# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 1998--Meyer-R-Entel-P--Fe # implementation = 1998--Meyer-R--Fe--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 4.879398924e+05 0.04 2.435851563e+05 0.06 1.646559815e+05 0.08 1.272891143e+05 0.10 1.065005313e+05 0.12 9.368858967e+04 0.14 8.497382057e+04 0.16 7.836885359e+04 0.18 7.282367601e+04 0.20 6.780378624e+04 0.22 6.306445107e+04 0.24 5.851802504e+04 0.26 5.415454332e+04 0.28 4.999561057e+04 0.30 4.606939187e+04 0.32 4.239861231e+04 0.34 3.899615280e+04 0.36 3.586472743e+04 0.38 3.299846803e+04 0.40 3.038515408e+04 0.42 2.800841898e+04 0.44 2.584962729e+04 0.46 2.388932627e+04 0.48 2.210828410e+04 0.50 2.048817551e+04 0.52 1.901199043e+04 0.54 1.766423768e+04 0.56 1.643100563e+04 0.58 1.529992831e+04 0.60 1.426009381e+04 0.62 1.330192118e+04 0.64 1.241702389e+04 0.66 1.159807184e+04 0.68 1.083865923e+04 0.70 1.013318251e+04 0.72 9.476730489e+03 0.74 8.864987137e+03 0.76 8.294146927e+03 0.78 7.760841784e+03 0.80 7.262078645e+03 0.82 6.795186418e+03 0.84 6.357771136e+03 0.86 5.947678164e+03 0.88 5.562960428e+03 0.90 5.201851702e+03 0.92 4.862744147e+03 0.94 4.544169386e+03 0.96 4.244782502e+03 0.98 3.963348450e+03 1.00 3.698730460e+03 1.02 3.449880068e+03 1.04 3.215828497e+03 1.06 2.995679133e+03 1.08 2.788600929e+03 1.10 2.593822560e+03 1.12 2.410627217e+03 1.14 2.238347939e+03 1.16 2.076363406e+03 1.18 1.924094122e+03 1.20 1.780998949e+03 1.22 1.646571945e+03 1.24 1.520339466e+03 1.26 1.401857526e+03 1.28 1.290709366e+03 1.30 1.186503236e+03 1.32 1.088874238e+03 1.34 9.978101086e+02 1.36 9.139103450e+02 1.38 8.367548350e+02 1.40 7.654832505e+02 1.42 6.994454071e+02 1.44 6.381474521e+02 1.46 5.812026333e+02 1.48 5.282976402e+02 1.50 4.791696767e+02 1.52 4.335909079e+02 1.54 3.913619376e+02 1.56 3.523157659e+02 1.58 3.162924850e+02 1.60 2.831332406e+02 1.62 2.526816815e+02 1.64 2.247848712e+02 1.66 1.992938433e+02 1.68 1.760639282e+02 1.70 1.549549326e+02 1.72 1.358312291e+02 1.74 1.185617923e+02 1.76 1.030201897e+02 1.78 8.908404586e+01 1.80 7.663511886e+01 1.82 6.556008978e+01 1.84 5.575049126e+01 1.86 4.710261540e+01 1.88 3.951745462e+01 1.90 3.290066793e+01 1.92 2.716256740e+01 1.94 2.221812041e+01 1.96 1.798696471e+01 1.98 1.439343380e+01 2.00 1.136659079e+01 2.02 8.839812739e+00 2.04 6.745632459e+00 2.06 5.019884262e+00 2.08 3.606489089e+00 2.10 2.456718316e+00 2.12 1.528403893e+00 2.14 7.852136142e-01 2.16 1.959871616e-01 2.18 -2.658710261e-01 2.20 -6.229457515e-01 2.22 -8.943153047e-01 2.24 -1.096009097e+00 2.26 -1.241421587e+00 2.28 -1.341685204e+00 2.30 -1.406004756e+00 2.32 -1.441955672e+00 2.34 -1.455748232e+00 2.36 -1.452459807e+00 2.38 -1.436236990e+00 2.40 -1.410469381e+00 2.42 -1.377936652e+00 2.44 -1.340930433e+00 2.46 -1.301352452e+00 2.48 -1.260790262e+00 