# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2017--Bonny-G-Bakaev-A-Olsson-P-et-al--Fe-Cr-Ni # implementation = 2017--Bonny-G--Fe-Cr-Ni--LAMMPS--ipr1 # composition = CrNi3 # 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 2024-01-04 r A15--Cr3Si D0_3--BiF3 L1_2--AuCu3 0.50 nan nan nan 0.52 nan nan nan 0.54 nan nan nan 0.56 nan nan nan 0.58 nan nan nan 0.60 nan nan nan 0.62 nan nan nan 0.64 nan nan nan 0.66 nan nan nan 0.68 nan nan nan 0.70 nan nan nan 0.72 nan nan nan 0.74 nan nan nan 0.76 nan nan nan 0.78 nan nan nan 0.80 nan nan nan 0.82 nan nan nan 0.84 nan nan nan 0.86 1.346567159e+03 nan nan 0.88 1.235912173e+03 nan nan 0.90 1.135168808e+03 nan nan 0.92 1.043474026e+03 nan nan 0.94 9.600037265e+02 nan nan 0.96 8.839578254e+02 1.236290292e+03 1.367895119e+03 0.98 8.145724132e+02 1.143939046e+03 1.267754906e+03 1.00 7.511367587e+02 1.059179396e+03 1.176001011e+03 1.02 6.930445438e+02 9.812963210e+02 1.091801820e+03 1.04 6.397586286e+02 9.096872486e+02 1.014362307e+03 1.06 5.908291092e+02 8.437932529e+02 9.430356456e+02 1.08 5.458688573e+02 7.831272025e+02 8.769180179e+02 1.10 5.045147030e+02 7.272358916e+02 8.158626728e+02 1.12 4.664151219e+02 6.756821248e+02 7.594391525e+02 1.14 4.312423709e+02 6.280526083e+02 7.071988038e+02 1.16 3.986864913e+02 5.839517874e+02 6.587001382e+02 1.18 3.684772606e+02 5.430239254e+02 6.135907299e+02 1.20 3.403801901e+02 5.049458531e+02 5.716303131e+02 1.22 3.141698542e+02 4.694200068e+02 5.325891543e+02 1.24 2.892948446e+02 4.362579297e+02 4.962450464e+02 1.26 2.658087655e+02 4.053122144e+02 4.623785567e+02 1.28 2.437718178e+02 3.764393429e+02 4.307751335e+02 1.30 2.231171396e+02 3.494997978e+02 4.012298844e+02 1.32 2.037823950e+02 3.241302222e+02 3.735436884e+02 1.34 1.857077013e+02 3.004283862e+02 3.475259010e+02 1.36 1.688169108e+02 2.782669829e+02 3.230497787e+02 1.38 1.530667751e+02 2.575189372e+02 3.000367059e+02 1.40 1.384051258e+02 2.380570870e+02 2.784099977e+02 1.42 1.247786676e+02 2.197621493e+02 2.581004203e+02 1.44 1.121352563e+02 2.025525731e+02 2.390419124e+02 1.46 1.004300969e+02 1.863776480e+02 2.211700211e+02 1.48 8.962233068e+01 1.711885613e+02 2.044216197e+02 1.50 7.971288620e+01 1.569397495e+02 1.887356708e+02 1.52 7.059881656e+01 1.433364833e+02 1.736737867e+02 1.54 6.230166775e+01 1.305738331e+02 1.595316917e+02 1.56 5.476800515e+01 1.186278670e+02 1.462761805e+02 1.58 4.794596746e+01 1.074599692e+02 1.338470360e+02 1.60 4.178805686e+01 9.705511463e+01 1.221880156e+02 1.62 3.625021844e+01 8.738921514e+01 1.112454685e+02 1.64 3.129042154e+01 7.842718130e+01 1.009687716e+02 1.66 2.686796292e+01 7.016636319e+01 9.132999224e+01 1.68 2.294280515e+01 6.256675615e+01 