# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2017--Zhou-X-W-Jones-R-E-Chu-K--In-Ga-N # implementation = 2017--Zhou-X-W--In-Ga-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 Ga Ga Ga In Ga N In In In N N N 0.02 7.513333080e+02 1.029359090e+03 1.445993250e+00 3.438134250e+02 2.560969410e+00 2.640110660e+03 0.04 7.513333080e+02 1.029359090e+03 1.445993250e+00 3.438134250e+02 2.560969410e+00 2.640110660e+03 0.06 7.513333080e+02 1.029359090e+03 1.445993250e+00 3.438134250e+02 2.560969410e+00 2.640110660e+03 0.08 7.513333080e+02 1.029359090e+03 1.445993250e+00 3.438134250e+02 2.560969410e+00 2.640110660e+03 0.10 7.510177124e+02 1.027427084e+03 1.445224670e+00 3.434838740e+02 2.558062005e+00 2.636322160e+03 0.12 7.142181442e+02 9.782870757e+02 1.367451964e+00 3.299414043e+02 2.437247802e+00 2.502080522e+03 0.14 6.789175571e+02 9.297310913e+02 1.291096604e+00 3.166196678e+02 2.317045942e+00 2.371213962e+03 0.16 6.453432627e+02 8.835675790e+02 1.216875239e+00 3.038265697e+02 2.200276640e+00 2.247140524e+03 0.18 6.134112615e+02 8.396790384e+02 1.144737140e+00 2.915413112e+02 2.086854745e+00 2.129508872e+03 0.20 5.830416332e+02 7.979537348e+02 1.074632679e+00 2.797439054e+02 1.976697110e+00 2.017985793e+03 0.22 5.541583362e+02 7.582854085e+02 1.006513371e+00 2.684151526e+02 1.869722527e+00 1.912255308e+03 0.24 5.266890208e+02 7.205730151e+02 9.403317847e-01 2.575366042e+02 1.765851692e+00 1.812017722e+03 0.26 5.005648500e+02 6.847204635e+02 8.760415892e-01 2.470905322e+02 1.665007181e+00 1.716988823e+03 0.28 4.757203296e+02 6.506363765e+02 8.135974846e-01 2.370599071e+02 1.567113386e+00 1.626899094e+03 0.30 4.520931448e+02 6.182338592e+02 7.529551967e-01 2.274283629e+02 1.472096462e+00 1.541492917e+03 0.32 4.296240065e+02 5.874302792e+02 6.940714594e-01 2.181801790e+02 1.379884317e+00 1.460527880e+03 0.34 4.082565076e+02 5.581470556e+02 6.369039918e-01 2.093002490e+02 1.290406569e+00 1.383774080e+03 0.36 3.879369775e+02 5.303094632e+02 5.814114817e-01 2.007740576e+02 1.203594471e+00 1.311013522e+03 0.38 3.686143525e+02 5.038464448e+02 5.275535677e-01 1.925876623e+02 1.119380916e+00 1.242039446e+03 0.40 3.502400519e+02 4.786904248e+02 4.752908229e-01 1.847276638e+02 1.037700380e+00 1.176655760e+03 0.42 3.327678529e+02 4.547771481e+02 4.245847375e-01 1.771811908e+02 9.584888792e-01 1.114676527e+03 0.44 3.161537781e+02 4.320455082e+02 3.753977053e-01 1.699358742e+02 8.816839533e-01 1.055925405e+03 0.46 3.003559878e+02 4.104373971e+02 3.276930096e-01 1.629798330e+02 8.072246186e-01 1.000235162e+03 0.48 2.853346747e+02 3.898975612e+02 2.814348101e-01 1.563016505e+02 7.350513412e-01 9.474472173e+02 0.50 2.710519669e+02 3.703734550e+02 2.365881288e-01 1.498903581e+02 6.651059967e-01 8.974111711e+02 0.52 2.574718315e+02 3.518151142e+02 1.931188422e-01 1.437354184e+02 5.973318470e-01 8.499844025e+02 0.54 2.445599871e+02 3.341750229e+02 1.509936674e-01 1.378267069e+02 5.316735057e-01 