# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2013--Zhou-X-W-Ward-D-K-Martin-J-E-et-al--Zn-Cd-Hg-S-Se-Te # implementation = 2013--Zhou-X-W--Zn-Cd-Hg-S-Se-Te--LAMMPS--ipr1 # composition = Zn # 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 0.50 nan nan nan nan nan nan nan nan nan nan 0.52 nan nan nan nan nan nan nan nan nan nan 0.54 nan nan nan nan nan nan nan nan nan nan 0.56 nan nan nan nan nan nan nan nan nan nan 0.58 nan nan nan nan nan nan nan nan nan nan 0.60 nan nan nan nan nan nan nan nan nan nan 0.62 nan nan nan nan nan 1.739365547e+04 nan nan nan nan 0.64 nan nan nan nan nan 1.441471315e+04 nan nan nan nan 0.66 nan nan nan nan nan 1.200487376e+04 nan nan 1.555994094e+04 nan 0.68 nan nan nan nan nan 1.004380585e+04 nan nan 1.303887191e+04 nan 0.70 nan nan nan nan nan 8.444717328e+03 nan nan 1.098682521e+04 nan 0.72 nan 1.628885567e+04 nan nan nan 7.144077914e+03 nan nan 9.302069459e+03 1.638057162e+04 0.74 nan 1.383757331e+04 nan nan nan 6.084894779e+03 1.426496065e+04 nan 7.906174253e+03 1.392750946e+04 0.76 nan 1.180176266e+04 nan nan nan 5.211920214e+03 1.216534451e+04 nan 6.739796031e+03 1.189756887e+04 0.78 nan 1.010275190e+04 nan nan nan 4.478980574e+03 1.042515707e+04 nan 5.760926087e+03 1.020391555e+04 0.80 nan 8.680364148e+03 1.462749832e+04 nan nan 3.855729091e+03 8.974015635e+03 1.538713147e+04 4.939569073e+03 8.777611852e+03 0.82 1.492315073e+04 7.484480216e+03 1.261235904e+04 1.492680766e+04 1.492667950e+04 3.323641730e+03 7.752298185e+03 1.326593549e+04 4.250527435e+03 7.568105934e+03 0.84 1.291126326e+04 6.474565664e+03 1.090438025e+04 1.292434075e+04 1.293051383e+04 2.869622300e+03 6.713543999e+03 1.147667379e+04 3.671097149e+03 6.541599936e+03 0.86 1.120946526e+04 5.618515363e+03 9.459379006e+03 1.122468134e+04 1.123350636e+04 2.483352920e+03 5.825903206e+03 9.966688335e+03 3.182134586e+03 5.672538979e+03 0.88 9.767884526e+03 4.890695484e+03 8.236383468e+03 9.777720198e+03 9.784872647e+03 2.155212727e+03 5.067331000e+03 8.688530069e+03 2.768387400e+03 4.935905966e+03 0.90 8.543640382e+03 4.270211995e+03 7.198581457e+03 8.543604263e+03 8.546281751e+03 1.875863827e+03 4.419116027e+03 7.600757267e+03 2.417182800e+03 4.307491584e+03 0.92 7.497896266e+03 3.738468701e+03 6.315362536e+03 7.488902657e+03 7.486549655e+03 1.637068965e+03 3.864009456e+03 6.668316801e+03 2.117714263e+03 3.767853799e+03 0.94 6.596362333e+03 3.280308258e+03 5.559917296e+03 6.584081719e+03 6.578102616e+03 1.432194718e+03 3.386977560e+03 5.863365896e+03 1.860910228e+03 3.303499665e+03 0.96 5.813858448e+03 2.884359260e+03 4.907857809e+03 5.804104805e+03 5.796815604e+03 1.255928404e+03 2.975452889e+03 5.165362881e+03 1.639168690e+03 2.904315648e+03 0.98 5.133101207e+03 2.541075234e+03 4.338472140e+03 5.128503674e+03 5.122133003e+03 1.103672699e+03 2.619516798e+03 4.558674666e+03 1.446370687e+03 2.561515172e+03 1.00 4.540305638e+03 2.242278070e+03 3.837306500e+03 4.540739951e+03 4.536920002e+03 9.716337849e+02 2.311798634e+03 4.030402913e+03 1.277724694e+03 2.266750952e+03 1.02 4.023579714e+03 1.981750214e+03 3.395989079e+03 4.027622047e+03 4.027222472e+03 8.570444275e+02 