# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2020--Groger-R-Vitek-V-Dlouhy-A--Co-Cr-Fe-Mn-Ni # implementation = 2020--Groger-R--Co-Cr-Fe-Mn-Ni--LAMMPS--ipr1 # composition = CoCr # 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 nan nan nan nan 0.72 nan nan nan nan nan nan nan nan 0.74 nan nan nan nan nan nan nan nan 0.76 nan nan nan nan nan nan nan nan 0.78 nan nan nan nan nan nan nan nan 0.80 nan nan nan nan nan nan nan nan 0.82 nan nan nan nan nan nan nan nan 0.84 nan nan nan nan nan nan nan nan 0.86 nan nan nan nan nan nan nan nan 0.88 nan nan nan nan 1.772906828e+05 1.772906828e+05 nan nan 0.90 nan nan nan nan 1.353049927e+05 1.353049927e+05 nan nan 0.92 nan nan nan nan 1.038690064e+05 1.038690064e+05 nan nan 0.94 nan nan nan nan 8.018421144e+04 8.018421144e+04 nan nan 0.96 nan nan nan nan 6.223228540e+04 6.223228540e+04 nan nan 0.98 nan nan nan nan 4.854741705e+04 4.854741705e+04 nan nan 1.00 5.841246703e+04 5.841246703e+04 nan nan 3.805793050e+04 3.805793050e+04 nan nan 1.02 4.600339654e+04 4.600339654e+04 nan nan 2.997527980e+04 2.997527980e+04 nan nan 1.04 3.639358297e+04 3.639358297e+04 nan nan 2.371567448e+04 2.371567448e+04 nan nan 1.06 2.891541950e+04 2.891541950e+04 nan nan 1.884435889e+04 1.884435889e+04 nan nan 1.08 2.306891229e+04 2.306891229e+04 nan nan 1.503572526e+04 1.503572526e+04 nan nan 1.10 1.847755526e+04 1.847755526e+04 nan nan 1.204458014e+04 1.204458014e+04 nan nan 1.12 1.485634045e+04 1.485634045e+04 2.184421362e+04 2.184421362e+04 9.685315270e+03 9.685315270e+03 2.566934345e+04 2.566934345e+04 1.14 1.198843144e+04 1.198843144e+04 1.762762017e+04 1.762762017e+04 7.816716438e+03 7.816716438e+03 2.071700525e+04 2.071700525e+04 1.16 9.708052578e+03 9.708052578e+03 1.427482602e+04 1.427482602e+04 6.330819560e+03 6.330819560e+03 1.677893119e+04 1.677893119e+04 1.18 7.887868673e+03 7.887868673e+03 1.159862389e+04 1.159862389e+04 5.144693962e+03 5.144693962e+03 1.363533367e+04 1.363533367e+04 1.20 6.429628400e+03 6.429628400e+03 9.454564766e+03 9.454564766e+03 4.194349175e+03 4.194349175e+03 1.111662186e+04 1.111662186e+04 1.22 5.257190924e+03 5.257190924e+03 7.730705310e+03 7.730705310e+03 3.430193628e+03 3.430193628e+03 9.091364420e+03 9.091364420e+03 1.24 4.311300503e+03 4.311300503e+03 6.339926053e+03 6.339926053e+03 2.813632026e+03 2.813632026e+03 7.457272976e+03 7.457272976e+03 1.26 3.545652651e+03 3.545652651e+03 5.214150306e+03 5.214150306e+03 2.314504075e+03 2.314504075e+03 6.134414509e+03 6.134414509e+03 1.28 2.923921399e+03 2.923921399e+03 4.299971541e+03 4.299971541e+03 1.909148279e+03 1.909148279e+03 5.060078753e+03 5.060078753e+03 1.30 2.417500712e+03 2.417500712e+03 3.555330758e+03 3.555330758e+03 1.578930200e+03 1.578930200e+03 4.184879265e+03 4.184879265e+03 1.32 2.003779860e+03 2.003779860e+03 2.946984017e+03 2.946984017e+03 1.309120205e+03 1.309120205e+03 3.469778843e+03 3.469778843e+03 1.34 1.664822255e+03 1.664822255e+03 2.448561187e+03 2.448561187e+03 1.088033898e+03 1.088033898e+03 2.883810357e+03 2.883810357e+03 1.36 1.386350178e+03 1.386350178e+03 2.039071279e+03 2.039071279e+03 9.063700784e+02 9.063700784e+02 2.402322625e+03 2.402322625e+03 1.38 1.156960352e+03 1.156960352e+03 1.701749579e+03 1.701749579e+03 7.566995177e+02 7.566995177e+02 2.005626633e+03 2.005626633e+03 1.40 9.675159890e+02 