# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2015--Wilson-S-R-Mendelev-M-I--Ni-Zr # implementation = EAM_Dynamo_WilsonMendelev_2015_NiZr__MO_306032198193_000 # composition = Ni2Zr # 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 4.786548831e+02 1.60 3.968721638e+02 1.62 3.291741042e+02 1.64 2.730587890e+02 1.66 2.265221861e+02 1.68 1.879467163e+02 1.70 1.559435007e+02 1.72 1.293658162e+02 1.74 1.072655034e+02 1.76 8.885862709e+01 1.78 7.350004453e+01 1.80 6.066128238e+01 1.82 4.991177940e+01 1.84 4.090305396e+01 1.86 3.335346994e+01 1.88 2.703058655e+01 1.90 2.173988444e+01 1.92 1.731701034e+01 1.94 1.362308833e+01 1.96 1.054094753e+01 1.98 7.971729781e+00 2.00 5.831752568e+00 2.02 4.049495272e+00 2.04 2.563332716e+00 2.06 1.320841101e+00 2.08 2.779765636e-01 2.10 -6.017709247e-01 2.12 -1.348116734e+00 2.14 -1.984507614e+00 2.16 -2.529051944e+00 2.18 -2.995044702e+00 2.20 -3.390916250e+00 2.22 -3.721968098e+00 2.24 -3.993826501e+00 2.26 -4.213180829e+00 2.28 -4.386667693e+00 2.30 -4.520545305e+00 2.32 -4.623314980e+00 2.34 -4.702986355e+00 2.36 -4.764494388e+00 2.38 -4.812165553e+00 2.40 -4.849546236e+00 2.42 -4.879262964e+00 2.44 -4.903009516e+00 2.46 -4.921639020e+00 2.48 -4.935317150e+00 2.50 -4.943681133e+00 2.52 -4.946086206e+00 2.54 -4.941980376e+00 2.56 -4.931261381e+00 2.58 -4.914090928e+00 2.60 -4.891014141e+00 2.62 -4.862795054e+00 2.64 -4.829894275e+00 2.66 -4.792604743e+00 2.68 -4.751310435e+00 2.70 -4.706714674e+00 2.72 -4.660314371e+00 2.74 -4.613998422e+00 2.76 -4.568469249e+00 2.78 -4.523175203e+00 2.80 -4.478252326e+00 2.82 -4.435345376e+00 2.84 -4.396509087e+00 2.86 -4.362884521e+00 2.88 -4.334390758e+00 2.90 -4.309810391e+00 2.92 -4.287597371e+00 2.94 -4.266256858e+00 2.96 -4.244466991e+00 2.98 -4.221170972e+00 3.00 -4.195644287e+00 3.02 -4.167531248e+00 3.04 -4.136887137e+00 3.06 -4.104033871e+00 3.08 -4.069339974e+00 3.10 -4.033159936e+00 3.12 -3.995809732e+00 3.14 -3.957550867e+00 3.16 -3.918581322e+00 3.18 -3.879032276e+00 3.20 -3.838969516e+00 3.22 -3.798398569e+00 3.24 -3.757272656e+00 3.26 -3.715502657e+00 3.28 -3.672968351e+00 3.30 -3.629530305e+00 3.32 -3.585042077e+00 3.34 -3.539362756e+00 3.36 -3.492368393e+00 3.38 -3.443961921e+00 3.40 -3.394081510e+00 3.42 -3.342707139e+00 3.44 -3.289865224e+00 3.46 -3.235629374e+00 3.48 -3.180115218e+00 3.50 -3.123476177e+00 3.52 -3.065898821e+00 3.54 -3.007596622e+00 3.56 -2.948802402e+00 3.58 -2.889759855e+00 3.60 -2.830714637e+00 3.62 -2.771905538e+00 3.64 -2.713556399e+00 3.66 -2.655869436e+00 3.68 -2.599020788e+00 