# 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 = CoNi2 # 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 2.353558917e+02 0.98 2.152011868e+02 1.00 1.971023511e+02 1.02 1.806209859e+02 1.04 1.653106195e+02 1.06 1.515794834e+02 1.08 1.390297327e+02 1.10 1.275423723e+02 1.12 1.168716719e+02 1.14 1.070198199e+02 1.16 9.809614012e+01 1.18 8.988614125e+01 1.20 8.255067680e+01 1.22 7.561496655e+01 1.24 6.915783066e+01 1.26 6.332850182e+01 1.28 5.793793635e+01 1.30 5.302146771e+01 1.32 4.837801117e+01 1.34 4.426407084e+01 1.36 4.031386158e+01 1.38 3.669755389e+01 1.40 3.334833736e+01 1.42 3.026443215e+01 1.44 2.757464066e+01 1.46 2.511030467e+01 1.48 2.266668492e+01 1.50 2.041678689e+01 1.52 1.840091344e+01 1.54 1.659303634e+01 1.56 1.482066906e+01 1.58 1.321735533e+01 1.60 1.171390191e+01 1.62 1.033103683e+01 1.64 9.059464844e+00 1.66 7.944171105e+00 1.68 6.916863380e+00 1.70 5.920758382e+00 1.72 5.006641223e+00 1.74 4.247583983e+00 1.76 3.471747988e+00 1.78 2.761356179e+00 1.80 2.111460237e+00 1.82 1.589349540e+00 1.84 1.040651772e+00 1.86 6.451630536e-01 1.88 1.802551543e-01 1.90 -2.424651858e-01 1.92 -6.261950214e-01 1.94 -9.332832930e-01 1.96 -1.251139653e+00 1.98 -1.537938878e+00 2.00 -1.796050923e+00 2.02 -2.027670534e+00 2.04 -2.234830734e+00 2.06 -2.419415183e+00 2.08 -2.583169533e+00 2.10 -2.680502339e+00 2.12 -2.785316699e+00 2.14 -2.901271677e+00 2.16 -3.001768474e+00 2.18 -3.088036621e+00 2.20 -3.161216396e+00 2.22 -3.222365360e+00 2.24 -3.191210480e+00 2.26 -3.237194199e+00 2.28 -3.273436378e+00 2.30 -3.300752324e+00 2.32 -3.319898176e+00 2.34 -3.331575141e+00 2.36 -3.336433416e+00 2.38 -3.335075817e+00 2.40 -3.328061143e+00 2.42 -3.315907297e+00 2.44 -3.241248385e+00 2.46 -3.224130972e+00 2.48 -3.202947221e+00 2.50 -3.178095943e+00 2.52 -3.096725440e+00 2.54 -3.069154021e+00 2.56 -3.038708389e+00 2.58 -3.005696363e+00 2.60 -2.970402644e+00 2.62 -2.933090418e+00 2.64 -2.894002855e+00 2.66 -2.853364494e+00 2.68 -2.811382542e+00 2.70 -2.768248077e+00 2.72 -2.724137174e+00 2.74 -2.658678274e+00 2.76 -2.614339629e+00 2.78 -2.569396800e+00 2.80 -2.523980195e+00 2.82 -2.478209506e+00 2.84 -2.432194458e+00 2.86 -2.386035511e+00 2.88 -2.339824512e+00 2.90 -2.293645300e+00 2.92 -2.247574277e+00 2.94 -2.201680936e+00 2.96 -2.156028353e+00 2.98 -2.110673649e+00 3.00 -2.065668417e+00 3.02 -2.021059124e+00 3.04 -1.976887484e+00 3.06 -1.933190805e+00 3.08 -1.890002314e+00 3.10 -1.847351460e+00 3.12 -1.805264196e+00 3.14 -1.763763243e+00 3.16 -1.704100697e+00 3.18 -1.664819317e+00 