# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2014--Fernandez-J-R-Pascuet-M-I--U # implementation = 2014--Fernandez-J-R--U--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 2022-05-24 r U U 0.02 4.715977268e+06 0.04 1.887389165e+06 0.06 1.037120257e+06 0.08 6.525822781e+05 0.10 4.433934530e+05 0.12 3.166679338e+05 0.14 2.343064035e+05 0.16 1.780650307e+05 0.18 1.382236415e+05 0.20 1.091836369e+05 0.22 8.752429742e+04 0.24 7.105793474e+04 0.26 5.833379526e+04 0.28 4.836104041e+04 0.30 4.044628531e+04 0.32 3.409420434e+04 0.34 2.894461285e+04 0.36 2.473150894e+04 0.38 2.125571148e+04 0.40 1.836620749e+04 0.42 1.594720616e+04 0.44 1.390899400e+04 0.46 1.218139178e+04 0.48 1.070901002e+04 0.50 9.447764295e+03 0.52 8.362293109e+03 0.54 7.424022959e+03 0.56 6.609704544e+03 0.58 5.900297688e+03 0.60 5.280113271e+03 0.62 4.736148410e+03 0.64 4.257568055e+03 0.66 3.835297041e+03 0.68 3.461697544e+03 0.70 3.130312360e+03 0.72 2.835658968e+03 0.74 2.573063772e+03 0.76 2.338527743e+03 0.78 2.128616833e+03 0.80 1.940372368e+03 0.82 1.771237111e+03 0.84 1.618471156e+03 0.86 1.476757277e+03 0.88 1.345295518e+03 0.90 1.223985828e+03 0.92 1.112514202e+03 0.94 1.010426171e+03 0.96 9.171817160e+02 0.98 8.321952879e+02 1.00 7.548645357e+02 1.02 6.845905223e+02 1.04 6.207915717e+02 1.06 5.629123618e+02 1.08 5.104295191e+02 1.10 4.628546484e+02 1.12 4.197355187e+02 1.14 3.806559564e+02 1.16 3.452348457e+02 1.18 3.131245444e+02 1.20 2.840089382e+02 1.22 2.576012902e+02 1.24 2.336420200e+02 1.26 2.118964826e+02 1.28 1.921528096e+02 1.30 1.742198629e+02 1.32 1.579252905e+02 1.34 1.431137201e+02 1.36 1.296451013e+02 1.38 1.173931843e+02 1.40 1.062441376e+02 1.42 9.609529403e+01 1.44 8.685401763e+01 1.46 7.843668406e+01 1.48 7.076775970e+01 1.50 6.377896491e+01 1.52 5.740855514e+01 1.54 5.160066654e+01 1.56 4.630472512e+01 1.58 4.147491881e+01 1.60 3.706972381e+01 1.62 3.305148170e+01 1.64 2.938602064e+01 1.66 2.604231559e+01 1.68 2.299218434e+01 1.70 2.021001633e+01 1.72 1.767254753e+01 1.74 1.535862790e+01 1.76 1.324900620e+01 1.78 1.132615206e+01 1.80 9.574096168e+00 1.82 7.978285794e+00 1.84 6.525454521e+00 1.86 5.203504531e+00 1.88 4.001399915e+00 1.90 2.909070292e+00 1.92 1.917323351e+00 1.94 1.017765504e+00 1.96 2.027281922e-01 1.98 -5.348223932e-01 2.00 -1.201332364e+00 2.02 -1.802690898e+00 2.04 -2.344279849e+00 2.06 -2.831019371e+00 2.08 -3.267409420e+00 2.10 -3.657567542e+00 2.12 -4.005263181e+00 2.14 -4.313948906e+00 2.16 -4.586788810e+00 2.18 -4.826684294e+00 2.20 -5.036297535e+00 2.22 -5.218072803e+00 2.24 -5.374255811e+00 2.26 -5.506909779e+00 2.28 -5.617902544e+00 2.30 -5.708930930e+00 2.32 -5.781573572e+00 2.34 -5.837306477e+00 2.36 -5.877509499e+00 2.38 -5.903472069e+00 2.40 -5.916398589e+00 2.42 -5.917413514e+00 2.44 -5.907566150e+00 2.46 -5.887835168e+00 2.48 -5.859132867e+00 2.50 -5.822309185e+00 2.52 -5.778155483e+00 2.54 -5.727408120e+00 2.56 -5.670751808e+00 2.58 -5.608822788e+00 2.60 -5.542211826e+00 2.62 -5.471485053e+00 2.64 -5.397213901e+00 2.66 -5.319930360e+00 2.68 -5.240121032e+00 2.70 -5.158230408e+00 2.72 -5.074663917e+00 2.74 -4.989790760e+00 2.76 -4.903946570e+00 2.78 -4.817435883e+00 2.80 -4.730534441e+00 2.82 -4.643491353e+00 2.84 -4.556531091e+00 2.86 -4.469855365e+00 2.88 -4.383644865e+00 2.90 -4.298060880e+00 2.92 -4.213246816e+00 2.94 -4.129329592e+00 2.96 -4.046420962e+00 2.98 -3.964618723e+00 3.00 -3.884007877e+00 3.02 -3.804644583e+00 3.04 -3.726516613e+00 3.06 -3.649598680e+00 3.08 -3.573867553e+00 3.10 -3.499301838e+00 3.12 -3.425881799e+00 3.14 -3.353589194e+00 3.16 -3.282407122e+00 3.18 -3.212319884e+00 3.20 -3.143312852e+00 3.22 -3.075372356e+00 3.24 -3.008485571e+00 3.26 -2.942640423e+00 3.28 -2.877825496e+00 3.30 -2.814029951e+00 3.32 -2.751243449e+00 3.34 -2.689456085e+00 3.36 -2.628658329e+00 3.38 -2.568840964e+00 3.40 -2.509995038e+00 3.42 -2.452111824e+00 3.44 -2.395182769e+00 3.46 -2.339199468e+00 3.48 -2.284153625e+00 3.50 -2.230037026e+00 3.52 -2.176841514e+00 3.54 -2.124558966e+00 3.56 -2.073181274e+00 3.58 -2.022700328e+00 3.60 -1.973108001e+00 3.62 -1.924396137e+00 3.64 -1.876556541e+00 3.66 -1.829580968e+00 3.68 -1.783461119e+00 3.70 -1.738188635e+00 3.72 -1.693755091e+00 3.74 -1.650151993e+00 3.76 -1.607370779e+00 3.78 -1.565402815e+00 3.80 -1.524239396e+00 3.82 -1.483871748e+00 3.84 -1.444291026e+00 3.86 -1.405488320e+00 3.88 -1.367454653e+00 3.90 -1.330180991e+00 3.92 -1.293658236e+00 3.94 -1.257877241e+00 3.96 -1.222828804e+00 3.98 -1.188503680e+00 4.00 -1.154892582e+00 4.02 -1.121986182e+00 4.04 -1.089775124e+00 4.06 -1.058250023e+00 4.08 -1.027401470e+00 4.10 -9.972200378e-01 4.12 -9.676962884e-01 4.14 -9.388207738e-01 4.16 -9.105840435e-01 4.18 -8.829766486e-01 4.20 -8.559891463e-01 4.22 -8.296121053e-01 4.24 -8.038361099e-01 4.26 -7.786517648e-01 4.28 -7.540496994e-01 4.30 -7.300205722e-01 4.32 -7.065550751e-01 4.34 -6.836439374e-01 4.36 -6.612779296e-01 4.38 -6.394478678e-01 4.40 -6.181446166e-01 4.42 -5.973590934e-01 4.44 -5.770822714e-01 4.46 -5.573051831e-01 4.48 -5.380189234e-01 4.50 -5.192146523e-01 4.52 -5.008835985e-01 4.54 -4.830170614e-01 4.56 -4.656064141e-01 4.58 -4.486431057e-01 4.60 -4.321186638e-01 4.62 -4.160246964e-01 4.64 -4.003528943e-01 4.66 -3.850950326e-01 4.68 -3.702429731e-01 4.70 -3.557886652e-01 4.72 -3.417241483e-01 4.74 -3.280415526e-01 4.76 -3.147331004e-01 4.78 -3.017911081e-01 4.80 -2.892079862e-01 4.82 -2.769762412e-01 4.84 -2.650884757e-01 4.86 -2.535373900e-01 4.88 -2.423157820e-01 4.90 -2.314165483e-01 4.92 -2.202434247e-01 4.94 -2.016454662e-01 4.96 -1.590588967e-01 4.98 -7.844889825e-02 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 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