# 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 = In3N # 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 2024-11-27 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 2.136202970e+03 nan nan 1.16 1.866352209e+03 nan nan 1.18 1.638111075e+03 nan nan 1.20 1.442484814e+03 nan nan 1.22 1.273124247e+03 nan nan 1.24 1.125562500e+03 2.224854953e+03 nan 1.26 9.963384746e+02 1.974114167e+03 nan 1.28 8.829250029e+02 1.753053245e+03 2.211786683e+03 1.30 7.834305937e+02 1.558337339e+03 1.969452929e+03 1.32 6.962560886e+02 1.386511958e+03 1.752946628e+03 1.34 6.198641247e+02 1.234121264e+03 1.562384552e+03 1.36 5.527288691e+02 1.097911017e+03 1.395442912e+03 1.38 4.934693298e+02 9.754624872e+02 1.248319008e+03 1.40 4.409641602e+02 8.664290671e+02 1.117982535e+03 1.42 3.943292399e+02 7.713331073e+02 1.001996877e+03 1.44 3.528366861e+02 6.890174877e+02 8.983910969e+02 1.46 3.158580231e+02 6.172382122e+02 8.057160730e+02 1.48 2.828457177e+02 5.541409186e+02 7.228692628e+02 1.50 2.533411530e+02 4.983920043e+02 6.488622816e+02 1.52 2.269743006e+02 4.489737378e+02 5.827072982e+02 1.54 2.034071196e+02 4.050951264e+02 5.233680697e+02 1.56 1.822247359e+02 3.661179552e+02 4.696482178e+02 1.58 1.629507590e+02 3.314797207e+02 4.203204448e+02 1.60 1.453709521e+02 3.006493330e+02 3.750121638e+02 1.62 1.297348907e+02 2.731299004e+02 3.346928611e+02 1.64 1.162681286e+02 2.484809838e+02 3.001846536e+02 1.66 1.047126872e+02 2.263287356e+02 2.708264728e+02 1.68 9.458893735e+01 2.063574128e+02 2.452804387e+02 1.70 8.555171105e+01 1.882964445e+02 2.225928781e+02 1.72 7.741082950e+01 1.719107272e+02 2.022531237e+02 1.74 7.004444595e+01 1.569969866e+02 1.839426070e+02 1.76 6.335582033e+01 1.433832244e+02 1.674258351e+02 1.78 5.724633678e+01 1.309266149e+02 1.525274095e+02 1.80 5.157899624e+01 1.195074354e+02 1.391109326e+02 1.82 4.618522354e+01 1.090248329e+02 1.270479072e+02 1.84 4.098954543e+01 9.939896079e+01 1.161971659e+02 1.86 3.613563891e+01 9.056962777e+01 1.064081689e+02 1.88 3.186761220e+01 8.247105409e+01 9.753766843e+01 1.90 2.827124737e+01 7.497775653e+01 8.946313415e+01 1.92 2.522985102e+01 6.787754229e+01 8.208418373e+01 1.94 2.258322497e+01 6.097980048e+01 7.531666842e+01 1.96 2.022867686e+01 5.433344452e+01 6.908610185e+01 1.98 1.811068530e+01 4.826404189e+01 6.332494573e+01 2.00 1.619183437e+01 4.307505333e+01 5.797524974e+01 2.02 1.444311217e+01 3.876615203e+01 5.299501327e+01 2.04 1.284311080e+01 3.510237478e+01 4.836298083e+01 2.06 1.137673911e+01 3.184730804e+01 4.407601599e+01 2.08 1.003287516e+01 2.886786734e+01 4.013738981e+01 2.10 8.802507848e+00 2.610687936e+01 3.654262899e+01 2.12 7.677725676e+00 2.353811892e+01 3.327162697e+01 2.14 6.651295764e+00 2.114715506e+01 3.029047665e+01 2.16 5.716484657e+00 1.892743545e+01 2.755804777e+01 2.18 4.866998218e+00 1.687837950e+01 2.502928411e+01 2.20 4.096931078e+00 1.500154134e+01 2.265359087e+01 2.22 3.400734496e+00 1.329562430e+01 2.037874051e+01 2.24 2.773177213e+00 1.175336655e+01 1.817314680e+01 2.26 2.209334089e+00 1.036182754e+01 1.605556506e+01 2.28 1.704545075e+00 9.105201786e+00 1.409399445e+01 2.30 1.254414484e+00 7.968073157e+00 1.235786352e+01 2.32 8.547598571e-01 6.937330182e+00 