# 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 = FeNi # 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 1.723625296e+05 1.723625296e+05 nan nan 0.90 nan nan nan nan 1.315417326e+05 1.315417326e+05 nan nan 0.92 nan nan nan nan 1.009782048e+05 1.009782048e+05 nan nan 0.94 nan nan nan nan 7.795097041e+04 7.795097041e+04 nan nan 0.96 nan nan nan nan 6.049763325e+04 6.049763325e+04 nan nan 0.98 nan nan nan nan 4.719300331e+04 4.719300331e+04 nan nan 1.00 5.678041502e+04 5.678041502e+04 nan nan 3.699510735e+04 3.699510735e+04 nan nan 1.02 4.471654441e+04 4.471654441e+04 nan nan 2.913725793e+04 2.913725793e+04 nan nan 1.04 3.537422432e+04 3.537422432e+04 nan nan 2.305184983e+04 2.305184983e+04 nan nan 1.06 2.810436000e+04 2.810436000e+04 nan nan 1.831618284e+04 1.831618284e+04 nan nan 1.08 2.242082478e+04 2.242082478e+04 nan nan 1.461367981e+04 1.461367981e+04 nan nan 1.10 1.795755724e+04 1.795755724e+04 nan nan 1.170594906e+04 1.170594906e+04 nan nan 1.12 1.443745780e+04 1.443745780e+04 2.122868929e+04 2.122868929e+04 9.412532461e+03 9.412532461e+03 2.494734416e+04 2.494734416e+04 1.14 1.164970845e+04 1.164970845e+04 1.712988463e+04 1.712988463e+04 7.596135107e+03 7.596135107e+03 2.013316872e+04 2.013316872e+04 1.16 9.433136126e+03 9.433136126e+03 1.387084966e+04 1.387084966e+04 6.151790214e+03 6.151790214e+03 1.630507155e+04 1.630507155e+04 1.18 7.663942085e+03 7.663942085e+03 1.126957363e+04 1.126957363e+04 4.998870128e+03 4.998870128e+03 1.324936037e+04 1.324936037e+04 1.20 6.246604696e+03 6.246604696e+03 9.185618589e+03 9.185618589e+03 4.075162010e+03 4.075162010e+03 1.080114917e+04 1.080114917e+04 1.22 5.107099383e+03 5.107099383e+03 7.510150847e+03 7.510150847e+03 3.332452441e+03 3.332452441e+03 8.832654105e+03 8.832654105e+03 1.24 4.187818074e+03 4.187818074e+03 6.158472059e+03 6.158472059e+03 2.733219125e+03 2.733219125e+03 7.244426704e+03 7.244426704e+03 1.26 3.443744410e+03 3.443744410e+03 5.064398333e+03 5.064398333e+03 2.248140622e+03 2.248140622e+03 5.958754127e+03 5.958754127e+03 1.28 2.839563474e+03 2.839563474e+03 4.176008800e+03 4.176008800e+03 1.854213853e+03 1.854213853e+03 4.914668732e+03 4.914668732e+03 1.30 2.347465872e+03 2.347465872e+03 3.452415062e+03 3.452415062e+03 1.533323170e+03 1.533323170e+03 4.064157151e+03 4.064157151e+03 1.32 1.945470921e+03 1.945470921e+03 2.861298980e+03 2.861298980e+03 1.271149238e+03 1.271149238e+03 3.369268115e+03 3.369268115e+03 1.34 1.616142124e+03 1.616142124e+03 2.377025270e+03 2.377025270e+03 1.056333331e+03 1.056333331e+03 2.799896447e+03 2.799896447e+03 1.36 1.345600102e+03 1.345600102e+03 1.979188274e+03 1.979188274e+03 8.798336556e+02 8.798336556e+02 2.332077537e+03 2.332077537e+03 1.38 1.122759949e+03 1.122759949e+03 1.651491099e+03 1.651491099e+03 7.344283113e+02 7.344283113e+02 1.946671112e+03 1.946671112e+03 1.40 9.387401743e+02 9.387401743e+02 1.380876413e+03 1.380876413e+03 6.143303378e+02 6.143303378e+02 