# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2023--Kizzire-D-G-Greenhalgh-A-D-Neveau-M-L-et-al--Ce # implementation = 2023--Kizzire-D-G--Ce--LAMMPS--ipr1 # NOTE: These values only provide a look at the purely pair interaction # of the potential and therefore exclude multi-body interactions. # Calculations from the NIST Interatomic Potential Repository Project: # http://www.ctcms.nist.gov/potentials/ # Table generated 2023-09-07 r Ce Ce 0.02 4.819473605e+01 0.04 4.680208041e+01 0.06 4.544604087e+01 0.08 4.412570714e+01 0.10 4.284019068e+01 0.12 4.158862420e+01 0.14 4.037016117e+01 0.16 3.918397531e+01 0.18 3.802926019e+01 0.20 3.690522869e+01 0.22 3.581111259e+01 0.24 3.474616214e+01 0.26 3.370964561e+01 0.28 3.270084889e+01 0.30 3.171907504e+01 0.32 3.076364396e+01 0.34 2.983389192e+01 0.36 2.892917123e+01 0.38 2.804884985e+01 0.40 2.719231102e+01 0.42 2.635895291e+01 0.44 2.554818826e+01 0.46 2.475944407e+01 0.48 2.399216120e+01 0.50 2.324579414e+01 0.52 2.251981060e+01 0.54 2.181369124e+01 0.56 2.112692939e+01 0.58 2.045903069e+01 0.60 1.980951288e+01 0.62 1.917790542e+01 0.64 1.856374931e+01 0.66 1.796659675e+01 0.68 1.738601091e+01 0.70 1.682156564e+01 0.72 1.627284527e+01 0.74 1.573944430e+01 0.76 1.522096720e+01 0.78 1.471702819e+01 0.80 1.422725093e+01 0.82 1.375126839e+01 0.84 1.328872258e+01 0.86 1.283926433e+01 0.88 1.240255311e+01 0.90 1.197825680e+01 0.92 1.156605149e+01 0.94 1.116562131e+01 0.96 1.077665821e+01 0.98 1.039886179e+01 1.00 1.003193910e+01 1.02 9.675604491e+00 1.04 9.329579410e+00 1.06 8.993592249e+00 1.08 8.667378172e+00 1.10 8.350678956e+00 1.12 8.043242827e+00 1.14 7.744824312e+00 1.16 7.455184080e+00 1.18 7.174088804e+00 1.20 6.901311006e+00 1.22 6.636628924e+00 1.24 6.379826371e+00 1.26 6.130692601e+00 1.28 5.889022178e+00 1.30 5.654614847e+00 1.32 5.427275410e+00 1.34 5.206813602e+00 1.36 4.993043973e+00 1.38 4.785785770e+00 1.40 4.584862824e+00 1.42 4.390103438e+00 1.44 4.201340282e+00 1.46 4.018410278e+00 1.48 3.841154507e+00 1.50 3.669418099e+00 1.52 3.503050141e+00 1.54 3.341903577e+00 1.56 3.185835111e+00 1.58 3.034705123e+00 1.60 2.888377572e+00 1.62 2.746719910e+00 1.64 2.609602998e+00 1.66 2.476901022e+00 1.68 2.348491409e+00 1.70 2.224254752e+00 1.72 2.104074727e+00 1.74 1.987838020e+00 1.76 1.875434251e+00 1.78 1.766755905e+00 1.80 1.661698257e+00 1.82 1.560159307e+00 1.84 1.462039708e+00 1.86 1.367242704e+00 1.88 1.275674067e+00 1.90 1.187242028e+00 1.92 1.101857224e+00 1.94 1.019432630e+00 1.96 9.398835074e-01 1.98 8.631273444e-01 2.00 7.890837998e-01 2.02 7.176746498e-01 2.04 6.488237345e-01 2.06 5.824569057e-01 2.08 5.185019758e-01 2.10 4.568886666e-01 2.12 3.975485583e-01 2.14 3.404150377e-01 2.16 2.854232427e-01 2.18 