# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2006--Murdick-D-A-Zhou-X-W-Wadley-H-N-G-et-al--Ga-As # implementation = 2006--Murdick-D-A--Ga-As--LAMMPS--ipr1 # composition = Ga # 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 A1--Cu--fcc A15--beta-W A2--W--bcc A3'--alpha-La--d A3--Mg--hcp A4--C--dc A5--beta-Sn A6--In--bct A7--alpha-As Ah--alpha-Po--sc 2.00 8.532302049e+00 1.446939028e+00 6.513157275e+00 8.531954530e+00 8.531577221e+00 7.048157634e-01 2.611612227e+00 6.857292360e+00 5.526321637e-02 2.808474821e+00 2.02 7.643476971e+00 1.065196855e+00 5.821247445e+00 7.659961297e+00 7.676302637e+00 3.737091432e-01 2.165280394e+00 6.088580071e+00 -2.004703960e-01 2.373295723e+00 2.04 6.818648765e+00 7.165528405e-01 5.162605397e+00 6.848364318e+00 6.877865669e+00 5.539437024e-02 1.744949768e+00 5.388833777e+00 -4.385980646e-01 1.966076170e+00 2.06 6.059481416e+00 3.998288983e-01 4.537566493e+00 6.098574246e+00 6.137424968e+00 -2.475062662e-01 1.350010351e+00 4.758236356e+00 -6.598369532e-01 1.585596920e+00 2.08 5.367306066e+00 1.064011860e-01 3.946450318e+00 5.411725107e+00 5.455910065e+00 -5.324493052e-01 9.798644014e-01 4.184923301e+00 -8.652785205e-01 1.230645042e+00 2.10 4.743212282e+00 -1.665863499e-01 3.389508751e+00 4.788746368e+00 4.834076591e+00 -7.973441919e-01 6.336856651e-01 3.666014189e+00 -1.055674227e+00 9.000273219e-01 2.12 4.188221501e+00 -4.198569273e-01 2.866886778e+00 4.230504461e+00 4.272625063e+00 -1.040781075e+00 3.106630130e-01 3.200802907e+00 -1.231184289e+00 5.925940599e-01 2.14 3.701846315e+00 -6.541311048e-01 2.378593298e+00 3.736474975e+00 3.770984248e+00 -1.261978414e+00 1.004207832e-02 2.766298677e+00 -1.391898656e+00 3.067809212e-01 2.16 3.252545632e+00 -8.716627509e-01 1.924490895e+00 3.278951514e+00 3.305270530e+00 -1.460445280e+00 -2.688665283e-01 2.353168168e+00 -1.537893406e+00 3.873076820e-02 2.18 2.824193102e+00 -1.073895848e+00 1.504310146e+00 2.843782660e+00 2.863306652e+00 -1.635558526e+00 -5.266759988e-01 1.960878302e+00 -1.669284496e+00 -2.144436893e-01 2.20 2.416275299e+00 -1.261447884e+00 1.117683063e+00 2.430475101e+00 2.444623394e+00 -1.786314747e+00 -7.639109252e-01 1.588920689e+00 -1.786270082e+00 -4.530576609e-01 2.22 2.028303027e+00 -1.434920810e+00 7.641959000e-01 2.038564241e+00 2.048782761e+00 -1.911364891e+00 -9.815258708e-01 1.236802638e+00 -1.889158213e+00 -6.776619576e-01 2.24 1.659809571e+00 -1.594902108e+00 4.434639300e-01 1.667615479e+00 1.675383903e+00 -2.009216993e+00 -1.179402453e+00 9.040444674e-01 -1.978373833e+00 -8.888598501e-01 2.26 1.310350087e+00 -1.741963250e+00 1.552642461e-01 1.317232215e+00 1.324078386e+00 -2.078401332e+00 -1.357525350e+00 5.901743196e-01 -2.054380798e+00 -1.087082012e+00 2.28 9.794963281e-01 -1.876662124e+00 -1.048806500e-01 9.866257723e-01 9.937178528e-01 -2.124417895e+00 -1.519581579e+00 2.947225861e-01 -2.118297873e+00 -1.272567781e+00 2.30 6.668308845e-01 -1.999541479e+00 -3.490772845e-01 6.742685086e-01 6.816674048e-01 -2.165177448e+00 -1.668005448e+00 1.721514207e-02 -2.172212699e+00 -1.445364301e+00 2.32 3.719400180e-01 -2.111130483e+00 -5.786053634e-01 3.796675829e-01 3.873552459e-01 -2.201942953e+00 -1.803222148e+00 -2.428342852e-01 -2.217226003e+00 -1.605345108e+00 2.34 9.440550272e-02 -2.211943697e+00 -7.939910463e-01 1.023958217e-01 1.103451057e-01 -2.234857465e+00 -1.925694141e+00 -4.859282993e-01 -2.254250395e+00 -1.752254233e+00 2.36 -1.662007643e-01 -2.302483104e+00 -9.957464450e-01 -1.579831125e-01 -1.498074417e-01 -2.264060067e+00 -2.035938641e+00 -7.125907286e-01 -2.284250670e+00 -1.885772348e+00 2.38 -4.103311137e-01 -2.383235662e+00 -1.184373978e+00 -4.019282713e-01 -3.935679109e-01 -2.289687956e+00 -2.134540206e+00 -9.233697040e-01 -2.308116223e+00 -2.005606998e+00 2.40 -6.384612347e-01 -2.454675628e+00 -1.360362273e+00 -6.299205969e-01 -6.214229548e-01 -2.311874234e+00 -2.222149943e+00 -1.118836551e+00 -2.326559265e+00 -2.111588883e+00 2.42 -8.511030066e-01 -2.517263756e+00 -1.524189386e+00 -8.424750791e-01 -8.338903158e-01 -2.330750204e+00 -2.298415273e+00 -1.299584862e+00 -2.340077887e+00 -2.203769369e+00 2.44 -1.048802667e+00 -2.571448446e+00 -1.676322848e+00 -1.040139195e+00 -1.031518697e+00 -2.346444296e+00 -2.363198900e+00 -1.466223838e+00 -2.348970029e+00 -2.282493446e+00 2.46 -1.232141047e+00 -2.616864139e+00 -1.817217722e+00 -1.223491980e+00 -1.214885778e+00 -2.359081512e+00 -2.417495765e+00 -1.619361705e+00 -2.350864253e+00 -2.348437203e+00 2.48 -1.401731378e+00 -2.649739196e+00 -1.947318761e+00 -1.393143430e+00 -1.384597650e+00 -2.368784853e+00 -2.462235880e+00 -1.759830381e+00 -2.344095651e+00 -2.402602416e+00 2.50 -1.558212948e+00 -2.670193778e+00 -2.067060449e+00 -1.549726799e+00 -1.541282098e+00 -2.375674587e+00 -2.498252815e+00 -1.888818502e+00 -2.329808134e+00 -2.446263585e+00 2.52 -1.702241178e+00 -2.679007371e+00 -2.176866075e+00 -1.693890074e+00 -1.685579699e+00 -2.379868269e+00 -2.526190293e+00 -2.006970200e+00 -2.308835662e+00 -2.480881858e+00 2.54 -1.834477149e+00 -2.676959011e+00 -2.277148616e+00 -1.826285830e+00 -1.818134417e+00 -2.381481151e+00 -2.546891337e+00 -2.114872185e+00 -2.281646657e+00 -2.508001375e+00 2.56 -1.955575083e+00 -2.664834695e+00 -2.368310873e+00 -1.947559297e+00 -1.939582523e+00 -2.380625826e+00 -2.561100788e+00 -2.213107842e+00 -2.248745142e+00 -2.529147463e+00 2.58 -2.066169917e+00 -2.643435770e+00 -2.450745563e+00 -2.058336789e+00 -2.050541760e+00 -2.377412557e+00 -2.569338324e+00 -2.302243251e+00 -2.210711527e+00 -2.545741764e+00 2.60 -2.166863821e+00 -2.613588011e+00 -2.524820685e+00 -2.159213145e+00 -2.151599668e+00 -2.371949480e+00 -2.571982949e+00 -2.382822403e+00 -2.168278609e+00 -2.559039908e+00 2.62 -2.258226224e+00 -2.576150842e+00 -2.589044626e+00 -2.250752869e+00 -2.243315847e+00 -2.364341780e+00 -2.569407660e+00 -2.455357082e+00 -2.122474853e+00 -2.570051203e+00 2.64 -2.341348833e+00 -2.532026917e+00 -2.642605036e+00 -2.334048708e+00 -2.326784074e+00 -2.354692662e+00 -2.561984441e+00 -2.520427276e+00 -2.074555669e+00 -2.578211658e+00 2.66 -2.416883346e+00 -2.482170737e+00 -2.686018471e+00 -2.409753723e+00 -2.402658762e+00 -2.343102788e+00 -2.550089884e+00 -2.578434382e+00 -2.025402900e+00 -2.583104343e+00 2.68 -2.485135073e+00 -2.427685316e+00 -2.719785082e+00 -2.478173235e+00 -2.471245244e+00 -2.329670872e+00 -2.534110877e+00 -2.629682053e+00 -1.975814764e+00 -2.584879179e+00 