# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2003--Mendelev-M-I-Han-S-Srolovitz-D-J-et-al--Fe-2 # implementation = 2003--Mendelev-M-I--Fe-2--LAMMPS--ipr3 # 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 Fe Fe 0.02 4.183499173e+13 0.04 1.683499173e+13 0.06 8.501658395e+12 0.08 4.334991729e+12 0.10 5.288649679e+11 0.12 3.206730047e+04 0.14 2.436793552e+04 0.16 1.898812626e+04 0.18 1.508764218e+04 0.20 1.217807297e+04 0.22 9.958081943e+03 0.24 8.232767650e+03 0.26 6.871174066e+03 0.28 5.782520011e+03 0.30 4.902221946e+03 0.32 4.183322552e+03 0.34 3.591042501e+03 0.36 3.099209108e+03 0.38 2.687852154e+03 0.40 2.341547590e+03 0.42 2.048253253e+03 0.44 1.798475823e+03 0.46 1.584665426e+03 0.48 1.400769528e+03 0.50 1.241900145e+03 0.52 1.104082797e+03 0.54 9.840652293e+02 0.56 8.791703375e+02 0.58 7.871821305e+02 0.60 7.062566323e+02 0.62 6.348517709e+02 0.64 5.716718442e+02 0.66 5.156232592e+02 0.68 4.657790511e+02 0.70 4.213502852e+02 0.72 3.816628864e+02 0.74 3.461387741e+02 0.76 3.142804297e+02 0.78 2.856582162e+02 0.80 2.598999134e+02 0.82 2.366820461e+02 0.84 2.157226698e+02 0.86 1.967753449e+02 0.88 1.796240857e+02 0.90 1.640791109e+02 0.92 1.499732560e+02 0.94 1.371589344e+02 0.96 1.255055543e+02 0.98 1.148973173e+02 1.00 1.052313379e+02 1.02 9.631656738e+01 1.04 8.800744353e+01 1.06 8.027725248e+01 1.08 7.309860856e+01 1.10 6.644376815e+01 1.12 6.028490887e+01 1.14 5.459437295e+01 1.16 4.934487631e+01 1.18 4.450968577e+01 1.20 4.006276642e+01 1.22 3.597890169e+01 1.24 3.223378852e+01 1.26 2.880411002e+01 1.28 2.566758818e+01 1.30 2.280301868e+01 1.32 2.019029035e+01 1.34 1.781039108e+01 1.36 1.564540228e+01 1.38 1.367848375e+01 1.40 1.189385043e+01 1.42 1.027674272e+01 1.44 8.813391534e+00 1.46 7.490979487e+00 1.48 6.297599089e+00 1.50 5.222208971e+00 1.52 4.254588906e+00 1.54 3.385294315e+00 1.56 2.605610831e+00 1.58 1.907509397e+00 1.60 1.283602300e+00 1.62 7.271004456e-01 1.64 2.317721347e-01 1.66 -2.080964829e-01 1.68 -5.977391289e-01 1.70 -9.419452052e-01 1.72 -1.245093633e+00 1.74 -1.511184700e+00 1.76 -1.743869918e+00 1.78 -1.946479913e+00 1.80 -2.122050401e+00 1.82 -2.273346284e+00 1.84 -2.402883957e+00 1.86 -2.512951881e+00 1.88 -2.605629515e+00 1.90 -2.682804687e+00 1.92 -2.746189483e+00 1.94 -2.797334761e+00 1.96 -2.837643351e+00 1.98 -2.868382059e+00 2.00 -2.890692487e+00 2.02 -2.909130334e+00 2.04 -2.927285039e+00 2.06 -2.944754947e+00 2.08 -2.961128904e+00 2.10 -2.975985364e+00 2.12 -2.988891464e+00 2.14 -2.999402152e+00 2.16 -3.007059346e+00 2.18 -3.011391169e+00 2.20 -3.011911235e+00 2.22 -3.008310240e+00 2.24 -3.001032063e+00 2.26 -2.990696585e+00 2.28 -2.977907013e+00 2.30 -2.963249453e+00 2.32 -2.947202106e+00 2.34 -2.929863622e+00 2.36 -2.911223824e+00 2.38 -2.891253515e+00 2.40 -2.869903693e+00 2.42 -2.847119740e+00 2.44 -2.822893445e+00 2.46 -2.797230028e+00 2.48 -2.770134764e+00 2.50 -2.741612992e+00 2.52 -2.711707436e+00 2.54 -2.680610192e+00 2.56 -2.648550746e+00 2.58 -2.615758647e+00 2.60 -2.582463506e+00 