1.628340697e+03 1.628340697e+03 1.42 7.864028782e+02 7.864028782e+02 1.156848973e+03 1.156848973e+03 5.148882228e+02 5.148882228e+02 1.364759190e+03 1.364759190e+03 1.44 6.599936735e+02 6.599936735e+02 9.709469290e+02 9.709469290e+02 4.323517167e+02 4.323517167e+02 1.145988052e+03 1.145988052e+03 1.46 5.548598628e+02 5.548598628e+02 8.163282703e+02 8.163282703e+02 3.636884007e+02 3.636884007e+02 9.639906724e+02 9.639906724e+02 1.48 4.672282963e+02 4.672282963e+02 6.874450643e+02 6.874450643e+02 3.064393113e+02 3.064393113e+02 8.122497112e+02 8.122497112e+02 1.50 3.940307515e+02 3.940307515e+02 5.797864975e+02 5.797864975e+02 2.586051449e+02 2.586051449e+02 6.854649631e+02 6.854649631e+02 1.52 3.327655168e+02 3.327655168e+02 4.896746409e+02 4.896746409e+02 2.185556933e+02 2.185556933e+02 5.793143931e+02 5.793143931e+02 1.54 2.813875712e+02 2.813875712e+02 4.141028267e+02 4.141028267e+02 1.849582741e+02 1.849582741e+02 4.902645879e+02 4.902645879e+02 1.56 2.382208877e+02 2.382208877e+02 3.506067826e+02 3.506067826e+02 1.567203777e+02 1.567203777e+02 4.154194698e+02 4.154194698e+02 1.58 2.018886088e+02 2.018886088e+02 2.971616800e+02 2.971616800e+02 1.329440255e+02 1.329440255e+02 3.523992954e+02 3.523992954e+02 1.60 1.712567252e+02 1.712567252e+02 2.521001533e+02 2.521001533e+02 1.128896667e+02 1.128896667e+02 2.992438139e+02 2.992438139e+02 1.62 1.453891798e+02 1.453891798e+02 2.140457586e+02 2.140457586e+02 9.594682917e+01 9.594682917e+01 2.543344785e+02 2.543344785e+02 1.64 1.235111031e+02 1.235111031e+02 1.818591120e+02 1.818591120e+02 8.161016450e+01 8.161016450e+01 2.163319966e+02 2.163319966e+02 1.66 1.049799102e+02 1.049799102e+02 1.545952791e+02 1.545952791e+02 6.946051860e+01 6.946051860e+01 1.841257539e+02 1.841257539e+02 1.68 8.926166106e+01 8.926166106e+01 1.314690088e+02 1.314690088e+02 5.914949372e+01 5.914949372e+01 1.567926001e+02 1.567926001e+02 1.70 7.591173433e+01 7.591173433e+01 1.118264193e+02 1.118264193e+02 5.038688693e+01 5.038688693e+01 1.335635746e+02 1.335635746e+02 1.72 6.455921443e+01 6.455921443e+01 9.512203555e+01 9.512203555e+01 4.293054288e+01 4.293054288e+01 1.137970323e+02 1.137970323e+02 1.74 5.489416879e+01 5.489416879e+01 8.090002632e+01 8.090002632e+01 3.657805645e+01 3.657805645e+01 9.695658878e+01 9.695658878e+01 1.76 4.665725669e+01 4.665725669e+01 6.877863150e+01 6.877863150e+01 3.115997472e+01 3.115997472e+01 8.259309302e+01 8.259309302e+01 1.78 3.963102384e+01 3.963102384e+01 5.843733681e+01 5.843733681e+01 2.653405795e+01 2.653405795e+01 7.032969240e+01 7.032969240e+01 1.80 3.363243999e+01 3.363243999e+01 4.960669921e+01 4.960669921e+01 2.258073747e+01 2.258073747e+01 5.984943268e+01 5.984943268e+01 1.82 2.850726237e+01 2.850726237e+01 4.205991952e+01 4.205991952e+01 1.919937990e+01 1.919937990e+01 5.088532832e+01 5.088532832e+01 1.84 2.412544654e+01 2.412544654e+01 3.560566897e+01 3.560566897e+01 1.630501601e+01 1.630501601e+01 4.321215415e+01 