8.235273404e+01 1.70 1.947497441e+01 5.558634715e+01 7.402712268e+01 1.72 1.642469092e+01 4.918605299e+01 6.631588888e+01 1.74 1.375210980e+01 4.332910609e+01 5.918533644e+01 1.76 1.141705087e+01 3.798244574e+01 5.260431125e+01 1.78 9.379356906e+00 3.311691420e+01 4.654390474e+01 1.80 7.599655036e+00 2.870444551e+01 4.097703443e+01 1.82 6.043698864e+00 2.471752364e+01 3.587804059e+01 1.84 4.683040037e+00 2.112891435e+01 3.122229879e+01 1.86 3.490224688e+00 1.791124596e+01 2.698517472e+01 1.88 2.437953314e+00 1.503701252e+01 2.314281188e+01 1.90 1.503004931e+00 1.247882451e+01 1.967202211e+01 1.92 6.742887300e-01 1.020951868e+01 1.654935073e+01 1.94 -5.681471656e-02 8.202332831e+00 1.375112451e+01 1.96 -6.986033791e-01 6.431025812e+00 1.125337104e+01 1.98 -1.258837884e+00 4.869785830e+00 9.031860943e+00 2.00 -1.744998654e+00 3.493411067e+00 7.062457322e+00 2.02 -2.164303046e+00 2.281471105e+00 5.322554845e+00 2.04 -2.523547683e+00 1.221024911e+00 3.794536788e+00 2.06 -2.828953149e+00 3.002286274e-01 2.462834207e+00 2.08 -3.085863916e+00 -4.926088257e-01 1.312271995e+00 2.10 -3.298556975e+00 -1.168523173e+00 3.279459908e-01 2.12 -3.470938642e+00 -1.738234566e+00 -5.048176518e-01 2.14 -3.606718060e+00 -2.212266504e+00 -1.200565804e+00 2.16 -3.709447449e+00 -2.600977049e+00 -1.773720068e+00 2.18 -3.782598300e+00 -2.914588191e+00 -2.238448448e+00 2.20 -3.829681521e+00 -3.162943263e+00 -2.608725381e+00 2.22 -3.854157829e+00 -3.355607156e+00 -2.898380719e+00 2.24 -3.859397283e+00 -3.501896295e+00 -3.121086017e+00 2.26 -3.848637496e+00 -3.610884402e+00 -3.290323311e+00 2.28 -3.824987478e+00 -3.691323363e+00 -3.419339698e+00 2.30 -3.791536900e+00 -3.751583262e+00 -3.521089593e+00 2.32 -3.751013581e+00 -3.798731437e+00 -3.606410510e+00 2.34 -3.704547268e+00 -3.835116514e+00 -3.678710774e+00 2.36 -3.652897414e+00 -3.861785657e+00 -3.739374069e+00 2.38 -3.596855048e+00 -3.879684384e+00 -3.789629459e+00 2.40 -3.537239320e+00 -3.889662827e+00 -3.830535161e+00 2.42 -3.474876739e+00 -3.892454687e+00 -3.862855618e+00 2.44 -3.410578672e+00 -3.888680708e+00 -3.887216237e+00 2.46 -3.345122731e+00 -3.878868091e+00 -3.904155156e+00 2.48 -3.279232385e+00 -3.863397154e+00 -3.914129390e+00 2.50 -3.213557067e+00 -3.842461470e+00 -3.917517774e+00 2.52 -3.148659249e+00 -3.816205984e+00 -3.914620674e+00 2.54 -3.085003498e+00 -3.784807926e+00 -3.905656779e+00 2.56 -3.022826074e+00 -3.748488735e+00 -3.890776881e+00 2.58 -2.962051223e+00 -3.707514327e+00 -3.870142785e+00 2.60 -2.902523749e+00 -3.662209286e+00 -3.843975990e+00 2.62 -2.844081749e+00 -3.612954494e+00 -3.812563551e+00 2.64 -2.786552881e+00 -3.560174798e+00 -3.776251190e+00 2.66 -2.729759054e+00 -3.504334264e+00 -3.735425641e+00 2.68 -2.673524345e+00 -3.445932095e+00 -3.690552107e+00 2.70 -2.617683783e+00 -3.385497756e+00 -3.642137586e+00 2.72 -2.562092988e+00 -3.323582563e+00 -3.590700336e+00 2.74 -2.506638623e+00 -3.260721203e+00 -3.536760297e+00 2.76 -2.451249636e+00 -3.197389127e+00 -3.480828618e+00 2.78 -2.395907735e+00 -3.133982903e+00 -3.423396728e+00 2.80 -2.340634405e+00 -3.070805724e+00 -3.364925353e+00 2.82 -2.285463613e+00 -3.008075347e+00 -3.305833850e+00 2.84 -2.230437738e+00 -2.945972110e+00 -3.246488759e+00 2.86 -2.175607153e+00 -2.884610355e+00 -3.187114593e+00 2.88 -2.121029613e+00 -2.824009722e+00 -3.127740479e+00 2.90 -2.066769414e+00 -2.764172178e+00 -3.068318761e+00 2.92 -2.012896298e+00 -2.705089858e+00 -3.008786464e+00 2.94 -1.959484288e+00 -2.646745949e+00 -2.949097647e+00 2.96 -1.906610403e+00 -2.589115848e+00 -2.889233742e+00 2.98 -1.854353261e+00 -2.532168580e+00 -2.829206541e+00 3.00 -1.802791576e+00 -2.475868521e+00 -2.769064391e+00 3.02 -1.752002166e+00 -2.420177391e+00 -2.708883370e+00 3.04 -1.702057165e+00 -2.365056554e+00 -2.648746009e+00 3.06 -1.653021618e+00 -2.310469586e+00 -2.588737170e+00 3.08 -1.604951518e+00 -2.256385124e+00 -2.528943391e+00 3.10 -1.557892136e+00 -2.202779975e+00 -2.469452203e+00 3.12 -1.511876597e+00 -2.149642472e+00 -2.410351435e+00 3.14 -1.466924668e+00 -2.096976050e+00 -2.351728508e+00 3.16 -1.423042932e+00 -2.044803026e+00 -2.293669742e+00 3.18 -1.380230786e+00 -1.993168187e+00 -2.236259658e+00 3.20 -1.338484403e+00 -1.942134485e+00 -2.179580308e+00 3.22 -1.297797370e+00 -1.891770012e+00 -2.123710619e+00 3.24 -1.258161171e+00 -1.842142733e+00 -2.068725754e+00 3.26 -1.219565588e+00 -1.793319266e+00 -2.014696521e+00 3.28 -1.181987348e+00 -1.745363499e+00 -1.961688799e+00 3.30 -1.145371437e+00 -1.698334907e+00 -1.909763005e+00 3.32 -1.109656870e+00 -1.652287143e+00 -1.858973606e+00 3.34 -1.074795792e+00 -1.607266701e+00 -1.809368662e+00 3.36 -1.040752572e+00 -1.563311634e+00 -1.760989428e+00 3.38 -1.007502219e+00 -1.520450440e+00 -1.713869945e+00 3.40 -9.750290350e-01 -1.478701091e+00 -1.668036287e+00 3.42 -9.433253393e-01 -1.438070926e+00 -1.623505635e+00 3.44 -9.123874610e-01 -1.398560018e+00 -1.580285719e+00 3.46 -8.822017790e-01 -1.360163288e+00 -1.538374469e+00 3.48 -8.527132067e-01 -1.322870763e+00 -1.497759827e+00 3.50 -8.238717328e-01 -1.286667841e+00 -1.458419702e+00 3.52 -7.956291660e-01 -1.251536263e+00 -1.420322034e+00 3.54 -7.679091546e-01 -1.217454892e+00 -1.383425017e+00 3.56 -7.406383141e-01 -1.184387024e+00 -1.347679522e+00 3.58 -7.137634168e-01 -1.152243306e+00 -1.313034209e+00 3.60 -6.872668498e-01 -1.120920203e+00 -1.279437718e+00 3.62 -6.611597245e-01 -1.090361085e+00 -1.246840060e+00 3.64 -6.354739999e-01 -1.060517756e+00 -1.215194050e+00 3.66 -6.102357849e-01 -1.031349274e+00 -1.184451891e+00 3.68 -5.854453695e-01 -1.002821203e+00 -1.154549744e+00 3.70 -5.610108128e-01 -9.749063590e-01 -1.125414306e+00 3.72 -5.368923137e-01 -9.475832881e-01 -1.096978948e+00 3.74 -5.131375477e-01 -9.208307635e-01 -1.069185185e+00 3.76 -4.898075009e-01 -8.946150289e-01 -1.041982034e+00 3.78 -4.669628827e-01 -8.688753973e-01 -1.015325390e+00 3.80 -4.446675073e-01 -8.435617289e-01 -9.891774406e-01 3.82 -4.229812104e-01 -8.186277373e-01 -9.635061512e-01 3.84 -4.019575736e-01 -7.940066255e-01 -9.382835275e-01 3.86 -3.816457346e-01 -7.696341695e-01 -9.134796350e-01 3.88 -3.620890503e-01 -7.454540475e-01 -8.890402944e-01 3.90 -3.432897276e-01 -7.214340358e-01 -8.649012218e-01 3.92 -3.252008926e-01 -6.975610915e-01 -8.410134268e-01 3.94 -3.078017483e-01 -6.738415772e-01 -8.173147269e-01 3.96 -2.910669835e-01 -6.502948011e-01 -7.937342588e-01 3.98 -2.749745114e-01 -6.269382086e-01 -7.702059887e-01 4.00 -2.595283246e-01 -6.037700907e-01 -7.466813480e-01 4.02 -2.447315247e-01 -5.807977062e-01 -7.231376671e-01 4.04 -2.306189851e-01 -5.580439869e-01 -6.995744105e-01 4.06 -2.172022032e-01 -5.355431213e-01 -6.760063690e-01 4.08 -2.044194898e-01 -5.133349439e-01 -6.524615549e-01 4.10 -1.922397224e-01 -4.914664524e-01 -6.289453437e-01 4.12 -1.806238652e-01 -4.699760817e-01 -6.054566179e-01 4.14 -1.695164287e-01 -4.488165994e-01 -5.819058707e-01 4.16 -1.589360487e-01 -4.280053046e-01 -5.583017822e-01 4.18 -1.490174673e-01 -4.075668510e-01 -5.346902746e-01 4.20 -1.398258811e-01 -3.875402504e-01 -5.111291483e-01 4.22 -1.312630444e-01 -3.679719208e-01 -4.876778852e-01 4.24 -1.232560131e-01 -3.489256118e-01 -4.644004755e-01 4.26 -1.157416706e-01 -3.303784412e-01 -4.413618751e-01 4.28 -1.087213732e-01 -3.122834048e-01 -4.186234275e-01 4.30 -1.020488063e-01 -2.945961224e-01 -3.962516496e-01 4.32 -9.556699865e-02 -2.772886638e-01 -3.743078849e-01 4.34 -8.917229218e-02 -2.604909767e-01 -3.528277110e-01 4.36 -8.281191340e-02 -2.443349035e-01 -3.318435520e-01 4.38 -7.654196154e-02 -2.287776582e-01 -3.114007555e-01 4.40 -7.045020679e-02 -2.137794123e-01 -2.915228375e-01 4.42 -6.459918505e-02 -1.993052599e-01 -2.721183206e-01 4.44 -5.903093788e-02 -1.852757925e-01 -2.531575706e-01 4.46 -5.377146271e-02 -1.715247060e-01 -2.346123422e-01 4.48 -4.883437328e-02 -1.580892995e-01 -2.168556143e-01 4.50 -4.416269610e-02 -1.450391873e-01 -2.000932260e-01 4.52 -3.972153506e-02 -1.324441885e-01 -1.841791536e-01 4.54 -3.554182924e-02 -1.203997904e-01 -1.690746437e-01 4.56 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