3.70 -2.543162540e+00 3.72 -2.488438320e+00 3.74 -2.434983307e+00 3.76 -2.382913479e+00 3.78 -2.332316048e+00 3.80 -2.283241886e+00 3.82 -2.235700405e+00 3.84 -2.189657376e+00 3.86 -2.145036221e+00 3.88 -2.101723336e+00 3.90 -2.059578046e+00 3.92 -2.018447833e+00 3.94 -1.978189497e+00 3.96 -1.938696970e+00 3.98 -1.899935957e+00 4.00 -1.861951989e+00 4.02 -1.824806828e+00 4.04 -1.788547318e+00 4.06 -1.753198122e+00 4.08 -1.718762821e+00 4.10 -1.685225452e+00 4.12 -1.652551682e+00 4.14 -1.620689630e+00 4.16 -1.589570323e+00 4.18 -1.559109731e+00 4.20 -1.529222304e+00 4.22 -1.499829891e+00 4.24 -1.470861215e+00 4.26 -1.442250982e+00 4.28 -1.413939189e+00 4.30 -1.385870591e+00 4.32 -1.357994307e+00 4.34 -1.330263546e+00 4.36 -1.302635418e+00 4.38 -1.275070831e+00 4.40 -1.247534435e+00 4.42 -1.219994610e+00 4.44 -1.192423479e+00 4.46 -1.164796929e+00 4.48 -1.137094645e+00 4.50 -1.109300109e+00 4.52 -1.081400604e+00 4.54 -1.053387207e+00 4.56 -1.025254682e+00 4.58 -9.970014635e-01 4.60 -9.686294718e-01 4.62 -9.401439669e-01 4.64 -9.115534119e-01 4.66 -8.828692234e-01 4.68 -8.541055879e-01 4.70 -8.252796632e-01 4.72 -7.964116551e-01 4.74 -7.675246894e-01 4.76 -7.386446744e-01 4.78 -7.098002075e-01 4.80 -6.810222007e-01 4.82 -6.523435556e-01 4.84 -6.237986114e-01 4.86 -5.954249941e-01 4.88 -5.672601905e-01 4.90 -5.393404571e-01 4.92 -5.117109974e-01 4.94 -4.844012209e-01 4.96 -4.574681399e-01 4.98 -4.309180042e-01 5.00 -4.048429873e-01 5.02 -3.789460215e-01 5.04 -3.534891461e-01 5.06 -3.293899992e-01 5.08 -3.074165506e-01 5.10 -2.866046522e-01 5.12 -2.647172446e-01 5.14 -2.409481893e-01 5.16 -2.159803106e-01 5.18 -1.905380772e-01 5.20 -1.644290233e-01 5.22 -1.378225001e-01 5.24 -1.112840442e-01 5.26 -8.586610598e-02 5.28 -6.312331184e-02 5.30 -4.382219661e-02 5.32 -2.815144080e-02 5.34 -1.597400548e-02 5.36 -6.988420453e-03 5.38 -8.263001260e-04 5.40 2.893217910e-03 5.42 4.536756374e-03 5.44 4.446711260e-03 5.46 2.940466082e-03 5.48 3.139400305e-04 5.50 -3.153434491e-03 5.52 -7.195499534e-03 5.54 -1.157383658e-02 5.56 -1.609430910e-02 5.58 -2.060852753e-02 5.60 -2.501443780e-02 5.62 -2.925569851e-02 5.64 -3.330404199e-02 5.66 -3.714037117e-02 5.68 -4.075212748e-02 5.70 -4.413238693e-02 5.72 -4.727902834e-02 5.74 -5.019397026e-02 5.76 -5.288247367e-02 5.78 -5.535250707e-02 5.80 -5.761417098e-02 5.82 -5.967917900e-02 5.84 -6.156039218e-02 5.86 -6.327140418e-02 5.88 -6.482617415e-02 5.90 -6.623870475e-02 5.92 -6.752276258e-02 5.94 -6.869163844e-02 5.96 -6.975794486e-02 5.98 -7.073344844e-02 6.00 -7.162893469e-02