# 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--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 Fe Fe 0.02 5.000000000e+13 0.04 2.500000000e+13 0.06 1.666666667e+13 0.08 1.250000000e+13 0.10 1.000000000e+13 0.12 8.333333333e+12 0.14 7.142857143e+12 0.16 6.250000000e+12 0.18 5.555555556e+12 0.20 5.000000000e+12 0.22 4.545454545e+12 0.24 4.166666667e+12 0.26 3.846153846e+12 0.28 3.571428571e+12 0.30 3.333333333e+12 0.32 3.125000000e+12 0.34 2.941176471e+12 0.36 2.777777778e+12 0.38 2.631578947e+12 0.40 2.500000000e+12 0.42 2.380952381e+12 0.44 2.272727273e+12 0.46 2.173913043e+12 0.48 2.083333333e+12 0.50 1.248923609e+12 0.52 1.104082798e+03 0.54 9.840652288e+02 0.56 8.791703362e+02 0.58 7.871821304e+02 0.60 7.062566325e+02 0.62 6.348517718e+02 0.64 5.716718445e+02 0.66 5.156232589e+02 0.68 4.657790508e+02 0.70 4.213502845e+02 0.72 3.816628869e+02 0.74 3.461387734e+02 0.76 3.142804306e+02 0.78 2.856582154e+02 0.80 2.598999117e+02 0.82 2.366820458e+02 0.84 2.157226705e+02 0.86 1.967753437e+02 0.88 1.796240860e+02 0.90 1.640791109e+02 0.92 1.499732559e+02 0.94 1.371589343e+02 0.96 1.255055544e+02 0.98 1.148973170e+02 1.00 1.052313379e+02 1.02 9.631656739e+01 1.04 8.800744353e+01 1.06 8.027725248e+01 1.08 7.309860856e+01 1.10 6.644376814e+01 1.12 6.028490887e+01 1.14 5.459437294e+01 1.16 4.934487631e+01 1.18 4.450968577e+01 1.20 4.006276641e+01 1.22 3.597890169e+01 1.24 3.223378851e+01 1.26 2.880411002e+01 1.28 2.566758818e+01 1.30 2.280301868e+01 1.32 2.019029035e+01 1.34 1.781039107e+01 1.36 1.564540228e+01 1.38 1.367848375e+01 1.40 1.189385043e+01 1.42 1.027674272e+01 1.44 8.813391532e+00 1.46 7.490979487e+00 1.48 6.297599088e+00 1.50 5.222208970e+00 1.52 4.254588904e+00 1.54 3.385294314e+00 1.56 2.605610831e+00 1.58 1.907509396e+00 1.60 1.283602299e+00 1.62 7.271004453e-01 1.64 2.317721339e-01 1.66 -2.080964822e-01 1.68 -5.977391289e-01 1.70 -9.419452049e-01 1.72 -1.245093634e+00 1.74 -1.511184700e+00 1.76 -1.743869918e+00 1.78 -1.946479913e+00 1.80 -2.122050401e+00 1.82 -2.273346285e+00 1.84 -2.402883957e+00 1.86 -2.512951881e+00 1.88 -2.605629515e+00 1.90 -2.682804686e+00 1.92 -2.746189484e+00 1.94 -2.797334761e+00 1.96 -2.837643352e+00 1.98 -2.868382060e+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 -2.988891465e+00 2.14 -2.999402151e+00 2.16 -3.007059346e+00 2.18 -3.011391168e+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 -2.947202107e+00 2.34 -2.929863622e+00 2.36 -2.911223825e+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 -2.770134765e+00 2.50 -2.741612993e+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 -1.950033044e+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 -1.562436618e+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 -1.178601177e+00 3.32 -1.139140170e+00 3.34 -1.100542819e+00 3.36 -1.062778434e+00 3.38 -1.025816077e+00 3.40 -9.896236849e-01 3.42 -9.541725470e-01 3.44 -9.194311166e-01 3.46 -8.853684010e-01 3.48 -8.519578245e-01 3.50 -8.191635230e-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 -6.337944126e-01 3.64 -6.041577894e-01 3.66 -5.743353547e-01 3.68 -5.457820418e-01 3.70 -5.195049280e-01 3.72 -4.965622905e-01 3.74 -4.738601950e-01 3.76 -4.483599322e-01 3.78 -4.185853490e-01 3.80 -3.841821091e-01 3.82 -3.453971257e-01 3.84 -3.045587835e-01 3.86 -2.643248680e-01 3.88 -2.263748565e-01 3.90 -1.916772610e-01 3.92 -1.606992591e-01 3.94 -1.335670937e-01 3.96 -1.101860734e-01 3.98 -9.032791039e-02 4.00 -7.369210662e-02 4.02 -5.994713957e-02 4.04 -4.875633044e-02 4.06 -3.979244166e-02 4.08 -3.274436374e-02 4.10 -2.731854297e-02 4.12 -2.323724313e-02 4.14 -2.023521068e-02 4.16 -1.805588460e-02 4.18 -1.644789158e-02 4.20 -1.516233230e-02 4.22 -1.399198242e-02 4.24 -1.289336180e-02 4.26 -1.186390339e-02 4.28 -1.090104034e-02 4.30 -1.000220557e-02 4.32 -9.164832279e-03 4.34 -8.386353498e-03 4.36 -7.664202249e-03 4.38 -6.995811535e-03 4.40 -6.378614551e-03 4.42 -5.810044214e-03 4.44 -5.287533531e-03 4.46 -4.808515754e-03 4.48 -4.370423894e-03 4.50 -3.970690736e-03 4.52 -3.606749646e-03 4.54 -3.276033527e-03 4.56 -2.975975494e-03 4.58 -2.704008619e-03 4.60 -2.457565809e-03 4.62 -2.234080327e-03 4.64 -2.030984962e-03 4.66 -1.845712913e-03 4.68 -1.675697429e-03 4.70 -1.518371155e-03 4.72 -1.371539046e-03 4.74 -1.234492004e-03 4.76 -1.106892590e-03 4.78 -9.884034060e-04 4.80 -8.786870711e-04 4.82 -7.774060726e-04 4.84 -6.842230898e-04 4.86 -5.988005794e-04 4.88 -5.208013143e-04 4.90 -4.498877802e-04 4.92 -3.857225469e-04 4.94 -3.279681631e-04 4.96 -2.762872825e-04 4.98 -2.303425698e-04 5.00 -1.897963576e-04 5.02 -1.543114724e-04 5.04 -1.235504058e-04 5.06 -9.717574284e-05 5.08 -7.485012565e-05 5.10 -5.623602681e-05 5.12 -4.099602455e-05 5.14 -2.879279519e-05 5.16 -1.928894384e-05 5.18 -1.214701083e-05 5.20 -7.029500641e-06 5.22 -3.599147578e-06 5.24 -1.518344370e-06 5.26 -4.498790198e-07 5.28 -5.621114763e-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