# 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--ipr2 # 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 7.194400000e+26 0.04 3.597200000e+26 0.06 2.398133333e+26 0.08 1.798600000e+26 0.10 1.438880000e+26 0.12 1.199066667e+26 0.14 1.027771429e+26 0.16 8.993000000e+25 0.18 7.993777778e+25 0.20 7.194400000e+25 0.22 6.540363636e+25 0.24 5.995333333e+25 0.26 5.534153846e+25 0.28 5.138857143e+25 0.30 4.796266667e+25 0.32 4.496500000e+25 0.34 4.232000000e+25 0.36 3.996888889e+25 0.38 3.786526316e+25 0.40 3.597200000e+25 0.42 3.425904762e+25 0.44 3.270181818e+25 0.46 3.128000000e+25 0.48 2.997666667e+25 0.50 1.797051201e+25 0.52 9.577244134e+06 0.54 7.936727685e+06 0.56 6.601218004e+06 0.58 5.509195742e+06 0.60 4.612555125e+06 0.62 3.873460862e+06 0.64 3.261991099e+06 0.66 2.754358189e+06 0.68 2.331556756e+06 0.70 1.978330233e+06 0.72 1.682376206e+06 0.74 1.433731803e+06 0.76 1.224296018e+06 0.78 1.047456132e+06 0.80 8.977945753e+05 0.82 7.708573542e+05 0.84 6.629705178e+05 0.86 5.710940356e+05 0.88 4.927049426e+05 0.90 4.257033657e+05 0.92 3.683369473e+05 0.94 3.191395541e+05 0.96 2.768815576e+05 0.98 2.405292949e+05 1.00 2.092119501e+05 1.02 1.818691978e+05 1.04 1.577394365e+05 1.06 1.365153363e+05 1.08 1.179054365e+05 1.10 1.016361727e+05 1.12 8.745313645e+04 1.14 7.512168406e+04 1.16 6.442701508e+04 1.18 5.517382982e+04 1.20 4.718566350e+04 1.22 4.030398166e+04 1.24 3.438711010e+04 1.26 2.930906042e+04 1.28 2.495830100e+04 1.30 2.123651397e+04 1.32 1.805736912e+04 1.34 1.534533881e+04 1.36 1.303457066e+04 1.38 1.106782972e+04 1.40 9.395517344e+03 1.42 7.974770061e+03 1.44 6.768639306e+03 1.46 5.745350413e+03 1.48 4.877637869e+03 1.50 4.142152695e+03 1.52 3.518937064e+03 1.54 2.990960918e+03 1.56 2.543715160e+03 1.58 2.164856030e+03 1.60 1.843895444e+03 1.62 1.571932290e+03 1.64 1.341420060e+03 1.66 1.145966476e+03 1.68 9.801612036e+02 1.70 8.394280792e+02 1.72 7.198986576e+02 1.74 6.183042356e+02 1.76 5.318838249e+02 1.78 4.583058634e+02 1.80 3.956017120e+02 1.82 3.421092499e+02 1.84 2.964250932e+02 1.86 2.573641653e+02 1.88 2.239255239e+02 1.90 1.952635004e+02 1.92 1.706633461e+02 1.94 1.495206932e+02 1.96 1.313242436e+02 1.98 1.156411844e+02 2.00 1.021049095e+02 2.02 9.003387734e+01 2.04 7.895840962e+01 2.06 6.886629297e+01 2.08 5.973691523e+01 2.10 5.154188993e+01 2.12 4.424581805e+01 2.14 3.780718146e+01 2.16 3.217937667e+01 2.18 2.731189278e+01 2.20 2.315163775e+01 2.22 1.963388506e+01 2.24 1.665753817e+01 2.26 1.412581195e+01 2.28 1.195613067e+01 2.30 1.007823735e+01 2.32 8.436207404e+00 2.34 6.996241345e+00 2.36 5.731991412e+00 2.38 4.620189108e+00 2.40 3.640387898e+00 2.42 2.775907460e+00 2.44 2.016493806e+00 2.46 1.353542268e+00 2.48 7.787695616e-01 2.50 2.842363600e-01 2.52 -1.383896370e-01 2.54 -4.996565412e-01 2.56 -8.093559084e-01 2.58 -1.075801794e+00 2.60 -1.305960221e+00 2.62 -1.504900410e+00 2.64 -1.674396387e+00 