2.046392715e+03 3.569767206e+03 1.129518009e+03 2.012270192e+03 1.04 3.572522313e+03 1.754868678e+03 3.008723345e+03 3.578354513e+03 3.581349718e+03 7.577985384e+02 1.817561164e+03 3.167589708e+03 9.988085724e+02 1.791327403e+03 1.06 3.178045301e+03 1.557511752e+03 2.670123472e+03 3.183899026e+03 3.189317226e+03 6.720889786e+02 1.619610575e+03 2.815752605e+03 8.832944131e+02 1.598223825e+03 1.08 2.832144070e+03 1.385592516e+03 2.374686127e+03 2.836793110e+03 2.843054212e+03 5.982014696e+02 1.447329041e+03 2.507270130e+03 7.812820280e+02 1.428127292e+03 1.10 2.528016217e+03 1.235369295e+03 2.116721600e+03 2.531001644e+03 2.536547130e+03 5.343914555e+02 1.296233409e+03 2.236465468e+03 6.914262288e+02 1.277110483e+03 1.12 2.260019988e+03 1.103793057e+03 1.890830428e+03 2.261541965e+03 2.265355273e+03 4.789693927e+02 1.162618251e+03 1.998727990e+03 6.124964716e+02 1.142062225e+03 1.14 2.023729401e+03 9.884242620e+02 1.692483664e+03 2.024190630e+03 2.025867200e+03 4.304467065e+02 1.043498329e+03 1.790231360e+03 5.433330761e+02 1.020695353e+03 1.16 1.815788899e+03 8.870667773e+02 1.518120234e+03 1.815328374e+03 1.814889255e+03 3.875901515e+02 9.365541426e+02 1.607592698e+03 4.828765052e+02 9.115063779e+02 1.18 1.633188708e+03 7.975832931e+02 1.364753232e+03 1.631708217e+03 1.629464764e+03 3.493903342e+02 8.401228112e+02 1.447451542e+03 4.301488583e+02 8.134173768e+02 1.20 1.472806269e+03 7.179760011e+02 1.229780412e+03 1.470270485e+03 1.466737444e+03 3.150901155e+02 7.530821970e+02 1.306390263e+03 3.842086453e+02 7.255563809e+02 1.22 1.331430644e+03 6.465569139e+02 1.110993108e+03 1.328032618e+03 1.323832086e+03 2.842093797e+02 6.746342076e+02 1.181180948e+03 3.441281583e+02 6.472292553e+02 1.24 1.205910196e+03 5.820498396e+02 1.006367159e+03 1.202079898e+03 1.197854103e+03 2.564312541e+02 6.040983637e+02 1.069085222e+03 3.090251264e+02 5.778217852e+02 1.26 1.093407015e+03 5.236079083e+02 9.138291911e+02 1.089752093e+03 1.086087065e+03 2.314614892e+02 5.408247375e+02 9.680512446e+02 2.781331516e+02 5.166811941e+02 1.28 9.917351809e+02 4.707332335e+02 8.312845683e+02 9.888850537e+02 9.862271466e+02 2.089889261e+02 4.841828074e+02 8.766951435e+02 2.508448010e+02 4.630793320e+02 1.30 8.995141668e+02 4.230915426e+02 7.568118104e+02 8.979023368e+02 8.964924348e+02 1.886983650e+02 4.335680993e+02 7.940823759e+02 2.266873479e+02 4.162213153e+02 1.32 8.159236725e+02 3.803593362e+02 6.888798750e+02 8.156735826e+02 8.155447881e+02 1.702957755e+02 3.884314532e+02 7.194623804e+02 2.052617073e+02 3.752708573e+02 1.34 7.403085714e+02 3.421756411e+02 6.264597688e+02 7.412912478e+02 7.423201858e+02 1.535361512e+02 3.483038836e+02 6.521279596e+02 1.862025480e+02 3.393935777e+02 1.36 6.720207903e+02 3.081402026e+02 5.689524988e+02 6.739622245e+02 6.759139270e+02 1.382379909e+02 3.127831456e+02 5.914068910e+02 1.691668763e+02 3.078167411e+02 1.38 6.104270501e+02 2.778212020e+02 5.160120344e+02 6.129817048e+02 6.155374189e+02 1.242695866e+02 2.814891536e+02 5.366706277e+02 1.538426521e+02 2.798882293e+02 1.40 5.549222551e+02 2.507706794e+02 4.673825581e+02 5.577177323e+02 5.605132374e+02 1.115195600e+02 