# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2017--Los-J-H-Kroes-J-M-H-Albe-K-et-al--B-N # implementation = 2017--Los-J-H--B-N--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 B B B N N N 0.02 5.671736995e+02 6.797119348e+02 3.827310388e+02 0.04 5.292881211e+02 6.288368286e+02 3.523685839e+02 0.06 4.937882556e+02 5.815022693e+02 3.241529080e+02 0.08 4.605294510e+02 5.374725921e+02 2.979415203e+02 0.10 4.293755978e+02 4.965273552e+02 2.736010173e+02 0.12 4.001986347e+02 4.584603771e+02 2.510065193e+02 0.14 3.728780816e+02 4.230788345e+02 2.300411405e+02 0.16 3.473005998e+02 3.902024155e+02 2.105954918e+02 0.18 3.233595770e+02 3.596625262e+02 1.925672138e+02 0.20 3.009547365e+02 3.313015466e+02 1.758605383e+02 0.22 2.799917685e+02 3.049721328e+02 1.603858764e+02 0.24 2.603819821e+02 2.805365632e+02 1.460594321e+02 0.26 2.420419782e+02 2.578661251e+02 1.328028395e+02 0.28 2.248933403e+02 2.368405396e+02 1.205428216e+02 0.30 2.088623433e+02 2.173474237e+02 1.092108710e+02 0.32 1.938796796e+02 1.992817842e+02 9.874294954e+01 0.34 1.798801998e+02 1.825455453e+02 8.907920651e+01 0.36 1.668026696e+02 1.670471043e+02 8.016371439e+01 0.38 1.545895396e+02 1.527009166e+02 7.194422067e+01 0.40 1.431867291e+02 1.394271055e+02 6.437191505e+01 0.42 1.325434222e+02 1.271510977e+02 5.740121107e+01 0.44 1.226118753e+02 1.158032812e+02 5.098954109e+01 0.46 1.133472364e+02 1.053186849e+02 4.509716417e+01 0.48 1.047073741e+02 9.563667851e+01 3.968698565e+01 0.50 9.665271721e+01 8.670069132e+01 3.472438805e+01 0.52 8.914610306e+01 7.845794907e+01 3.017707249e+01 0.54 8.215263500e+01 7.085922720e+01 2.601490985e+01 0.56 7.563954800e+01 6.385861992e+01 2.220980138e+01 0.58 6.957608210e+01 5.741332391e+01 1.873554785e+01 0.60 6.393336321e+01 5.148343580e+01 1.556772698e+01 0.62 5.868429084e+01 4.603176257e+01 1.268357849e+01 0.64 5.380343242e+01 4.102364398e+01 1.006189636e+01 0.66 4.926692372e+01 3.642678642e+01 7.682927873e+00 0.68 4.505237509e+01 3.221110733e+01 5.528278974e+00 0.70 4.113878327e+01 2.834858961e+01 3.580825614e+00 0.72 3.750644824e+01 2.481314533e+01 1.824630659e+00 0.74 3.413689499e+01 2.158048825e+01 2.448660704e-01 0.76 3.101279992e+01 1.862801444e+01 -1.172260014e+00 0.78 2.811792145e+01 1.593469069e+01 -2.439571560e+00 0.80 2.543703485e+01 1.348095005e+01 -3.568988595e+00 0.82 2.295587078e+01 1.124859408e+01 -4.571587098e+00 0.84 2.066105751e+01 9.220701559e+00 -5.457655063e+00 0.86 1.854006655e+01 7.381542912e+00 -6.236745006e+00 0.88 1.658116143e+01 5.716500343e+00 -6.917723095e+00 0.90 1.477334960e+01 4.211993078e+00 -7.508815143e+00 0.92 1.310633710e+01 2.855407485e+00 -8.017649649e+00 0.94 1.157048597e+01 1.635031753e+00 -8.451298069e+00 0.96 1.015677410e+01 5.399948265e-01 -8.816312496e+00 0.98 8.856757580e+00 -4.397906634e-01 -9.118760897e+00 1.00 7.662535216e+00 -1.313681737e+00 -9.364260085e+00 1.02 6.566715165e+00 -2.090354899e+00 -9.558006541e+00 1.04 5.562383574e+00 -2.777852708e+00 -9.704805236e+00 1.06 4.643075092e+00 -3.383627264e+00 -9.809096580e+00 1.08 3.802745136e+00 -3.914580846e+00 -9.874981606e+00 1.10 3.035743823e+00 -4.377103854e+00 -9.906245511e+00 1.12 2.336791462e+00 -4.777110238e+00 -9.906379644e+00 1.14 1.700955524e+00 -5.120070588e+00 -9.878602062e+00 1.16 1.123628989e+00 -5.411043011e+00 -9.825876714e+00 1.18 6.005100020e-01 -5.654701962e+00 -9.750931374e+00 1.20 1.275827563e-01 -5.855365143e+00 -9.656274371e+00 1.22 -2.989004706e-01 -6.017018612e+00 -9.544210215e+00 1.24 -6.824361916e-01 -6.143340197e+00 -9.416854179e+00 1.26 -1.026285563e+00 -6.237721349e+00 -9.276145908e+00 1.28 -1.333489275e+00 -6.303287512e+00 -9.123862112e+00 1.30 -1.606881535e+00 -6.342917130e+00 -8.961628413e+00 1.32 -1.849103201e+00 -6.359259353e+00 -8.790930380e+00 1.34 -2.062614111e+00 -6.354750556e+00 -8.613123833e+00 1.36 -2.249704662e+00 -6.331629727e+00 -8.429444433e+00 1.38 -2.412506676e+00 -6.291952807e+00 -8.241016629e+00 1.40 -2.553003600e+00 -6.237606048e+00 -8.048861989e+00 1.42 -2.673040083e+00 -6.170318458e+00 -7.853906958e+00 1.44 -2.774330953e+00 -6.091673389e+00 -7.656990083e+00 1.46 -2.858469653e+00 -6.003119325e+00 -7.458868742e+00 1.48 -2.926936143e+00 -5.905979924e+00 -7.260225402e+00 1.50 -2.981104321e+00 -5.801463367e+00 -7.061673440e+00 1.52 -3.022248977e+00 -5.690671048e+00 -6.863762562e+00 1.54 -3.051552317e+00 -5.574605664e+00 -6.666983832e+00 1.56 -3.070110081e+00 -5.454178740e+00 -6.471774361e+00 1.58 -3.078937272e+00 -5.330217614e+00 -6.278521644e+00 1.60 -3.078973536e+00 -5.203471944e+00 -6.087567607e+00 1.62 -3.071088196e+00 -5.074619740e+00 -5.899212350e+00 1.64 -3.056084969e+00 -4.944272980e+00 -5.713717626e+00 1.66 -3.034706392e+00 -4.812982813e+00 -5.531310075e+00 1.68 -3.007637960e+00 -4.681244399e+00 -5.352184207e+00 1.70 -2.975512004e+00 -4.549501397e+00 -5.176505182e+00 1.72 -2.938911327e+00 -4.418150126e+00 -5.004411378e+00 1.74 -2.898372599e+00 -4.287543431e+00 -4.836016769e+00 1.76 -2.854389540e+00 -4.157994258e+00 -4.671413129e+00 1.78 -2.807415901e+00 -4.029778976e+00 -4.510672067e+00 1.80 -2.757868247e+00 -3.903140450e+00 -4.353846911e+00 1.82 -2.689470098e+00 -3.755032370e+00 -4.175113965e+00 1.84 -2.587634262e+00 -3.565960105e+00 -3.952915160e+00 1.86 -2.455890487e+00 -3.342041808e+00 -3.694234000e+00 1.88 -2.298454346e+00 -3.089974782e+00 -3.406583282e+00 1.90 -2.120065457e+00 -2.816807649e+00 -3.097762814e+00 1.92 -1.925819124e+00 -2.529718595e+00 -2.775626851e+00 1.94 -1.720997224e+00 -2.235805835e+00 -2.447867100e+00 1.96 -1.510903718e+00 -1.941895552e+00 -2.121816242e+00 1.98 -1.300709597e+00 -1.654371642e+00 -1.804275922e+00 2.00 -1.095311443e+00 -1.379030561e+00 -1.501372165e+00 2.02 -8.992069879e-01 -1.120963562e+00 -1.218440140e+00 2.04 -7.163903340e-01 -8.844676287e-01 -9.599392384e-01 2.06 -5.502686382e-01 -6.729854338e-01 -7.293984665e-01 2.08 -4.036013053e-01 -4.890737914e-01 -5.293913208e-01 2.10 -2.784619533e-01 -3.343992743e-01 -3.615385452e-01 2.12 -1.762227115e-01 -2.097589886e-01 -2.265365121e-01 2.14 -9.755976967e-02 -1.151239309e-01 -1.242084398e-01 2.16 -4.247853783e-02 -4.970191283e-02 -5.357524043e-02 2.18 -1.035631517e-02 -1.201672271e-02 -1.294251016e-02 2.20 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.22 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.24 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.26 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.28 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.30 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.32 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.34 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.36 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.38 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.40 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.42 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.44 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.46 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.48 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.50 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.52 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.54 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.56 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.58 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.60 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.62 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.64 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.66 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.68 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.70 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.72 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.74 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.76 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.78 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.80 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.82 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.84 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.86 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.88 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.90 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.92 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.94 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.96 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.98 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.00 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.02 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.04 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.06 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.08 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.10 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.12 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.14 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.16 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.18 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.20 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.22 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.24 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.26 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.28 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.30 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.32 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.34 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.36 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.38 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.40 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.42 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.44 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.46 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.48 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.50 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.52 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.54 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.56 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.58 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.60 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.62 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.64 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.66 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.68 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.70 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.72 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.74 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.76 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.78 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.80 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.82 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.84 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.86 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.88 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.90 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.92 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.94 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.96 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.98 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.00 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.02 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.04 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.06 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.08 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.10 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.12 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.14 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.16 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.18 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.20 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.22 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.24 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.26 0.000000000e+00 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