# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2009--Do-E-C-Shin-Y-H-Lee-B-J--Ga-In-N # implementation = 2009--Do-E-C--Ga-In-N--LAMMPS--ipr1 # composition = Ga3N # NOTE: These values are for static, unrelaxed structures and use the ideal # b/a and c/a ratios for the crystal structure, not the potential-specific # values. # Calculations from the NIST Interatomic Potential Repository Project: # http://www.ctcms.nist.gov/potentials/ # Table generated 2022-05-24 r A15--Cr3Si D0_3--BiF3 L1_2--AuCu3 0.50 nan nan nan 0.52 nan nan nan 0.54 nan nan nan 0.56 nan nan nan 0.58 nan nan nan 0.60 nan nan nan 0.62 nan nan nan 0.64 nan nan nan 0.66 nan nan nan 0.68 nan nan nan 0.70 nan nan nan 0.72 nan nan nan 0.74 nan nan nan 0.76 nan nan nan 0.78 6.323200130e+02 nan nan 0.80 5.838793532e+02 nan nan 0.82 5.388738428e+02 nan nan 0.84 4.970997701e+02 4.682219704e+02 nan 0.86 4.583621660e+02 4.358299658e+02 6.861958812e+02 0.88 4.224738307e+02 4.054754716e+02 6.370494934e+02 0.90 3.892548194e+02 3.770488512e+02 5.912358297e+02 0.92 3.585322614e+02 3.504464899e+02 5.485514683e+02 0.94 3.301403930e+02 3.255697434e+02 5.088046718e+02 0.96 3.039207042e+02 3.023241816e+02 4.718140878e+02 0.98 2.797221198e+02 2.806190778e+02 4.374077650e+02 1.00 2.574011607e+02 2.603670965e+02 4.054224355e+02 1.02 2.368220505e+02 2.414841284e+02 3.757030024e+02 1.04 2.178567480e+02 2.238892284e+02 3.481021779e+02 1.06 2.003849028e+02 2.075046183e+02 3.224802235e+02 1.08 1.842937344e+02 1.922557227e+02 2.987047491e+02 1.10 1.694778451e+02 1.780712160e+02 2.766505429e+02 1.12 1.558389774e+02 1.648830628e+02 2.561994059e+02 1.14 1.432857278e+02 1.526265425e+02 2.372399793e+02 1.16 1.317332292e+02 1.412402506e+02 2.196675542e+02 1.18 1.211028126e+02 1.306660770e+02 2.033838622e+02 1.20 1.113216572e+02 1.208491588e+02 1.882968448e+02 1.22 1.023224373e+02 1.117378126e+02 1.743204049e+02 1.24 9.404297120e+01 1.032834461e+02 1.613741435e+02 1.26 8.642587815e+01 9.544045567e+01 1.493830867e+02 1.28 7.941824644e+01 8.816611022e+01 1.382774051e+02 1.30 7.297131493e+01 8.142042733e+01 1.279921321e+02 1.32 6.704017023e+01 7.516604308e+01 1.184668826e+02 1.34 6.158346032e+01 6.936807870e+01 1.096455768e+02 1.36 5.656312512e+01 6.399400650e+01 1.014761701e+02 1.38 5.194414408e+01 5.901351638e+01 9.391039245e+01 1.40 4.769430054e+01 5.439838513e+01 8.690349758e+01 1.42 4.378396241e+01 5.012234885e+01 8.041402363e+01 1.44 4.018587849e+01 4.616098000e+01 7.440356589e+01 1.46 3.687498971e+01 4.249156934e+01 6.883656173e+01 1.48 3.382825449e+01 3.909301324e+01 6.368008799e+01 1.50 3.102448741e+01 3.594570668e+01 5.890367071e+01 1.52 2.844421026e+01 3.303144187e+01 5.447910686e+01 1.54 2.606951476e+01 3.033331272e+01 5.038029788e+01 1.56 2.388393604e+01 2.783562485e+01 4.658309422e+01 1.58 2.187233618e+01 2.552381125e+01 4.306515093e+01 1.60 2.002079701e+01 2.338435308e+01 3.980579298e+01 1.62 1.831652150e+01 2.140470579e+01 3.678589067e+01 1.64 1.674774311e+01 1.957322996e+01 3.398774362e+01 1.66 1.530364238e+01 1.787912688e+01 3.139497358e+01 1.68 1.397427034e+01 1.631237845e+01 2.899242491e+01 1.70 1.275047808e+01 1.486369127e+01 2.676607265e+01 1.72 1.162385202e+01 1.352444457e+01 2.470293730e+01 