# 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 = 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 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 4.059973613e+02 nan nan 1.16 3.618881525e+02 nan nan 1.18 3.233961530e+02 nan nan 1.20 2.896193088e+02 nan nan 1.22 2.598432286e+02 nan nan 1.24 2.334918726e+02 4.203401930e+02 nan 1.26 2.100788783e+02 3.755913985e+02 nan 1.28 1.891954831e+02 3.356318739e+02 4.330220401e+02 1.30 1.705037239e+02 3.000590072e+02 3.917876779e+02 1.32 1.537271407e+02 2.685000748e+02 3.544720519e+02 1.34 1.386395622e+02 2.405904960e+02 3.207364835e+02 1.36 1.250553332e+02 2.159597915e+02 2.902219010e+02 1.38 1.128198654e+02 1.942480977e+02 2.625816335e+02 1.40 1.018015426e+02 1.751470605e+02 2.375472419e+02 1.42 9.188678692e+01 1.583825062e+02 2.149054207e+02 1.44 8.297483523e+01 1.436618008e+02 1.944677987e+02 1.46 7.497436026e+01 1.306948386e+02 1.760583704e+02 1.48 6.780030672e+01 1.192299779e+02 1.595119207e+02 1.50 6.137231795e+01 1.090536405e+02 1.446707404e+02 1.52 5.561388082e+01 9.998079457e+01 1.313822216e+02 1.54 5.045167408e+01 9.185226553e+01 1.194955806e+02 1.56 4.581444948e+01 8.453244298e+01 1.088577605e+02 1.58 4.163432104e+01 7.790674881e+01 9.931722779e+01 1.60 3.785525709e+01 7.187898117e+01 9.074924208e+01 1.62 3.443877131e+01 6.636868585e+01 8.307258704e+01 1.64 3.135146438e+01 6.130871400e+01 7.621459654e+01 1.66 2.855276886e+01 5.664325089e+01 7.007646613e+01 1.68 2.600073977e+01 5.232623704e+01 6.455174835e+01 1.70 2.366132441e+01 4.831985722e+01 5.955212004e+01 1.72 2.150817974e+01 4.459304107e+01 5.500802266e+01 1.74 1.952000875e+01 4.111999095e+01 5.086177952e+01 1.76 1.767897938e+01 3.787914009e+01 4.706386053e+01 1.78 1.596958919e+01 3.485194942e+01 4.357145246e+01 1.80 1.437746946e+01 3.202231576e+01 4.034768651e+01 1.82 1.288957074e+01 2.937591143e+01 3.736110394e+01 1.84 1.149758494e+01 2.689980399e+01 3.458517234e+01 1.86 1.020095126e+01 2.458202626e+01 3.199765395e+01 1.88 9.002557225e+00 2.241105731e+01 2.957987399e+01 1.90 7.900682804e+00 2.037465950e+01 2.731609871e+01 1.92 6.887750626e+00 1.845980259e+01 2.519311759e+01 1.94 5.955325654e+00 1.665563788e+01 2.319988287e+01 1.96 5.097207710e+00 1.495907068e+01 2.132711555e+01 1.98 4.309137563e+00 1.337537081e+01 1.956690031e+01 2.00 3.587490261e+00 1.190915730e+01 1.791223312e+01 2.02 2.928690925e+00 1.055672168e+01 1.635690340e+01 2.04 2.329125715e+00 9.308060270e+00 1.489518092e+01 2.06 1.785229742e+00 8.153477405e+00 1.352175496e+01 2.08 1.293550674e+00 7.086402155e+00 1.223169991e+01 2.10 8.508197392e-01 6.102468838e+00 1.102051246e+01 2.12 4.538919384e-01 5.198121135e+00 9.884130249e+00 2.14 9.979810170e-02 4.369962156e+00 