2.66 -1.815725880e+00 2.68 -1.930418400e+00 2.70 -2.020228615e+00 2.72 -2.087215866e+00 2.74 -2.133925154e+00 2.76 -2.162837943e+00 2.78 -2.176238478e+00 2.80 -2.176221579e+00 2.82 -2.164678628e+00 2.84 -2.143281987e+00 2.86 -2.113623804e+00 2.88 -2.077236893e+00 2.90 -2.035581499e+00 2.92 -1.990031488e+00 2.94 -1.941860029e+00 2.96 -1.892224606e+00 2.98 -1.842151568e+00 3.00 -1.792519942e+00 3.02 -1.744014388e+00 3.04 -1.697000121e+00 3.06 -1.651601121e+00 3.08 -1.607776625e+00 3.10 -1.565370147e+00 3.12 -1.524153240e+00 3.14 -1.483863685e+00 3.16 -1.444237746e+00 3.18 -1.405036157e+00 3.20 -1.366063511e+00 3.22 -1.327180545e+00 3.24 -1.288308785e+00 3.26 -1.249428637e+00 3.28 -1.210569323e+00 3.30 -1.171790175e+00 3.32 -1.133163255e+00 3.34 -1.094766167e+00 3.36 -1.056635393e+00 3.38 -1.018764838e+00 3.40 -9.811167639e-01 3.42 -9.436372176e-01 3.44 -9.062599317e-01 3.46 -8.689188641e-01 3.48 -8.315602269e-01 3.50 -7.941359078e-01 3.52 -7.566342527e-01 3.54 -7.190494929e-01 3.56 -6.814223728e-01 3.58 -6.438338531e-01 3.60 -6.063277800e-01 3.62 -5.691396008e-01 3.64 -5.319814559e-01 3.66 -4.948670487e-01 3.68 -4.594970106e-01 3.70 -4.271416369e-01 3.72 -3.990934159e-01 3.74 -3.723312216e-01 3.76 -3.438278357e-01 3.78 -3.120965593e-01 3.80 -2.767532942e-01 3.82 -2.379987017e-01 3.84 -1.981010487e-01 3.86 -1.596466494e-01 3.88 -1.242345617e-01 3.90 -9.274620021e-02 3.92 -6.555711655e-02 3.94 -4.269940615e-02 3.96 -2.398357008e-02 3.98 -9.087562209e-03 4.00 2.380274926e-03 4.02 1.083864464e-02 4.04 1.670621943e-02 4.06 2.038601973e-02 4.08 2.225789479e-02 4.10 2.267645410e-02 4.12 2.197237752e-02 4.14 2.045552573e-02 4.16 1.841873064e-02 4.18 1.614152497e-02 4.20 1.389331535e-02 4.22 1.188763683e-02 4.24 1.014198051e-02 4.26 8.627587616e-03 4.28 7.318199399e-03 4.30 6.189913550e-03 4.32 5.221044154e-03 4.34 4.391982842e-03 4.36 3.685063524e-03 4.38 3.084429790e-03 4.40 2.575905765e-03 4.42 2.146869866e-03 4.44 1.786133085e-03 4.46 1.483821027e-03 4.48 1.231259839e-03 4.50 1.020867117e-03 4.52 8.460480067e-04 4.54 7.010953786e-04 4.56 5.810963133e-04 4.58 4.818437136e-04 4.60 3.997539099e-04 4.62 3.317906324e-04 4.64 2.753949499e-04 4.66 2.284224546e-04 4.68 1.890869845e-04 4.70 1.559115623e-04 4.72 1.277564768e-04 4.74 1.039392264e-04 4.76 8.391555850e-05 4.78 6.719252154e-05 4.80 5.332542016e-05 4.82 4.191480711e-05 4.84 3.260358746e-05 4.86 2.507409513e-05 4.88 1.904533172e-05 4.90 1.427016682e-05 4.92 1.053270038e-05 4.94 7.645658568e-06 4.96 5.447886387e-06 4.98 3.801914399e-06 5.00 2.591614062e-06 5.02 1.719985253e-06 5.04 1.106989409e-06 5.06 6.875286987e-07 5.08 4.095183394e-07 5.10 2.320726764e-07 5.12 1.238163574e-07 5.14 6.131339316e-08 5.16 2.762429305e-08 5.18 1.099748004e-08 5.20 3.697233119e-09 5.22 9.729587131e-10 5.24 1.738187413e-10 5.26 1.531799055e-11 5.28 2.400452121e-13 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