2.540281610e+02 4.873185766e+02 1.399670882e+02 2.550978803e+02 1.42 5.049144539e+02 2.265487724e+02 4.228204183e+02 5.075959124e+02 5.102773710e+02 9.988306583e+01 2.299870263e+02 4.427691720e+02 1.273333153e+02 2.330341317e+02 1.44 4.598024121e+02 2.047544265e+02 3.820905606e+02 4.620854990e+02 4.643685858e+02 8.926546433e+01 2.089444574e+02 4.024780387e+02 1.157805410e+02 2.133152783e+02 1.46 4.189840809e+02 1.850541455e+02 3.449788571e+02 4.206921933e+02 4.224003057e+02 7.958841826e+01 1.904871356e+02 3.659578910e+02 1.051808196e+02 1.955667014e+02 1.48 3.818964092e+02 1.671963142e+02 3.112970251e+02 3.829643124e+02 3.840322156e+02 7.079155495e+01 1.742253806e+02 3.327846580e+02 9.543088673e+01 1.794428490e+02 1.50 3.480638829e+02 1.510043567e+02 2.808731457e+02 3.485157021e+02 3.489675213e+02 6.282706081e+01 1.598027546e+02 3.026015890e+02 8.644671390e+01 1.646600154e+02 1.52 3.171316866e+02 1.363538986e+02 2.535333094e+02 3.170479459e+02 3.169642052e+02 5.565071786e+01 1.468995280e+02 2.751251933e+02 7.816149313e+01 1.510194826e+02 1.54 2.888576678e+02 1.231461385e+02 2.290893918e+02 2.883438345e+02 2.878300013e+02 4.921655106e+01 1.352386310e+02 2.501327791e+02 7.052553704e+01 1.384026293e+02 1.56 2.630617157e+02 1.112889415e+02 2.073365513e+02 2.622289870e+02 2.613962584e+02 4.347580168e+01 1.245950919e+02 2.274305116e+02 6.350229198e+01 1.267365825e+02 1.58 2.395745273e+02 1.006872879e+02 1.880541945e+02 2.385331992e+02 2.374918711e+02 3.837699458e+01 1.147974879e+02 2.068300614e+02 5.706088946e+01 1.159593595e+02 1.60 2.182201944e+02 9.124104007e+01 1.710082017e+02 2.170773686e+02 2.159345427e+02 3.386623183e+01 1.057200333e+02 1.881472910e+02 5.117047306e+01 1.060076358e+02 1.62 1.988192917e+02 8.284627669e+01 1.559546432e+02 1.976759935e+02 1.965326953e+02 2.988774936e+01 9.727402643e+01 1.712106140e+02 4.579860992e+01 9.681725733e+01 1.64 1.811966613e+02 7.539767496e+01 1.426453876e+02 1.801434553e+02 1.790902493e+02 2.638478912e+01 8.939968781e+01 1.558689213e+02 4.091141602e+01 8.832601856e+01 1.66 1.651907290e+02 6.879144080e+01 1.308357732e+02 1.643018347e+02 1.634129404e+02 2.330083949e+01 8.205426607e+01 1.419944536e+02 3.647403646e+01 8.047704733e+01 1.68 1.506619524e+02 6.292817148e+01 1.202938502e+02 1.499886290e+02 1.493153056e+02 2.058127859e+01 7.520096194e+01 1.294784393e+02 3.245141406e+01 7.322187701e+01 1.70 1.374964649e+02 5.771459911e+01 1.108096952e+02 1.370615659e+02 1.366266668e+02 1.817538949e+01 6.880514591e+01 1.182224871e+02 2.880931125e+01 6.652170857e+01 1.72 1.256014271e+02 5.306336687e+01 1.022028303e+02 1.253978913e+02 1.251943555e+02 1.603856067e+01 6.283538034e+01 1.081313787e+02 2.551543119e+01 6.034559673e+01 1.74 1.148934845e+02 4.889159928e+01 9.432710700e+01 1.148887989e+02 1.148841132e+02 1.413421501e+01 5.726501053e+01 9.910844491e+01 2.254033662e+01 5.466618264e+01 1.76 1.052880522e+02 4.512093498e+01 8.707404140e+01 1.054338587e+02 1.055796651e+02 1.243469691e+01 5.207289468e+01 9.105280592e+01 1.985778190e+01 4.945588894e+01 1.78 9.669508499e+01 4.168044482e+01 8.037279250e+01 9.693836277e+01 9.718164055e+01 1.092029668e+01 