# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2013--Bonny-G-Castin-N-Terentyev-D--Fe-Ni-Cr # implementation = EAM_Dynamo_BonnyCastinTerentyev_2013_FeNiCr__MO_763197941039_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 1.248983258e+02 1.36 1.151583952e+02 1.38 1.062776528e+02 1.40 9.817372203e+01 1.42 9.077213065e+01 1.44 8.400127562e+01 1.46 7.778999808e+01 1.48 7.206505770e+01 1.50 6.675531246e+01 1.52 6.180537013e+01 1.54 5.716981283e+01 1.56 5.281747587e+01 1.58 4.873005280e+01 1.60 4.489440369e+01 1.62 4.129737457e+01 1.64 3.792579787e+01 1.66 3.476697368e+01 1.68 3.180718055e+01 1.70 2.903383310e+01 1.72 2.643540671e+01 1.74 2.400004294e+01 1.76 2.171682894e+01 1.78 1.957400829e+01 1.80 1.755762629e+01 1.82 1.565394233e+01 1.84 1.385108951e+01 1.86 1.214099865e+01 1.88 1.051778634e+01 1.90 8.978943597e+00 1.92 7.522678124e+00 1.94 6.147627906e+00 1.96 4.853474842e+00 1.98 3.642075188e+00 2.00 2.516433277e+00 2.02 1.479835826e+00 2.04 5.378216403e-01 2.06 -3.061005310e-01 2.08 -1.050199247e+00 2.10 -1.693920570e+00 2.12 -2.236743862e+00 2.14 -2.675757089e+00 2.16 -3.008113404e+00 2.18 -3.243983264e+00 2.20 -3.404619609e+00 2.22 -3.510793560e+00 2.24 -3.583140720e+00 2.26 -3.640216513e+00 2.28 -3.687762897e+00 2.30 -3.726636331e+00 2.32 -3.757679133e+00 2.34 -3.781728584e+00 2.36 -3.799563041e+00 2.38 -3.811259720e+00 2.40 -3.816410160e+00 2.42 -3.814730204e+00 2.44 -3.806241016e+00 2.46 -3.790998086e+00 2.48 -3.769048368e+00 2.50 -3.740429749e+00 2.52 -3.705295804e+00 2.54 -3.664579876e+00 2.56 -3.619694374e+00 2.58 -3.572068951e+00 2.60 -3.523131429e+00 2.62 -3.474304203e+00 2.64 -3.426671375e+00 2.66 -3.380328588e+00 2.68 -3.335007790e+00 2.70 -3.290432504e+00 2.72 -3.246324399e+00 2.74 -3.202413134e+00 2.76 -3.158433279e+00 2.78 -3.114119296e+00 2.80 -3.069205433e+00 2.82 -3.023425660e+00 2.84 -2.976513593e+00 2.86 -2.928202523e+00 2.88 -2.878352083e+00 2.90 -2.827191888e+00 2.92 -2.775007203e+00 2.94 -2.722047154e+00 2.96 -2.668552762e+00 2.98 -2.614763901e+00 3.00 -2.560910252e+00 3.02 -2.507132826e+00 3.04 -2.453521446e+00 3.06 -2.400163440e+00 3.08 -2.347143951e+00 3.10 -2.294543407e+00 3.12 -2.242399483e+00 3.14 -2.190712452e+00 3.16 -2.139477986e+00 3.18 -2.088688301e+00 3.20 -2.038350126e+00 3.22 -1.988492066e+00 3.24 -1.939142731e+00 3.26 -1.890328982e+00 3.28 -1.842075815e+00 3.30 -1.794406234e+00 3.32 -1.747341133e+00 3.34 -1.700859128e+00 3.36 -1.654781956e+00 3.38 -1.608948158e+00 3.40 -1.563342156e+00 3.42 -1.517969755e+00 3.44 -1.472833972e+00 3.46 -1.427934928e+00 3.48 -1.383269730e+00 3.50 -1.338832326e+00 3.52 -1.294613378e+00 3.54 -1.250600079e+00 3.56 -1.206778785e+00 3.58 -1.163209742e+00 3.60 -1.120036976e+00 3.62 -1.077409267e+00 3.64 -1.035475706e+00 3.66 -9.943861207e-01 3.68 -9.542905340e-01 3.70 -9.153397224e-01 3.72 -8.776852128e-01 3.74 -8.414731129e-01 3.76 -8.067439076e-01 3.78 -7.734504043e-01 3.80 -7.414978540e-01 3.82 -7.106771916e-01 3.84 -6.826191632e-01 3.86 -6.565499105e-01 3.88 -6.285663059e-01 3.90 -5.978013436e-01 3.92 -5.667116122e-01 3.94 -5.382101584e-01 3.96 -5.133109583e-01 3.98 -4.920069382e-01 4.00 -4.738515278e-01 4.02 -4.582656948e-01 4.04 -4.446744630e-01 4.06 -4.325476576e-01 4.08 -4.213958658e-01 4.10 -4.107526673e-01 4.12 -4.002356603e-01 4.14 -3.897702619e-01 4.16 -3.793590737e-01 4.18 -3.690039454e-01 4.20 -3.587077585e-01 4.22 -3.484723530e-01 4.24 -3.383006940e-01 4.26 -3.281945736e-01 4.28 -3.181574947e-01 4.30 -3.081903733e-01 4.32 -2.982984414e-01 4.34 -2.884805800e-01 4.36 -2.787435395e-01 4.38 -2.690874833e-01 4.40 -2.595125335e-01 4.42 -2.500322316e-01 4.44 -2.406342716e-01 4.46 -2.313211574e-01 4.48 -2.221206749e-01 4.50 -2.129612903e-01 4.52 -2.036554408e-01 4.54 -1.945362696e-01 4.56 -1.858824561e-01 4.58 -1.779044002e-01 4.60 -1.708802044e-01 4.62 -1.640593782e-01 4.64 -1.567034442e-01 4.66 -1.483810889e-01 4.68 -1.388968843e-01 4.70 -1.282313104e-01 4.72 -1.164273428e-01 4.74 -1.040064799e-01 4.76 -9.159553628e-02 4.78 -7.962829169e-02 4.80 -6.838958799e-02 4.82 -5.805140401e-02 4.84 -4.870201718e-02 4.86 -4.036925585e-02 4.88 -3.303874636e-02 4.90 -2.666796398e-02 4.92 -2.119680712e-02 4.94 -1.655532988e-02 4.96 -1.266918887e-02 4.98 -9.463286369e-03 5.00 -6.864023490e-03 5.02 -4.800513492e-03 5.04 -3.205047566e-03 5.06 -2.013052583e-03 5.08 -1.162732876e-03 5.10 -5.945459013e-04 5.12 -2.506247406e-04 5.14 -7.422873300e-05 5.16 -9.277186706e-06 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