# 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 = SW_ZhouWardMartin_2013_CdTeZnSeHgS__MO_503261197030_002 # composition = TeZn3 # 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 1.193744252e+04 nan nan 0.88 1.038623869e+04 nan nan 0.90 9.068770373e+03 nan nan 0.92 7.944407308e+03 nan nan 0.94 6.981177045e+03 1.183594207e+04 nan 0.96 6.151357646e+03 1.041375839e+04 1.241287141e+04 0.98 5.433171867e+03 9.187217326e+03 1.099144159e+04 1.00 4.809309059e+03 8.125865754e+03 9.760878961e+03 1.02 4.265144571e+03 7.208558003e+03 8.684262983e+03 1.04 3.789435232e+03 6.415696192e+03 7.731303323e+03 1.06 3.373205562e+03 5.725941962e+03 6.883844595e+03 1.08 3.007342442e+03 5.118748021e+03 6.130569517e+03 1.10 2.683006150e+03 4.579273541e+03 5.461408037e+03 1.12 2.393591732e+03 4.099266530e+03 4.867389042e+03 1.14 2.135304923e+03 3.673101938e+03 4.341514124e+03 1.16 1.905488394e+03 3.295289643e+03 3.878314733e+03 1.18 1.701370897e+03 2.960129069e+03 3.472010536e+03 1.20 1.520072661e+03 2.661978234e+03 3.115797282e+03 1.22 1.358960125e+03 2.395728262e+03 2.802378583e+03 1.24 1.215934854e+03 2.157152233e+03 2.525074140e+03 1.26 1.089382698e+03 1.943166163e+03 2.278922409e+03 1.28 9.778331194e+02 1.751604464e+03 2.060687008e+03 1.30 8.797306103e+02 1.580584261e+03 1.867843162e+03 1.32 7.934080481e+02 1.428330022e+03 1.697823161e+03 1.34 7.171365249e+02 1.293218910e+03 1.547707627e+03 1.36 6.492235057e+02 1.173697964e+03 1.414274885e+03 1.38 5.882251270e+02 1.068109145e+03 1.294338399e+03 1.40 5.331734567e+02 9.745774726e+02 1.185237793e+03 1.42 4.835295736e+02 8.910780113e+02 1.085232714e+03 1.44 4.389116068e+02 8.156705755e+02 9.934388975e+02 1.46 3.989528549e+02 7.467737655e+02 9.093381151e+02 1.48 3.632822117e+02 6.832944270e+02 8.324506626e+02 1.50 3.315170281e+02 6.245641585e+02 7.623033553e+02 1.52 3.032632243e+02 5.701938899e+02 6.984491292e+02 1.54 2.781180465e+02 5.199270065e+02 6.404616388e+02 1.56 2.556674170e+02 4.735751428e+02 5.878988098e+02 1.58 2.354875766e+02 4.309876170e+02 5.402623375e+02 1.60 2.171696963e+02 3.920161771e+02 4.969868415e+02 1.62 2.003693843e+02 3.564976961e+02 4.574668345e+02 1.64 1.848491157e+02 3.242538364e+02 4.211161008e+02 1.66 1.704700287e+02 2.950951831e+02 3.874451029e+02 1.68 1.571400986e+02 2.688262616e+02 3.561193096e+02 1.70 1.447788210e+02 2.452501076e+02 3.269507088e+02 1.72 1.333107420e+02 2.241710584e+02 2.998294684e+02 1.74 1.226647125e+02 2.053955753e+02 2.746686315e+02 1.76 1.127746551e+02 1.887322799e+02 2.513871865e+02 1.78 1.035829003e+02 1.739909790e+02 2.299074635e+02 1.80 9.504389499e+01 1.609786945e+02 2.101540143e+02 1.82 8.712520228e+01 1.494946617e+02 1.920503076e+02 1.84 7.980416233e+01 1.393306227e+02 1.755151276e+02 1.86 7.306143890e+01 1.302785372e+02 1.604616527e+02 1.88 6.687540308e+01 1.221402652e+02 1.467991985e+02 1.90 6.121972402e+01 1.147343921e+02 1.344361312e+02 1.92 5.606277314e+01 1.079023901e+02 1.232830696e+02 1.94 5.136748881e+01 1.015184654e+02 1.132554303e+02 1.96 4.709169664e+01 9.549693816e+01 1.042740169e+02 1.98 4.318915942e+01 8.978637560e+01 9.626265038e+01 2.00 