# 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 = HgZn3 # 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 5.544322597e+03 nan nan 0.88 4.822401668e+03 nan nan 0.90 4.205369539e+03 nan nan 0.92 3.675221293e+03 nan nan 0.94 3.218122522e+03 5.480378892e+03 nan 0.96 2.823399038e+03 4.821791587e+03 5.731009405e+03 0.98 2.482622636e+03 4.251521974e+03 5.061397950e+03 1.00 2.188671461e+03 3.755946515e+03 4.481922221e+03 1.02 1.935224044e+03 3.325391766e+03 3.977888988e+03 1.04 1.716734203e+03 2.951301089e+03 3.536609546e+03 1.06 1.528067296e+03 2.625278965e+03 3.148608378e+03 1.08 1.364108478e+03 2.339610881e+03 2.806690797e+03 1.10 1.220150661e+03 2.088073343e+03 2.504819766e+03 1.12 1.092591133e+03 1.866163750e+03 2.237938194e+03 1.14 9.790412441e+02 1.670386017e+03 2.002019542e+03 1.16 8.777633713e+02 1.497690974e+03 1.793844930e+03 1.18 7.872232357e+02 1.345262055e+03 1.610371429e+03 1.20 7.060316994e+02 1.210498724e+03 1.448478506e+03 1.22 6.330545113e+02 1.091107846e+03 1.305131822e+03 1.24 5.674748828e+02 9.851037022e+02 1.177604032e+03 1.26 5.087197550e+02 8.907675604e+02 1.063681954e+03 1.28 4.562939228e+02 8.065999657e+02 9.617337748e+02 1.30 4.096552774e+02 7.312473354e+02 8.705445616e+02 1.32 3.681945437e+02 6.635386978e+02 7.890796611e+02 1.34 3.312660351e+02 6.025470086e+02 7.162928860e+02 1.36 2.982411303e+02 5.475510982e+02 6.510897727e+02 1.38 2.685733557e+02 4.979256629e+02 5.924061183e+02 1.40 2.418468759e+02 4.530466136e+02 5.393196326e+02 1.42 2.177666225e+02 4.122800064e+02 4.911333700e+02 1.44 1.961008642e+02 3.750432564e+02 4.473565070e+02 1.46 1.766467322e+02 3.408761933e+02 4.075949583e+02 1.48 1.592211644e+02 3.094692035e+02 3.714796810e+02 1.50 1.436527663e+02 2.806329234e+02 3.386713648e+02 1.52 1.297775604e+02 2.542409982e+02 3.088779859e+02 1.54 1.174360143e+02 2.301789197e+02 2.818527702e+02 1.56 1.064673946e+02 2.083223086e+02 2.573699147e+02 1.58 9.670811687e+01 1.885353234e+02 2.351987821e+02 1.60 8.799941149e+01 1.706730784e+02 2.150963261e+02 1.62 8.019967010e+01 1.545851455e+02 1.968155201e+02 1.64 7.319328615e+01 1.401196938e+02 1.801231267e+02 1.66 6.688901153e+01 1.271275976e+02 1.648210466e+02 1.68 6.120956231e+01 1.154659380e+02 1.507617511e+02 1.70 5.608377723e+01 1.050008428e+02 1.378468813e+02 1.72 5.144471883e+01 9.560976688e+01 1.260086067e+02 1.74 4.722922345e+01 8.718303292e+01 1.151889900e+02 1.76 4.337875445e+01 7.962481672e+01 1.053288639e+02 1.78 3.984231916e+01 7.285281299e+01 9.636472674e+01 1.80 3.657964182e+01 6.679448627e+01 8.822905529e+01 1.82 3.356223945e+01 6.138099230e+01 8.085150606e+01 1.84 3.077121885e+01 5.654341228e+01 7.416064936e+01 1.86 2.819282861e+01 5.221322541e+01 6.808621863e+01 1.88 2.581479057e+01 4.832438054e+01 6.256170806e+01 1.90 2.362496250e+01 4.481497058e+01 5.752694628e+01 1.92 2.161099277e+01 4.162873699e+01 5.293010941e+01 1.94 1.975996637e+01 3.871708456e+01 4.872864416e+01 1.96 1.805819505e+01 3.604053738e+01 4.488873127e+01 1.98 1.649137107e+01 3.356772097e+01 4.138307331e+01 2.00 1.504506555e+01 3.127239701e+01 3.818733999e+01 2.02 1.370546518e+01 2.913145414e+01 3.527687900e+01 2.04 1.246023459e+01 2.712511677e+01 3.262535906e+01 2.06 1.129927458e+01 2.523779812e+01 3.020509915e+01 2.08 1.021502826e+01 2.345830030e+01 2.798809065e+01 2.10 9.202090264e+00 2.177901208e+01 2.594742994e+01 2.12 8.256341884e+00 2.019437558e+01 2.405902704e+01 2.14 7.374275779e+00 1.869945444e+01 2.230318028e+01 2.16 6.552829773e+00 1.728928448e+01 2.066534652e+01 2.18 5.789408821e+00 1.595883560e+01 1.913551426e+01 2.20 5.081836243e+00 1.470311195e+01 1.770634617e+01 2.22 4.428212627e+00 1.351726545e+01 1.637129198e+01 2.24 3.826737337e+00 1.239673356e+01 1.512374658e+01 2.26 3.275575463e+00 