# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1 # composition = MgPb2 # 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 2024-04-11 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 4.820154619e+02 1.16 4.479274743e+02 1.18 4.164325172e+02 1.20 3.873084800e+02 1.22 3.603548375e+02 1.24 3.353904965e+02 1.26 3.122519278e+02 1.28 2.907912439e+02 1.30 2.708738538e+02 1.32 2.523763761e+02 1.34 2.351853905e+02 1.36 2.191968888e+02 1.38 2.043159147e+02 1.40 1.904563129e+02 1.42 1.775403957e+02 1.44 1.654980554e+02 1.46 1.542653778e+02 1.48 1.437834094e+02 1.50 1.339975741e+02 1.52 1.248575376e+02 1.54 1.163250168e+02 1.56 1.083728655e+02 1.58 1.009599024e+02 1.60 9.404784456e+01 1.62 8.760135846e+01 1.64 8.158782163e+01 1.66 7.597717327e+01 1.68 7.074171864e+01 1.70 6.585584534e+01 1.72 6.129572680e+01 1.74 5.703908499e+01 1.76 5.306506243e+01 1.78 4.935416301e+01 1.80 4.588821487e+01 1.82 4.265036531e+01 1.84 3.962506910e+01 1.86 3.679803536e+01 1.88 3.415612030e+01 1.90 3.168717337e+01 1.92 2.937987686e+01 1.94 2.722365012e+01 1.96 2.520857828e+01 1.98 2.332537686e+01 2.00 2.156536157e+01 2.02 1.992042163e+01 2.04 1.838299773e+01 2.06 1.694606808e+01 2.08 1.560313923e+01 2.10 1.434822135e+01 2.12 1.317579490e+01 2.14 1.208075241e+01 2.16 1.105833745e+01 2.18 1.010408870e+01 2.20 9.213797056e+00 2.22 8.383479652e+00 2.24 7.609367773e+00 2.26 6.887903403e+00 2.28 6.215738105e+00 2.30 5.589728498e+00 2.32 5.006920393e+00 2.34 4.464541010e+00 2.36 3.959975715e+00 2.38 3.490755664e+00 2.40 3.054549915e+00 2.42 2.649163313e+00 2.44 2.272541240e+00 2.46 1.922773375e+00 2.48 1.598095601e+00 2.50 1.296886095e+00 2.52 1.017655681e+00 2.54 7.590343250e-01 2.56 5.197563326e-01 2.58 2.986461183e-01 2.60 9.460541458e-02 2.62 -9.339701121e-02 2.64 -2.663385085e-01 2.66 -4.251439887e-01 2.68 -5.706956365e-01 2.70 -7.038349861e-01 2.72 -8.253644500e-01 2.74 -9.360476035e-01 2.76 -1.036608771e+00 2.78 -1.127731503e+00 2.80 -1.210062024e+00 2.82 -1.284203180e+00 2.84 -1.350719588e+00 2.86 -1.410137835e+00 2.88 -1.462948453e+00 2.90 -1.509608332e+00 2.92 -1.550550106e+00 2.94 -1.586262593e+00 2.96 -1.617065216e+00 2.98 -1.643222388e+00 3.00 -1.665001067e+00 3.02 -1.682669760e+00 3.04 -1.696496114e+00 3.06 -1.706750844e+00 3.08 -1.713696973e+00 3.10 -1.717584762e+00 3.12 -1.718634623e+00 3.14 -1.717064557e+00 3.16 -1.713085576e+00 3.18 -1.706903381e+00 3.20 -1.698715297e+00 3.22 -1.688708580e+00 3.24 -1.677074115e+00 3.26 -1.663978391e+00 3.28 -1.649555137e+00 3.30 -1.633929691e+00 3.32 -1.617218654e+00 3.34 -1.599529706e+00 3.36 -1.580961510e+00 3.38 -1.561603771e+00 3.40 -1.541536943e+00 3.42 -1.520834420e+00 3.44 -1.499545886e+00 3.46 -1.477704613e+00 3.48 -1.455343216e+00 3.50 -1.432494179e+00 3.52 -1.409189980e+00 3.54 -1.385463353e+00 3.56 -1.361347715e+00 3.58 -1.336877776e+00 3.60 -1.312090333e+00 3.62 -1.287025177e+00 3.64 -1.261726002e+00 3.66 -1.236241158e+00 3.68 -1.210624020e+00 3.70 -1.184932811e+00 3.72 -1.159229728e+00 3.74 -1.133579366e+00 3.76 -1.108046568e+00 3.78 -1.082693968e+00 3.80 -1.057579592e+00 3.82 -1.032754840e+00 3.84 -1.008263134e+00 3.86 -9.841393229e-01 3.88 -9.604098102e-01 3.90 -9.370932412e-01 3.92 -9.142004200e-01 3.94 -8.917402507e-01 3.96 -8.697134905e-01 3.98 -8.481191063e-01 4.00 -8.269538439e-01 4.02 -8.062130104e-01 4.04 -7.858910775e-01 4.06 -7.659821183e-01 4.08 -7.464800983e-01 4.10 -7.273773434e-01 4.12 -7.086717531e-01 4.14 -6.903556084e-01 4.16 -6.724234281e-01 4.18 -6.548698522e-01 4.20 -6.376896042e-01 4.22 -6.208774599e-01 4.24 -6.044282250e-01 4.26 -5.883367242e-01 4.28 -5.725978010e-01 4.30 -5.572063247e-01 4.32 -5.421572026e-01 4.34 -5.274453918e-01 4.36 -5.130659097e-01 4.38 -4.990138381e-01 4.40 -4.852843207e-01 4.42 -4.718725526e-01 4.44 -4.587737616e-01 4.46 -4.459831833e-01 4.48 -4.334960306e-01 4.50 -4.213074612e-01 4.52 -4.094125441e-01 4.54 -3.978062286e-01 4.56 -3.864833176e-01 4.58 -3.754384467e-01 4.60 -3.646660710e-01 4.62 -3.541604594e-01 4.64 -3.439156976e-01 4.66 -3.339256984e-01 4.68 -3.241842183e-01 4.70 -3.146848795e-01 4.72 -3.054211953e-01 4.74 -2.963865968e-01 4.76 -2.875744595e-01 4.78 -2.789781282e-01 4.80 -2.705886684e-01 4.82 -2.624043352e-01 4.84 -2.544158105e-01 4.86 -2.466165275e-01 4.88 -2.389999817e-01 4.90 -2.315597511e-01 4.92 -2.242895240e-01 4.94 -2.171831337e-01 4.96 -2.102346041e-01 4.98 -2.034382074e-01 5.00 -1.967885354e-01 5.02 -1.902805829e-01 5.04 -1.839098434e-01 5.06 -1.776724127e-01 5.08 -1.715650965e-01 5.10 -1.655855158e-01 5.12 -1.597322000e-01 5.14 -1.540046609e-01 5.16 -1.484034330e-01 5.18 -1.429300715e-01 5.20 -1.375871020e-01 5.22 -1.323779112e-01 5.24 -1.273065786e-01 5.26 -1.223776520e-01 5.28 -1.175958776e-01 5.30 -1.129659012e-01 5.32 -1.084919570e-01 5.34 -1.041775688e-01 5.36 -1.000252890e-01 5.38 -9.603649072e-02 5.40 -9.221122936e-02 5.42 -8.854817920e-02 5.44 -8.504464513e-02 5.46 -8.169664169e-02 5.48 -7.849902724e-02 5.50 -7.544567744e-02 5.52 -7.252960050e-02 5.54 -6.974295321e-02 5.56 -6.707797083e-02 5.58 -6.452671205e-02 5.60 -6.208115834e-02 5.62 -5.973335952e-02 5.64 -5.747555200e-02 5.66 -5.530025111e-02 5.68 -5.320032075e-02 5.70 -5.116902389e-02 5.72 -4.920005823e-02 5.74 -4.728758073e-02 5.76 -4.542622473e-02 5.78 -4.361111246e-02 5.80 -4.183786541e-02 5.82 -4.010261407e-02 5.84 -3.840200790e-02 5.86 -3.673322570e-02 5.88 -3.509398580e-02 5.90 -3.348255493e-02 5.92 -3.189775400e-02 5.94 -3.033895924e-02 5.96 -2.880609688e-02 5.98 -2.729962137e-02 6.00 -2.582048988e-02