2.325100036e-01 2.20 1.816137769e-01 2.22 1.326745677e-01 2.24 8.563383812e-02 2.26 4.043439380e-02 2.28 -2.979755765e-03 2.30 -4.466357140e-02 2.32 -8.467119953e-02 2.34 -1.230562356e-01 2.36 -1.598720418e-01 2.38 -1.951721225e-01 2.40 -2.290105606e-01 2.42 -2.614425116e-01 2.44 -2.925247511e-01 2.46 -3.223162655e-01 2.48 -3.508788726e-01 2.50 -3.782778542e-01 2.52 -4.045825793e-01 2.54 -4.298670946e-01 2.56 -4.542106577e-01 2.58 -4.776981870e-01 2.60 -5.004206055e-01 2.62 -5.224750569e-01 2.64 -5.439649764e-01 2.66 -5.650000034e-01 2.68 -5.856957285e-01 2.70 -6.061732707e-01 2.72 -6.265586900e-01 2.74 -6.469822413e-01 2.76 -6.675774823e-01 2.78 -6.884802521e-01 2.80 -7.098275377e-01 2.82 -7.317562504e-01 2.84 -7.544019326e-01 2.86 -7.778974165e-01 2.88 -8.023714565e-01 2.90 -8.279473533e-01 2.92 -8.547415892e-01 2.94 -8.828624892e-01 2.96 -9.124089212e-01 2.98 -9.434690479e-01 3.00 -9.761191389e-01 3.02 -1.010422450e+00 3.04 -1.046428176e+00 3.06 -1.084170489e+00 3.08 -1.123667649e+00 3.10 -1.164921224e+00 3.12 -1.207915390e+00 3.14 -1.252616350e+00 3.16 -1.298971867e+00 3.18 -1.346910932e+00 3.20 -1.396343582e+00 3.22 -1.447160889e+00 3.24 -1.499235145e+00 3.26 -1.552420276e+00 3.28 -1.606552499e+00 3.30 -1.661451267e+00 3.32 -1.716920518e+00 3.34 -1.772750253e+00 3.36 -1.828718464e+00 3.38 -1.884593403e+00 3.40 -1.940136194e+00 3.42 -1.995103768e+00 3.44 -2.049252054e+00 3.46 -2.102339398e+00 3.48 -2.154130089e+00 3.50 -2.204397934e+00 3.52 -2.252929737e+00 3.54 -2.299528587e+00 3.56 -2.344016824e+00 3.58 -2.386238573e+00 3.60 -2.426061766e+00 3.62 -2.463379556e+00 3.64 -2.498111100e+00 3.66 -2.530201691e+00 3.68 -2.559622255e+00 3.70 -2.586368284e+00 3.72 -2.610458254e+00 3.74 -2.631931642e+00 3.76 -2.650846653e+00 3.78 -2.667277738e+00 3.80 -2.681313045e+00 3.82 -2.693051860e+00 3.84 -2.702602147e+00 3.86 -2.710078224e+00 3.88 -2.715598641e+00 3.90 -2.719284264e+00 3.92 -2.721256603e+00 3.94 -2.721636363e+00 3.96 -2.720542225e+00 3.98 -2.718089838e+00 4.00 -2.714391004e+00 4.02 -2.709553036e+00 4.04 -2.703678269e+00 4.06 -2.696863713e+00 4.08 -2.689200818e+00 4.10 -2.680775337e+00 4.12 -2.671667285e+00 4.14 -2.661950961e+00 4.16 -2.651695036e+00 4.18 -2.640962692e+00 4.20 -2.629811805e+00 4.22 -2.618295154e+00 4.24 -2.606460667e+00 4.26 -2.594351676e+00 4.28 -2.582007195e+00 4.30 -2.569462201e+00 4.32 -2.556747923e+00 4.34 -2.543892127e+00 4.36 -2.530919400e+00 4.38 -2.517851432e+00 4.40 -2.504707278e+00 4.42 -2.491503619e+00 4.44 -2.478255006e+00 4.46 -2.464974090e+00 4.48 -2.451671837e+00 4.50 -2.438357726e+00 4.52 -2.425039935e+00 4.54 -2.411725505e+00 4.56 -2.398420493e+00 4.58 -2.385130110e+00 4.60 -2.371858836e+00 4.62 -2.358610532e+00 4.64 -2.345388533e+00 4.66 -2.332195728e+00 4.68 -2.319034632e+00 4.70 -2.305907446e+00 4.72 -2.292816108e+00 4.74 -2.279762335e+00 4.76 -2.266747663e+00 4.78 -2.253773471e+00 4.80 -2.240841012e+00 4.82 -2.227951429e+00 4.84 -2.215105772e+00 4.86 -2.202305012e+00 4.88 -2.189550051e+00 4.90 -2.176841731e+00 4.92 -2.164180842e+00 4.94 -2.151568123e+00 4.96 -2.139004271e+00 4.98 -2.126489944e+00 5.00 -2.114025759e+00 5.02 -2.101612302e+00 5.04 -2.089250122e+00 5.06 -2.076939738e+00 5.08 -2.064681640e+00 5.10 -2.052476288e+00 5.12 -2.040324113e+00 5.14 -2.028225521e+00 5.16 -2.016180892e+00 5.18 -2.004190580e+00 5.20 -1.992254917e+00 5.22 -1.980374209e+00 5.24 -1.968548743e+00 5.26 -1.956778781e+00 5.28 -1.945064567e+00 5.30 -1.933406322e+00 5.32 -1.921804250e+00 5.34 -1.910258536e+00 5.36 -1.898769344e+00 5.38 -1.887336824e+00 5.40 -1.875961108e+00 5.42 -1.864642309e+00 5.44 -1.853380529e+00 5.46 -1.842175851e+00 5.48 -1.831028344e+00 5.50 -1.819938065e+00 5.52 -1.808905055e+00 5.54 -1.797929344e+00 5.56 -1.787010946e+00 5.58 -1.776149866e+00 5.60 -1.765346097e+00 5.62 -1.754599619e+00 5.64 -1.743910402e+00 5.66 -1.733056978e+00 5.68 -1.704858931e+00 5.70 -1.574890282e+00 5.72 -1.177051769e+00 5.74 -3.537197071e-01 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 6.02 0.000000000e+00 6.04 0.000000000e+00 6.06 0.000000000e+00 6.08 0.000000000e+00 6.10 0.000000000e+00 6.12 0.000000000e+00 6.14 0.000000000e+00 6.16 0.000000000e+00 6.18 0.000000000e+00 6.20 0.000000000e+00 6.22 0.000000000e+00 6.24 0.000000000e+00 6.26 0.000000000e+00 6.28 0.000000000e+00 6.30 0.000000000e+00 6.32 0.000000000e+00 6.34 0.000000000e+00 6.36 0.000000000e+00 6.38 0.000000000e+00 6.40 0.000000000e+00 6.42 0.000000000e+00 6.44 0.000000000e+00 6.46 0.000000000e+00 6.48 0.000000000e+00 6.50 0.000000000e+00 6.52 0.000000000e+00 6.54 0.000000000e+00 6.56 0.000000000e+00 6.58 0.000000000e+00 6.60 0.000000000e+00 6.62 0.000000000e+00 6.64 0.000000000e+00 6.66 0.000000000e+00 6.68 0.000000000e+00 6.70 0.000000000e+00 6.72 0.000000000e+00 6.74 0.000000000e+00 6.76 0.000000000e+00 6.78 0.000000000e+00 6.80 0.000000000e+00 6.82 0.000000000e+00 6.84 0.000000000e+00 6.86 0.000000000e+00 6.88 0.000000000e+00 6.90 0.000000000e+00 6.92 0.000000000e+00 6.94 0.000000000e+00 6.96 0.000000000e+00 6.98 0.000000000e+00 7.00 0.000000000e+00 7.02 0.000000000e+00 7.04 0.000000000e+00 7.06 0.000000000e+00 7.08 0.000000000e+00 7.10 0.000000000e+00 7.12 0.000000000e+00 7.14 0.000000000e+00 7.16 0.000000000e+00 7.18 0.000000000e+00 7.20 0.000000000e+00 7.22 0.000000000e+00 7.24 0.000000000e+00 7.26 0.000000000e+00 7.28 0.000000000e+00 7.30 0.000000000e+00 7.32 0.000000000e+00 7.34 0.000000000e+00 7.36 0.000000000e+00 7.38 0.000000000e+00 7.40 0.000000000e+00 7.42 