8.050316598e+02 0.56 2.322838204e+02 3.174080009e+02 1.101801561e-01 1.321544978e+02 4.680769094e-01 7.624246806e+02 0.58 2.206123006e+02 3.014710831e+02 7.064668411e-02 1.267094442e+02 4.064892870e-01 7.220418353e+02 0.60 2.095159082e+02 2.863234153e+02 3.236244423e-02 1.214825696e+02 3.468591347e-01 6.837677785e+02 0.62 1.989665577e+02 2.719261476e+02 -4.702559328e-03 1.164652475e+02 2.891361884e-01 6.474931297e+02 0.64 1.889375278e+02 2.582423368e+02 -4.057751651e-02 1.116491908e+02 2.332713954e-01 6.131141628e+02 0.66 1.794034003e+02 2.452368548e+02 -7.529081616e-02 1.070264397e+02 1.792168944e-01 5.805325150e+02 0.68 1.703399909e+02 2.328762957e+02 -1.088700491e-01 1.025893434e+02 1.269259869e-01 5.496549091e+02 0.70 1.617242903e+02 2.211288967e+02 -1.413420100e-01 9.833055546e+01 7.635311704e-02 5.203928929e+02 0.72 1.535344115e+02 2.099644533e+02 -1.727327016e-01 9.424301585e+01 2.745385032e-02 4.926625873e+02 0.74 1.457495305e+02 1.993542436e+02 -2.030673324e-01 9.031994266e+01 -1.981514817e-02 4.663844547e+02 0.76 1.383498381e+02 1.892709565e+02 -2.323703166e-01 8.655482060e+01 -6.549613234e-02 4.414830688e+02 0.78 1.313164861e+02 1.796886250e+02 -2.606652781e-01 8.294139032e+01 -1.096302927e-01 4.178869068e+02 0.80 1.246315471e+02 1.705825530e+02 -2.879750437e-01 7.947363871e+01 -1.522577740e-01 3.955281472e+02 0.82 1.182779643e+02 1.619292597e+02 -3.143216446e-01 7.614578906e+01 -1.934176886e-01 3.743424767e+02 0.84 1.122395122e+02 1.537064190e+02 -3.397263130e-01 7.295229200e+01 -2.331481341e-01 3.542689105e+02 0.86 1.065007542e+02 1.458928007e+02 -3.642094819e-01 6.988781626e+01 -2.714862018e-01 3.352496204e+02 0.88 1.010470067e+02 1.384682160e+02 -3.877907804e-01 6.694724045e+01 -3.084679902e-01 3.172297730e+02 0.90 9.586430074e+01 1.314134711e+02 -4.104890326e-01 6.412564474e+01 -3.441286136e-01 3.001573711e+02 0.92 9.093934721e+01 1.247103131e+02 -4.323222554e-01 6.141830271e+01 -3.785022129e-01 2.839831111e+02 0.94 8.625950514e+01 1.183413879e+02 -4.533076570e-01 5.882067428e+01 -4.116219574e-01 2.686602425e+02 0.96 8.181274928e+01 1.122901927e+02 -4.734616362e-01 5.632839794e+01 -4.435200529e-01 2.541444357e+02 0.98 7.758764023e+01 1.065410375e+02 -4.927997821e-01 5.393728417e+01 -4.742277479e-01 2.403936575e+02 1.00 7.357329638e+01 1.010790018e+02 -5.113368761e-01 5.164330808e+01 -5.037753279e-01 2.273680517e+02 1.02 6.975936648e+01 9.588990141e+01 -5.290868926e-01 4.944260363e+01 -5.321921236e-01 2.150298273e+02 1.04 6.613600399e+01 9.096024706e+01 -5.460630046e-01 4.733145714e+01 -5.595065052e-01 2.033431510e+02 1.06 6.269384254e+01 8.627721401e+01 -5.622775891e-01 4.530630105e+01 -5.857458826e-01 1.922740487e+02 1.08 5.942397267e+01 8.182860809e+01 -5.777422349e-01 4.336370867e+01 -6.109366986e-01 1.817903041e+02 1.10 5.631791946e+01 7.760283492e+01 -5.924677518e-01 4.150038835e+01 -6.351044277e-01 1.718613733e+02 1.12 5.336762149e+01 7.358887059e+01 -6.064641881e-01 3.971317817e+01 -6.582735675e-01 1.624582958e+02 1.14 5.056541085e+01 6.977623356e+01 -6.197408373e-01 3.799904097e+01 -6.804676317e-01 1.535536128e+02 1.16 4.790399383e+01 6.615495792e+01 -6.323062650e-01 3.635505955e+01 -7.017091424e-01 1.451212893e+02 1.18 4.537643288e+01 6.271556834e+01 -6.441683271e-01 3.477843157e+01 -7.220196221e-01 1.371366408e+02 1.20 4.297612928e+01 5.944905585e+01 -6.553341968e-01 3.326646559e+01 -7.414195860e-01 1.295762657e+02 1.22 4.069680645e+01 5.634685489e+01 -6.658103899e-01 3.181657631e+01 -7.599285312e-01 1.224179732e+02 1.24 3.853249458e+01 5.340082177e+01 -6.756028008e-01 3.042628041e+01 -7.775649301e-01 1.156407279e+02 1.26 3.647751555e+01 5.060321372e+01 -6.847167377e-01 2.909319285e+01 -7.943462205e-01 1.092245844e+02 1.28 3.452646873e+01 4.794666927e+01 -6.931569648e-01 2.781502274e+01 -8.102888012e-01 1.031506338e+02 1.30 3.267421762e+01 4.542418960e+01 -7.009277418e-01 2.658956973e+01 -8.254080242e-01 9.740094808e+01 1.32 3.091587676e+01 4.302912057e+01 -7.080328761e-01 2.541472059e+01 -8.397181911e-01 9.195853278e+01 1.34 2.924679972e+01 4.075513600e+01 -7.144757775e-01 2.428844547e+01 -8.532325542e-01 8.680727495e+01 1.36 2.766256752e+01 3.859622155e+01 -7.202595074e-01 2.320879479e+01 -8.659633127e-01 8.193189930e+01 1.38 2.615897718e+01 3.654665908e+01 -7.253868430e-01 2.217389635e+01 -8.779216230e-01 7.731792474e+01 1.40 2.473203165e+01 3.460101265e+01 -7.298603402e-01 2.118195191e+01 -8.891175993e-01 7.295162313e+01 1.42 2.337792976e+01 3.275411406e+01 -7.336824002e-01 2.023123421e+01 -8.995603321e-01 6.881998030e+01 1.44 2.209305618e+01 3.100105010e+01 -7.368553384e-01 1.932008483e+01 -9.092578993e-01 6.491065916e+01 1.46 2.087397295e+01 2.933715002e+01 -7.393814577e-01 1.844691067e+01 -9.182173911e-01 6.121196468e+01 1.48 1.971741048e+01 2.775797332e+01 -7.412631215e-01 1.761018191e+01 -9.264449349e-01 5.771281054e+01 1.50 1.862025958e+01 2.625929867e+01 -7.425028304e-01 1.680842934e+01 -9.339457282e-01 5.440268740e+01 1.52 1.757956362e+01 2.483711320e+01 -7.431033023e-01 1.604024210e+01 -9.407240797e-01 5.127163366e+01 1.54 1.659251074e+01 2.348760211e+01 -7.430675463e-01 1.530426516e+01 -9.467834482e-01 4.831020630e+01 1.56 1.565642725e+01 2.220713881e+01 -7.423989464e-01 1.459919737e+01 -9.521265057e-01 4.550945459e+01 1.58 1.476877082e+01 2.099227603e+01 -7.411013369e-01 1.392378898e+01 -9.567551847e-01 4.286089440e+01 1.60 1.392712387e+01 1.983973662e+01 -7.391790787e-01 1.327684035e+01 -9.606707548e-01 4.035648385e+01 1.62 1.312918753e+01 1.874640543e+01 -7.366371370e-01 1.265719893e+01 -9.638738904e-01 3.798860066e+01 1.64 1.237277610e+01 1.770932139e+01 -7.334811559e-01 1.206375836e+01 -9.663647541e-01 3.575002012e+01 1.66 1.165581105e+01 1.672566976e+01 -7.297175231e-01 1.149545614e+01 -9.681430876e-01 3.363389493e+01 1.68 1.097631640e+01 1.579277477e+01 -7.253534431e-01 1.095127190e+01 -9.692082990e-01 