# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2019--Mendelev-M-I--Fe-Ni-Cr # implementation = EAM_Dynamo_MendelevBorovikov_2020_FeNiCr__MO_922363340570_000 # composition = Fe2Ni # 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 2022-05-24 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 nan 0.98 nan 1.00 nan 1.02 nan 1.04 nan 1.06 nan 1.08 nan 1.10 nan 1.12 nan 1.14 nan 1.16 nan 1.18 nan 1.20 nan 1.22 nan 1.24 nan 1.26 nan 1.28 nan 1.30 nan 1.32 nan 1.34 nan 1.36 nan 1.38 nan 1.40 nan 1.42 nan 1.44 nan 1.46 nan 1.48 nan 1.50 nan 1.52 nan 1.54 nan 1.56 nan 1.58 nan 1.60 nan 1.62 nan 1.64 nan 1.66 6.884838520e+03 1.68 4.941422469e+03 1.70 3.525200773e+03 1.72 2.497820823e+03 1.74 1.756366844e+03 1.76 1.224444363e+03 1.78 8.453803982e+02 1.80 5.772702629e+02 1.82 3.892428674e+02 1.84 2.586464560e+02 1.86 1.689361845e+02 1.88 1.080910102e+02 1.90 6.742479985e+01 1.92 4.069816249e+01 1.94 2.346487899e+01 1.96 1.259279899e+01 1.98 5.902582698e+00 2.00 1.898858821e+00 2.02 -4.273715637e-01 2.04 -1.742529889e+00 2.06 -2.474437224e+00 2.08 -2.887524717e+00 2.10 -3.136819361e+00 2.12 -3.283824955e+00 2.14 -3.366781320e+00 2.16 -3.424656623e+00 2.18 -3.475029966e+00 2.20 -3.522989619e+00 2.22 -3.565159587e+00 2.24 -3.600055751e+00 2.26 -3.634462479e+00 2.28 -3.670464410e+00 2.30 -3.702025639e+00 2.32 -3.723394052e+00 2.34 -3.731818193e+00 2.36 -3.727201259e+00 2.38 -3.710941005e+00 2.40 -3.684558081e+00 2.42 -3.649132667e+00 2.44 -3.605531456e+00 2.46 -3.554978116e+00 2.48 -3.499574649e+00 2.50 -3.442707355e+00 2.52 -3.389326198e+00 2.54 -3.344669569e+00 2.56 -3.311290147e+00 2.58 -3.289071665e+00 2.60 -3.276050316e+00 2.62 -3.269177213e+00 2.64 -3.264933459e+00 2.66 -3.259833308e+00 2.68 -3.250894097e+00 2.70 -3.235997118e+00 2.72 -3.214110212e+00 2.74 -3.185344749e+00 2.76 -3.150815576e+00 2.78 -3.112268470e+00 2.80 -3.071435557e+00 2.82 -3.029197190e+00 2.84 -2.985813410e+00 2.86 -2.941716860e+00 2.88 -2.897463364e+00 2.90 -2.853577796e+00 2.92 -2.810400484e+00 2.94 -2.767940341e+00 2.96 -2.725791626e+00 2.98 -2.683518387e+00 3.00 -2.640996249e+00 3.02 -2.598352641e+00 3.04 -2.555853831e+00 3.06 -2.513784103e+00 3.08 -2.472398932e+00 3.10 -2.431912223e+00 3.12 -2.392506178e+00 3.14 -2.354357148e+00 3.16 -2.317649758e+00 3.18 -2.282512043e+00 3.20 -2.248982677e+00 3.22 -2.217021688e+00 3.24 -2.186526093e+00 3.26 -2.157347559e+00 3.28 -2.129310643e+00 3.30 -2.102230363e+00 3.32 -2.075928080e+00 3.34 -2.050244825e+00 3.36 -2.025051464e+00 3.38 -2.000255254e+00 3.40 -1.975802573e+00 3.42 -1.951677788e+00 3.44 -1.927898455e+00 3.46 -1.904507216e+00 3.48 -1.881560995e+00 3.50 -1.859118262e+00 3.52 -1.837225372e+00 3.54 -1.815903165e+00 3.56 -1.795135217e+00 3.58 -1.774859364e+00 3.60 -1.754964268e+00 3.62 -1.735293064e+00 3.64 -1.715656271e+00 3.66 -1.695856395e+00 3.68 -1.675726791e+00 3.70 -1.655170960e+00 3.72 -1.634133322e+00 3.74 -1.612570482e+00 3.76 -1.590451034e+00 3.78 -1.567756379e+00 3.80 -1.544481311e+00 3.82 -1.520634354e+00 3.84 -1.496237809e+00 3.86 -1.471327496e+00 3.88 -1.445952170e+00 3.90 -1.420172569e+00 3.92 -1.394060094e+00 3.94 -1.367695069e+00 3.96 -1.341164574e+00 3.98 -1.314559819e+00 4.00 -1.287973031e+00 4.02 -1.261493838e+00 4.04 -1.235205109e+00 4.06 -1.209178234e+00 4.08 -1.183467824e+00 4.10 -1.158105786e+00 4.12 -1.133094766e+00 4.14 -1.108400923e+00 4.16 -1.083946012e+00 4.18 -1.059608989e+00 4.20 -1.035288587e+00 4.22 -1.010940849e+00 4.24 -9.865671026e-01 4.26 -9.622009047e-01 4.28 -9.378968143e-01 4.30 -9.137208827e-01 4.32 -8.897427178e-01 4.34 -8.660289996e-01 4.36 -8.426383292e-01 4.38 -8.196173007e-01 4.40 -7.969976921e-01 4.42 -7.747946770e-01 4.44 -7.530059480e-01 4.46 -7.316117194e-01 4.48 -7.105754394e-01 4.50 -6.898452630e-01 4.52 -6.693560813e-01 4.54 -6.490321657e-01 4.56 -6.287903226e-01 4.58 -6.085435062e-01 4.60 -5.882048683e-01 4.62 -5.676922121e-01 4.64 -5.469328128e-01 4.66 -5.258685928e-01 4.68 -5.044616424e-01 4.70 -4.827001127e-01 4.72 -4.606044697e-01 4.74 -4.382337779e-01 4.76 -4.156927801e-01 4.78 -3.931396402e-01 4.80 -3.707922523e-01 4.82 -3.489319165e-01 4.84 -3.278370095e-01 4.86 -3.077237821e-01 4.88 -2.887451241e-01 4.90 -2.710064537e-01 4.92 -2.545619636e-01 4.94 -2.394366122e-01 4.96 -2.256205383e-01 4.98 -2.130681618e-01 5.00 -2.017338426e-01 5.02 -1.915393936e-01 5.04 -1.822604289e-01 5.06 -1.739235556e-01 5.08 -1.665631666e-01 5.10 -1.601603817e-01 5.12 -1.547309973e-01 5.14 -1.500166005e-01 5.16 -1.455399749e-01 5.18 -1.409158811e-01 5.20 -1.359460860e-01 5.22 -1.306460873e-01 5.24 -1.250542288e-01 5.26 -1.192431966e-01 5.28 -1.131679121e-01 5.30 -1.067740288e-01 5.32 -1.000679077e-01 5.34 -9.309556886e-02 5.36 -8.592478671e-02 5.38 -7.862951799e-02 5.40 -7.140699721e-02 5.42 -6.441964447e-02 5.44 -5.776772730e-02 5.46 -5.150828524e-02 5.48 -4.566910401e-02 5.50 -4.025883851e-02 5.52 -3.527417442e-02 5.54 -3.070474380e-02 5.56 -2.653636455e-02 5.58 -2.275305478e-02 5.60 -1.933817420e-02 5.62 -1.627496560e-02 5.64 -1.354670445e-02 5.66 -1.113661317e-02 5.68 -9.027655473e-03 5.70 -7.202293887e-03 5.72 -5.642268338e-03 5.74 -4.328434214e-03 5.76 -3.240683647e-03 5.78 -2.357962583e-03 5.80 -1.658387962e-03 5.82 -1.119463297e-03 5.84 -7.183865674e-04 5.86 -4.324411705e-04 5.88 -2.394584339e-04 5.90 -1.183385238e-04 5.92 -4.961536079e-05 5.94 -1.605016606e-05 5.96 -3.237432927e-06 5.98 -2.063549422e-07 6.00 8.437820996e-13