# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Kushnerov-O-I-Ryabtsev-S-I-Bashev-V-F--Co-Cr-Fe-Ni-Mn-Al # implementation = 2025--Kushnerov-O-I--Co-Cr-Fe-Ni-Mn-Al--LAMMPS--ipr1 # composition = FeMn # 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 2025-07-01 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 2.416079723e+02 2.416079723e+02 nan nan 0.86 nan nan nan nan 2.194213549e+02 2.194213549e+02 nan nan 0.88 nan nan nan nan 1.995262417e+02 1.995262417e+02 nan nan 0.90 nan nan nan nan 1.816468208e+02 1.816468208e+02 nan nan 0.92 nan nan nan nan 1.653789730e+02 1.653789730e+02 nan nan 0.94 nan nan nan nan 1.508235470e+02 1.508235470e+02 nan nan 0.96 2.383668662e+02 2.383668662e+02 nan nan 1.375763210e+02 1.375763210e+02 nan nan 0.98 2.182930674e+02 2.182930674e+02 nan nan 1.254241117e+02 1.254241117e+02 nan nan 1.00 2.001564427e+02 2.001564427e+02 nan nan 1.146071660e+02 1.146071660e+02 nan nan 1.02 1.832563405e+02 1.832563405e+02 nan nan 1.046308510e+02 1.046308510e+02 nan nan 1.04 1.681424013e+02 1.681424013e+02 nan nan 9.549015923e+01 9.549015923e+01 nan nan 1.06 1.541354262e+02 1.541354262e+02 nan nan 8.729854604e+01 8.729854604e+01 nan nan 1.08 1.413837191e+02 1.413837191e+02 2.044764606e+02 2.044764606e+02 7.995180649e+01 7.995180649e+01 2.203828275e+02 2.203828275e+02 1.10 1.298729770e+02 1.298729770e+02 1.885577768e+02 1.885577768e+02 7.313765578e+01 7.313765578e+01 2.033092716e+02 2.033092716e+02 1.12 1.190645976e+02 1.190645976e+02 1.736761836e+02 1.736761836e+02 6.688318881e+01 6.688318881e+01 1.875452402e+02 1.875452402e+02 1.14 1.091276159e+02 1.091276159e+02 1.599256960e+02 1.599256960e+02 6.109693784e+01 6.109693784e+01 1.730763854e+02 1.730763854e+02 1.16 1.001761547e+02 1.001761547e+02 1.474290346e+02 1.474290346e+02 5.588775142e+01 5.588775142e+01 1.597390201e+02 1.597390201e+02 1.18 9.203014144e+01 9.203014144e+01 1.358545393e+02 1.358545393e+02 5.112801956e+01 5.112801956e+01 1.474991735e+02 1.474991735e+02 1.20 8.432032505e+01 8.432032505e+01 1.255134429e+02 1.255134429e+02 4.681999504e+01 4.681999504e+01 1.361052264e+02 1.361052264e+02 1.22 7.734505979e+01 7.734505979e+01 1.156567731e+02 1.156567731e+02 4.283870632e+01 4.283870632e+01 1.257397788e+02 1.257397788e+02 1.24 7.107174558e+01 7.107174558e+01 1.064862131e+02 1.064862131e+02 3.911005795e+01 3.911005795e+01 1.160270272e+02 1.160270272e+02 1.26 6.511910891e+01 6.511910891e+01 9.820943681e+01 9.820943681e+01 3.573052992e+01 3.573052992e+01 1.071532767e+02 1.071532767e+02 1.28 5.961439551e+01 5.961439551e+01 9.045884058e+01 9.045884058e+01 3.265291817e+01 3.265291817e+01 9.888783660e+01 9.888783660e+01 1.30 5.459376058e+01 5.459376058e+01 8.333869845e+01 8.333869845e+01 2.989069542e+01 2.989069542e+01 9.118726572e+01 9.118726572e+01 1.32 4.989684716e+01 4.989684716e+01 7.664529096e+01 7.664529096e+01 2.724121858e+01 2.724121858e+01 8.409337796e+01 8.409337796e+01 1.34 4.557487144e+01 4.557487144e+01 7.068690453e+01 7.068690453e+01 2.485030922e+01 2.485030922e+01 7.750531451e+01 7.750531451e+01 1.36 4.167067232e+01 4.167067232e+01 6.494498860e+01 6.494498860e+01 2.261720887e+01 2.261720887e+01 7.143577392e+01 7.143577392e+01 1.38 3.815431483e+01 3.815431483e+01 5.965598621e+01 5.965598621e+01 2.058679083e+01 