2.70 -2.546401858e+00 -2.367506089e+00 -2.744387046e+00 -2.539605106e+00 -2.532841398e+00 -2.314492963e+00 -2.514449347e+00 -2.674468312e+00 -1.926575872e+00 -2.583682198e+00 2.72 -2.600974157e+00 -2.299130524e+00 -2.760286617e+00 -2.594339805e+00 -2.587737709e+00 -2.297662489e+00 -2.491526077e+00 -2.713082040e+00 -1.878439347e+00 -2.579655599e+00 2.74 -2.649138197e+00 -2.223937083e+00 -2.767928078e+00 -2.642663575e+00 -2.636220432e+00 -2.279271894e+00 -2.465782866e+00 -2.745807145e+00 -1.832105024e+00 -2.572939840e+00 2.76 -2.691170441e+00 -2.143375823e+00 -2.767733713e+00 -2.684852896e+00 -2.678566065e+00 -2.259409707e+00 -2.437677861e+00 -2.772918979e+00 -1.788189740e+00 -2.563669915e+00 2.78 -2.727343446e+00 -2.058861262e+00 -2.760110795e+00 -2.721180337e+00 -2.715047192e+00 -2.238163597e+00 -2.407684652e+00 -2.794686701e+00 -1.747198510e+00 -2.551979254e+00 2.80 -2.757921375e+00 -1.971736086e+00 -2.745451300e+00 -2.751910080e+00 -2.745928010e+00 -2.215618042e+00 -2.376313326e+00 -2.811371957e+00 -1.709490991e+00 -2.537996741e+00 2.82 -2.783163028e+00 -1.883228102e+00 -2.724140647e+00 -2.777300940e+00 -2.771467353e+00 -2.191855850e+00 -2.343971130e+00 -2.823230064e+00 -1.675253577e+00 -2.521848684e+00 2.84 -2.803320341e+00 -1.794401351e+00 -2.696565413e+00 -2.797604871e+00 -2.791917187e+00 -2.166957412e+00 -2.310758076e+00 -2.830509132e+00 -1.644476984e+00 -2.503657843e+00 2.86 -2.818638807e+00 -1.706108409e+00 -2.663124380e+00 -2.813067380e+00 -2.807523041e+00 -2.141000901e+00 -2.275607520e+00 -2.833450505e+00 -1.616946235e+00 -2.483543694e+00 2.88 -2.829357888e+00 -1.618950971e+00 -2.624242757e+00 -2.823927949e+00 -2.818524410e+00 -2.114062422e+00 -2.238851263e+00 -2.832288999e+00 -1.592246086e+00 -2.461622645e+00 2.90 -2.835710374e+00 -1.533259037e+00 -2.580386103e+00 -2.830419386e+00 -2.825154121e+00 -2.086215770e+00 -2.200960015e+00 -2.827252653e+00 -1.569783796e+00 -2.438007692e+00 2.92 -2.837923139e+00 -1.449096873e+00 -2.532076075e+00 -2.832768580e+00 -2.827639082e+00 -2.057532699e+00 -2.162389914e+00 -2.817848663e+00 -1.548830199e+00 -2.412808812e+00 2.94 -2.836216635e+00 -1.366301487e+00 -2.479902667e+00 -2.831196004e+00 -2.826199783e+00 -2.028082732e+00 -2.123517056e+00 -2.799750262e+00 -1.528576789e+00 -2.386132688e+00 2.96 -2.830805119e+00 -1.284553821e+00 -2.424533480e+00 -2.825915932e+00 -2.821050516e+00 -1.997933240e+00 -2.084688312e+00 -2.772659034e+00 -1.508206937e+00 -2.358082830e+00 2.98 -2.821896866e+00 -1.203477421e+00 -2.366715720e+00 -2.817136660e+00 -2.812399597e+00 -1.967149554e+00 -2.044860110e+00 -2.737127091e+00 -1.486978909e+00 -2.328759715e+00 3.00 -2.809695475e+00 -1.122757624e+00 -2.307270741e+00 -2.805061803e+00 -2.800450659e+00 -1.935795718e+00 -2.002889037e+00 -2.693695825e+00 -1.464308598e+00 -2.298261723e+00 3.02 -2.789936137e+00 -1.041749299e+00 -2.243931287e+00 -2.785431860e+00 -2.780949481e+00 -1.901305630e+00 -1.956846414e+00 -2.641379717e+00 -1.438210511e+00 -2.263433144e+00 3.04 -2.758710531e+00 -9.605401305e-01 -2.174732794e+00 -2.754343337e+00 -2.749997376e+00 -1.861335363e+00 -1.904996312e+00 -2.579351198e+00 -1.407860414e+00 -2.221388911e+00 3.06 -2.716735971e+00 -8.805356416e-01 -2.100964468e+00 -2.712512869e+00 -2.708310298e+00 -1.816270950e+00 -1.847847722e+00 -2.508375461e+00 -1.373670667e+00 -2.172619048e+00 3.08 -2.664731279e+00 -8.031126217e-01 -2.023870451e+00 -2.660658593e+00 -2.656605706e+00 -1.766499284e+00 -1.785912997e+00 -2.429218983e+00 -1.335933295e+00 -2.117614655e+00 3.10 -2.603415440e+00 -7.297739008e-01 -1.944628543e+00 -2.599498811e+00 -2.595601223e+00 -1.712407333e+00 -1.719707640e+00 -2.342648512e+00 -1.294940378e+00 -2.056866928e+00 3.12 -2.533507272e+00 -6.620855920e-01 -1.864334822e+00 -2.529751658e+00 -2.526014302e+00 -1.654382007e+00 -1.649750940e+00 -2.249432299e+00 -1.250983953e+00 -1.990866980e+00 3.14 -2.455725655e+00 -6.015400470e-01 -1.783998172e+00 -2.452135332e+00 -2.448562463e+00 -1.592810231e+00 -1.576566486e+00 -2.150339421e+00 -1.204356069e+00 -1.920105949e+00 3.16 -2.370789368e+00 -5.493274449e-01 -1.704547777e+00 -2.367367927e+00 -2.363963121e+00 -1.528078879e+00 -1.500682703e+00 -2.046140814e+00 -1.155348736e+00 -1.845074907e+00 3.18 -2.279417426e+00 -5.060255534e-01 -1.626857341e+00 -2.276167778e+00 -2.272933928e+00 -1.460574945e+00 -1.422633722e+00 -1.937609494e+00 -1.104254055e+00 -1.766265077e+00 3.20 -2.182328554e+00 -4.712677907e-01 -1.551778632e+00 -2.179252924e+00 -2.176192246e+00 -1.390685264e+00 -1.342959355e+00 -1.825521268e+00 -1.051364005e+00 -1.684167485e+00 3.22 -2.080241611e+00 -4.435223634e-01 -1.478046317e+00 -2.077341542e+00 -2.074455572e+00 -1.318796756e+00 -1.262205406e+00 -1.710655780e+00 -9.969706338e-01 -1.599273255e+00 3.24 -1.973875541e+00 -4.202019973e-01 -1.401586000e+00 -1.971151893e+00 -1.968441487e+00 -1.245296363e+00 -1.180923103e+00 -1.593797228e+00 -9.413660022e-01 -1.512073550e+00 3.26 -1.863948997e+00 -3.983490831e-01 -1.322746432e+00 -1.861401948e+00 -1.858867281e+00 -1.170570900e+00 -1.099666991e+00 -1.475736117e+00 -8.848420797e-01 -1.423059359e+00 3.28 -1.751181018e+00 -3.757069696e-01 -1.242028452e+00 -1.748810062e+00 -1.746450632e+00 -1.095007342e+00 -1.018991734e+00 -1.357271335e+00 -8.276909541e-01 -1.332721885e+00 3.30 -1.636290221e+00 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-4.879637975e-01 -7.904034245e-01 3.42 -9.426167321e-01 -1.963309626e-01 -6.664582504e-01 -9.414068962e-01 -9.402029416e-01 -5.750876980e-01 -5.115768901e-01 -5.874886087e-01 -4.345975920e-01 -7.045499546e-01 3.44 -8.329899467e-01 -1.726531499e-01 -5.887341231e-01 -8.319275754e-01 -8.308703685e-01 -5.067436117e-01 -4.508470015e-01 -4.968447692e-01 -3.829398698e-01 -6.213001858e-01 3.46 -7.269888029e-01 -1.499586086e-01 -5.136360171e-01 -7.260672474e-01 -7.251501715e-01 -4.410416804e-01 -3.929683230e-01 -4.139706338e-01 -3.332824833e-01 -5.411444005e-01 3.48 -6.253311249e-01 -1.283757606e-01 -4.416638677e-01 -6.245430553e-01 -6.237588162e-01 -3.783681275e-01 -3.376298867e-01 -3.398609058e-01 -2.859172962e-01 -4.645726115e-01 3.50 -5.287341303e-01 -1.080292422e-01 -3.733171879e-01 -5.280715368e-01 -5.274121635e-01 -3.191088839e-01 -2.848425420e-01 -2.752943304e-01 -2.411361413e-01 -3.920742637e-01 3.52 -4.379140305e-01 -8.904008613e-02 -3.090948286e-01 -4.373682253e-01 -4.368250721e-01 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