# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2013--Onat-B-Durukanoglu-S--Cu-Ni # implementation = 2013--Onat-B--Cu-Ni--LAMMPS--ipr1 # composition = Cu2Ni # 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 6.728461059e+01 1.00 6.069146079e+01 1.02 5.473163014e+01 1.04 4.935239381e+01 1.06 4.448275932e+01 1.08 4.006154379e+01 1.10 3.605754028e+01 1.12 3.243862926e+01 1.14 2.917174294e+01 1.16 2.621238276e+01 1.18 2.352749166e+01 1.20 2.108686869e+01 1.22 1.886857778e+01 1.24 1.685964927e+01 1.26 1.503839428e+01 1.28 1.338372931e+01 1.30 1.188645973e+01 1.32 1.053309466e+01 1.34 9.315564731e+00 1.36 8.224122383e+00 1.38 7.247503599e+00 1.40 6.371941895e+00 1.42 5.584178978e+00 1.44 4.870484011e+00 1.46 4.230557628e+00 1.48 3.661079405e+00 1.50 3.161682736e+00 1.52 2.724899836e+00 1.54 2.345474191e+00 1.56 2.021206866e+00 1.58 1.749784335e+00 1.60 1.525856274e+00 1.62 1.344885978e+00 1.64 1.201314330e+00 1.66 1.091418548e+00 1.68 1.012450858e+00 1.70 9.624028272e-01 1.72 9.382218293e-01 1.74 9.360134212e-01 1.76 9.469546012e-01 1.78 9.708487706e-01 1.80 1.005057491e+00 1.82 1.047508733e+00 1.84 1.099015774e+00 1.86 1.158363842e+00 1.88 1.215816688e+00 1.90 7.635208884e-01 1.92 3.426801471e-01 1.94 -4.614170071e-02 1.96 -4.047407493e-01 1.98 -7.336619076e-01 2.00 -1.035042041e+00 2.02 -1.310768211e+00 2.04 -1.562669407e+00 2.06 -1.792523146e+00 2.08 -2.002063083e+00 2.10 -2.193016733e+00 2.12 -2.367351343e+00 2.14 -2.525162601e+00 2.16 -2.664819838e+00 2.18 -2.788747747e+00 2.20 -2.898167706e+00 2.22 -2.993954416e+00 2.24 -3.077818774e+00 2.26 -3.150251939e+00 2.28 -3.210114521e+00 2.30 -3.258116902e+00 2.32 -3.295170239e+00 2.34 -3.322180851e+00 2.36 -3.340148158e+00 2.38 -3.349774949e+00 2.40 -3.351101011e+00 2.42 -3.346810621e+00 2.44 -3.337850980e+00 2.46 -3.323800386e+00 2.48 -3.304716483e+00 2.50 -3.281131711e+00 2.52 -3.253734607e+00 2.54 -3.222711854e+00 2.56 -3.186304980e+00 2.58 -3.145813468e+00 2.60 -3.102338641e+00 2.62 -3.056219057e+00 2.64 -3.007765555e+00 2.66 -2.957262321e+00 2.68 -2.904625512e+00 2.70 -2.851190155e+00 2.72 -2.796839132e+00 2.74 -2.741753933e+00 2.76 -2.685909730e+00 2.78 -2.629617018e+00 2.80 -2.572507219e+00 2.82 -2.514864035e+00 2.84 -2.456794339e+00 2.86 -2.398389196e+00 2.88 -2.339721960e+00 2.90 -2.281013960e+00 2.92 -2.222689272e+00 2.94 -2.164849697e+00 2.96 -2.107574895e+00 2.98 -2.050937555e+00 3.00 -1.995004069e+00 3.02 -1.939835279e+00 3.04 -1.885487116e+00 3.06 -1.832011310e+00 3.08 -1.779456044e+00 3.10 -1.727866609e+00 3.12 -1.677286092e+00 3.14 -1.627753277e+00 3.16 -1.579223480e+00 3.18 -1.531495978e+00 3.20 -1.484403643e+00 3.22 -1.437996512e+00 3.24 -1.392897007e+00 3.26 -1.349017243e+00 3.28 -1.306254388e+00 3.30 -1.264691399e+00 3.32 -1.224297424e+00 3.34 -1.184606881e+00 3.36 -1.144882765e+00 3.38 -1.106114351e+00 3.40 -1.068315778e+00 3.42 -1.031485107e+00 3.44 -9.956186409e-01 3.46 -9.607117997e-01 3.48 -9.267594863e-01 3.50 -8.937562070e-01 3.52 -8.616962204e-01 3.54 -8.305736604e-01 3.56 -8.003826879e-01 3.58 -7.711176041e-01 3.60 -7.427729912e-01 3.62 -7.153438540e-01 3.64 -6.888257433e-01 3.66 -6.632148903e-01 3.68 -6.385083727e-01 3.70 -6.147042329e-01 3.72 -5.918016274e-01 3.74 -5.698010218e-01 3.76 -5.487043038e-01 3.78 -5.285149780e-01 3.80 -5.092383790e-01 3.82 -4.908818126e-01 3.84 -4.734532332e-01 3.86 -4.569398712e-01 3.88 -4.410897467e-01 3.90 -4.258429374e-01 3.92 -4.114863542e-01 3.94 -3.972398678e-01 3.96 -3.833454902e-01 3.98 -3.697888837e-01 4.00 -3.565511677e-01 4.02 -3.436099343e-01 4.04 -3.309559464e-01 4.06 -3.185641618e-01 4.08 -3.064231923e-01 4.10 -2.945843145e-01 4.12 -2.830996486e-01 4.14 -2.719734963e-01 4.16 -2.611936469e-01 4.18 -2.507541121e-01 4.20 -2.406526447e-01 4.22 -2.308730572e-01 4.24 -2.213816594e-01 4.26 -2.121523105e-01 4.28 -2.031825931e-01 4.30 -1.944916612e-01 4.32 -1.860971013e-01 4.34 -1.780027740e-01 4.36 -1.701990498e-01 4.38 -1.626774630e-01 4.40 -1.554324867e-01 4.42 -1.484599026e-01 4.44 -1.417494813e-01 4.46 -1.352894414e-01 4.48 -1.290686774e-01 4.50 -1.230861303e-01 4.52 -1.173358818e-01 4.54 -1.118084328e-01 4.56 -1.064937851e-01 4.58 -1.013818275e-01 4.60 -9.646991659e-02 4.62 -9.176862077e-02 4.64 -8.726590782e-02 4.66 -8.294753536e-02 4.68 -7.880002099e-02 4.70 -7.481296885e-02 4.72 -7.098177031e-02 4.74 -6.729528943e-02 4.76 -6.372973033e-02 4.78 -6.026709100e-02 4.80 -5.692767824e-02 4.82 -5.372603415e-02 4.84 -5.068464843e-02 4.86 -4.783466205e-02 4.88 -4.516519170e-02 4.90 -4.266268646e-02 4.92 -4.031318818e-02 4.94 -3.810268356e-02 4.96 -3.601738537e-02 4.98 -3.404395557e-02 5.00 -3.217652322e-02 5.02 -3.040571977e-02 5.04 -2.868129157e-02 5.06 -2.702025850e-02 5.08 -2.544072550e-02 5.10 -2.395678087e-02 5.12 -2.257901551e-02 5.14 -2.131499928e-02 5.16 -2.016971953e-02 5.18 -1.914597920e-02 5.20 -1.824475973e-02 5.22 -1.746554797e-02 5.24 -1.680663026e-02 5.26 -1.626535615e-02 5.28 -1.583837184e-02 5.30 -1.553031563e-02 5.32 -1.534780829e-02 5.34 -1.526541664e-02 5.36 -1.526100840e-02 5.38 -1.531690620e-02 5.40 -1.541931240e-02 5.42 -1.555822372e-02 5.44 -1.572037926e-02 5.46 -1.591175787e-02 5.48 -1.606493668e-02 5.50 -1.617308162e-02 5.52 -1.623301408e-02 5.54 -1.624279818e-02 5.56 -1.620154214e-02 5.58 -1.610922657e-02 5.60 -1.596655459e-02 5.62 -1.577482353e-02 5.64 -1.553581259e-02 5.66 -1.525168812e-02 5.68 -1.492492095e-02 5.70 -1.455821723e-02 5.72 -1.415445913e-02 5.74 -1.371665508e-02 5.76 -1.324789846e-02 5.78 -1.275133269e-02 5.80 -1.223012352e-02 5.82 -1.168743547e-02 5.84 -1.112641416e-02 5.86 -1.055017156e-02 5.88 -9.961775426e-03 5.90 -9.364241363e-03 5.92 -8.760527360e-03 5.94 -8.153530826e-03 5.96 -7.546086901e-03 5.98 -6.940968932e-03 6.00 -6.340889642e-03