4.321215415e+01 1.86 2.037708424e+01 2.037708424e+01 3.008234361e+01 3.008234361e+01 1.382581815e+01 1.382581815e+01 3.663960855e+01 3.663960855e+01 1.88 1.716905488e+01 1.716905488e+01 2.535331791e+01 2.535331791e+01 1.170102088e+01 1.170102088e+01 3.100659824e+01 3.100659824e+01 1.90 1.442243617e+01 1.442243617e+01 2.130295319e+01 2.130295319e+01 9.879140012e+00 9.879140012e+00 2.617646291e+01 2.617646291e+01 1.92 1.207025812e+01 1.207025812e+01 1.783327545e+01 1.783327545e+01 8.316509403e+00 8.316509403e+00 2.203324686e+01 2.203324686e+01 1.94 1.005557816e+01 1.005557816e+01 1.486101708e+01 1.486101708e+01 6.976061367e+00 6.976061367e+00 1.847842150e+01 1.847842150e+01 1.96 8.329934961e+00 8.329934961e+00 1.231515022e+01 1.231515022e+01 5.826201031e+00 5.826201031e+00 1.542815236e+01 1.542815236e+01 1.98 6.852073416e+00 6.852073416e+00 1.013491789e+01 1.013491789e+01 4.839883660e+00 4.839883660e+00 1.281094968e+01 1.281094968e+01 2.00 5.586851947e+00 5.586851947e+00 8.268453776e+00 8.268453776e+00 3.994017417e+00 3.994017417e+00 1.056580986e+01 1.056580986e+01 2.02 4.504212192e+00 4.504212192e+00 6.671475300e+00 6.671475300e+00 3.268876277e+00 3.268876277e+00 8.640559300e+00 8.640559300e+00 2.04 3.578379746e+00 3.578379746e+00 5.306144859e+00 5.306144859e+00 2.647582106e+00 2.647582106e+00 6.990537009e+00 6.990537009e+00 2.06 2.787316200e+00 2.787316200e+00 4.140000933e+00 4.140000933e+00 2.115615658e+00 2.115615658e+00 5.577459510e+00 5.577459510e+00 2.08 2.112181564e+00 2.112181564e+00 3.145226376e+00 3.145226376e+00 1.660520153e+00 1.660520153e+00 4.368466233e+00 4.368466233e+00 2.10 1.536868283e+00 1.536868283e+00 2.297965760e+00 2.297965760e+00 1.271608716e+00 1.271608716e+00 3.335359922e+00 3.335359922e+00 2.12 1.047504906e+00 1.047504906e+00 1.577726093e+00 1.577726093e+00 9.396975817e-01 9.396975817e-01 2.453953902e+00 2.453953902e+00 2.14 6.321703154e-01 6.321703154e-01 9.668950244e-01 9.668950244e-01 6.568930377e-01 6.568930377e-01 1.703480634e+00 1.703480634e+00 2.16 2.806506159e-01 2.806506159e-01 4.503339975e-01 4.503339975e-01 4.164116519e-01 4.164116519e-01 1.066003436e+00 1.066003436e+00 2.18 -1.581098016e-02 -1.581098016e-02 1.503412958e-02 1.503412958e-02 2.124283335e-01 2.124283335e-01 5.259830642e-01 5.259830642e-01 2.20 -2.647123273e-01 -2.647123273e-01 -3.501750508e-01 -3.501750508e-01 3.994785354e-02 3.994785354e-02 7.001450628e-02 7.001450628e-02 2.22 -4.724985605e-01 -4.724985605e-01 -6.549132148e-01 -6.549132148e-01 -1.053243126e-01 -1.053243126e-01 -3.134704305e-01 -3.134704305e-01 2.24 -6.448362220e-01 -6.448362220e-01 -9.075986289e-01 -9.075986289e-01 -2.271440023e-01 -2.271440023e-01 -6.344854571e-01 -6.344854571e-01 2.26 -7.866495745e-01 -7.866495745e-01 -1.115529247e+00 -1.115529247e+00 -3.287550853e-01 -3.287550853e-01 -9.016678721e-01 -9.016678721e-01 2.28 -9.021921771e-01 -9.021921771e-01 -1.285001822e+00 -1.285001822e+00 -4.129406234e-01 -4.129406234e-01 -1.122475287e+00 -1.122475287e+00 2.30 -9.951372591e-01 -9.951372591e-01 -1.421450247e+00 -1.421450247e+00 -4.820876798e-01 -4.820876798e-01 -1.303385816e+00 -1.303385816e+00 2.32 -1.068649715e+00 -1.068649715e+00 -1.529557348e+00 -1.529557348e+00 -5.382364203e-01 -5.382364203e-01 -1.450024113e+00 -1.450024113e+00 2.34 -1.125427104e+00 -1.125427104e+00 -1.613350599e+00 -1.613350599e+00 -5.831223855e-01 -5.831223855e-01 -1.567253792e+00 -1.567253792e+00 2.36 -1.167809981e+00 -1.167809981e+00 -1.676339578e+00 -1.676339578e+00 -6.182683544e-01 -6.182683544e-01 -1.659273516e+00 -1.659273516e+00 2.38 -1.197868325e+00 -1.197868325e+00 -1.721633958e+00 -1.721633958e+00 -6.450634707e-01 -6.450634707e-01 -1.729699569e+00 -1.729699569e+00 2.40 -1.217408670e+00 -1.217408670e+00 -1.751935387e+00 -1.751935387e+00 -6.647219768e-01 -6.647219768e-01 -1.781632546e+00 -1.781632546e+00 2.42 -1.228005997e+00 -1.228005997e+00 -1.769582133e+00 -1.769582133e+00 -6.782996197e-01 -6.782996197e-01 -1.817712450e+00 -1.817712450e+00 2.44 -1.231034061e+00 -1.231034061e+00 -1.776593343e+00 -1.776593343e+00 -6.867138697e-01 -6.867138697e-01 -1.840205048e+00 -1.840205048e+00 2.46 -1.227691317e+00 -1.227691317e+00 -1.774706836e+00 -1.774706836e+00 -6.907612588e-01 -6.907612588e-01 -1.851095225e+00 -1.851095225e+00 2.48 -1.219023053e+00 -1.219023053e+00 -1.765411325e+00 -1.765411325e+00 -6.911322448e-01 -6.911322448e-01 -1.852112865e+00 -1.852112865e+00 2.50 -1.205940284e+00 -1.205940284e+00 -1.749973876e+00 -1.749973876e+00 -6.884239504e-01 -6.884239504e-01 -1.844785314e+00 -1.844785314e+00 2.52 -1.189235838e+00 -1.189235838e+00 -1.729463251e+00 -1.729463251e+00 -6.831510744e-01 -6.831510744e-01 -1.830422803e+00 -1.830422803e+00 2.54 -1.169598047e+00 -1.169598047e+00 -1.704769727e+00 -1.704769727e+00 -6.757552287e-01 -6.757552287e-01 -1.810151064e+00 -1.810151064e+00 2.56 -1.147622357e+00 -1.147622357e+00 -1.676621992e+00 -1.676621992e+00 -6.666129188e-01 -6.666129188e-01 -1.784981718e+00 -1.784981718e+00 2.58 -1.123821125e+00 -1.123821125e+00 -1.645633822e+00 -1.645633822e+00 -6.560423540e-01 -6.560423540e-01 -1.755806028e+00 -1.755806028e+00 2.60 -1.098629085e+00 -1.098629085e+00 -1.612363779e+00 -1.612363779e+00 -6.443092467e-01 -6.443092467e-01 -1.723390620e+00 -1.723390620e+00 2.62 -1.072408349e+00 -1.072408349e+00 -1.577270530e+00 -1.577270530e+00 -6.316317383e-01 -6.316317383e-01 -1.688388974e+00 -1.688388974e+00 2.64 -1.045459849e+00 -1.045459849e+00 -1.540732466e+00 -1.540732466e+00 -6.181904813e-01 -6.181904813e-01 -1.651361043e+00 -1.651361043e+00 2.66 -1.018028730e+00 -1.018028730e+00 -1.503120152e+00 -1.503120152e+00 -6.041638527e-01 -6.041638527e-01 -1.612784412e+00 -1.612784412e+00 2.68 -9.903081824e-01 -9.903081824e-01 -1.464771363e+00 -1.464771363e+00 -5.897149947e-01 -5.897149947e-01 -1.573068235e+00 -1.573068235e+00 2.70 -9.624428765e-01 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