4.724262021e+01 8.385920436e+01 1.744425812e+01 4.468553797e+01 1.80 8.901890549e+01 3.851046665e+01 7.418183383e+01 8.931093253e+01 8.960295958e+01 9.576327399e+00 4.276037786e+01 7.741979235e+01 1.527809503e+01 4.032437910e+01 1.82 8.215906554e+01 3.556476299e+01 6.847400530e+01 8.246015233e+01 8.276123911e+01 8.389709285e+00 3.861282260e+01 7.162709450e+01 1.333885852e+01 3.634045810e+01 1.84 7.601192805e+01 3.280965484e+01 6.322457014e+01 7.629270644e+01 7.657348484e+01 7.347133975e+00 3.478607797e+01 6.637803384e+01 1.160730672e+01 3.270122858e+01 1.86 7.047325330e+01 3.022084625e+01 5.840708541e+01 7.071455557e+01 7.095585785e+01 6.434942863e+00 3.126555103e+01 6.157869553e+01 1.006555852e+01 2.937444333e+01 1.88 6.544202220e+01 2.778052153e+01 5.399293860e+01 6.563421779e+01 6.582641339e+01 5.639349789e+00 2.803591218e+01 5.714894798e+01 8.697184188e+00 2.632931513e+01 1.90 6.082547033e+01 2.547589105e+01 4.995134470e+01 6.096722299e+01 6.110897565e+01 4.946575147e+00 2.508112546e+01 5.302562704e+01 7.487003014e+00 2.353785139e+01 1.92 5.654473912e+01 2.329790216e+01 4.624949524e+01 5.664110388e+01 5.673746864e+01 4.342996311e+00 2.238454719e+01 4.916326628e+01 6.420587659e+00 2.097613225e+01 1.94 5.253970603e+01 2.123981810e+01 4.285294260e+01 5.259966770e+01 5.265962938e+01 3.815348343e+00 1.992910549e+01 4.553236547e+01 5.483805993e+00 1.862514963e+01 1.96 4.877085546e+01 1.929641635e+01 3.972629452e+01 4.880468751e+01 4.883851956e+01 3.350989978e+00 1.769756797e+01 4.211575591e+01 4.662746916e+00 1.647076259e+01 1.98 4.521646463e+01 1.746363285e+01 3.683428103e+01 4.523351976e+01 4.525057488e+01 2.938245585e+00 1.567289332e+01 3.890354439e+01 3.943985447e+00 1.450254875e+01 2.00 4.186579152e+01 1.573813404e+01 3.414320540e+01 4.187326141e+01 4.188073130e+01 2.566816198e+00 1.383864092e+01 3.588834427e+01 3.314927448e+00 1.271194577e+01 2.02 3.871210657e+01 1.411690165e+01 3.162268039e+01 3.871480183e+01 3.871749709e+01 2.228213877e+00 1.217937979e+01 3.306291163e+01 2.764134154e+00 1.109067133e+01 2.04 3.574916107e+01 1.259703686e+01 2.924737295e+01 3.574988437e+01 3.575060768e+01 1.916112841e+00 1.068099883e+01 3.041970708e+01 2.281578888e+00 9.630092099e+00 2.06 3.297050827e+01 1.117571958e+01 2.699827416e+01 3.297061956e+01 3.297073086e+01 1.626450268e+00 9.330796561e+00 2.795086816e+01 1.858749241e+00 8.321190078e+00 2.08 3.036945984e+01 9.850188994e+00 2.486291395e+01 3.036945761e+01 3.036945538e+01 1.357111483e+00 8.117261458e+00 2.564818469e+01 1.488510807e+00 7.154597035e+00 2.10 2.793902996e+01 8.617719662e+00 2.283418885e+01 2.793902601e+01 2.793902207e+01 1.107186596e+00 7.029587598e+00 2.350309620e+01 1.164727757e+00 6.120615589e+00 2.12 2.567188220e+01 7.475598530e+00 2.090819381e+01 2.567188178e+01 2.567188136e+01 8.760929701e-01 6.057165647e+00 2.150672227e+01 8.817952767e-01 5.209251974e+00 2.14 2.356028970e+01 6.421103349e+00 1.908220241e+01 2.356028969e+01 2.356028969e+01 6.630535567e-01 5.189346327e+00 1.964993198e+01 6.343619249e-01 4.410264720e+00 2.16 2.159611360e+01 5.451482676e+00 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