# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2009--Kim-Y-M-Shin-Y-H-Lee-B-J--Mn # implementation = 2009--Kim-Y-M--Mn--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 Mn Mn 0.02 4.813139673e+02 0.04 4.544540812e+02 0.06 4.292684659e+02 0.08 4.056059493e+02 0.10 3.833373561e+02 0.12 3.623513931e+02 0.14 3.425513550e+02 0.16 3.238524890e+02 0.18 3.061798827e+02 0.20 2.894667721e+02 0.22 2.736531834e+02 0.24 2.586848416e+02 0.26 2.445122925e+02 0.28 2.310901931e+02 0.30 2.183767382e+02 0.32 2.063331942e+02 0.34 1.949235189e+02 0.36 1.841140494e+02 0.38 1.738732455e+02 0.40 1.641714757e+02 0.42 1.549808388e+02 0.44 1.462750130e+02 0.46 1.380291277e+02 0.48 1.302196532e+02 0.50 1.228243054e+02 0.52 1.158219612e+02 0.54 1.091925851e+02 0.56 1.029171628e+02 0.58 9.697764130e+01 0.60 9.135687494e+01 0.62 8.603857575e+01 0.64 8.100726779e+01 0.66 7.624824480e+01 0.68 7.174753079e+01 0.70 6.749184321e+01 0.72 6.346855828e+01 0.74 5.966567848e+01 0.76 5.607180171e+01 0.78 5.267609229e+01 0.80 4.946825329e+01 0.82 4.643850045e+01 0.84 4.357753732e+01 0.86 4.087653164e+01 0.88 3.832709286e+01 0.90 3.592125082e+01 0.92 3.365143533e+01 0.94 3.151045684e+01 0.96 2.949148798e+01 0.98 2.758804592e+01 1.00 2.579397569e+01 1.02 2.410343417e+01 1.04 2.251087491e+01 1.06 2.101103361e+01 1.08 1.959891433e+01 1.10 1.826977633e+01 1.12 1.701912154e+01 1.14 1.584268259e+01 1.16 1.473641144e+01 1.18 1.369646848e+01 1.20 1.271921222e+01 1.22 1.180118937e+01 1.24 1.093912541e+01 1.26 1.012991554e+01 1.28 9.370616135e+00 1.30 8.658436437e+00 1.32 7.990730700e+00 1.34 7.364990641e+00 1.36 6.778838227e+00 1.38 6.230018762e+00 1.40 5.716394301e+00 1.42 5.235937345e+00 1.44 4.786724852e+00 1.46 4.366932534e+00 1.48 3.974829460e+00 1.50 3.608772961e+00 1.52 3.267203834e+00 1.54 2.948641856e+00 1.56 2.651681595e+00 1.58 2.374988518e+00 1.60 2.117295396e+00 1.62 1.877398982e+00 1.64 1.654156949e+00 1.66 1.446485082e+00 1.68 1.253354683e+00 1.70 1.073790182e+00 1.72 9.068669115e-01 1.74 7.517090356e-01 1.76 6.074875903e-01 1.78 4.734186199e-01 1.80 3.487613821e-01 1.82 2.328166016e-01 1.84 1.249247546e-01 1.86 2.446437187e-02 1.88 -6.914965023e-02 1.90 -1.564677331e-01 1.92 -2.380072946e-01 1.94 -3.142544167e-01 1.96 -3.856654917e-01 1.98 -4.526688322e-01 2.00 -5.156662233e-01 2.02 -5.750343918e-01 2.04 -6.311263614e-01 2.06 -6.842726577e-01 2.08 -7.347823201e-01 2.10 -7.829436735e-01 2.12 -8.290248054e-01 2.14 -8.732736904e-01 2.16 -9.159178982e-01 2.18 -9.571638219e-01 2.20 -9.971953645e-01 2.22 -1.036172031e+00 2.24 -1.074226396e+00 2.26 -1.111460945e+00 2.28 -1.147944350e+00 2.30 -1.183707306e+00 2.32 -1.218738177e+00 2.34 -1.252978809e+00 2.36 -1.286321039e+00 2.38 -1.318604579e+00 2.40 -1.349617058e+00 2.42 -1.379097070e+00 2.44 -1.406740978e+00 2.46 -1.432213939e+00 2.48 -1.455165131e+00 2.50 -1.475246508e+00 2.52 -1.492133670e+00 2.54 -1.505546824e+00 2.56 -1.515269536e+00 2.58 -1.521163116e+00 2.60 -1.523175147e+00 2.62 -1.521341540e+00 2.64 -1.515782484e+00 2.66 -1.506693329e+00 2.68 -1.494331840e+00 2.70 -1.479003263e+00 2.72 -1.461044536e+00 2.74 -1.440808760e+00 2.76 -1.418650855e+00 2.78 -1.394915119e+00 2.80 -1.369925193e+00 2.82 -1.343976722e+00 2.84 -1.317332708e+00 2.86 -1.290221384e+00 2.88 -1.262836221e+00 2.90 -1.235337624e+00 2.92 -1.207855818e+00 2.94 -1.180494448e+00 2.96 -1.153334495e+00 2.98 -1.126438179e+00 3.00 -1.099852604e+00 3.02 -1.073613002e+00 3.04 -1.047745487e+00 3.06 -1.022269306e+00 3.08 -9.971986083e-01 3.10 -9.725437816e-01 3.12 -9.483124388e-01 3.14 -9.245101146e-01 3.16 -9.011407492e-01 3.18 -8.782070174e-01 3.20 -8.557105517e-01 3.22 -8.336520952e-01 3.24 -8.120316112e-01 3.26 -7.908483654e-01 3.28 -7.701009921e-01 3.30 -7.497875506e-01 3.32 -7.299055757e-01 3.34 -7.104521227e-01 3.36 -6.914238107e-01 3.38 -6.728168618e-01 3.40 -6.546271378e-01 3.42 -6.368501756e-01 3.44 -6.194812188e-01 3.46 -6.025152488e-01 3.48 -5.859470126e-01 3.50 -5.697710498e-01 3.52 -5.526531552e-01 3.54 -5.179530492e-01 3.56 -4.238838482e-01 3.58 -2.233916278e-01 3.60 0.000000000e+00 3.62 0.000000000e+00 3.64 0.000000000e+00 3.66 0.000000000e+00 3.68 0.000000000e+00 3.70 0.000000000e+00 3.72 0.000000000e+00 3.74 0.000000000e+00 3.76 0.000000000e+00 3.78 0.000000000e+00 3.80 0.000000000e+00 3.82 0.000000000e+00 3.84 0.000000000e+00 3.86 0.000000000e+00 3.88 0.000000000e+00 3.90 0.000000000e+00 3.92 0.000000000e+00 3.94 0.000000000e+00 3.96 0.000000000e+00 3.98 0.000000000e+00 4.00 0.000000000e+00 4.02 0.000000000e+00 4.04 0.000000000e+00 4.06 0.000000000e+00 4.08 0.000000000e+00 4.10 0.000000000e+00 4.12 0.000000000e+00 4.14 0.000000000e+00 4.16 0.000000000e+00 4.18 0.000000000e+00 4.20 0.000000000e+00 4.22 0.000000000e+00 4.24 0.000000000e+00 4.26 0.000000000e+00 4.28 0.000000000e+00 4.30 0.000000000e+00 4.32 0.000000000e+00 4.34 0.000000000e+00 4.36 0.000000000e+00 4.38 0.000000000e+00 4.40 0.000000000e+00 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