# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2017--Tehranchi-A-Curtin-W-A--Ni-H # implementation = EAM_Dynamo_TehranchiCurtin_2010_NiH__MO_535504325462_003 # composition = HNi2 # 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 2024-11-27 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 1.048283856e+01 1.46 8.858714311e+00 1.48 7.399468655e+00 1.50 6.092844940e+00 1.52 4.926191469e+00 1.54 3.887773560e+00 1.56 2.966663567e+00 1.58 2.151936089e+00 1.60 1.431591611e+00 1.62 7.936978003e-01 1.64 2.295040472e-01 1.66 -2.696856451e-01 1.68 -7.136151208e-01 1.70 -1.108387948e+00 1.72 -1.455996818e+00 1.74 -1.760470475e+00 1.76 -2.026628873e+00 1.78 -2.259133145e+00 1.80 -2.462419363e+00 1.82 -2.640336682e+00 1.84 -2.795489233e+00 1.86 -2.928488575e+00 1.88 -3.039706403e+00 1.90 -3.131927933e+00 1.92 -3.208105895e+00 1.94 -3.270303801e+00 1.96 -3.320071524e+00 1.98 -3.358762828e+00 2.00 -3.387555828e+00 2.02 -3.407407880e+00 2.04 -3.418909630e+00 2.06 -3.422095510e+00 2.08 -3.416236117e+00 2.10 -3.400118969e+00 2.12 -3.372732782e+00 2.14 -3.333945780e+00 2.16 -3.286088578e+00 2.18 -3.233556573e+00 2.20 -3.178540966e+00 2.22 -3.121672125e+00 2.24 -3.063502715e+00 2.26 -3.004589108e+00 2.28 -2.945496382e+00 2.30 -2.886786251e+00 2.32 -2.829009567e+00 2.34 -2.772624540e+00 2.36 -2.717901104e+00 2.38 -2.664743088e+00 2.40 -2.612621465e+00 2.42 -2.560891987e+00 2.44 -2.509270167e+00 2.46 -2.457649860e+00 2.48 -2.405919078e+00 2.50 -2.354031802e+00 2.52 -2.302008263e+00 2.54 -2.249783872e+00 2.56 -2.197298518e+00 2.58 -2.144741690e+00 2.60 -2.092608511e+00 2.62 -2.041351672e+00 2.64 -1.991115560e+00 2.66 -1.941975787e+00 2.68 -1.894033107e+00 2.70 -1.847401883e+00 2.72 -1.802211744e+00 2.74 -1.758613418e+00 2.76 -1.716776519e+00 2.78 -1.676893781e+00 2.80 -1.639175422e+00 2.82 -1.603840020e+00 2.84 -1.571090912e+00 2.86 -1.541074588e+00 2.88 -1.513808993e+00 2.90 -1.489088043e+00 2.92 -1.466399908e+00 2.94 -1.444984607e+00 2.96 -1.424160687e+00 2.98 -1.403646267e+00 3.00 -1.383400754e+00 3.02 -1.363411596e+00 3.04 -1.343663971e+00 3.06 -1.324144806e+00 3.08 -1.304838563e+00 3.10 -1.285731289e+00 3.12 -1.266808025e+00 3.14 -1.248053902e+00 3.16 -1.229453930e+00 3.18 -1.210993503e+00 3.20 -1.192657828e+00 3.22 -1.174432062e+00 3.24 -1.156302093e+00 3.26 -1.138253936e+00 3.28 -1.120273826e+00 3.30 -1.102348211e+00 3.32 -1.084464196e+00 3.34 -1.066609128e+00 3.36 -1.048770714e+00 3.38 -1.030937162e+00 3.40 -1.013098128e+00 3.42 -9.952424702e-01 3.44 -9.773600929e-01 3.46 -9.594413371e-01 3.48 -9.414778579e-01 3.50 -9.234608232e-01 3.52 -9.053830143e-01 3.54 -8.872371792e-01 3.56 -8.690165328e-01 3.58 -8.507172421e-01 3.60 -8.323313617e-01 3.62 -8.138558308e-01 3.64 -7.952906621e-01 3.66 -7.766222247e-01 3.68 -7.578547085e-01 3.70 -7.390006233e-01 3.72 -7.197539120e-01 3.74 -7.002170136e-01 3.76 -6.809983387e-01 3.78 -6.625536818e-01 3.80 -6.454340180e-01 3.82 -6.284970241e-01 3.84 -6.100796036e-01 3.86 -5.891078880e-01 3.88 -5.650243333e-01 3.90 -5.377882357e-01 3.92 -5.086952894e-01 3.94 -4.792290521e-01 3.96 -4.504532974e-01 3.98 -4.230815413e-01 4.00 -3.975440669e-01 4.02 -3.740490116e-01 4.04 -3.526378920e-01 4.06 -3.332291644e-01 4.08 -3.156491632e-01 4.10 -2.996458708e-01 4.12 -2.848963466e-01 4.14 -2.710234872e-01 4.16 -2.576534929e-01 4.18 -2.445122176e-01 4.20 -2.314855589e-01 4.22 -2.185666324e-01 4.24 -2.057714710e-01 4.26 -1.931180534e-01 4.28 -1.806261662e-01 4.30 -1.683145675e-01 4.32 -1.562041938e-01 4.34 -1.443186469e-01 4.36 -1.326790506e-01 4.38 -1.213094468e-01 4.40 -1.102409627e-01 4.42 -9.950682211e-02 4.44 -8.915077532e-02 4.46 -7.919117983e-02 4.48 -6.964112722e-02 4.50 -6.052533898e-02 4.52 -5.187801918e-02 4.54 -4.369377430e-02 4.56 -3.605366332e-02 4.58 -2.907031910e-02 4.60 -2.282427675e-02 4.62 -1.736756591e-02 4.64 -1.272638531e-02 4.66 -8.902660660e-03 4.68 -5.874331602e-03 4.70 -3.594451615e-03 4.72 -1.989691223e-03 4.74 -9.597353339e-04 4.76 -3.801367698e-04 4.78 -1.119168609e-04 4.80 -2.047205130e-05 4.82 -1.627146954e-06 4.84 -2.447375734e-08 4.86 -3.552795300e-12 4.88 -5.757963668e-16 4.90 -1.240854633e-30 4.92 0.000000000e+00 4.94 0.000000000e+00 4.96 0.000000000e+00 4.98 0.000000000e+00 5.00 0.000000000e+00 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