# Potential energy (eV/atom) vs. nearest neighbor 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 # composition = GaN3 # 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 nan nan nan 0.80 nan nan nan 0.82 nan nan nan 0.84 nan nan nan 0.86 nan nan nan 0.88 nan nan nan 0.90 nan nan nan 0.92 nan nan nan 0.94 nan nan nan 0.96 nan nan nan 0.98 nan nan nan 1.00 nan nan nan 1.02 nan nan nan 1.04 nan nan nan 1.06 nan nan nan 1.08 nan nan nan 1.10 nan nan nan 1.12 nan nan nan 1.14 7.642084736e+02 nan nan 1.16 6.894781712e+02 nan nan 1.18 6.232276247e+02 nan nan 1.20 5.644592734e+02 nan nan 1.22 5.121614826e+02 nan nan 1.24 4.653760275e+02 7.878195611e+02 nan 1.26 4.233523445e+02 7.132174231e+02 nan 1.28 3.854876066e+02 6.461151827e+02 7.868755891e+02 1.30 3.512774629e+02 5.859947673e+02 7.183848135e+02 1.32 3.202946402e+02 5.322221285e+02 6.560525788e+02 1.34 2.921668431e+02 4.841067276e+02 5.993403867e+02 1.36 2.665803728e+02 4.410373513e+02 5.477143684e+02 1.38 2.433102180e+02 4.024833377e+02 5.006641074e+02 1.40 2.221738259e+02 3.679888515e+02 4.577484805e+02 1.42 2.029616644e+02 3.371423647e+02 4.185878509e+02 1.44 1.854858702e+02 3.095219195e+02 3.829130430e+02 1.46 1.696151378e+02 2.847167652e+02 3.505426823e+02 1.48 1.552172066e+02 2.623645886e+02 3.212429775e+02 1.50 1.421423203e+02 2.421524513e+02 2.947129945e+02 1.52 1.302533314e+02 2.238071415e+02 2.706733793e+02 1.54 1.194323982e+02 2.070911329e+02 2.488833405e+02 1.56 1.095717564e+02 1.917974810e+02 2.291167770e+02 1.58 1.005706065e+02 1.777472249e+02 2.111563249e+02 1.60 9.234256592e+01 1.647942439e+02 1.948165317e+02 1.62 8.482088713e+01 1.528243743e+02 1.799599219e+02 1.64 7.794461126e+01 1.417343837e+02 1.664614306e+02 1.66 7.164361939e+01 1.314259204e+02 1.541736570e+02 1.68 6.584335791e+01 1.218346072e+02 1.429458429e+02 1.70 6.048297163e+01 1.129317300e+02 1.326501069e+02 1.72 5.552955650e+01 1.046805939e+02 1.231817639e+02 1.74 5.096913260e+01 9.701991457e+01 1.144519850e+02 1.76 4.677898224e+01 8.988812612e+01 1.063832012e+02 1.78 4.292025803e+01 8.323848110e+01 9.890577104e+01 1.80 3.935380552e+01 7.703541625e+01 9.195415488e+01 1.82 3.605006943e+01 7.124852608e+01 8.546742812e+01 1.84 3.298702164e+01 6.585012501e+01 7.940032318e+01 1.86 3.014635557e+01 6.081440037e+01 7.373384177e+01 1.88 2.751175632e+01 5.611677816e+01 6.846245837e+01 1.90 2.506833715e+01 5.173252290e+01 6.356793694e+01 1.92 2.280242600e+01 4.763645953e+01 5.901429554e+01 1.94 2.070148589e+01 4.380591415e+01 5.476360928e+01 1.96 1.875392472e+01 4.022640522e+01 5.078668723e+01 1.98 1.694912445e+01 3.689240767e+01 4.706211054e+01 2.00 1.527728450e+01 3.379831077e+01 4.357234586e+01 2.02 1.372936698e+01 3.093073720e+01 4.030193597e+01 2.04 1.229704507e+01 2.827060011e+01 3.723672240e+01 2.06 1.097265146e+01 2.579977182e+01 3.436373327e+01 2.08 9.749123482e+00 2.350394436e+01 3.167100911e+01 2.10 8.620001533e+00 2.137176237e+01 2.914751957e+01 2.12 7.579296670e+00 1.939336859e+01 2.678307539e+01 2.14 6.621474479e+00 1.755968601e+01 2.456823787e+01 2.16 5.741350782e+00 1.586219295e+01 2.249416072e+01 2.18 4.934027963e+00 