e+00 -2.024729508e+00 1.716015103e+00 1.716015103e+00 2.02 -1.876412163e+00 -1.876412163e+00 -1.008008388e-01 -1.008008388e-01 -2.150893727e+00 -2.150893727e+00 1.127299732e+00 1.127299732e+00 2.04 -2.074109401e+00 -2.074109401e+00 -5.200106343e-01 -5.200106343e-01 -2.262823807e+00 -2.262823807e+00 5.882637791e-01 5.882637791e-01 2.06 -2.251345162e+00 -2.251345162e+00 -9.016350619e-01 -9.016350619e-01 -2.361535916e+00 -2.361535916e+00 9.550725863e-02 9.550725863e-02 2.08 -2.409583429e+00 -2.409583429e+00 -1.248296023e+00 -1.248296023e+00 -2.447982639e+00 -2.447982639e+00 -3.541552360e-01 -3.541552360e-01 2.10 -2.550195385e+00 -2.550195385e+00 -1.562448793e+00 -1.562448793e+00 -2.523056690e+00 -2.523056690e+00 -7.637074938e-01 -7.637074938e-01 2.12 -2.674467500e+00 -2.674467500e+00 -1.846392043e+00 -1.846392043e+00 -2.587594412e+00 -2.587594412e+00 -1.135943889e+00 -1.135943889e+00 2.14 -2.783598182e+00 -2.783598182e+00 -2.102277282e+00 -2.102277282e+00 -2.642379089e+00 -2.642379089e+00 -1.473480870e+00 -1.473480870e+00 2.16 -2.878704806e+00 -2.878704806e+00 -2.332117746e+00 -2.332117746e+00 -2.688144064e+00 -2.688144064e+00 -1.778767764e+00 -1.778767764e+00 2.18 -2.960842998e+00 -2.960842998e+00 -2.537796778e+00 -2.537796778e+00 -2.725575684e+00 -2.725575684e+00 -2.054096958e+00 -2.054096958e+00 2.20 -3.030995040e+00 -3.030995040e+00 -2.721075707e+00 -2.721075707e+00 -2.755316085e+00 -2.755316085e+00 -2.301613467e+00 -2.301613467e+00 2.22 -3.090078961e+00 -3.090078961e+00 -2.883601281e+00 -2.883601281e+00 -2.777965813e+00 -2.777965813e+00 -2.523323943e+00 -2.523323943e+00 2.24 -3.138952427e+00 -3.138952427e+00 -3.026912656e+00 -3.026912656e+00 -2.794086297e+00 -2.794086297e+00 -2.721105150e+00 -2.721105150e+00 2.26 -3.178416408e+00 -3.178416408e+00 -3.152447974e+00 -3.152447974e+00 -2.804202189e+00 -2.804202189e+00 -2.896711939e+00 -2.896711939e+00 2.28 -3.209218638e+00 -3.209218638e+00 -3.261550565e+00 -3.261550565e+00 -2.808803562e+00 -2.808803562e+00 -3.051784741e+00 -3.051784741e+00 2.30 -3.232056862e+00 -3.232056862e+00 -3.355474771e+00 -3.355474771e+00 -2.808347989e+00 -2.808347989e+00 -3.187856628e+00 -3.187856628e+00 2.32 -3.247581907e+00 -3.247581907e+00 -3.435391436e+00 -3.435391436e+00 -2.803262502e+00 -2.803262502e+00 -3.306359942e+00 -3.306359942e+00 2.34 -3.256400561e+00 -3.256400561e+00 -3.502393068e+00 -3.502393068e+00 -2.793945437e+00 -2.793945437e+00 -3.408632534e+00 -3.408632534e+00 2.36 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