2.50 -1.220569459e+00 2.52 -1.181477776e+00 2.54 -1.143556234e+00 2.56 -1.106761458e+00 2.58 -1.071049619e+00 2.60 -1.036376494e+00 2.62 -1.002697506e+00 2.64 -9.699677781e-01 2.66 -9.381421620e-01 2.68 -9.071752743e-01 2.70 -8.770213928e-01 2.72 -8.476087206e-01 2.74 -8.188192902e-01 2.76 -7.905529347e-01 2.78 -7.627349343e-01 2.80 -7.353142025e-01 2.82 -7.082612078e-01 2.84 -6.815656421e-01 2.86 -6.552338490e-01 2.88 -6.292878094e-01 2.90 -6.037841645e-01 2.92 -5.787932257e-01 2.94 -5.543739239e-01 2.96 -5.305743059e-01 2.98 -5.074326027e-01 3.00 -4.849782262e-01 3.02 -4.632327014e-01 3.04 -4.422105342e-01 3.06 -4.219200196e-01 3.08 -4.023639929e-01 3.10 -3.835405247e-01 3.12 -3.654435658e-01 3.14 -3.480635403e-01 3.16 -3.313878921e-01 3.18 -3.154015855e-01 3.20 -3.000875632e-01 3.22 -2.854271611e-01 3.24 -2.714004852e-01 3.26 -2.579867492e-01 3.28 -2.451645764e-01 3.30 -2.329122666e-01 3.32 -2.212080300e-01 3.34 -2.100301883e-01 3.36 -1.993573468e-01 3.38 -1.891685355e-01 3.40 -1.794433234e-01 3.42 -1.701619054e-01 3.44 -1.613051633e-01 3.46 -1.528547025e-01 3.48 -1.447928653e-01 3.50 -1.371027167e-01 3.52 -1.297680177e-01 3.54 -1.227731981e-01 3.56 -1.161033306e-01 3.58 -1.097441055e-01 3.60 -1.036818068e-01 3.62 -9.790328903e-02 3.64 -9.239595484e-02 3.66 -8.714773338e-02 3.68 -8.214705978e-02 3.70 -7.738285515e-02 3.72 -7.284450745e-02 3.74 -6.852185296e-02 3.76 -6.440515864e-02 3.78 -6.048510490e-02 3.80 -5.675276927e-02 3.82 -5.319961048e-02 3.84 -4.981745327e-02 3.86 -4.659847369e-02 3.88 -4.353518501e-02 3.90 -4.062042412e-02 3.92 -3.784733847e-02 3.94 -3.520937349e-02 3.96 -3.270026050e-02 3.98 -3.031400503e-02 4.00 -2.804487567e-02 4.02 -2.588739324e-02 4.04 -2.383632047e-02 4.06 -2.188665201e-02 4.08 -2.003360483e-02 4.10 -1.827260902e-02 4.12 -1.659929892e-02 4.14 -1.500950455e-02 4.16 -1.349924350e-02 4.18 -1.206471296e-02 4.20 -1.070228221e-02 4.22 -9.408485294e-03 4.24 -8.180014072e-03 4.26 -7.013711465e-03 4.28 -5.906565013e-03 4.30 -4.855700672e-03 4.32 -3.858376857e-03 4.34 -2.911978722e-03 4.36 -2.014012675e-03 4.38 -1.162101095e-03 4.40 -3.539772782e-04 4.42 0.000000000e+00 4.44 0.000000000e+00 4.46 0.000000000e+00 4.48 0.000000000e+00 4.50 0.000000000e+00 4.52 0.000000000e+00 4.54 0.000000000e+00 4.56 0.000000000e+00 4.58 0.000000000e+00 4.60 0.000000000e+00 4.62 0.000000000e+00 4.64 0.000000000e+00 4.66 0.000000000e+00 4.68 0.000000000e+00 4.70 0.000000000e+00 4.72 0.000000000e+00 4.74 0.000000000e+00 4.76 0.000000000e+00 4.78 0.000000000e+00 4.80 0.000000000e+00 4.82 0.000000000e+00 4.84 0.000000000e+00 4.86 0.000000000e+00 4.88 0.000000000e+00 4.90 0.000000000e+00 4.92 0.000000000e+00 4.94 0.000000000e+00 4.96 0.000000000e+00 4.98 0.000000000e+00 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