2.62 -2.548847289e+00 2.64 -2.514901187e+00 2.66 -2.480568747e+00 2.68 -2.445793583e+00 2.70 -2.410519381e+00 2.72 -2.374704063e+00 2.74 -2.338362299e+00 2.76 -2.301522999e+00 2.78 -2.264215153e+00 2.80 -2.226467827e+00 2.82 -2.188303298e+00 2.84 -2.149716430e+00 2.86 -2.110695302e+00 2.88 -2.071228086e+00 2.90 -2.031303050e+00 2.92 -1.990908543e+00 2.94 -1.950033043e+00 2.96 -1.908665102e+00 2.98 -1.866793417e+00 3.00 -1.824406763e+00 3.02 -1.781511556e+00 3.04 -1.738184219e+00 3.06 -1.694518782e+00 3.08 -1.650609441e+00 3.10 -1.606550552e+00 3.12 -1.562436619e+00 3.14 -1.518362316e+00 3.16 -1.474422516e+00 3.18 -1.430712293e+00 3.20 -1.387326939e+00 3.22 -1.344361801e+00 3.24 -1.301911724e+00 3.26 -1.260071541e+00 3.28 -1.218936310e+00 3.30 -1.178601176e+00 3.32 -1.139140170e+00 3.34 -1.100542818e+00 3.36 -1.062778434e+00 3.38 -1.025816077e+00 3.40 -9.896236849e-01 3.42 -9.541725469e-01 3.44 -9.194311166e-01 3.46 -8.853684011e-01 3.48 -8.519578246e-01 3.50 -8.191635232e-01 3.52 -7.869650918e-01 3.54 -7.553221193e-01 3.56 -7.242111204e-01 3.58 -6.936167927e-01 3.60 -6.634535431e-01 3.62 -6.337944125e-01 3.64 -6.041577894e-01 3.66 -5.743353548e-01 3.68 -5.457820419e-01 3.70 -5.195049281e-01 3.72 -4.965622904e-01 3.74 -4.738601950e-01 3.76 -4.483599320e-01 3.78 -4.185853491e-01 3.80 -3.841821090e-01 3.82 -3.453971256e-01 3.84 -3.045587836e-01 3.86 -2.643248679e-01 3.88 -2.263748564e-01 3.90 -1.916772607e-01 3.92 -1.606992588e-01 3.94 -1.335670936e-01 3.96 -1.101860733e-01 3.98 -9.032791016e-02 4.00 -7.369210612e-02 4.02 -5.994713996e-02 4.04 -4.875633039e-02 4.06 -3.979244154e-02 4.08 -3.274436391e-02 4.10 -2.731854329e-02 4.12 -2.323724298e-02 4.14 -2.023521111e-02 4.16 -1.805588421e-02 4.18 -1.644789176e-02 4.20 -1.516233229e-02 4.22 -1.399198245e-02 4.24 -1.289336176e-02 4.26 -1.186390335e-02 4.28 -1.090104027e-02 4.30 -1.000220556e-02 4.32 -9.164832286e-03 4.34 -8.386353492e-03 4.36 -7.664202232e-03 4.38 -6.995811559e-03 4.40 -6.378614524e-03 4.42 -5.810044181e-03 4.44 -5.287533582e-03 4.46 -4.808515778e-03 4.48 -4.370423821e-03 4.50 -3.970690765e-03 4.52 -3.606749662e-03 4.54 -3.276033562e-03 4.56 -2.975975520e-03 4.58 -2.704008587e-03 4.60 -2.457565815e-03 4.62 -2.234080256e-03 4.64 -2.030984963e-03 4.66 -1.845712989e-03 4.68 -1.675697384e-03 4.70 -1.518371202e-03 4.72 -1.371539083e-03 4.74 -1.234492023e-03 4.76 -1.106892606e-03 4.78 -9.884034164e-04 4.80 -8.786870381e-04 4.82 -7.774060553e-04 4.84 -6.842230523e-04 4.86 -5.988006132e-04 4.88 -5.208013222e-04 4.90 -4.498877635e-04 4.92 -3.857225212e-04 4.94 -3.279681796e-04 4.96 -2.762873228e-04 4.98 -2.303425349e-04 5.00 -1.897964002e-04 5.02 -1.543115029e-04 5.04 -1.235504271e-04 5.06 -9.717575692e-05 5.08 -7.485007665e-05 5.10 -5.623597044e-05 5.12 -4.099602245e-05 5.14 -2.879281686e-05 5.16 -1.928893786e-05 5.18 -1.214696961e-05 5.20 -7.029496305e-06 5.22 -3.599102108e-06 5.24 -1.518371202e-06 5.26 -4.498877635e-07 5.28 -5.623597044e-08 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