0.000000000e+00 7.44 0.000000000e+00 7.46 0.000000000e+00 7.48 0.000000000e+00 7.50 0.000000000e+00 7.52 0.000000000e+00 7.54 0.000000000e+00 7.56 0.000000000e+00 7.58 0.000000000e+00 7.60 0.000000000e+00 7.62 0.000000000e+00 7.64 0.000000000e+00 7.66 0.000000000e+00 7.68 0.000000000e+00 7.70 0.000000000e+00 7.72 0.000000000e+00 7.74 0.000000000e+00 7.76 0.000000000e+00 7.78 0.000000000e+00 7.80 0.000000000e+00 7.82 0.000000000e+00 7.84 0.000000000e+00 7.86 0.000000000e+00 7.88 0.000000000e+00 7.90 0.000000000e+00 7.92 0.000000000e+00 7.94 0.000000000e+00 7.96 0.000000000e+00 7.98 0.000000000e+00 8.00 0.000000000e+00 8.02 0.000000000e+00 8.04 0.000000000e+00 8.06 0.000000000e+00 8.08 0.000000000e+00 8.10 0.000000000e+00 8.12 0.000000000e+00 8.14 0.000000000e+00 8.16 0.000000000e+00 8.18 0.000000000e+00 8.20 0.000000000e+00 8.22 0.000000000e+00 8.24 0.000000000e+00 8.26 0.000000000e+00 8.28 0.000000000e+00 8.30 0.000000000e+00 8.32 0.000000000e+00 8.34 0.000000000e+00 8.36 0.000000000e+00 8.38 0.000000000e+00 8.40 0.000000000e+00 8.42 0.000000000e+00 8.44 0.000000000e+00 8.46 0.000000000e+00 8.48 0.000000000e+00 8.50 0.000000000e+00 8.52 0.000000000e+00 8.54 0.000000000e+00 8.56 0.000000000e+00 8.58 0.000000000e+00 8.60 0.000000000e+00 8.62 0.000000000e+00 8.64 0.000000000e+00 8.66 0.000000000e+00 8.68 0.000000000e+00 8.70 0.000000000e+00 8.72 0.000000000e+00 8.74 0.000000000e+00 8.76 0.000000000e+00 8.78 0.000000000e+00 8.80 0.000000000e+00 8.82 0.000000000e+00 8.84 0.000000000e+00 8.86 0.000000000e+00 8.88 0.000000000e+00 8.90 0.000000000e+00 8.92 0.000000000e+00 8.94 0.000000000e+00 8.96 0.000000000e+00 8.98 0.000000000e+00 9.00 0.000000000e+00 9.02 0.000000000e+00 9.04 0.000000000e+00 9.06 0.000000000e+00 9.08 0.000000000e+00 9.10 0.000000000e+00 9.12 0.000000000e+00 9.14 0.000000000e+00 9.16 0.000000000e+00 9.18 0.000000000e+00 9.20 0.000000000e+00 9.22 0.000000000e+00 9.24 0.000000000e+00 9.26 0.000000000e+00 9.28 0.000000000e+00 9.30 0.000000000e+00 9.32 0.000000000e+00 9.34 0.000000000e+00 9.36 0.000000000e+00 9.38 0.000000000e+00 9.40 0.000000000e+00 9.42 0.000000000e+00 9.44 0.000000000e+00 9.46 0.000000000e+00 9.48 0.000000000e+00 9.50 0.000000000e+00 9.52 0.000000000e+00 9.54 0.000000000e+00 9.56 0.000000000e+00 9.58 0.000000000e+00 9.60 0.000000000e+00 9.62 0.000000000e+00 9.64 0.000000000e+00 9.66 0.000000000e+00 9.68 0.000000000e+00 9.70 0.000000000e+00 9.72 0.000000000e+00 9.74 0.000000000e+00 9.76 0.000000000e+00 9.78 0.000000000e+00 9.80 0.000000000e+00 9.82 0.000000000e+00 9.84 0.000000000e+00 9.86 0.000000000e+00 9.88 0.000000000e+00 9.90 0.000000000e+00 9.92 0.000000000e+00 9.94 0.000000000e+00 9.96 0.000000000e+00 9.98 0.000000000e+00 10.00 0.000000000e+00