9.675159890e+02 1.423163616e+03 1.423163616e+03 6.330690012e+02 6.330690012e+02 1.677945880e+03 1.677945880e+03 1.42 8.106738143e+02 8.106738143e+02 1.192516359e+03 1.192516359e+03 5.306932720e+02 5.306932720e+02 1.406599276e+03 1.406599276e+03 1.44 6.805137080e+02 6.805137080e+02 1.001102427e+03 1.001102427e+03 4.457141525e+02 4.457141525e+02 1.181362626e+03 1.181362626e+03 1.46 5.722488268e+02 5.722488268e+02 8.418826929e+02 8.418826929e+02 3.750118660e+02 3.750118660e+02 9.939681064e+02 9.939681064e+02 1.48 4.819971218e+02 4.819971218e+02 7.091492022e+02 7.091492022e+02 3.160565320e+02 3.160565320e+02 8.377106766e+02 8.377106766e+02 1.50 4.066017130e+02 4.066017130e+02 5.982608658e+02 5.982608658e+02 2.667911114e+02 2.667911114e+02 7.071373203e+02 7.071373203e+02 1.52 3.434885098e+02 3.434885098e+02 5.054333979e+02 5.054333979e+02 2.255382617e+02 2.255382617e+02 5.978012482e+02 5.978012482e+02 1.54 2.905532413e+02 2.905532413e+02 4.275730667e+02 4.275730667e+02 1.909267158e+02 1.909267158e+02 5.060669224e+02 5.060669224e+02 1.56 2.460712502e+02 2.460712502e+02 3.621441401e+02 3.621441401e+02 1.618322953e+02 1.618322953e+02 4.289544445e+02 4.289544445e+02 1.58 2.086256623e+02 2.086256623e+02 3.070629874e+02 3.070629874e+02 1.373309622e+02 1.373309622e+02 3.640150967e+02 3.640150967e+02 1.60 1.770494571e+02 1.770494571e+02 2.606137344e+02 2.606137344e+02 1.166616684e+02 1.166616684e+02 3.092317283e+02 3.092317283e+02 1.62 1.503792790e+02 1.503792790e+02 2.213798232e+02 2.213798232e+02 9.919616421e+01 9.919616421e+01 2.629387391e+02 2.629387391e+02 1.64 1.278176300e+02 1.278176300e+02 1.881886182e+02 1.881886182e+02 8.441436554e+01 8.441436554e+01 2.237578323e+02 2.237578323e+02 1.66 1.087031243e+02 1.087031243e+02 1.600675582e+02 1.600675582e+02 7.188487489e+01 7.188487489e+01 1.905459876e+02 1.905459876e+02 1.68 9.248616618e+01 9.248616618e+01 1.362083863e+02 1.362083863e+02 6.124909923e+01 6.124909923e+01 1.623530690e+02 1.623530690e+02 1.70 7.870906828e+01 7.870906828e+01 1.159380207e+02 1.159380207e+02 5.220832702e+01 5.220832702e+01 1.383875943e+02 1.383875943e+02 1.72 6.698998716e+01 6.698998716e+01 9.869492844e+01 9.869492844e+01 4.451328662e+01 4.451328662e+01 1.179890825e+02 1.179890825e+02 1.74 5.700983127e+01 5.700983127e+01 8.400981936e+01 8.400981936e+01 3.795560856e+01 3.795560856e+01 1.006053619e+02 1.006053619e+02 1.76 4.850156771e+01 4.850156771e+01 7.148963000e+01 7.148963000e+01 3.236083077e+01 3.236083077e+01 8.577402241e+01 8.577402241e+01 1.78 4.124126886e+01 4.124126886e+01 6.080433383e+01 6.080433383e+01 2.758249811e+01 2.758249811e+01 7.310705359e+01 7.310705359e+01 1.80 3.504044632e+01 3.504044632e+01 5.167646709e+01 5.167646709e+01 2.349748750e+01 2.349748750e+01 6.227809279e+01 6.227809279e+01 1.82 2.974024627e+01 2.974024627e+01 4.387245460e+01 4.387245460e+01 2.000216277e+01 2.000216277e+01 5.301220613e+01 5.301220613e+01 1.84 2.520672155e+01 2.520672155e+01 3.719523239e+01 3.719523239e+01 1.700901311e+01 1.700901311e+01 4.507744090e+01 4.507744090e+01 1.86 2.132665456e+01 2.132665456e+01 3.147833338e+01 3.147833338e+01 1.444405586e+01 1.444405586e+01 3.827779085e+01 3.827779085e+01 1.88 1.800411352e+01 1.800411352e+01 2.658100093e+01 2.658100093e+01 1.224469491e+01 1.224469491e+01 3.244731673e+01 3.244731673e+01 1.90 