# 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 = Co2Ni # 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 C1--CaF2--fluori 0.50 nan 0.52 nan 0.54 nan 0.56 nan 0.58 nan 0.60 nan 0.62 nan 0.64 nan 0.66 nan 0.68 nan 0.70 nan 0.72 nan 0.74 nan 0.76 nan 0.78 nan 0.80 nan 0.82 nan 0.84 nan 0.86 nan 0.88 nan 0.90 nan 0.92 nan 0.94 nan 0.96 2.434031404e+02 0.98 2.225393949e+02 1.00 2.037946648e+02 1.02 1.867208486e+02 1.04 1.708803754e+02 1.06 1.566630012e+02 1.08 1.436699499e+02 1.10 1.317792633e+02 1.12 1.207428338e+02 1.14 1.105586428e+02 1.16 1.013314830e+02 1.18 9.284287675e+01 1.20 8.524852020e+01 1.22 7.808032331e+01 1.24 7.141203293e+01 1.26 6.538667331e+01 1.28 5.981956321e+01 1.30 5.473941243e+01 1.32 4.994817405e+01 1.34 4.569344670e+01 1.36 4.161978736e+01 1.38 3.789005890e+01 1.40 3.443728737e+01 1.42 3.125851574e+01 1.44 2.848181596e+01 1.46 2.593493355e+01 1.48 2.341862385e+01 1.50 2.110214529e+01 1.52 1.902242242e+01 1.54 1.715893542e+01 1.56 1.533565496e+01 1.58 1.368525417e+01 1.60 1.213918647e+01 1.62 1.071733188e+01 1.64 9.410096602e+00 1.66 8.259403656e+00 1.68 7.202494116e+00 1.70 6.179344571e+00 1.72 5.240529200e+00 1.74 4.457527020e+00 1.76 3.661219941e+00 1.78 2.932162518e+00 1.80 2.265256740e+00 1.82 1.723980306e+00 1.84 1.161429481e+00 1.86 7.533492196e-01 1.88 2.770052138e-01 1.90 -1.560932148e-01 1.92 -5.492325938e-01 1.94 -8.655562067e-01 1.96 -1.191079540e+00 1.98 -1.484806707e+00 2.00 -1.749171247e+00 2.02 -1.986426297e+00 2.04 -2.198658493e+00 2.06 -2.387800723e+00 2.08 -2.555643831e+00 2.10 -2.656637855e+00 2.12 -2.764723966e+00 2.14 -2.883596163e+00 2.16 -2.986687695e+00 2.18 -3.075257493e+00 2.20 -3.150472786e+00 2.22 -3.213415845e+00 2.24 -3.185261086e+00 2.26 -3.232543261e+00 2.28 -3.269908652e+00 2.30 -3.298189826e+00 2.32 -3.318158703e+00 2.34 -3.330530907e+00 2.36 -3.335969801e+00 2.38 -3.335090217e+00 2.40 -3.328461914e+00 2.42 -3.316612783e+00 2.44 -3.245138925e+00 2.46 -3.228040694e+00 2.48 -3.206825854e+00 2.50 -3.181899869e+00 2.52 -3.100417061e+00 2.54 -3.072701170e+00 2.56 -3.042083801e+00 2.58 -3.008877184e+00 2.60 -2.973369985e+00 2.62 -2.935828949e+00 2.64 -2.896500431e+00 2.66 -2.855611816e+00 2.68 -2.813372849e+00 2.70 -2.769976864e+00 2.72 -2.725601931e+00 2.74 -2.660237293e+00 2.76 -2.615618410e+00 2.78 -2.570398149e+00 2.80 -2.524708086e+00 2.82 -2.478668922e+00 2.84 -2.432391246e+00 2.86 -2.385976253e+00 2.88 -2.339516406e+00 2.90 -2.293096058e+00 2.92 -2.246792027e+00 2.94 -2.200674138e+00 2.96 -2.154805720e+00 2.98 -2.109244083e+00 3.00 -2.064040946e+00 3.02 -2.019242847e+00 3.04 -1.974891524e+00 3.06 -1.931024267e+00 3.08 -1.887674246e+00 3.10 -1.844870823e+00 3.12 -1.802639833e+00 3.14 -1.761003857e+00 3.16 -1.702179718e+00 3.18 -1.662742281e+00 3.20 -1.623899660e+00 3.22 -1.585666416e+00 3.24 -1.548054799e+00 3.26 -1.511074926e+00 3.28 -1.474734954e+00 3.30 -1.384134608e+00 3.32 -1.351888695e+00 3.34 -1.320154953e+00 