2.058679083e+01 6.584078237e+01 6.584078237e+01 1.40 3.475458222e+01 3.475458222e+01 5.474579828e+01 5.474579828e+01 1.870372103e+01 1.870372103e+01 6.065641726e+01 6.065641726e+01 1.42 3.170069558e+01 3.170069558e+01 5.020400815e+01 5.020400815e+01 1.697476375e+01 1.697476375e+01 5.585330068e+01 5.585330068e+01 1.44 2.880800160e+01 2.880800160e+01 4.621657288e+01 4.621657288e+01 1.549425498e+01 1.549425498e+01 5.131163265e+01 5.131163265e+01 1.46 2.621714507e+01 2.621714507e+01 4.246670457e+01 4.246670457e+01 1.418670729e+01 1.418670729e+01 4.714261230e+01 4.714261230e+01 1.48 2.375424228e+01 2.375424228e+01 3.882773389e+01 3.882773389e+01 1.281791643e+01 1.281791643e+01 4.335629152e+01 4.335629152e+01 1.50 2.159895668e+01 2.159895668e+01 3.546035367e+01 3.546035367e+01 1.156095683e+01 1.156095683e+01 3.974086135e+01 3.974086135e+01 1.52 1.949667097e+01 1.949667097e+01 3.242328996e+01 3.242328996e+01 1.040655800e+01 1.040655800e+01 3.644844225e+01 3.644844225e+01 1.54 1.771076847e+01 1.771076847e+01 2.968074759e+01 2.968074759e+01 9.421453290e+00 9.421453290e+00 3.333377643e+01 3.333377643e+01 1.56 1.591172321e+01 1.591172321e+01 2.698748468e+01 2.698748468e+01 8.439679072e+00 8.439679072e+00 3.045388933e+01 3.045388933e+01 1.58 1.427551261e+01 1.427551261e+01 2.452200523e+01 2.452200523e+01 7.564880170e+00 7.564880170e+00 2.782924312e+01 2.782924312e+01 1.60 1.274884632e+01 1.274884632e+01 2.221310237e+01 2.221310237e+01 6.734302758e+00 6.734302758e+00 2.536683252e+01 2.536683252e+01 1.62 1.134385672e+01 1.134385672e+01 2.007677777e+01 2.007677777e+01 5.971766085e+00 5.971766085e+00 2.303349749e+01 2.303349749e+01 1.64 1.005116343e+01 1.005116343e+01 1.810033095e+01 1.810033095e+01 5.271805673e+00 5.271805673e+00 2.087155283e+01 2.087155283e+01 1.66 8.862145198e+00 8.862145198e+00 1.634841905e+01 1.634841905e+01 4.629420784e+00 4.629420784e+00 1.886857408e+01 1.886857408e+01 1.68 7.768873030e+00 7.768873030e+00 1.472415561e+01 1.472415561e+01 4.077078824e+00 4.077078824e+00 1.706400120e+01 1.706400120e+01 1.70 6.916055073e+00 6.916055073e+00 1.314675862e+01 1.314675862e+01 3.532896269e+00 3.532896269e+00 1.544176241e+01 1.544176241e+01 1.72 5.978425186e+00 5.978425186e+00 1.168893101e+01 1.168893101e+01 3.034011396e+00 3.034011396e+00 1.383622523e+01 1.383622523e+01 1.74 5.117717054e+00 5.117717054e+00 1.041878409e+01 1.041878409e+01 2.653604124e+00 2.653604124e+00 1.240041822e+01 1.240041822e+01 1.76 4.403656630e+00 4.403656630e+00 9.167676521e+00 9.167676521e+00 2.227742107e+00 2.227742107e+00 1.102058961e+01 1.102058961e+01 1.78 3.672731154e+00 3.672731154e+00 8.012806708e+00 8.012806708e+00 1.838001186e+00 1.838001186e+00 9.848363431e+00 9.848363431e+00 1.80 3.003178216e+00 3.003178216e+00 6.947278133e+00 6.947278133e+00 1.481556274e+00 1.481556274e+00 8.658799904e+00 8.658799904e+00 1.82 2.417670386e+00 2.417670386e+00 6.067147268e+00 6.067147268e+00 1.155809888e+00 1.155809888e+00 7.585422434e+00 7.585422434e+00 1.84 1.854855668e+00 1.854855668e+00 5.152511995e+00 5.152511995e+00 8.583725501e-01 8.583725501e-01 6.567783680e+00 6.567783680e+00 1.86 1.340731338e+00 1.340731338e+00 4.459880773e+00 4.459880773e+00 6.618678614e-01 6.618678614e-01 5.680580637e+00 5.680580637e+00 1.88 8.716171672e-01 