3.20 -1.626123300e+00 3.22 -1.588027447e+00 3.24 -1.550544253e+00 3.26 -1.513684095e+00 3.28 -1.477455393e+00 3.30 -1.386958141e+00 3.32 -1.354807418e+00 3.34 -1.323161238e+00 3.36 -1.292028808e+00 3.38 -1.261417706e+00 3.40 -1.231334008e+00 3.42 -1.201782402e+00 3.44 -1.172766302e+00 3.46 -1.144287951e+00 3.48 -1.116348515e+00 3.50 -1.088948172e+00 3.52 -1.062086200e+00 3.54 -1.035761051e+00 3.56 -1.009970425e+00 3.58 -9.847113390e-01 3.60 -9.599801865e-01 3.62 -9.357728006e-01 3.64 -9.120845060e-01 3.66 -8.889101705e-01 3.68 -8.662442522e-01 3.70 -8.440808437e-01 3.72 -8.224137125e-01 3.74 -8.012363392e-01 3.76 -7.805419521e-01 3.78 -7.603235604e-01 3.80 -7.405739837e-01 3.82 -7.212858803e-01 3.84 -7.024517727e-01 3.86 -6.416091631e-01 3.88 -6.255067621e-01 3.90 -6.097553270e-01 3.92 -5.943504985e-01 3.94 -5.792877381e-01 3.96 -5.645623491e-01 3.98 -5.501694974e-01 4.00 -5.361042298e-01 4.02 -5.223614918e-01 4.04 -5.089361432e-01 4.06 -4.958229737e-01 4.08 -4.830167162e-01 4.10 -4.705120597e-01 4.12 -4.583036614e-01 4.14 -4.463861571e-01 4.16 -4.347541717e-01 4.18 -4.234023282e-01 4.20 -4.123252559e-01 4.22 -4.015175989e-01 4.24 -3.909740224e-01 4.26 -3.806892199e-01 4.28 -3.706579184e-01 4.30 -3.608748845e-01 4.32 -3.513349289e-01 4.34 -3.420329107e-01 4.36 -3.329637417e-01 4.38 -3.241223899e-01 4.40 -3.155038825e-01 4.42 -3.071033088e-01 4.44 -2.989158230e-01 4.46 -2.909366459e-01 4.48 -2.831610674e-01 4.50 -2.755844476e-01 4.52 -2.682022185e-01 4.54 -2.610098855e-01 4.56 -2.540030275e-01 4.58 -2.471772987e-01 4.60 -2.405284285e-01 4.62 -2.340522221e-01 4.64 -2.277445610e-01 4.66 -2.216014029e-01 4.68 -2.156187819e-01 4.70 -2.097928081e-01 4.72 -2.041196678e-01 4.74 -1.985956228e-01 4.76 -1.932170102e-01 4.78 -1.879802420e-01 4.80 -1.828818042e-01 4.82 -1.779182565e-01 4.84 -1.730862314e-01 4.86 -1.683824336e-01 4.88 -1.638036391e-01 4.90 -1.593466943e-01 4.92 -1.550085152e-01 4.94 -1.507860866e-01 4.96 -1.466764609e-01 4.98 -1.426767573e-01 5.00 -1.387841606e-01 5.02 -1.349959204e-01 5.04 -1.313093500e-01 5.06 -1.277218253e-01 5.08 -1.242307837e-01 5.10 -1.208337232e-01 5.12 -1.175282012e-01 5.14 -1.143118332e-01 5.16 -1.111822922e-01 5.18 -1.081373073e-01 5.20 -1.051746625e-01 5.22 -1.022921962e-01 5.24 -9.948779931e-02 5.26 -9.675941483e-02 5.28 -9.410503649e-02 5.30 -9.152270779e-02 5.32 -8.901052093e-02 5.34 -8.656661579e-02 5.36 -8.418917887e-02 5.38 -8.187644234e-02 5.40 -7.962668300e-02 5.42 -7.743822130e-02 5.44 -7.530942037e-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