3.36 -1.288942314e+00 3.38 -1.258258083e+00 3.40 -1.228108060e+00 3.42 -1.198496663e+00 3.44 -1.169427038e+00 3.46 -1.140901162e+00 3.48 -1.112919941e+00 3.50 -1.085483299e+00 3.52 -1.058590262e+00 3.54 -1.032239038e+00 3.56 -1.006427087e+00 3.58 -9.811511929e-01 3.60 -9.564075237e-01 3.62 -9.321916913e-01 3.64 -9.084988066e-01 3.66 -8.853235302e-01 3.68 -8.626601196e-01 3.70 -8.405024732e-01 3.72 -8.188441712e-01 3.74 -7.976785131e-01 3.76 -7.769985531e-01 3.78 -7.567971323e-01 3.80 -7.370669089e-01 3.82 -7.178003859e-01 3.84 -6.989899368e-01 3.86 -6.389087187e-01 3.88 -6.228100735e-01 3.90 -6.070647136e-01 3.92 -5.916681426e-01 3.94 -5.766156897e-01 3.96 -5.619025316e-01 3.98 -5.475237120e-01 4.00 -5.334741609e-01 4.02 -5.197487114e-01 4.04 -5.063421159e-01 4.06 -4.932490610e-01 4.08 -4.804641811e-01 4.10 -4.679820708e-01 4.12 -4.557972972e-01 4.14 -4.439044101e-01 4.16 -4.322979523e-01 4.18 -4.209724681e-01 4.20 -4.099225126e-01 4.22 -3.991426585e-01 4.24 -3.886275035e-01 4.26 -3.783716764e-01 4.28 -3.683698434e-01 4.30 -3.586167129e-01 4.32 -3.491070404e-01 4.34 -3.398356328e-01 4.36 -3.307973524e-01 4.38 -3.219871203e-01 4.40 -3.133999194e-01 4.42 -3.050307972e-01 4.44 -2.968748683e-01 4.46 -2.889273162e-01 4.48 -2.811833956e-01 4.50 -2.736384337e-01 4.52 -2.662878315e-01 4.54 -2.591270648e-01 4.56 -2.521516857e-01 4.58 -2.453573223e-01 4.60 -2.387396802e-01 4.62 -2.322945423e-01 4.64 -2.260177692e-01 4.66 -2.199052990e-01 4.68 -2.139531479e-01 4.70 -2.081574093e-01 4.72 -2.025142538e-01 4.74 -1.970199291e-01 4.76 -1.916707592e-01 4.78 -1.864631438e-01 4.80 -1.813935580e-01 4.82 -1.764585514e-01 4.84 -1.716547473e-01 4.86 -1.669788423e-01 4.88 -1.624276047e-01 4.90 -1.579978745e-01 4.92 -1.536865618e-01 4.94 -1.494906461e-01 4.96 -1.454071753e-01 4.98 -1.414332648e-01 5.00 -1.375660962e-01 5.02 -1.338029162e-01 5.04 -1.301410362e-01 5.06 -1.265778302e-01 5.08 -1.231107346e-01 5.10 -1.197372465e-01 5.12 -1.164549230e-01 5.14 -1.132613798e-01 5.16 -1.101542903e-01 5.18 -1.071313843e-01 5.20 -1.041904471e-01 5.22 -1.013293183e-01 5.24 -9.854589063e-02 5.26 -9.583810907e-02 5.28 -9.320396956e-02 5.30 -9.064151803e-02 5.32 -8.814884932e-02 5.34 -8.572410617e-02 5.36 -8.336547811e-02 5.38 -8.107120050e-02 5.40 -7.883955349e-02 5.42 -7.666886101e-02 5.44 -7.455748980e-02 5.46 -5.886734626e-02 5.48 -5.729598700e-02 5.50 -5.576603186e-02 5.52 -5.427641906e-02 5.54 -5.282611250e-02 5.56 -5.141410112e-02 5.58 -5.003939848e-02 5.60 -4.870104218e-02 5.62 -4.739809338e-02 5.64 -4.612963628e-02 5.66 -4.489477761e-02 5.68 -4.369264617e-02 5.70 -4.252239234e-02 5.72 -4.138318757e-02 5.74 -4.027422394e-02 5.76 -3.919471370e-02 5.78 -3.814388878e-02 5.80 -3.712100040e-02 5.82 -3.612531857e-02 5.84 -3.515613169e-02 5.86 -3.421274614e-02 5.88 -3.329448581e-02 5.90 -3.240069174e-02 5.92 -3.153072170e-02 5.94 -3.068394980e-02 5.96 -2.985976608e-02 5.98 -2.905757617e-02 6.00 -2.827680089e-02