# 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 = As # 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 1.541900204e+01 5.482161700e+00 1.244073852e+01 1.543369994e+01 1.544830443e+01 6.439038660e-01 5.565303224e+00 1.331328786e+01 6.553499688e-01 5.173826666e+00 2.02 1.432808718e+01 4.857949748e+00 1.146806700e+01 1.434223471e+01 1.435629125e+01 3.331578356e-01 4.905063325e+00 1.231581502e+01 2.850120938e-01 4.532409302e+00 2.04 1.329577030e+01 4.271141152e+00 1.054679973e+01 1.330889754e+01 1.332194214e+01 3.891703513e-02 4.286478008e+00 1.137172247e+01 -6.257018862e-02 3.931982348e+00 2.06 1.231878715e+01 3.720216122e+00 9.674753882e+00 1.233054627e+01 1.234223355e+01 -2.306452642e-01 3.707581735e+00 1.047810838e+01 -3.914240499e-01 3.370090688e+00 2.08 1.139387002e+01 3.203460353e+00 8.849824675e+00 1.140404480e+01 1.141415961e+01 -4.758918609e-01 3.166421390e+00 9.632497429e+00 -6.963873603e-01 2.844292055e+00 2.10 1.051918843e+01 2.719484401e+00 8.069974408e+00 1.052752526e+01 1.053581240e+01 -6.976860399e-01 2.661084125e+00 8.829863360e+00 -9.781180168e-01 2.352680237e+00 2.12 9.686545016e+00 2.266417356e+00 7.333219748e+00 9.693557380e+00 9.700528722e+00 -8.972738689e-01 2.189717739e+00 8.069010948e+00 -1.237190109e+00 1.891518710e+00 2.14 8.896793697e+00 1.843232776e+00 6.637620785e+00 8.902684201e+00 8.908539805e+00 -1.076264253e+00 1.750535060e+00 7.347861248e+00 -1.474143647e+00 1.459851998e+00 2.16 8.147092584e+00 1.448530098e+00 5.981269347e+00 8.152228827e+00 8.157333649e+00 -1.236562044e+00 1.341821382e+00 6.665103901e+00 -1.689539358e+00 1.054459451e+00 2.18 7.435975947e+00 1.081071728e+00 5.362278538e+00 7.440665652e+00 7.445326293e+00 -1.380258631e+00 9.619402965e-01 6.019256551e+00 -1.884007964e+00 6.739694138e-01 2.20 6.761999587e+00 7.396495158e-01 4.778770010e+00 6.766491370e+00 6.770954960e+00 -1.509495250e+00 6.093379776e-01 5.408868828e+00 -2.058287212e+00 3.171020413e-01 2.22 6.123750383e+00 4.230873428e-01 4.228861428e+00 6.128230681e+00 6.132683314e+00 -1.626300899e+00 2.827300014e-01 4.832527646e+00 -2.213233323e+00 -1.729474799e-02 2.24 5.519846240e+00 1.302392009e-01 3.710631920e+00 5.524434425e+00 5.528994365e+00 -1.732452224e+00 -1.982418196e-02 4.288855530e+00 -2.349808481e+00 -3.302110315e-01 2.26 4.948939128e+00 -1.400097906e-01 3.221978043e+00 4.953657630e+00 4.958347563e+00 -1.829937828e+00 -2.990871055e-01 3.776514664e+00 -2.468904373e+00 -6.224453930e-01 2.28 4.409718556e+00 -3.887427456e-01 2.761565437e+00 4.414560573e+00 4.419373324e+00 -1.919512202e+00 -5.561983760e-01 3.294205774e+00 -2.571280640e+00 -8.945864121e-01 2.30 3.900911027e+00 -6.170137126e-01 2.328323797e+00 3.905864687e+00 3.910788929e+00 -2.001469171e+00 -7.920759798e-01 2.840667441e+00 -2.657948753e+00 -1.147012456e+00 2.32 3.421279672e+00 -8.258448982e-01 1.921207422e+00 3.426329416e+00 