8.818865276e+00 2.16 -2.142801340e-01 3.614562486e+00 7.821212284e+00 2.18 -4.910118744e-01 2.928446235e+00 6.887774533e+00 2.20 -7.329380124e-01 2.308083825e+00 6.014909298e+00 2.22 -9.424876151e-01 1.749920967e+00 5.199078659e+00 2.24 -1.122002881e+00 1.250362310e+00 4.437490767e+00 2.26 -1.273753271e+00 8.058074433e-01 3.728912157e+00 2.28 -1.399958570e+00 4.125923701e-01 3.073535744e+00 2.30 -1.502800132e+00 6.698232831e-02 2.471564103e+00 2.32 -1.584428362e+00 -2.347950010e-01 1.921768019e+00 2.34 -1.646964398e+00 -4.965902464e-01 1.421410056e+00 2.36 -1.692496030e+00 -7.221537110e-01 9.672125015e-01 2.38 -1.723068817e+00 -9.151780830e-01 5.561967452e-01 2.40 -1.740673349e+00 -1.079240631e+00 1.858554762e-01 2.42 -1.747229822e+00 -1.217770230e+00 -1.460371825e-01 2.44 -1.744571082e+00 -1.333998039e+00 -4.416103527e-01 2.46 -1.734415125e+00 -1.430930929e+00 -7.029750423e-01 2.48 -1.718391736e+00 -1.511315888e+00 -9.322416447e-01 2.50 -1.697956480e+00 -1.577614902e+00 -1.131516245e+00 2.52 -1.674428525e+00 -1.631989018e+00 -1.302892150e+00 2.54 -1.648965925e+00 -1.676292848e+00 -1.448448129e+00 2.56 -1.622558493e+00 -1.712079922e+00 -1.570224712e+00 2.58 -1.596024056e+00 -1.740618411e+00 -1.670310837e+00 2.60 -1.570012579e+00 -1.762915972e+00 -1.750702245e+00 2.62 -1.545006993e+00 -1.779751512e+00 -1.813402154e+00 2.64 -1.521337544e+00 -1.791714646e+00 -1.860387154e+00 2.66 -1.499194236e+00 -1.799241833e+00 -1.893593856e+00 2.68 -1.478647682e+00 -1.802659353e+00 -1.914907012e+00 2.70 -1.459664440e+00 -1.802220142e+00 -1.926128204e+00 2.72 -1.442132119e+00 -1.798137467e+00 -1.928960501e+00 2.74 -1.425881763e+00 -1.790613009e+00 -1.924988508e+00 2.76 -1.410705705e+00 -1.779858506e+00 -1.915653843e+00 2.78 -1.396378762e+00 -1.766110537e+00 -1.902244630e+00 2.80 -1.382673506e+00 -1.749638603e+00 -1.885882969e+00 2.82 -1.369373131e+00 -1.730747128e+00 -1.867518987e+00 2.84 -1.356280879e+00 -1.709772163e+00 -1.847930379e+00 2.86 -1.343226185e+00 -1.687074012e+00 -1.827727383e+00 2.88 -1.330067834e+00 -1.663026921e+00 -1.807362886e+00 2.90 -1.316694638e+00 -1.638007150e+00 -1.787146855e+00 2.92 -1.303024162e+00 -1.612380512e+00 -1.767264039e+00 2.94 -1.289000092e+00 -1.586490519e+00 -1.747793859e+00 2.96 -1.274588769e+00 -1.560647913e+00 -1.728731248e+00 2.98 -1.259775342e+00 -1.535122307e+00 -1.710007390e+00 3.00 -1.244559911e+00 -1.510136274e+00 -1.691509371e+00 3.02 -1.228953320e+00 -1.485861632e+00 -1.673096877e+00 3.04 -1.212976453e+00 -1.462421146e+00 -1.654622764e+00 3.06 -1.196653111e+00 -1.439886519e+00 -1.635937209e+00 3.08 -1.180010407e+00 -1.418285390e+00 -1.616904658e+00 3.10 -1.163079087e+00 -1.397605964e+00 -1.597409163e+00 3.12 -1.145886802e+00 -1.377803703e+00 -1.577359440e+00 3.14 -1.128461058e+00 -1.358808616e+00 -1.556691759e+00 3.16 -1.110827261e+00 -1.340531362e+00 -1.535370977e+00 3.18 -1.093008162e+00 -1.322875903e+00 -1.513390094e+00 3.20 -1.075023446e+00 -1.305736220e+00 -1.490768608e+00 3.22 -1.056889469e+00 -1.289009233e+00 -1.467550004e+00 3.24 -1.038618019e+00 -1.272596769e+00 -1.443798583e+00 3.26 -1.020220947e+00 -1.256407572e+00 -1.419595857e+00 3.28 -1.001702098e+00 -1.240365012e+00 -1.395036706e+00 3.30 -9.830636339e-01 -1.224399016e+00 -1.370225417e+00 3.32 -9.643042297e-01 -1.208453301e+00 -1.345271765e+00 3.34 -9.454192984e-01 -1.192483045e+00 -1.320287230e+00 3.36 -9.264012918e-01 -1.176454040e+00 -1.295381448e+00 3.38 -9.072401118e-01 -1.160341522e+00 -1.270659031e+00 3.40 -8.879235761e-01 -1.144128796e+00 -1.246216771e+00 3.42 -8.684380243e-01 -1.127805781e+00 -1.222141338e+00 3.44 -8.487689894e-01 -1.111367611e+00 -1.198507521e+00 3.46 -8.289019888e-01 -1.094813308e+00 -1.175376990e+00 3.48 -8.088233655e-01 -1.078144616e+00 -1.152797651e+00 3.50 -7.885212198e-01 -1.061365008e+00 -1.130802476e+00 3.52 -7.679863521e-01 -1.044478863e+00 -1.109414504e+00 3.54 -7.472132393e-01 -1.027490843e+00 -1.088639842e+00 3.56 -7.262009682e-01 -1.010405434e+00 -1.068474860e+00 3.58 -7.049541168e-01 -9.932266337e-01 -1.048905837e+00 3.60 -6.834835343e-01 -9.759577987e-01 -1.029910611e+00 3.62 -6.618070004e-01 -9.586016048e-01 -1.011460330e+00 3.64 -6.399496696e-01 -9.411600998e-01 -9.935211900e-01 3.66 -6.179443689e-01 -9.236348609e-01 -9.760561249e-01 3.68 -5.958316173e-01 -9.060272048e-01 -9.590263381e-01 3.70 -5.736594212e-01 -8.883373746e-01 -9.423926717e-01 3.72 -5.514828001e-01 -8.705696544e-01 -9.261167518e-01 3.74 -5.293630804e-01 -8.527246034e-01 -9.101618992e-01 3.76 -5.073669211e-01 -8.348055708e-01 -8.944938206e-01 3.78 -4.855651353e-01 -8.168171751e-01 -8.790805682e-01 3.80 -4.640313342e-01 -7.987656210e-01 -8.638948432e-01 3.82 -4.428404215e-01 -7.806589719e-01 -8.489107085e-01 3.84 -4.220670064e-01 -7.625022457e-01 -8.341059596e-01 3.86 -4.017837773e-01 -7.443190284e-01 -8.194612105e-01 3.88 -3.820599065e-01 -7.261176857e-01 -8.049596067e-01 3.90 -3.629595271e-01 -7.079152080e-01 -7.905864491e-01 3.92 -3.445403502e-01 -6.897307902e-01 -7.763288094e-01 3.94 -3.268524617e-01 -6.715856516e-01 -7.621751297e-01 3.96 -3.099264455e-01 -6.535027747e-01 -7.481148202e-01 3.98 -2.938182684e-01 -6.355065593e-01 -7.341379044e-01 4.00 -2.785369482e-01 -6.176224060e-01 -7.202346864e-01 4.02 -2.640948887e-01 -5.998762437e-01 -7.063954687e-01 4.04 -2.504945781e-01 -5.822940084e-01 -6.926103250e-01 4.06 -2.377289358e-01 -5.649011030e-01 -6.788689294e-01 4.08 -2.257818854e-01 -5.477218339e-01 -6.651604253e-01 4.10 -2.146291386e-01 -5.307788865e-01 -6.514733815e-01 4.12 -2.042391368e-01 -5.140928142e-01 -6.377957791e-01 4.14 -1.945741166e-01 -4.976815869e-01 -6.241150569e-01 4.16 -1.855912547e-01 -4.815602181e-01 -6.104182187e-01 4.18 -1.772438528e-01 -4.657404701e-01 -5.966919784e-01 4.20 -1.694825197e-01 -4.502306662e-01 -5.829229579e-01 4.22 -1.622563120e-01 -4.350355942e-01 -5.690979044e-01 4.24 -1.555138170e-01 -4.201565476e-01 -5.552039802e-01 4.26 -1.492041325e-01 -4.055914503e-01 -5.412290432e-01 4.28 -1.432777431e-01 -3.913351032e-01 -5.271615160e-01 4.30 -1.376872694e-01 -3.773795219e-01 -5.129927166e-01 4.32 -1.323880915e-01 -3.637143625e-01 -4.987138844e-01 4.34 -1.273388370e-01 -3.503274073e-01 -4.843190011e-01 4.36 -1.225017519e-01 -3.372051225e-01 -4.698044183e-01 4.38 -1.178429383e-01 -3.243332139e-01 -4.551691401e-01 4.40 -1.133324956e-01 -3.116972256e-01 -4.404151218e-01 4.42 -1.089445584e-01 -2.992831154e-01 -4.255475074e-01 4.44 -1.046572489e-01 -2.870713395e-01 -4.105651261e-01 4.46 -1.004525589e-01 -2.750642906e-01 -3.955010299e-01 4.48 -9.631617524e-02 -2.632444971e-01 -3.803592044e-01 4.50 -9.223725563e-02 -2.516045204e-01 -3.651588678e-01 4.52 -8.820817105e-02 -2.401394570e-01 -3.499227325e-01 4.54 -8.422422030e-02 -2.288471210e-01 -3.346768491e-01 4.56 -8.028333052e-02 -2.177281395e-01 -3.194503860e-01 4.58 -7.638574738e-02 -2.067859511e-01 -3.042753327e-01 4.60 -7.253371782e-02 -1.960267035e-01 -2.891861192e-01 4.62 -6.873117917e-02 -1.854590778e-01 -2.742191916e-01 4.64 -6.498345150e-02 -1.750940301e-01 -2.594125238e-01 4.66 -6.129693914e-02 -1.649444677e-01 -2.448050847e-01 4.68 -5.767884517e-02 -1.550248731e-01 -2.304362764e-01 4.70 -5.413690017e-02 -1.453508879e-01 -2.163453520e-01 4.72 -5.067910785e-02 -1.359388707e-01 -2.025708259e-01 4.74 -4.731350971e-02 -1.268054437e-01 -1.891498943e-01 4.76 -4.404796997e-02 -1.179670417e-01 -1.761178757e-01 4.78 -4.088998312e-02 -1.094394772e-01 -1.635076891e-01 4.80 -3.784650405e-02 -1.012375307e-01 -1.513493761e-01 4.82 -3.492380290e-02 -9.337458112e-02 -1.396696831e-01 4.84 -3.212734460e-02 -8.586227952e-02 -1.284917084e-01 4.86 -2.946169386e-02 -7.871027775e-02 -1.178346253e-01 4.88 -2.693044507e-02 -7.192601309e-02 -1.077134807e-01 4.90 -2.453617719e-02 -6.551455352e-02 -9.813907678e-02 4.92 -2.228043226e-02 -5.947850364e-02 -8.911793253e-02 4.94 -2.016308121e-02 -5.381797066e-02 -8.065232483e-02 4.96 -1.818510085e-02 -4.853058666e-02 -7.274040341e-02 4.98 -1.634409408e-02 -4.361158479e-02 -6.537637632e-02 5.00 -1.463768884e-02 -3.905392198e-02 -5.855075536e-02 5.02 -1.306266361e-02 -3.484844293e-02 -5.225065442e-02 5.04 -1.161503290e-02 -3.098407870e-02 -4.646013159e-02 5.06 -1.029014082e-02 -2.744807157e-02 -4.116056329e-02 5.08 -9.082760046e-03 -2.422621859e-02 -3.633104018e-02 5.10 -7.987194055e-03 -2.130312765e-02 -3.194877622e-02 5.12 -6.997379711e-03 -1.866247745e-02 -2.798951885e-02 5.14 -6.106988178e-03 -1.628727577e-02 -2.442795271e-02 5.16 -5.309522043e-03 -1.416010980e-02 -2.123808817e-02 5.18 -4.598406859e-03 -1.226338346e-02 -1.839362744e-02 5.20 -3.967075652e-03 -1.057953738e-02 -1.586830261e-02 5.22 -3.409045277e-03 -9.091248355e-03 -1.363618111e-02 5.24 -2.917983795e-03 -7.781290121e-03 -1.167193518e-02 5.26 -2.487768381e-03 -6.634049015e-03 -9.951073522e-03 5.28 -2.112533533e-03 -5.633422755e-03 -8.450134132e-03 5.30 -1.786709652e-03 -4.764559072e-03 -7.146838609e-03 5.32 -1.505052400e-03 -4.013473067e-03 -6.020209601e-03 5.34 -1.262663154e-03 -3.367101743e-03 -5.050652614e-03 5.36 -1.055001387e-03 -2.813337032e-03 -4.220005548e-03 5.38 -8.778897376e-04 -2.341039300e-03 -3.511558950e-03 5.40 -7.275125270e-04 -1.940033405e-03 -2.910050108e-03 5.42 -6.004087799e-04 -1.601090080e-03 -2.401635120e-03 5.44 -4.934605924e-04 -1.315894913e-03 -1.973842370e-03 5.46 -4.038777600e-04 -1.077007360e-03 -1.615511040e-03 5.48 -3.291795697e-04 -8.778121858e-04 -1.316718279e-03 5.50 -2.671744966e-04 -7.124653242e-04 -1.068697986e-03 5.52 -2.159386195e-04 -5.758363186e-04 -8.637544778e-04 5.54 -1.737933255e-04 -4.634488681e-04 -6.951733021e-04 5.56 -1.392829050e-04 -3.714210801e-04 -5.571316201e-04 5.58 -1.111524991e-04 -2.964066642e-04 -4.446099963e-04 5.60 -8.832675845e-05 -2.355380225e-04 -3.533070338e-04 5.62 -6.988953609e-05 -1.863720962e-04 -2.795581444e-04 5.64 -5.506481934e-05 -1.468395182e-04 -2.202592774e-04 5.66 -4.319903194e-05 -1.151974185e-04 -1.727961278e-04 5.68 -3.374483385e-05 -8.998622359e-05 -1.349793354e-04 5.70 -2.624641379e-05 -6.999043677e-05 -1.049856552e-04 5.72 -2.032629004e-05 -5.420344012e-05 -8.130516018e-05 5.74 -1.567357205e-05 -4.179619215e-05 -6.269428822e-05 5.76 -1.203361030e-05 -3.208962746e-05 -4.813444120e-05 5.78 -9.198955272e-06 -2.453054739e-05 -3.679582109e-05 5.80 -7.001520856e-06 -1.867072228e-05 -2.800608343e-05 5.82 -5.305842143e-06 -1.414891238e-05 -2.122336857e-05 5.84 -4.003328753e-06 -1.067554334e-05 -1.601331501e-05 5.86 -3.007393189e-06 -8.019715170e-06 -1.202957276e-05 5.88 -2.249356654e-06 -5.998284410e-06 -8.997426616e-06 5.90 -1.675031088e-06 -4.466749569e-06 -6.700124353e-06 5.92 -1.241884433e-06 -3.311691821e-06 -4.967537732e-06 5.94 -9.167072917e-07 -2.444552778e-06 -3.666829167e-06 5.96 -6.737038309e-07 -1.796543549e-06 -2.694815323e-06 5.98 -4.929396012e-07 -1.314505603e-06 -1.971758405e-06 6.00 -3.590893527e-07 -9.575716071e-07 -1.436357411e-06