1.429279742e+01 2.055254945e+01 2.20 4.194853993e+00 1.284377786e+01 1.873520757e+01 2.22 3.519400610e+00 1.150775200e+01 1.703433769e+01 2.24 2.903442778e+00 1.027761732e+01 1.544310915e+01 2.26 2.342937504e+00 9.146557535e+00 1.395646909e+01 2.28 1.834008689e+00 8.107965833e+00 1.257103527e+01 2.30 1.372930364e+00 7.155427006e+00 1.128370361e+01 2.32 9.561408306e-01 6.282744165e+00 1.009022593e+01 2.34 5.802376787e-01 5.483885984e+00 8.985120861e+00 2.36 2.419908948e-01 4.753167850e+00 7.962636744e+00 2.38 -6.164367817e-02 4.085177332e+00 7.017568031e+00 2.40 -3.335259875e-01 3.474820478e+00 6.145371820e+00 2.42 -5.763041872e-01 2.917331532e+00 5.341981599e+00 2.44 -7.924259539e-01 2.408278903e+00 4.603556052e+00 2.46 -9.841243667e-01 1.943567330e+00 3.926377822e+00 2.48 -1.153467786e+00 1.519435779e+00 3.306810820e+00 2.50 -1.302301617e+00 1.132450109e+00 2.741288494e+00 2.52 -1.432315246e+00 7.794908947e-01 2.226312173e+00 2.54 -1.545040108e+00 4.577370246e-01 1.758454629e+00 2.56 -1.641850724e+00 1.646457615e-01 1.334389010e+00 2.58 -1.723957881e+00 -1.020694929e-01 9.508118263e-01 2.60 -1.792414713e+00 -3.444632930e-01 6.045951235e-01 2.62 -1.848155508e+00 -5.643833586e-01 2.926951319e-01 2.64 -1.892057099e+00 -7.634979741e-01 1.219243013e-02 2.66 -1.924982685e+00 -9.433201624e-01 -2.396903324e-01 2.68 -1.947795078e+00 -1.105241146e+00 -4.655918443e-01 2.70 -1.961317240e+00 -1.250531624e+00 -6.679689996e-01 2.72 -1.966321702e+00 -1.380351604e+00 -8.491099507e-01 2.74 -1.963523554e+00 -1.495737246e+00 -1.011121454e+00 2.76 -1.953590047e+00 -1.597601602e+00 -1.155927035e+00 2.78 -1.937152034e+00 -1.686760333e+00 -1.285268534e+00 2.80 -1.914811515e+00 -1.764008617e+00 -1.400710456e+00 2.82 -1.887145371e+00 -1.830128114e+00 -1.503646791e+00 2.84 -1.854707064e+00 -1.885923600e+00 -1.595309965e+00 2.86 -1.818024030e+00 -1.932189164e+00 -1.676781396e+00 2.88 -1.777613935e+00 -1.969676970e+00 -1.749003394e+00 2.90 -1.733959294e+00 -1.999081093e+00 -1.812791799e+00 2.92 -1.687527881e+00 -2.021038122e+00 -1.868849007e+00 2.94 -1.638767352e+00 -2.036135076e+00 -1.917776969e+00 2.96 -1.588105625e+00 -2.044916716e+00 -1.960089904e+00 2.98 -1.535950953e+00 -2.047889829e+00 -1.996226403e+00 3.00 -1.482691748e+00 -2.045525423e+00 -2.026560839e+00 3.02 -1.428695902e+00 -2.038260176e+00 -2.051413507e+00 3.04 -1.374310854e+00 -2.026497998e+00 -2.071061938e+00 3.06 -1.319861147e+00 -2.010611942e+00 -2.085746654e+00 3.08 -1.265648403e+00 -1.990946449e+00 -2.095676620e+00 3.10 -1.211949742e+00 -1.967819829e+00 -2.101054223e+00 3.12 -1.159016600e+00 -1.941526805e+00 -2.102048619e+00 3.14 -1.107073693e+00 -1.912341031e+00 -2.098824118e+00 3.16 -1.056318198e+00 -1.880517660e+00 -2.091536992e+00 3.18 -1.006919249e+00 -1.846295935e+00 -2.080339079e+00 3.20 -9.590178158e-01 -1.809901764e+00 -2.065381290e+00 3.22 -9.127269663e-01 -1.771550019e+00 -2.046816565e+00 3.24 -8.681325820e-01 -1.731446151e+00 -2.024801799e+00 3.26 -8.252944398e-01 -1.689783466e+00 -1.999498548e+00 3.28 -7.842477231e-01 -1.646760286e+00 -1.971072870e+00 3.30 -7.450048452e-01 -1.602552471e+00 -1.939694838e+00 