1.515778391e+01 1.515778391e+01 2.238408093e+01 2.238408093e+01 1.035788830e+01 1.035788830e+01 2.744523453e+01 2.744523453e+01 1.92 1.271865658e+01 1.271865658e+01 1.878660270e+01 1.878660270e+01 8.738641978e+00 8.738641978e+00 2.315207338e+01 2.315207338e+01 1.94 1.062804779e+01 1.062804779e+01 1.570273997e+01 1.570273997e+01 7.348754460e+00 7.348754460e+00 1.946630321e+01 1.946630321e+01 1.96 8.836007107e+00 8.836007107e+00 1.305927655e+01 1.305927655e+01 6.155661165e+00 6.155661165e+00 1.630152245e+01 1.630152245e+01 1.98 7.300003774e+00 7.300003774e+00 1.079358079e+01 1.079358079e+01 5.131486650e+00 5.131486650e+00 1.358404227e+01 1.358404227e+01 2.00 5.983801729e+00 5.983801729e+00 8.852177892e+00 8.852177892e+00 4.252426329e+00 4.252426329e+00 1.125097223e+01 1.125097223e+01 2.02 4.856402085e+00 4.856402085e+00 7.189403087e+00 7.189403087e+00 3.498141699e+00 3.498141699e+00 9.248517322e+00 9.248517322e+00 2.04 3.891220972e+00 3.891220972e+00 5.766229180e+00 5.766229180e+00 2.851227506e+00 2.851227506e+00 7.530621099e+00 7.530621099e+00 2.06 3.065522295e+00 3.065522295e+00 4.549169358e+00 4.549169358e+00 2.296710204e+00 2.296710204e+00 6.057797316e+00 6.057797316e+00 2.08 2.359863833e+00 2.359863833e+00 3.509521494e+00 3.509521494e+00 1.821740891e+00 1.821740891e+00 4.796147221e+00 4.796147221e+00 2.10 1.757617461e+00 1.757617461e+00 2.622665199e+00 2.622665199e+00 1.415293756e+00 1.415293756e+00 3.716576146e+00 3.716576146e+00 2.12 1.244461144e+00 1.244461144e+00 1.867445327e+00 1.867445327e+00 1.067891652e+00 1.067891652e+00 2.794120598e+00 2.794120598e+00 2.14 8.080832132e-01 8.080832132e-01 1.225675576e+00 1.225675576e+00 7.713865692e-01 7.713865692e-01 2.007339684e+00 2.007339684e+00 2.16 4.379307976e-01 4.379307976e-01 6.817192290e-01 6.817192290e-01 5.187743602e-01 5.187743602e-01 1.337712263e+00 1.337712263e+00 2.18 1.249525102e-01 1.249525102e-01 2.221344480e-01 2.221344480e-01 3.040381113e-01 3.040381113e-01 7.691911286e-01 7.691911286e-01 2.20 -1.386058662e-01 -1.386058662e-01 -1.646260065e-01 -1.646260065e-01 1.220156654e-01 1.220156654e-01 2.879292119e-01 2.879292119e-01 2.22 -3.594128427e-01 -3.594128427e-01 -4.885101024e-01 -4.885101024e-01 -3.173295490e-02 -3.173295490e-02 -1.180268737e-01 -1.180268737e-01 2.24 -5.433298595e-01 -5.433298595e-01 -7.582225476e-01 -7.582225476e-01 -1.610904979e-01 -1.610904979e-01 -4.590269124e-01 -4.590269124e-01 2.26 -6.954514295e-01 -6.954514295e-01 -9.813115190e-01 -9.813115190e-01 -2.694116999e-01 -2.694116999e-01 -7.440017784e-01 -7.440017784e-01 2.28 -8.201800069e-01 -8.201800069e-01 -1.164292612e+00 -1.164292612e+00 -3.595765897e-01 -3.595765897e-01 -9.806658364e-01 -9.806658364e-01 2.30 -9.213191949e-01 -9.213191949e-01 -1.312791351e+00 -1.312791351e+00 -4.340571427e-01 -4.340571427e-01 -1.175722012e+00 -1.175722012e+00 2.32 -1.002148176e+00 -1.002148176e+00 -1.431658556e+00 -1.431658556e+00 -4.949679689e-01 -4.949679689e-01 -1.334992029e+00 -1.334992029e+00 2.34 -1.065464809e+00 -1.065464809e+00 -1.525069150e+00 -1.525069150e+00 -5.441099532e-01 -5.441099532e-01 -1.463512457e+00 -1.463512457e+00 2.36 -1.113697760e+00 -1.113697760e+00 -1.596662257e+00 -1.596662257e+00 -5.830632813e-01 -5.830632813e-01 -1.565633923e+00 -1.565633923e+00 2.38 -1.148994503e+00 -1.148994503e+00 -1.649661476e+00 -1.649661476e+00 -6.132675698e-01 -6.132675698e-01 -1.645106376e+00 -1.645106376e+00 2.40 -1.173229805e+00 -1.173229805e+00 -1.686868772e+00 -1.686868772e+00 -6.359815016e-01 -6.359815016e-01 -1.705148109e+00 -1.705148109e+00 2.42 -1.188038794e+00 -1.188038794e+00 -1.710710839e+00 -1.710710839e+00 -6.522999953e-01 -6.522999953e-01 -1.748502876e+00 -1.748502876e+00 2.44 -1.194848297e+00 -1.194848297e+00 -1.723284854e+00 -1.723284854e+00 -6.631750852e-01 -6.631750852e-01 -1.777527993e+00 -1.777527993e+00 2.46 -1.194903646e+00 -1.194903646e+00 -1.726397562e+00 -1.726397562e+00 -6.694338324e-01 -6.694338324e-01 -1.794289232e+00 -1.794289232e+00 2.48 -1.189291582e+00 -1.189291582e+00 -1.721598624e+00 -1.721598624e+00 -6.717936871e-01 -6.717936871e-01 -1.800587986e+00 -1.800587986e+00 2.50 -1.178959807e+00 -1.178959807e+00 -1.710209054e+00 -1.710209054e+00 -6.708756611e-01 -6.708756611e-01 -1.798014890e+00 -1.798014890e+00 2.52 -1.164733655e+00 -1.164733655e+00 -1.693345412e+00 -1.693345412e+00 -6.672156160e-01 -6.672156160e-01 -1.787936238e+00 -1.787936238e+00 2.54 -1.147330284e+00 -1.147330284e+00 -1.671940367e+00 -1.671940367e+00 -6.612739294e-01 -6.612739294e-01 -1.771527483e+00 -1.771527483e+00 2.56 -1.127370733e+00 -1.127370733e+00 -1.646760244e+00 -1.646760244e+00 -6.534437621e-01 -6.534437621e-01 -1.749844388e+00 -1.749844388e+00 2.58 -1.105390099e+00 -1.105390099e+00 -1.618452252e+00 -1.618452252e+00 -6.440581195e-01 -6.440581195e-01 -1.723817443e+00 -1.723817443e+00 2.60 -1.081843339e+00 -1.081843339e+00 -1.587604668e+00 -1.587604668e+00 -6.333958697e-01 -6.333958697e-01 -1.694248156e+00 -1.694248156e+00 2.62 -1.057110576e+00 -1.057110576e+00 -1.554702604e+00 -1.554702604e+00 -6.216868617e-01 -6.216868617e-01 -1.661821064e+00 -1.661821064e+00 2.64 -1.031508788e+00 -1.031508788e+00 -1.520148008e+00 -1.520148008e+00 -6.091221772e-01 -6.091221772e-01 -1.627123792e+00 -1.627123792e+00 2.66 -1.005297435e+00 -1.005297435e+00 -1.484332456e+00 -1.484332456e+00 -5.958894960e-01 -5.958894960e-01 -1.590658601e+00 -1.590658601e+00 2.68 -9.786824871e-01 -9.786824871e-01 -1.447612482e+00 -1.447612482e+00 -5.821602641e-01 -5.821602641e-01 -1.552856669e+00 -1.552856669e+00 2.70 -9.518200368e-01 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-7.686241032e-01 -1.148119893e+00 -1.148119893e+00 -4.671696591e-01 -4.671696591e-01 -1.238946023e+00 -1.238946023e+00 2.86 -7.443737685e-01 -7.443737685e-01 -1.111981929e+00 -1.111981929e+00 -4.530588040e-01 -4.530588040e-01 -1.201133671e+00 -1.201133671e+00 2.88 -7.207639554e-01 -7.207639554e-01 -1.076399490e+00 -1.076399490e+00 -4.391120928e-01 -4.391120928e-01 -1.163986978e+00 -1.163986978e+00 2.90 -6.978040405e-01 -6.978040405e-01 -1.041430521e+00 -1.041430521e+00 -4.253558284e-01 -4.253558284e-01 -1.127577817e+00 -1.127577817e+00 2.92 -6.754869409e-01 -6.754869409e-01 -1.007127475e+00 -1.007127475e+00 -4.118149079e-01 -4.118149079e-01 -1.091968053e+00 -1.091968053e+00 2.94 -6.537893117e-01 -6.537893117e-01 -9.735360784e-01 -9.735360784e-01 -3.985110615e-01 -3.985110615e-01 -1.057195325e+00 -1.057195325e+00 2.96 -6.326725189e-01 -6.326725189e-01 -9.406961897e-01 -9.406961897e-01 -3.854632916e-01 -3.854632916e-01 -1.023284162e+00 -1.023284162e+00 2.98 -6.121145297e-01 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