# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Cr-Co-Al # implementation = 2025--Sharifi-H--Cr-Co-Al--LAMMPS--ipr1 # composition = CoCr2 # 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 2.037229991e+02 0.92 1.895384763e+02 0.94 1.757782315e+02 0.96 1.624922142e+02 0.98 1.497216114e+02 1.00 1.375127931e+02 1.02 1.259085189e+02 1.04 1.149429550e+02 1.06 1.046393271e+02 1.08 9.500932011e+01 1.10 8.605359186e+01 1.12 7.776293934e+01 1.14 7.011980031e+01 1.16 6.309987732e+01 1.18 5.667373584e+01 1.20 5.080829095e+01 1.22 4.546813189e+01 1.24 4.061665845e+01 1.26 3.621702780e+01 1.28 3.223292202e+01 1.30 2.862914347e+01 1.32 2.537205879e+01 1.34 2.242991182e+01 1.36 1.977302647e+01 1.38 1.737391773e+01 1.40 1.520732956e+01 1.42 1.325021586e+01 1.44 1.148167961e+01 1.46 9.882874168e+00 1.48 8.436883972e+00 1.50 7.128593181e+00 1.52 5.944547133e+00 1.54 4.872811112e+00 1.56 3.902830710e+00 1.58 3.025296659e+00 1.60 2.232015756e+00 1.62 1.515771295e+00 1.64 8.700717088e-01 1.66 2.889689126e-01 1.68 -2.329905482e-01 1.70 -7.008054236e-01 1.72 -1.119057502e+00 1.74 -1.491946161e+00 1.76 -1.823320127e+00 1.78 -2.116707798e+00 1.80 -2.375346309e+00 1.82 -2.602206603e+00 1.84 -2.800015868e+00 1.86 -2.971278014e+00 1.88 -3.118292294e+00 1.90 -3.243168214e+00 1.92 -3.347841464e+00 1.94 -3.434091062e+00 1.96 -3.503552364e+00 1.98 -3.557728831e+00 2.00 -3.598002710e+00 2.02 -3.625712498e+00 2.04 -3.642359593e+00 2.06 -3.649347366e+00 2.08 -3.647909454e+00 2.10 -3.639129552e+00 2.12 -3.623958946e+00 2.14 -3.603232165e+00 2.16 -3.577680912e+00 2.18 -3.547947163e+00 2.20 -3.514596301e+00 2.22 -3.478124087e+00 2.24 -3.438964502e+00 2.26 -3.397497577e+00 2.28 -3.354056332e+00 2.30 -3.308932898e+00 2.32 -3.262383924e+00 2.34 -3.214635338e+00 2.36 -3.165886528e+00 2.38 -3.116313991e+00 2.40 -3.066074535e+00 2.42 -3.015308044e+00 2.44 -2.964139873e+00 2.46 -2.912682909e+00 2.48 -2.861039321e+00 2.50 -2.809302045e+00 2.52 -2.757556028e+00 2.54 -2.705879253e+00 2.56 -2.654343573e+00 2.58 -2.603015388e+00 2.60 -2.551956163e+00 2.62 -2.501222833e+00 2.64 -2.450868099e+00 2.66 -2.400940639e+00 2.68 -2.351485246e+00 2.70 -2.302542919e+00 2.72 -2.254150917e+00 2.74 -2.206342784e+00 2.76 -2.159148367e+00 2.78 -2.112593837e+00 2.80 -2.066701712e+00 2.82 -2.021490907e+00 2.84 -1.976976800e+00 2.86 -1.933171329e+00 2.88 -1.890083116e+00 2.90 -1.847717630e+00 2.92 -1.806077365e+00 2.94 -1.765162062e+00 2.96 -1.724968946e+00 2.98 -1.685492981e+00 3.00 -1.646727149e+00 3.02 -1.608662729e+00 3.04 -1.571289587e+00 3.06 -1.534596457e+00 3.08 -1.498571220e+00 3.10 -1.463201172e+00 3.12 -1.428473266e+00 3.14 -1.394374341e+00 3.16 -1.360891327e+00 3.18 -1.328011423e+00 3.20 -1.295722242e+00 3.22 -1.264011939e+00 3.24 -1.232869303e+00 3.26 -1.202283822e+00 3.28 -1.172245731e+00 3.30 -1.142746024e+00 3.32 -1.113776456e+00 3.34 -1.085329519e+00 3.36 -1.057398405e+00 3.38 -1.029976958e+00 3.40 -1.003059613e+00 3.42 -9.766413273e-01 3.44 -9.507175125e-01 3.46 -9.252839590e-01 3.48 -9.003367636e-01 3.50 -8.758722589e-01 3.52 -8.518869456e-01 3.54 -8.283774309e-01 3.56 -8.053403711e-01 3.58 -7.827724224e-01 3.60 -7.606701970e-01 3.62 -7.390302266e-01 3.64 -7.178489325e-01 3.66 -6.971226013e-01 3.68 -6.768473680e-01 3.70 -6.570192022e-01 3.72 -6.376339008e-01 3.74 -6.186870840e-01 3.76 -6.001741946e-01 3.78 -5.820905007e-01 3.80 -5.644311000e-01 3.82 -5.471909270e-01 3.84 -5.303647603e-01 3.86 -5.139472321e-01 3.88 -4.979328378e-01 3.90 -4.823159460e-01 3.92 -4.670908095e-01 3.94 -4.522515755e-01 3.96 -4.377922962e-01 3.98 -4.237069396e-01 4.00 -4.099893993e-01 4.02 -3.966335051e-01 4.04 -3.836330322e-01 4.06 -3.709817112e-01 4.08 -3.586732367e-01 4.10 -3.467012764e-01 4.12 -3.350594795e-01 4.14 -3.237414845e-01 4.16 -3.127409275e-01 4.18 -3.020514488e-01 4.20 -2.916667005e-01 4.22 -2.815803528e-01 4.24 -2.717861006e-01 4.26 -2.622403588e-01 4.28 -2.521948544e-01 4.30 -2.397067387e-01 4.32 -2.244904033e-01 4.34 -2.145073904e-01 4.36 -2.067471384e-01 4.38 -1.992233610e-01 4.40 -1.919304812e-01 4.42 -1.848629808e-01 4.44 -1.780154044e-01 4.46 -1.713823616e-01 4.48 -1.649585303e-01 4.50 -1.587386593e-01 4.52 -1.527175699e-01 4.54 -1.468901588e-01 4.56 -1.412513994e-01 4.58 -1.357963437e-01 4.60 -1.305201237e-01 4.62 -1.254179525e-01 4.64 -1.204851256e-01 4.66 -1.157170218e-01 4.68 -1.111091038e-01 4.70 -1.066569187e-01 4.72 -1.023560989e-01 4.74 -9.820236193e-02 4.76 -9.419151089e-02 4.78 -9.031943441e-02 4.80 -8.658210659e-02 4.82 -8.297558688e-02 4.84 -7.949601972e-02 4.86 -7.613963426e-02 4.88 -7.290274383e-02 4.90 -6.978174544e-02 4.92 -6.656610733e-02 4.94 -6.074026264e-02 4.96 -4.666075898e-02 4.98 -2.099608406e-02 5.00 -7.288290205e-25 5.02 0.000000000e+00 5.04 0.000000000e+00 5.06 0.000000000e+00 5.08 0.000000000e+00 5.10 0.000000000e+00 5.12 0.000000000e+00 5.14 0.000000000e+00 5.16 0.000000000e+00 5.18 0.000000000e+00 5.20 0.000000000e+00 5.22 0.000000000e+00 5.24 0.000000000e+00 5.26 0.000000000e+00 5.28 0.000000000e+00 5.30 0.000000000e+00 5.32 0.000000000e+00 5.34 0.000000000e+00 5.36 0.000000000e+00 5.38 0.000000000e+00 5.40 0.000000000e+00 5.42 0.000000000e+00 5.44 0.000000000e+00 5.46 0.000000000e+00 5.48 0.000000000e+00 5.50 0.000000000e+00 5.52 0.000000000e+00 5.54 0.000000000e+00 5.56 0.000000000e+00 5.58 0.000000000e+00 5.60 0.000000000e+00 5.62 0.000000000e+00 5.64 0.000000000e+00 5.66 0.000000000e+00 5.68 0.000000000e+00 5.70 0.000000000e+00 5.72 0.000000000e+00 5.74 0.000000000e+00 5.76 0.000000000e+00 5.78 0.000000000e+00 5.80 0.000000000e+00 5.82 0.000000000e+00 5.84 0.000000000e+00 5.86 0.000000000e+00 5.88 0.000000000e+00 5.90 0.000000000e+00 5.92 0.000000000e+00 5.94 0.000000000e+00 5.96 0.000000000e+00 5.98 0.000000000e+00 6.00 0.000000000e+00