1.74 1.058665448e+01 1.228664180e+01 2.279100607e+01 1.76 9.631769006e+00 1.114286568e+01 2.101916013e+01 1.78 8.752650218e+00 1.008623634e+01 1.937710719e+01 1.80 7.943277663e+00 9.110372590e+00 1.785531940e+01 1.82 7.198113455e+00 8.209355781e+00 1.644497575e+01 1.84 6.512063349e+00 7.377696425e+00 1.513790903e+01 1.86 5.880440967e+00 6.610303106e+00 1.392655667e+01 1.88 5.298934937e+00 5.902453691e+00 1.280391541e+01 1.90 4.763578700e+00 5.249768589e+00 1.176349939e+01 1.92 4.270722752e+00 4.648185960e+00 1.079930140e+01 1.94 3.817009154e+00 4.093938715e+00 9.905757116e+00 1.96 3.399348094e+00 3.583533177e+00 9.077712006e+00 1.98 3.014896353e+00 3.113729300e+00 8.310390775e+00 2.00 2.661037510e+00 2.681522306e+00 7.599369095e+00 2.02 2.335363752e+00 2.284125676e+00 6.940547514e+00 2.04 2.035659150e+00 1.918955347e+00 6.330127291e+00 2.06 1.759884287e+00 1.583615089e+00 5.764588092e+00 2.08 1.506162131e+00 1.275882908e+00 5.240667336e+00 2.10 1.272765040e+00 9.936984650e-01 4.755341120e+00 2.12 1.058102825e+00 7.351513874e-01 4.305806561e+00 2.14 8.607117632e-01 4.984704373e-01 3.889465471e+00 2.16 6.792445105e-01 2.820134645e-01 3.503909254e+00 2.18 5.124608126e-01 8.425808256e-02 3.146904928e+00 2.20 3.592189731e-01 -9.620697181e-02 2.816382203e+00 2.22 2.184680041e-01 -2.606898623e-01 2.510421510e+00 2.24 8.924040949e-02 -4.104030865e-01 2.227242932e+00 2.26 -2.935445213e-02 -5.464703800e-01 1.965195954e+00 2.28 -1.381364701e-01 -6.699331133e-01 1.722749977e+00 2.30 -2.378603944e-01 -7.817562315e-01 1.498485534e+00 2.32 -3.292209970e-01 -8.828337607e-01 1.291086158e+00 2.34 -4.128578184e-01 -9.739939180e-01 1.099330856e+00 2.36 -4.893595321e-01 -1.056003851e+00 9.220871296e-01 2.38 -5.592679591e-01 -1.129574037e+00 7.583045251e-01 2.40 -6.230817586e-01 -1.195362358e+00 6.070086450e-01 2.42 -6.812598224e-01 -1.253977891e+00 4.672956118e-01 2.44 -7.342243953e-01 -1.305984412e+00 3.383269324e-01 2.46 -7.823639448e-01 -1.351903659e+00 2.193247446e-01 2.48 -8.260357986e-01 -1.392218349e+00 1.095674090e-01 2.50 -8.655685698e-01 -1.427374984e+00 8.385427088e-03 2.52 -9.012643851e-01 -1.457786445e+00 -8.484234334e-02 2.54 -9.334009328e-01 -1.483834412e+00 -1.706921945e-01 2.56 -9.622333448e-01 -1.505871592e+00 -2.496988194e-01 2.58 -9.879959247e-01 -1.524223799e+00 -3.223583245e-01 2.60 -1.010903735e+00 -1.539191875e+00 -3.891310224e-01 2.62 -1.031154054e+00 -1.551053472e+00 -4.504440219e-01 2.64 -1.048927712e+00 -1.560064712e+00 -5.066936274e-01 2.66 -1.064390321e+00 -1.566461713e+00 -5.582475656e-01 2.68 -1.077693393e+00 -1.570462014e+00 -6.054470491e-01 2.70 -1.088975378e+00 -1.572265887e+00 -6.486086902e-01 2.72 -1.098362601e+00 -1.572057565e+00 -6.880262757e-01 2.74 -1.105970127e+00 -1.570006364e+00 -7.239724132e-01 2.76 -1.111902556e+00 -1.566267730e+00 -7.567000579e-01 2.78 -1.116254737e+00 -1.560984214e+00 -7.864439284e-01 2.80 -1.119112434e+00 -1.554286358e+00 -8.134218206e-01 2.82 -1.120552927e+00 -1.546293532e+00 -8.378358259e-01 2.84 -1.120645560e+00 -1.537114698e+00 -8.598734622e-01 2.86 -1.119452247e+00 -1.526849113e+00 -8.797087223e-01 2.88 -1.117027933e+00 -1.515586993e+00 -8.975030468e-01 2.90 -1.113421015e+00 -1.503410108e+00 -9.134062276e-01 2.92 -1.108673730e+00 -1.490392346e+00 -9.275572450e-01 2.94 -1.102822524e+00 -1.476600225e+00 -9.400850454e-01 2.96 -1.095898384e+00 -1.462093371e+00 -9.511092629e-01 2.98 -1.087927166e+00 -1.446924956e+00 -9.607408883e-01 3.00 -1.078929908e+00 -1.431142105e+00 -9.690828909e-01 3.02 -1.068923141e+00 -1.414786275e+00 -9.762307948e-01 3.04 -1.057919212e+00 -1.397893604e+00 -9.822732146e-01 3.06 -1.045926613e+00 -1.380495241e+00 -9.872923514e-01 3.08 -1.032950353e+00 -1.362617655e+00 -9.913644549e-01 3.10 -1.018992358e+00 -1.344282929e+00 -9.945602506e-01 3.12 -1.004051938e+00 -1.325509044e+00 -9.969453377e-01 3.14 -9.881263286e-01 -1.306310157e+00 -9.985805578e-01 3.16 -9.712113202e-01 -1.286696879e+00 -9.995223371e-01 3.18 -9.533020140e-01 -1.266676556e+00 -9.998230047e-01 3.20 -9.331736401e-01 -1.246253570e+00 -9.995310874e-01 3.22 -8.835886035e-01 -1.225429654e+00 -9.986915840e-01 3.24 -7.314504410e-01 -1.204204240e+00 -9.973462194e-01 3.26 -4.596208132e-01 -1.182574847e+00 -9.955336810e-01 3.28 -4.137088328e-01 -1.160537521e+00 -9.932898382e-01 3.30 -4.082774180e-01 -1.138087340e+00 -9.906479454e-01 3.32 -4.029021599e-01 -1.115218994e+00 -9.876388318e-01 3.34 -3.975844562e-01 -1.091927460e+00 -9.842910765e-01 3.36 -3.923254670e-01 -1.068208778e+00 -9.806311713e-01 3.38 -3.871261379e-01 -1.044060765e+00 -9.766836728e-01 3.40 -3.819872219e-01 -1.018275398e+00 -9.724713422e-01 3.42 -3.769092984e-01 -9.789016388e-01 -9.680152761e-01 3.44 -3.718927907e-01 -8.998882169e-01 -9.633350273e-01 3.46 -3.669379820e-01 -7.893227184e-01 -9.584487179e-01 3.48 -3.620450295e-01 -7.550655170e-01 -9.533731432e-01 3.50 -3.574962401e-01 -7.263710053e-01 -9.481238685e-01 3.52 -3.668878838e-01 -6.979012340e-01 -9.427153200e-01 3.54 -4.391897145e-01 -6.697864759e-01 -9.371608671e-01 3.56 -5.925031340e-01 -6.421689371e-01 -9.314729010e-01 3.58 -6.338516993e-01 -6.151998364e-01 -9.256629062e-01 3.60 -6.207012238e-01 -5.890354888e-01 -9.197415274e-01 3.62 -6.078039451e-01 -5.638324765e-01 -9.137186317e-01 3.64 -5.951588278e-01 -5.397420954e-01 -9.076033657e-01 3.66 -5.827644993e-01 -5.169043719e-01 -9.014042094e-01 3.68 -5.706192785e-01 -4.954420374e-01 -8.951290257e-01 3.70 -5.587212032e-01 -4.754549078e-01 -8.887851062e-01 3.72 -5.470680549e-01 -4.570151328e-01 -8.823792137e-01 3.74 -5.356573838e-01 -4.401637399e-01 -8.759176223e-01 3.76 -5.244865308e-01 -4.249088054e-01 -8.694061536e-01 3.78 -5.135526490e-01 -4.112254459e-01 -8.628502110e-01 3.80 -5.028527237e-01 -3.990576539e-01 -8.562548112e-01 3.82 -4.923835908e-01 -3.883218308e-01 -8.496246134e-01 3.84 -4.821419548e-01 -3.789117096e-01 -8.429639464e-01 3.86 -4.721244050e-01 -3.707042463e-01 -8.362768338e-01 3.88 -4.623274306e-01 -3.635659874e-01 -8.295670172e-01 3.90 -4.527474354e-01 -3.573594132e-01 -8.228379778e-01 3.92 -4.423048127e-01 -3.515281401e-01 -8.153085385e-01 3.94 -4.173636744e-01 -3.401738274e-01 -7.956791376e-01 3.96 -3.431547537e-01 -3.033387588e-01 -7.206829988e-01 3.98 -1.805409843e-01 -1.917720334e-01 -4.678891206e-01 4.00 -9.953158297e-24 -7.855500074e-23 -2.021833330e-22 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 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