3.32 -7.075575705e-01 -1.557334247e+00 -1.905538119e+00 3.34 -6.718793539e-01 -1.511272400e+00 -1.868779692e+00 3.36 -6.379278343e-01 -1.464526433e+00 -1.829599617e+00 3.38 -6.056474054e-01 -1.417248656e+00 -1.788180667e+00 3.40 -5.749718046e-01 -1.369584249e+00 -1.744707863e+00 3.42 -5.458266500e-01 -1.321671292e+00 -1.699367883e+00 3.44 -5.181318721e-01 -1.273640843e+00 -1.652348442e+00 3.46 -4.918039934e-01 -1.225617056e+00 -1.603837689e+00 3.48 -4.667582111e-01 -1.177717336e+00 -1.554023611e+00 3.50 -4.429100802e-01 -1.130052560e+00 -1.503093495e+00 3.52 -4.201779012e-01 -1.082727342e+00 -1.451233435e+00 3.54 -3.984827653e-01 -1.035840307e+00 -1.398627863e+00 3.56 -3.777506517e-01 -9.894843796e-01 -1.345459089e+00 3.58 -3.579129572e-01 -9.437470659e-01 -1.291906866e+00 3.60 -3.389070828e-01 -8.987107118e-01 -1.238147921e+00 3.62 -3.206767839e-01 -8.544527185e-01 -1.184355462e+00 3.64 -3.031723135e-01 -8.110457277e-01 -1.130698663e+00 3.66 -2.863503685e-01 -7.685577352e-01 -1.077342064e+00 3.68 -2.701738819e-01 -7.270521748e-01 -1.024444973e+00 3.70 -2.546116690e-01 -6.865875602e-01 -9.721607746e-01 3.72 -2.396379744e-01 -6.472190722e-01 -9.206362381e-01 3.74 -2.252319303e-01 -6.089957782e-01 -8.700107822e-01 3.76 -2.113769631e-01 -5.719625911e-01 -8.204157483e-01 3.78 -1.980601618e-01 -5.361595146e-01 -7.719722516e-01 3.80 -1.852716435e-01 -5.016215152e-01 -7.247966306e-01 3.82 -1.730039179e-01 -4.683783645e-01 -6.789897914e-01 3.84 -1.612512813e-01 -4.364493879e-01 -6.346440360e-01 3.86 -1.500092449e-01 -4.058648171e-01 -5.918405209e-01 3.88 -1.392740112e-01 -3.766318095e-01 -5.506489092e-01 3.90 -1.290420064e-01 -3.487582659e-01 -5.111271459e-01 3.92 -1.193094711e-01 -3.222464770e-01 -4.733213538e-01 3.94 -1.100721176e-01 -2.970931680e-01 -4.372658721e-01 3.96 -1.013139577e-01 -2.732895909e-01 -4.029834198e-01 3.98 -9.305269950e-02 -2.508216682e-01 -3.704853847e-01 4.00 -8.526772277e-02 -2.296701973e-01 -3.397722418e-01 4.02 -7.795050428e-02 -2.098111058e-01 -3.108340824e-01 4.04 -7.109117950e-02 -1.912157480e-01 -2.836512311e-01 4.06 -6.467854627e-02 -1.738512572e-01 -2.581949652e-01 4.08 -5.870010564e-02 -1.576809266e-01 -2.344282897e-01 4.10 -5.314213928e-02 -1.426646276e-01 -2.123067739e-01 4.12 -4.798981481e-02 -1.287592492e-01 -1.917794228e-01 4.14 -4.322731393e-02 -1.159191572e-01 -1.727895723e-01 4.16 -3.883797648e-02 -1.040966585e-01 -1.552757878e-01 4.18 -3.480445668e-02 -9.324247031e-02 -1.391727586e-01 4.20 -3.110888478e-02 -8.330618086e-02 -1.244121684e-01 4.22 -2.773303096e-02 -7.423669910e-02 -1.109235359e-01 4.24 -2.465846640e-02 -6.598268347e-02 -9.863500993e-02 4.26 -2.186671914e-02 -5.849294784e-02 -8.747411627e-02 4.28 -1.933942133e-02 -5.171683797e-02 -7.736829320e-02 4.30 -1.705844541e-02 -4.560457463e-02 -6.824618206e-02 4.32 -1.500602824e-02 -4.010756232e-02 -6.003708058e-02 4.34 -1.316488104e-02 -3.517865955e-02 -5.267226287e-02 4.36 -1.151624236e-02 -3.077241189e-02 -4.608516123e-02 4.38 -1.004871932e-02 -2.684524543e-02 -4.021171991e-02 4.40 -8.744163965e-03 -2.335562315e-02 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