3.961163283e+01 8.435307692e+01 8.914336128e+01 2.02 3.631205945e+01 7.916937684e+01 8.283171023e+01 2.04 3.324859367e+01 7.421195372e+01 7.723488673e+01 2.06 3.038835490e+01 6.946302211e+01 7.225285909e+01 2.08 2.770904449e+01 6.491077982e+01 6.778182564e+01 2.10 2.519703205e+01 6.054853092e+01 6.371999860e+01 2.12 2.284319166e+01 5.637275226e+01 5.997550988e+01 2.14 2.063999850e+01 5.238113566e+01 5.647474752e+01 2.16 1.858096145e+01 4.857154717e+01 5.316759488e+01 2.18 1.666065495e+01 4.494178688e+01 5.002584598e+01 2.20 1.487450118e+01 4.148955263e+01 4.703505548e+01 2.22 1.321832359e+01 3.821240117e+01 4.418591688e+01 2.24 1.168788350e+01 3.510770746e+01 4.147016752e+01 2.26 1.027861401e+01 3.217262555e+01 3.887963878e+01 2.28 8.985554343e+00 2.940405120e+01 3.640622864e+01 2.30 7.803354651e+00 2.679858716e+01 3.404213274e+01 2.32 6.726296703e+00 2.435251144e+01 3.178013464e+01 2.34 5.748333645e+00 2.206174981e+01 2.961390364e+01 2.36 4.863153727e+00 1.992185345e+01 2.753824662e+01 2.38 4.064270827e+00 1.792798323e+01 2.554924259e+01 2.40 3.345142422e+00 1.607490259e+01 2.364419389e+01 2.42 2.699311570e+00 1.435698092e+01 2.182137417e+01 2.44 2.120563070e+00 1.276821034e+01 2.007964380e+01 2.46 1.603075419e+00 1.130223889e+01 1.841808707e+01 2.48 1.141541348e+00 9.952423378e+00 1.683580638e+01 2.50 7.312252940e-01 8.711905481e+00 1.533186804e+01 2.52 3.679337924e-01 7.573713415e+00 1.390529807e+01 2.54 4.790197049e-02 6.530890188e+00 1.255507373e+01 2.56 -2.323574316e-01 5.576645510e+00 1.128011170e+01 2.58 -4.761650431e-01 4.704522794e+00 1.007925634e+01 2.60 -6.866928438e-01 3.908564500e+00 8.951268326e+00 2.62 -8.669109048e-01 3.183449731e+00 7.894814082e+00 2.64 -1.019522383e+00 2.524570795e+00 6.908455826e+00 2.66 -1.146913662e+00 1.928016552e+00 5.990642669e+00 2.68 -1.251122356e+00 1.390447897e+00 5.139702872e+00 2.70 -1.333829408e+00 9.088883823e-01 4.353837564e+00 2.72 -1.396383949e+00 4.804986617e-01 3.631116214e+00 2.74 -1.439866924e+00 1.024209482e-01 2.969474197e+00 2.76 -1.465192064e+00 -2.282660936e-01 2.366712830e+00 2.78 -1.473230461e+00 -5.145204997e-01 1.820502278e+00 2.80 -1.464930884e+00 -7.592983463e-01 1.328387744e+00 2.82 -1.441400770e+00 -9.655227243e-01 8.877993391e-01 2.84 -1.403924691e+00 -1.136057915e+00 4.960660095e-01 2.86 -1.353929968e+00 -1.273689818e+00 1.504337576e-01 2.88 -1.292938373e+00 -1.381115996e+00 -1.519117307e-01 2.90 -1.222534640e+00 -1.460948180e+00 -4.138182333e-01 2.92 -1.144350079e+00 -1.515727931e+00 -6.381364642e-01 2.94 -1.060048718e+00 -1.547952333e+00 -8.276869467e-01 2.96 -9.713112019e-01 -1.560101412e+00 -9.852260136e-01 2.98 -8.798159183e-01 -1.554654737e+00 -1.113413404e+00 3.00 -7.872173565e-01 -1.534085038e+00 -1.214784640e+00 3.02 -6.951218220e-01 -1.500824789e+00 -1.291731823e+00 3.04 -6.050607659e-01 -1.457214779e+00 -1.346496303e+00 3.06 -5.184621371e-01 -1.405450407e+00 -1.381175433e+00 3.08 -4.366203469e-01 -1.347534946e+00 -1.397742844e+00 3.10 -3.606656360e-01 -1.285239993e+00 -1.398077535e+00 3.12 -2.915338608e-01 -1.220073316e+00 -1.383992692e+00 3.14 -2.299379802e-01 -1.153257871e+00 -1.357253301e+00 3.16 -1.763428416e-01 -1.085727386e+00 -1.319575352e+00 3.18 -1.309452641e-01 -1.018143896e+00 -1.272608980e+00 3.20 -9.366193402e-02 -9.509406755e-01 -1.217916379e+00 3.22 -6.412827318e-02 -8.843889928e-01 -1.156954285e+00 3.24 -4.171213782e-02 -8.186786088e-01 -1.091063118e+00 3.26 -2.554670852e-02 -7.539919503e-01 -1.021461405e+00 3.28 -1.458662142e-02 -6.905474437e-01 -9.492454364e-01 3.30 -7.689223369e-03 -6.285987095e-01 -8.753949655e-01 3.32 -3.717437015e-03 -5.684042267e-01 -8.007854831e-01 3.34 -1.651283658e-03 -5.102023642e-01 -7.262068413e-01 3.36 -6.834179763e-04 -4.542109570e-01 -6.523867753e-01 3.38 -2.672405886e-04 -4.006415518e-01 -5.800162171e-01 3.40 -9.658728027e-05 -3.497144459e-01 -5.097714988e-01 3.42 -2.988700180e-05 -3.016678615e-01 -4.423272828e-01 3.44 -7.140591429e-06 -2.567572982e-01 -3.783544525e-01 3.46 -1.170058503e-06 -2.152432757e-01 -3.185003497e-01 3.48 -1.106046389e-07 -1.773694975e-01 -2.633546824e-01 3.50 -4.491199369e-09 -1.433374580e-01 -2.134105489e-01 3.52 -4.512594638e-11 -1.132845086e-01 -1.690315411e-01 3.54 -3.498470893e-14 -8.726885889e-02 -1.304304220e-01 3.56 -1.082750267e-19 -6.526037363e-02 -9.765773334e-02 3.58 -4.117229990e-32 -4.713513700e-02 -7.059714913e-02 3.60 -2.757815590e-86 -3.267366895e-02 -4.896710834e-02 3.62 0.000000000e+00 -2.156401170e-02 -3.233015044e-02 3.64 0.000000000e+00 -1.341125668e-02 -2.011185142e-02 3.66 0.000000000e+00 -7.754978473e-03 -1.163112638e-02 3.68 0.000000000e+00 -4.095418471e-03 -6.142840103e-03 3.70 0.000000000e+00 -1.927830117e-03 -2.891698369e-03 3.72 0.000000000e+00 -7.819511281e-04 -1.172921362e-03 3.74 0.000000000e+00 -2.603120519e-04 -3.904676999e-04 3.76 0.000000000e+00 -6.614885770e-05 -9.922327254e-05 3.78 0.000000000e+00 -1.146041510e-05 -1.719062244e-05 3.80 0.000000000e+00 -1.123699377e-06 -1.685549064e-06 3.82 0.000000000e+00 -4.481313773e-08 -6.721970660e-08 3.84 0.000000000e+00 -3.804942374e-10 -5.707413561e-10 3.86 0.000000000e+00 -1.590469208e-13 -2.385703812e-13 3.88 0.000000000e+00 -5.083738867e-20 -7.625608301e-20 3.90 0.000000000e+00 -1.248983543e-37 -1.873475315e-37 3.92 0.000000000e+00 -1.231028686e-263 -1.846543029e-263 3.94 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.96 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.98 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.00 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.02 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.04 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.06 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.08 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.10 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.12 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.14 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.16 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.18 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.20 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.22 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.24 0.000000000e+00 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