3.431349210e+00 -2.076096931e+00 -1.007637094e+00 2.414676107e+00 -2.730144890e+00 -1.379912439e+00 2.34 2.969623752e+00 -1.016227995e+00 1.539192594e+00 2.974749648e+00 2.979845700e+00 -2.143679167e+00 -1.203826606e+00 2.015040738e+00 -2.789253560e+00 -1.593332492e+00 2.36 2.544780880e+00 -1.189124724e+00 1.181282098e+00 2.549960382e+00 2.555109814e+00 -2.204492886e+00 -1.381636370e+00 1.640605779e+00 -2.836718077e+00 -1.787245295e+00 2.38 2.145619001e+00 -1.345466379e+00 8.464991197e-01 2.150827415e+00 2.156005698e+00 -2.258811297e+00 -1.542121374e+00 1.290242419e+00 -2.873962471e+00 -1.961647967e+00 2.40 1.771040760e+00 -1.486153921e+00 5.338920902e-01 1.776251928e+00 1.781433400e+00 -2.306901697e+00 -1.686399698e+00 9.628473082e-01 -2.902326535e+00 -2.116664536e+00 2.42 1.419977750e+00 -1.612058733e+00 2.425318428e-01 1.425166043e+00 1.430324786e+00 -2.349026130e+00 -1.815387944e+00 6.573379514e-01 -2.923018410e+00 -2.252649042e+00 2.44 1.091389343e+00 -1.724022163e+00 -2.848760275e-02 1.096530133e+00 1.101641659e+00 -2.385441815e+00 -1.930093094e+00 3.726496102e-01 -2.937020453e+00 -2.370267419e+00 2.46 7.842623247e-01 -1.822380300e+00 -2.800481835e-01 7.893332470e-01 7.943754952e-01 -2.416400096e+00 -2.031816144e+00 1.078049022e-01 -2.943917212e+00 -2.470538168e+00 2.48 4.976041510e-01 -1.905444415e+00 -5.130105172e-01 5.025862548e-01 5.075403405e-01 -2.442148088e+00 -2.121834773e+00 -1.381126090e-01 -2.942985551e+00 -2.554829077e+00 2.50 2.304461350e-01 -1.973869667e+00 -7.282107022e-01 2.353245208e-01 2.401755480e-01 -2.462926324e+00 -2.201347586e+00 -3.660033634e-01 -2.934702591e+00 -2.624796860e+00 2.52 -1.816678303e-02 -2.028710031e+00 -9.264638289e-01 -1.340258285e-02 -8.665071399e-03 -2.478971545e+00 -2.271088736e+00 -5.767517773e-01 -2.919480212e+00 -2.682292116e+00 2.54 -2.491751305e-01 -2.071016795e+00 -1.108561161e+00 -2.445311458e-01 -2.399131675e-01 -2.490514289e+00 -2.331595242e+00 -7.712285049e-01 -2.897718227e+00 -2.729227364e+00 2.56 -4.635138016e-01 -2.101837245e+00 -1.275271070e+00 -4.589921031e-01 -4.544957254e-01 -2.497779675e+00 -2.383428514e+00 -9.502931034e-01 -2.869814345e+00 -2.767434178e+00 2.58 -6.621168166e-01 -2.122212961e+00 -1.427340461e+00 -6.577165731e-01 -6.533409707e-01 -2.500988030e+00 -2.427113691e+00 -1.114797734e+00 -2.836181705e+00 -2.798503204e+00 2.60 -8.458026443e-01 -2.133175704e+00 -1.565488598e+00 -8.415217577e-01 -8.372648439e-01 -2.500354485e+00 -2.463136281e+00 -1.265495234e+00 -2.797274179e+00 -2.823417834e+00 2.62 -1.015136681e+00 -2.135743964e+00 -1.689666282e+00 -1.010972933e+00 -1.006832503e+00 -2.496087816e+00 -2.491941344e+00 -1.402960298e+00 -2.753623174e+00 -2.842393714e+00 2.64 -1.170755596e+00 -2.130918900e+00 -1.800141611e+00 -1.166706781e+00 -1.162680640e+00 -2.488392655e+00 -2.513938233e+00 -1.527822026e+00 -2.705888531e+00 -2.855749133e+00 