8.716171672e-01 3.671648175e+00 3.671648175e+00 4.080467196e-01 4.080467196e-01 4.809361860e+00 4.809361860e+00 1.90 5.243095746e-01 5.243095746e-01 2.946984216e+00 2.946984216e+00 1.770206360e-01 1.770206360e-01 4.056590177e+00 4.056590177e+00 1.92 1.284123096e-01 1.284123096e-01 2.281348383e+00 2.281348383e+00 -3.298013184e-02 -3.298013184e-02 3.339834708e+00 3.339834708e+00 1.94 -2.313498291e-01 -2.313498291e-01 1.709814768e+00 1.709814768e+00 -1.842987713e-01 -1.842987713e-01 2.652488138e+00 2.652488138e+00 1.96 -5.577191367e-01 -5.577191367e-01 1.146594413e+00 1.146594413e+00 -3.603160460e-01 -3.603160460e-01 2.046483182e+00 2.046483182e+00 1.98 -8.532335710e-01 -8.532335710e-01 6.309168155e-01 6.309168155e-01 -5.195563338e-01 -5.195563338e-01 1.463606325e+00 1.463606325e+00 2.00 -1.040447853e+00 -1.040447853e+00 1.593822537e-01 1.593822537e-01 -6.633238245e-01 -6.633238245e-01 9.286899858e-01 9.286899858e-01 2.02 -1.287624029e+00 -1.287624029e+00 -2.711688250e-01 -2.711688250e-01 -7.928225405e-01 -7.928225405e-01 4.383684961e-01 4.383684961e-01 2.04 -1.509958454e+00 -1.509958454e+00 -6.636736387e-01 -6.636736387e-01 -9.091643957e-01 -9.091643957e-01 8.160777744e-02 8.160777744e-02 2.06 -1.709360221e+00 -1.709360221e+00 -1.020863470e+00 -1.020863470e+00 -1.013376562e+00 -1.013376562e+00 -3.360677339e-01 -3.360677339e-01 2.08 -1.887597996e+00 -1.887597996e+00 -1.345278759e+00 -1.345278759e+00 -1.106408209e+00 -1.106408209e+00 -7.173212994e-01 -7.173212994e-01 2.10 -1.991515032e+00 -1.991515032e+00 -1.567763739e+00 -1.567763739e+00 -1.155364524e+00 -1.155364524e+00 -1.050681565e+00 -1.050681565e+00 2.12 -2.094352329e+00 -2.094352329e+00 -1.806233305e+00 -1.806233305e+00 -1.212951980e+00 -1.212951980e+00 -1.355968476e+00 -1.355968476e+00 2.14 -2.225655121e+00 -2.225655121e+00 -2.053535978e+00 -2.053535978e+00 -1.281283915e+00 -1.281283915e+00 -1.644620266e+00 -1.644620266e+00 2.16 -2.341107608e+00 -2.341107608e+00 -2.275985874e+00 -2.275985874e+00 -1.341270989e+00 -1.341270989e+00 -1.892946662e+00 -1.892946662e+00 2.18 -2.441962223e+00 -2.441962223e+00 -2.475402754e+00 -2.475402754e+00 -1.393577949e+00 -1.393577949e+00 -2.103974678e+00 -2.103974678e+00 2.20 -2.529379998e+00 -2.529379998e+00 -2.653480843e+00 -2.653480843e+00 -1.438819898e+00 -1.438819898e+00 -2.319344700e+00 -2.319344700e+00 2.22 -2.604437291e+00 -2.604437291e+00 -2.811797668e+00 -2.811797668e+00 -1.477566095e+00 -1.477566095e+00 -2.512671563e+00 -2.512671563e+00 2.24 -2.628825909e+00 -2.628825909e+00 -2.873210095e+00 -2.873210095e+00 -1.431731293e+00 -1.431731293e+00 -2.685550252e+00 -2.685550252e+00 2.26 -2.684958410e+00 -2.684958410e+00 -3.002061044e+00 -3.002061044e+00 -1.464778096e+00 -1.464778096e+00 -2.839467773e+00 -2.839467773e+00 2.28 -2.731301617e+00 -2.731301617e+00 -3.114842942e+00 -3.114842942e+00 -1.492376345e+00 -1.492376345e+00 -2.975810588e+00 -2.975810588e+00 2.30 -2.768665799e+00 -2.768665799e+00 -3.212772806e+00 -3.212772806e+00 -1.514974425e+00 -1.514974425e+00 -3.095871516e+00 -3.095871516e+00 2.32 -2.797802112e+00 -2.797802112e+00 -3.296984094e+00 -3.296984094e+00 -1.532987591e+00 -1.532987591e+00 -3.143035908e+00 -3.143035908e+00 2.34 -2.819406857e+00 -2.819406857e+00 -3.368532444e+00 -3.368532444e+00 -1.546800428e+00 -1.546800428e+00 -3.238166218e+00 -3.238166218e+00 2.36 -2.834125423e+00 -2.834125423e+00 -3.428400995e+00 -3.428400995e+00 -1.556769111e+00 -1.556769111e+00 -3.268400941e+00 -3.268400941e+00 2.38 -2.842555939e+00 -2.842555939e+00 -3.477505334e+00 -3.477505334e+00 -1.563223503e+00 -1.563223503e+00 -3.341745935e+00 -3.341745935e+00 2.40 -2.845252655e+00 -2.845252655e+00 -3.516698092e+00 -3.516698092e+00 -1.566469081e+00 -1.566469081e+00 -3.403576789e+00 -3.403576789e+00 2.42 -2.842729072e+00 -2.842729072e+00 -3.546773206e+00 -3.546773206e+00 -1.566788722e+00 -1.566788722e+00 -3.403470225e+00 -3.403470225e+00 2.44 -2.835460854e+00 -2.835460854e+00 -3.486006760e+00 -3.486006760e+00 -1.564444353e+00 -1.564444353e+00 -3.448360257e+00 -3.448360257e+00 2.46 -2.823888512e+00 -2.823888512e+00 -3.505536684e+00 -3.505536684e+00 -1.559678473e+00 -1.559678473e+00 -3.483979384e+00 -3.483979384e+00 2.48 -2.808419908e+00 -2.808419908e+00 -3.517648520e+00 -3.517648520e+00 -1.552715563e+00 -1.552715563e+00 -3.511060933e+00 -3.511060933e+00 2.50 -2.789432565e+00 -2.789432565e+00 -3.522962828e+00 -3.522962828e+00 -1.543763390e+00 -1.543763390e+00 -3.530288534e+00 -3.530288534e+00 2.52 -2.767275822e+00 -2.767275822e+00 -3.446092156e+00 -3.446092156e+00 -1.495031715e+00 -1.495031715e+00 -3.542299401e+00 -3.542299401e+00 2.54 -2.742272828e+00 -2.742272828e+00 -3.444483252e+00 -3.444483252e+00 -1.485153076e+00 -1.485153076e+00 -3.520224912e+00 -3.520224912e+00 2.56 -2.714722390e+00 -2.714722390e+00 -3.437366653e+00 -3.437366653e+00 -1.473657285e+00 -1.473657285e+00 -3.521313007e+00 -3.521313007e+00 2.58 -2.604582318e+00 -2.604582318e+00 -3.425228386e+00 -3.425228386e+00 -1.460706983e+00 -1.460706983e+00 -3.516733555e+00 -3.516733555e+00 2.60 -2.577857824e+00 -2.577857824e+00 -3.408520490e+00 -3.408520490e+00 -1.446452635e+00 -1.446452635e+00 -3.506973950e+00 -3.506973950e+00 2.62 -2.549028676e+00 -2.549028676e+00 -3.387663267e+00 -3.387663267e+00 -1.431033385e+00 -1.431033385e+00 -3.492488097e+00 -3.492488097e+00 2.64 -2.518332738e+00 -2.518332738e+00 -3.363047386e+00 -3.363047386e+00 -1.414577865e+00 -1.414577865e+00 -3.473698602e+00 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-3.205731694e+00 2.80 -2.228666778e+00 -2.228666778e+00 -3.052859679e+00 -3.052859679e+00 -1.241647249e+00 -1.241647249e+00 -3.167347247e+00 -3.167347247e+00 2.82 -2.109507351e+00 -2.109507351e+00 -3.008974373e+00 -3.008974373e+00 -1.221240883e+00 -1.221240883e+00 -3.127185238e+00 -3.127185238e+00 2.84 -2.074460695e+00 -2.074460695e+00 -2.963921348e+00 -2.963921348e+00 -1.200587012e+00 -1.200587012e+00 -3.085458177e+00 -3.085458177e+00 2.86 -2.038935432e+00 -2.038935432e+00 -2.917873636e+00 -2.917873636e+00 -1.179741305e+00 -1.179741305e+00 -3.042363101e+00 -3.042363101e+00 2.88 -2.003034528e+00 -2.003034528e+00 -2.870991055e+00 -2.870991055e+00 -1.158754863e+00 -1.158754863e+00 -2.998082580e+00 -2.998082580e+00 2.90 -1.966852504e+00 -1.966852504e+00 -2.823421099e+00 -2.823421099e+00 -1.137674538e+00 -1.137674538e+00 -2.952785663e+00 -2.952785663e+00 2.92 -1.930476028e+00 -1.930476028e+00 -2.775299752e+00 -2.775299752e+00 -1.116543237e+00 -1.116543237e+00 -2.880754339e+00 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