1.086650066e+01 2.34 5.016176540e-01 6.002519828e+00 9.584426232e+00 2.36 1.912199048e-01 5.155301405e+00 8.456348875e+00 2.38 -8.001886919e-02 4.388606497e+00 7.438734801e+00 2.40 -3.155123009e-01 3.696211819e+00 6.507031902e+00 2.42 -5.185089180e-01 3.072342453e+00 5.649148268e+00 2.44 -6.921019006e-01 2.511561626e+00 4.858406480e+00 2.46 -8.392244750e-01 2.008736325e+00 4.130363271e+00 2.48 -9.626566787e-01 1.559013372e+00 3.461857463e+00 2.50 -1.065011274e+00 1.157819329e+00 2.850815940e+00 2.52 -1.148782484e+00 8.008580736e-01 2.295791489e+00 2.54 -1.216261047e+00 4.841087623e-01 1.795323268e+00 2.56 -1.269592848e+00 2.038226945e-01 1.347325380e+00 2.58 -1.310759740e+00 -4.348131065e-02 9.487863984e-01 2.60 -1.341578523e+00 -2.610229812e-01 5.958826838e-01 2.62 -1.363701122e+00 -4.517683074e-01 2.843063317e-01 2.64 -1.378616302e+00 -6.184387309e-01 9.850920532e-03 2.66 -1.387652502e+00 -7.635208375e-01 -2.313703989e-01 2.68 -1.391986094e+00 -8.892827869e-01 -4.427766899e-01 2.70 -1.392643241e+00 -9.977797526e-01 -6.273376955e-01 2.72 -1.390511581e+00 -1.090872330e+00 -7.876771270e-01 2.74 -1.386346905e+00 -1.170244968e+00 -9.261666088e-01 2.76 -1.380780025e+00 -1.237410893e+00 -1.044992898e+00 2.78 -1.374322253e+00 -1.293734388e+00 -1.146194497e+00 2.80 -1.367370309e+00 -1.340443098e+00 -1.231676894e+00 2.82 -1.360212808e+00 -1.378642331e+00 -1.303218776e+00 2.84 -1.353040948e+00 -1.409328786e+00 -1.362470069e+00 2.86 -1.345964955e+00 -1.433403548e+00 -1.410952920e+00 2.88 -1.339035305e+00 -1.451683860e+00 -1.450061433e+00 2.90 -1.332265049e+00 -1.464912961e+00 -1.481062657e+00 2.92 -1.325647768e+00 -1.473767110e+00 -1.505098831e+00 2.94 -1.319171593e+00 -1.478859212e+00 -1.523190887e+00 2.96 -1.312817802e+00 -1.480738571e+00 -1.536243113e+00 2.98 -1.306562177e+00 -1.479891647e+00 -1.545048842e+00 3.00 -1.300370068e+00 -1.476737057e+00 -1.550297102e+00 3.02 -1.294194197e+00 -1.471631155e+00 -1.552579957e+00 3.04 -1.287975513e+00 -1.464875187e+00 -1.552400468e+00 3.06 -1.281646008e+00 -1.456728402e+00 -1.550179673e+00 3.08 -1.275135709e+00 -1.447423367e+00 -1.546271017e+00 3.10 -1.268375480e+00 -1.437179102e+00 -1.540959005e+00 3.12 -1.261298968e+00 -1.426208292e+00 -1.534475074e+00 3.14 -1.253847748e+00 -1.414717155e+00 -1.527003462e+00 3.16 -1.245971207e+00 -1.402899399e+00 -1.518688851e+00 3.18 -1.237626846e+00 -1.390927619e+00 -1.509643456e+00 3.20 -1.228779989e+00 -1.378945765e+00 -1.499953501e+00 3.22 -1.219403248e+00 -1.367065025e+00 -1.489684993e+00 3.24 -1.209475813e+00 -1.355363700e+00 -1.478888782e+00 3.26 -1.198982705e+00 -1.343888985e+00 -1.467604926e+00 3.28 -1.187914033e+00 -1.332667277e+00 -1.455866284e+00 3.30 -1.176264280e+00 -1.321700074e+00 -1.443701477e+00 3.32 -1.164031660e+00 -1.310975504e+00 -1.431137137e+00 3.34 -1.151217556e+00 -1.300470179e+00 -1.418199580e+00 3.36 -1.137826035e+00 -1.290152245e+00 -1.404915888e+00 3.38 -1.123863439e+00 -1.279983804e+00 -1.391314548e+00 3.40 -1.109338087e+00 -1.269922878e+00 -1.377425676e+00 3.42 -1.094259513e+00 -1.259924595e+00 -1.363279917e+00 3.44 -1.078640568e+00 -1.249944627e+00 -1.348912757e+00 3.46 -1.062493574e+00 -1.239937093e+00 -1.334356678e+00 3.48 -1.045833071e+00 -1.229858151e+00 -1.319646395e+00 3.50 -1.028675031e+00 -1.219666192e+00 -1.304816860e+00 3.52 -1.011036861e+00 -1.209322579e+00 -1.289902825e+00 3.54 -9.929374737e-01 -1.198792286e+00 -1.274938353e+00 3.56 -9.743973649e-01 -1.188043879e+00 -1.259956288e+00 3.58 -9.554386684e-01 -1.177049147e+00 -1.244987628e+00 3.60 -9.360852445e-01 -1.165787696e+00 -1.230060910e+00 3.62 -9.163627269e-01 -1.154238647e+00 -1.215201646e+00 3.64 -8.962985818e-01 -1.142386677e+00 -1.200431844e+00 3.66 -8.759208520e-01 -1.130220043e+00 -1.185769708e+00 3.68 -8.552636673e-01 -1.117730353e+00 -1.171229463e+00 3.70 -8.343581387e-01 -1.104912351e+00 -1.156821353e+00 3.72 -8.132390333e-01 -1.091763704e+00 -1.142551752e+00 3.74 -7.919427507e-01 -1.078284776e+00 -1.128423366e+00 3.76 -7.705071868e-01 -1.064478404e+00 -1.114435486e+00 3.78 -7.489715796e-01 -1.050349694e+00 -1.100583829e+00 3.80 -7.273763032e-01 -1.035905800e+00 -1.086862904e+00 3.82 -7.057626381e-01 -1.021155708e+00 -1.073262991e+00 3.84 -6.841725050e-01 -1.006110064e+00 -1.059772977e+00 3.86 -6.626481974e-01 -9.907809695e-01 -1.046379982e+00 3.88 -6.412320553e-01 -9.751818228e-01 -1.033069718e+00 3.90 -6.199661619e-01 -9.593217782e-01 -1.019826824e+00 3.92 -5.988920055e-01 -9.432282816e-01 -1.006635176e+00 3.94 -5.780501496e-01 -9.269109897e-01 -9.934782004e-01 3.96 -5.574799011e-01 -9.103870896e-01 -9.803380217e-01 3.98 -5.372189805e-01 -8.936743999e-01 -9.672005424e-01 4.00 -5.173032207e-01 -8.767912443e-01 -9.540477729e-01 4.02 -4.977544840e-01 -8.597563626e-01 -9.408638492e-01 4.04 -4.786299452e-01 -8.425887948e-01 -9.276335509e-01 4.06 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-3.941952606e-02 5.48 -8.972782572e-03 -2.397967743e-02 -3.587975231e-02 5.50 -8.152208865e-03 -2.178219123e-02 -3.260009617e-02 5.52 -7.393567237e-03 -1.975139730e-02 -2.956757680e-02 5.54 -6.693588445e-03 -1.787834509e-02 -2.676924483e-02 5.56 -6.049034989e-03 -1.615419927e-02 -2.419225154e-02 5.58 -5.455978096e-03 -1.457027552e-02 -2.182391238e-02 5.60 -4.912941240e-03 -1.311807338e-02 -1.965176496e-02 5.62 -4.415905239e-03 -1.178930586e-02 -1.766362096e-02 5.64 -3.961903043e-03 -1.057592557e-02 -1.584761217e-02 5.66 -3.548057636e-03 -9.470147573e-03 -1.419223054e-02 5.68 -3.171590572e-03 -8.464468744e-03 -1.268636229e-02 5.70 -2.829829035e-03 -7.551683646e-03 -1.131931614e-02 5.72 -2.520211575e-03 -6.724897326e-03 -1.008084630e-02 5.74 -2.240292442e-03 -5.977534683e-03 -8.961169767e-03 5.76 -1.987744710e-03 -5.303346967e-03 -7.950978841e-03 5.78 -1.760362210e-03 -4.696415335e-03 -7.041448841e-03 5.80 -1.556060390e-03 -4.151151823e-03 -6.224241561e-03 5.82 -1.372876134e-03 -3.662297724e-03 -5.491504535e-03 5.84 -1.208966753e-03 -3.224919954e-03 -4.835867013e-03 5.86 -1.062608107e-03 -2.834405234e-03 -4.250432427e-03 5.88 -9.321920497e-04 -2.486452630e-03 -3.728768199e-03 5.90 -8.162232935e-04 -2.177064621e-03 -3.264893174e-03 5.92 -7.133156715e-04 -1.902175124e-03 -2.853262686e-03 5.94 -6.221880741e-04 -1.659168197e-03 -2.488752296e-03 5.96 -5.416599696e-04 -1.444426586e-03 -2.166639879e-03 5.98 -4.706466848e-04 -1.255057826e-03 -1.882586739e-03 6.00 -4.081545044e-04 -1.088412012e-03 -1.632618017e-03