3.163373504e+01 1.70 1.033241325e+01 1.490809339e+01 -7.203969923e-01 1.043022600e+01 -9.695595749e-01 2.974338952e+01 1.72 9.722315243e+00 1.406920819e+01 -7.148571822e-01 9.931377872e+00 -9.691959812e-01 2.795702874e+01 1.74 9.144323946e+00 1.327382129e+01 -7.087440063e-01 9.453824175e+00 -9.681165777e-01 2.626912797e+01 1.76 8.596824674e+00 1.251974886e+01 -7.020684864e-01 8.996697695e+00 -9.663205412e-01 2.467445138e+01 1.78 8.078282306e+00 1.180491502e+01 -6.948427092e-01 8.559165729e+00 -9.638072816e-01 2.316803700e+01 1.80 7.587237448e+00 1.112734669e+01 -6.870798584e-01 8.140428788e+00 -9.605765742e-01 2.174518254e+01 1.82 7.122302713e+00 1.048516867e+01 -6.787942349e-01 7.739719256e+00 -9.566286859e-01 2.040143201e+01 1.84 6.682159209e+00 9.876598722e+00 -6.700012724e-01 7.356300142e+00 -9.519645019e-01 1.913256272e+01 1.86 6.265553185e+00 9.299942941e+00 -6.607175408e-01 6.989463905e+00 -9.465856621e-01 1.793457363e+01 1.88 5.871292860e+00 8.753591473e+00 -6.509607454e-01 6.638531235e+00 -9.404946835e-01 1.680367295e+01 1.90 5.498245380e+00 8.236014323e+00 -6.407497098e-01 6.302849970e+00 -9.336950915e-01 1.573626834e+01 1.92 5.145333930e+00 7.745757461e+00 -6.301043559e-01 5.981794034e+00 -9.261915409e-01 1.472895572e+01 1.94 4.811535022e+00 7.281439074e+00 -6.190456736e-01 5.674762373e+00 -9.179899333e-01 1.377850980e+01 1.96 4.495875851e+00 6.841745999e+00 -6.075956777e-01 5.381178018e+00 -9.090975282e-01 1.288187473e+01 1.98 4.197431824e+00 6.425430327e+00 -5.957773586e-01 5.100487079e+00 -8.995230464e-01 1.203615540e+01 2.00 3.915324219e+00 6.031306202e+00 -5.836146238e-01 4.832157854e+00 -8.892767664e-01 1.123860898e+01 2.02 3.648717907e+00 5.658246767e+00 -5.711322336e-01 4.575679970e+00 -8.783706042e-01 1.048663687e+01 2.04 3.396819239e+00 5.305181233e+00 -5.583557204e-01 4.330563518e+00 -8.668181886e-01 9.777777406e+00 2.06 3.158874006e+00 4.971092131e+00 -5.453113135e-01 4.096338245e+00 -8.546349184e-01 9.109698642e+00 2.08 2.934165505e+00 4.655012663e+00 -5.320258433e-01 3.872552788e+00 -8.418380069e-01 8.480191543e+00 2.10 2.722012702e+00 4.356024228e+00 -5.185266510e-01 3.658773908e+00 -8.284465151e-01 7.887163650e+00 2.12 2.521768467e+00 4.073254016e+00 -5.048414844e-01 3.454585809e+00 -8.144813628e-01 7.328632955e+00 2.14 2.332817932e+00 3.805872768e+00 -4.909983967e-01 3.259589380e+00 -7.999653267e-01 6.802722163e+00 2.16 2.154576906e+00 3.553092599e+00 -4.770256322e-01 3.073401623e+00 -7.849230246e-01 6.307653250e+00 2.18 1.986490351e+00 3.314165001e+00 -4.629515192e-01 2.895654932e+00 -7.693808789e-01 5.841742222e+00 2.20 1.828030957e+00 3.088378839e+00 -4.488043534e-01 2.725996545e+00 -7.533670609e-01 5.403394267e+00 2.22 1.678697791e+00 2.875058542e+00 -4.346122867e-01 2.564087896e+00 -7.369114241e-01 4.991099094e+00 2.24 1.538014974e+00 2.673562346e+00 -4.204032061e-01 2.409604130e+00 -7.200454155e-01 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