2.66 -1.313275065e+00 -2.119676385e+00 -1.897742520e+00 -1.309338989e+00 -1.305424955e+00 -2.477467707e+00 -2.529502479e+00 -1.640690205e+00 -2.654914647e+00 -2.863784869e+00 2.68 -1.443294687e+00 -2.102959901e+00 -1.983292973e+00 -1.439469170e+00 -1.435665076e+00 -2.463505781e+00 -2.538983608e+00 -1.742157470e+00 -2.601784787e+00 -2.866793072e+00 2.70 -1.561400802e+00 -2.079925739e+00 -2.057608606e+00 -1.557683678e+00 -1.553987369e+00 -2.446695526e+00 -2.542714908e+00 -1.832800651e+00 -2.547848250e+00 -2.865059590e+00 2.72 -1.668162215e+00 -2.048417713e+00 -2.121484021e+00 -1.664551331e+00 -1.660960667e+00 -2.427218874e+00 -2.541020978e+00 -1.913179378e+00 -2.494307727e+00 -2.858860498e+00 2.74 -1.764133994e+00 -2.009480783e+00 -2.175688183e+00 -1.760627212e+00 -1.757140068e+00 -2.405253315e+00 -2.534229376e+00 -1.983837265e+00 -2.441658220e+00 -2.848465209e+00 2.76 -1.849855162e+00 -1.964168895e+00 -2.220954301e+00 -1.846450360e+00 -1.843064625e+00 -2.380970495e+00 -2.522677781e+00 -2.045301012e+00 -2.390211994e+00 -2.834134538e+00 2.78 -1.925849560e+00 -1.913463028e+00 -2.257971973e+00 -1.922544632e+00 -1.919258212e+00 -2.354536713e+00 -2.506719863e+00 -2.098081144e+00 -2.340174832e+00 -2.816121406e+00 2.80 -1.992626102e+00 -1.858257528e+00 -2.287380992e+00 -1.989418959e+00 -1.986229775e+00 -2.326113126e+00 -2.486728163e+00 -2.142672200e+00 -2.291643551e+00 -2.794671116e+00 2.82 -2.050678221e+00 -1.799348977e+00 -2.309764212e+00 -2.047566789e+00 -2.044472781e+00 -2.295855316e+00 -2.463091723e+00 -2.179551946e+00 -2.244607176e+00 -2.770020748e+00 2.84 -2.100484436e+00 -1.737429908e+00 -2.325645266e+00 -2.097466660e+00 -2.094465784e+00 -2.263913703e+00 -2.435880977e+00 -2.209182577e+00 -2.198954181e+00 -2.742399746e+00 2.86 -2.142507887e+00 -1.673089672e+00 -2.335486789e+00 -2.139581731e+00 -2.136671962e+00 -2.230433187e+00 -2.404065672e+00 -2.232009956e+00 -2.154485069e+00 -2.712029414e+00 2.88 -2.177197389e+00 -1.606825835e+00 -2.339693814e+00 -2.174360835e+00 -2.171540165e+00 -2.195553759e+00 -2.368007552e+00 -2.248464501e+00 -2.110932668e+00 -2.679123768e+00 2.90 -2.204986378e+00 -1.539067546e+00 -2.338619306e+00 -2.202237425e+00 -2.199503867e+00 -2.159409912e+00 -2.328250009e+00 -2.258960680e+00 -2.067988958e+00 -2.643888729e+00 2.92 -2.226293842e+00 -1.470212027e+00 -2.332575067e+00 -2.223630513e+00 -2.220982098e+00 -2.122131107e+00 -2.285323267e+00 -2.263334616e+00 -2.025341175e+00 -2.606522762e+00 2.94 -2.241524126e+00 -1.400673297e+00 -2.321844888e+00 -2.238944460e+00 -2.236379240e+00 -2.083841640e+00 -2.239537867e+00 -2.258397508e+00 -1.982716716e+00 -2.567216691e+00 2.96 -2.251066719e+00 -1.330940231e+00 -2.306700234e+00 -2.248568779e+00 -2.246084826e+00 -2.044660518e+00 -2.191087394e+00 -2.244158349e+00 -1.939845791e+00 -2.526153550e+00 2.98 -2.255297653e+00 -1.261638428e+00 -2.287417056e+00 -2.252879520e+00 -2.250474928e+00 -2.004702191e+00 -2.140314313e+00 -2.221322470e+00 -1.896966812e+00 -2.483509587e+00 3.00 -2.254578056e+00 -1.193393644e+00 -2.264288791e+00 -2.252237835e+00 -2.249910720e+00 -1.964075742e+00 -2.087558387e+00 -2.190609246e+00 -1.853808314e+00 -2.439453146e+00 3.02 -2.245413604e+00 -1.125772107e+00 -2.234171794e+00 -2.243152201e+00 -2.240903462e+00 -1.920164145e+00 -2.030769694e+00 -2.151155606e+00 -1.808038013e+00 -2.390665812e+00 3.04 -2.224588944e+00 -1.058536534e+00 -2.194240259e+00 -2.222409799e+00 -2.220242857e+00 -1.870582199e+00 -1.968070478e+00 -2.102157353e+00 -1.757454311e+00 -2.334118907e+00 3.06 -2.192874935e+00 -9.925257051e-01 -2.145315531e+00 -2.190781106e+00 -2.188699002e+00 -1.815784137e+00 -1.900057924e+00 -2.044433252e+00 -1.702459804e+00 -2.270411381e+00 3.08 -2.151042224e+00 -9.285597673e-01 -2.088249576e+00 -2.149036389e+00 -2.147041787e+00 -1.756224077e+00 -1.827329385e+00 -1.978802250e+00 -1.643456987e+00 -2.200142046e+00 3.10 -2.099861372e+00 -8.673994962e-01 -2.023914332e+00 -2.097945827e+00 -2.096041010e+00 -1.692356028e+00 -1.750482381e+00 -1.906083718e+00 -1.580848237e+00 -2.123909594e+00 3.12 -2.040103002e+00 -8.096824524e-01 -1.953190169e+00 -2.038279665e+00 -2.036466538e+00 -1.624634026e+00 -1.670114496e+00 -1.827097196e+00 -1.515035945e+00 -2.042312773e+00 3.14 -1.972537714e+00 -7.558367294e-01 -1.876955392e+00 -1.970808119e+00 -1.969088208e+00 -1.553512048e+00 -1.586823419e+00 -1.742662591e+00 -1.446422433e+00 -1.955950279e+00 3.16 -1.897935882e+00 -7.059876799e-01 -1.796072945e+00 -1.896301182e+00 -1.894675637e+00 -1.479443917e+00 -1.501206380e+00 -1.653599691e+00 -1.375409873e+00 -1.865420636e+00 3.18 -1.817068180e+00 -6.598900445e-01 -1.711082589e+00 -1.815529150e+00 -1.813998739e+00 -1.402883540e+00 -1.413859876e+00 -1.560728351e+00 -1.302400482e+00 -1.771322525e+00 3.20 -1.730704950e+00 -6.169272723e-01 -1.622296840e+00 -1.729261983e+00 -1.727827096e+00 -1.324284585e+00 -1.325378410e+00 -1.464868245e+00 -1.227796248e+00 -1.674254362e+00 3.22 -1.639616509e+00 -5.762082635e-01 -1.530355632e+00 -1.638269617e+00 -1.636930267e+00 -1.244100624e+00 -1.236352765e+00 -1.366838241e+00 -1.151999045e+00 -1.574814498e+00 3.24 -1.544573165e+00 -5.367598136e-01 -1.435895920e+00 -1.543321978e+00 -1.542077798e+00 -1.162785090e+00 -1.147367310e+00 -1.267456001e+00 -1.075410597e+00 -1.473601190e+00 3.26 -1.446345009e+00 -4.977300014e-01 -1.339554439e+00 -1.445188778e+00 -1.444039022e+00 -1.080791168e+00 -1.058995066e+00 -1.167537026e+00 -9.984323759e-01 -1.371212467e+00 3.28 -1.345702010e+00 -4.589762053e-01 -1.241967761e+00 -1.344639604e+00 -1.343583148e+00 -9.985717928e-01 -9.717906207e-01 -1.067893001e+00 -9.214656081e-01 -1.268246165e+00 3.30 -1.243413965e+00 -4.203391198e-01 -1.143772221e+00 -1.242443873e+00 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