1.133739221e+01 1.395701223e+01 2.28 2.772808282e+00 1.033569869e+01 1.286445449e+01 2.30 2.316429392e+00 9.388786076e+00 1.183969652e+01 2.32 1.904345103e+00 8.494467471e+00 1.087683747e+01 2.34 1.534374040e+00 7.651125344e+00 9.970667988e+00 2.36 1.204248883e+00 6.857508362e+00 9.116839662e+00 2.38 9.116208870e-01 6.112514030e+00 8.311935356e+00 2.40 6.540674737e-01 5.415046313e+00 7.553395736e+00 2.42 4.291031431e-01 4.763968354e+00 6.839298052e+00 2.44 2.341939427e-01 4.158097506e+00 6.168054276e+00 2.46 6.677568606e-02 3.596201931e+00 5.538153697e+00 2.48 -7.572394408e-02 3.076995347e+00 4.948045450e+00 2.50 -1.958593657e-01 2.599132422e+00 4.396138350e+00 2.52 -2.961372185e-01 2.161205240e+00 3.880830207e+00 2.54 -3.789828973e-01 1.761741026e+00 3.400530574e+00 2.56 -4.467040137e-01 1.399201295e+00 2.953683204e+00 2.58 -5.014516748e-01 1.071982618e+00 2.538791009e+00 2.60 -5.451809915e-01 7.784192099e-01 2.154441363e+00 2.62 -5.796129645e-01 5.167875418e-01 1.799327929e+00 2.64 -6.062008616e-01 2.853131704e-01 1.472264081e+00 2.66 -6.261053694e-01 8.217995765e-02 1.172182765e+00 2.68 -6.401839939e-01 -9.445820078e-02 8.981192506e-01 2.70 -6.490009678e-01 -2.464631005e-01 6.491775762e-01 2.72 -6.528634815e-01 -3.756954945e-01 4.244879960e-01 2.74 -6.518872167e-01 -4.839961772e-01 2.231682350e-01 2.76 -6.460877256e-01 -5.731654266e-01 4.430026335e-02 2.78 -6.354840817e-01 -6.449416892e-01 -1.130756976e-01 2.80 -6.201903455e-01 -7.009808329e-01 -2.499587855e-01 2.82 -6.004664276e-01 -7.428377834e-01 -3.673850018e-01 2.84 -5.767127641e-01 -7.719528471e-01 -4.664256778e-01 2.86 -5.494231695e-01 -7.896453361e-01 -5.481855951e-01 2.88 -5.191340717e-01 -7.971170088e-01 -6.138003262e-01 2.90 -4.863967117e-01 -7.954669504e-01 -6.644327200e-01 2.92 -4.517674615e-01 -7.857174724e-01 -7.012684887e-01 2.94 -4.158027290e-01 -7.688472764e-01 -7.255108615e-01 2.96 -3.790536757e-01 -7.458241171e-01 -7.383742844e-01 2.98 -3.420602899e-01 -7.176264175e-01 -7.410771606e-01 3.00 -3.053448413e-01 -6.852448504e-01 -7.348336484e-01 3.02 -2.694047873e-01 -6.496629040e-01 -7.208445586e-01 3.04 -2.347052294e-01 -6.118264508e-01 -7.002874221e-01 3.06 -2.016710565e-01 -5.726163491e-01 -6.743058359e-01 3.08 -1.706789503e-01 -5.328300902e-01 -6.439982345e-01 3.10 -1.420494755e-01 -4.931695652e-01 -6.104062839e-01 3.12 -1.160395262e-01 -4.542320511e-01 -5.745031487e-01 3.14 -9.283546107e-02 -4.165044398e-01 -5.371819473e-01 3.16 -7.254733410e-02 -3.803616671e-01 -4.992447847e-01 3.18 -5.520471767e-02 -3.460702290e-01 -4.613928392e-01 3.20 -4.075473118e-02 -3.137972264e-01 -4.242180769e-01 3.22 -2.906301966e-02 -2.836244836e-01 -3.881972772e-01 3.24 -1.991855353e-02 -2.555659263e-01 -3.536891608e-01 3.26 -1.304317844e-02 -2.295849426e-01 -3.209355007e-01 3.28 -8.106714351e-03 -2.056078471e-01 -2.900671234e-01 3.30 -4.747898261e-03 -1.835312202e-01 -2.611156155e-01 3.32 -2.600370939e-03 -1.632251997e-01 -2.340312253e-01 3.34 -1.321121769e-03 -1.445388866e-01 -2.087068060e-01 3.36 -6.166237999e-04 -1.273127463e-01 -1.850065587e-01 3.38 -2.603820899e-04 -1.113965170e-01 -1.627968241e-01 3.40 -9.663938769e-05 -9.666713924e-02 -1.419744773e-01 3.42 -2.993402160e-05 -8.304163188e-02 -1.224872241e-01 3.44 -7.141646284e-06 -7.048111996e-02 -1.043403479e-01 3.46 -1.170059827e-06 -5.898427927e-02 -8.758731955e-02 3.48 -1.106046389e-07 -4.857211522e-02 -7.230721929e-02 3.50 -4.491199369e-09 -3.926979871e-02 -5.857769051e-02 3.52 -4.512594638e-11 -3.109215119e-02 -4.645345811e-02 3.54 -3.498470893e-14 -2.403574813e-02 -3.595495959e-02 3.56 -1.082750267e-19 -1.807590927e-02 -2.706451297e-02 3.58 -4.117229990e-32 -1.316581118e-02 -1.972584084e-02 3.60 -2.757815590e-86 -9.236665589e-03 -1.384530140e-02 3.62 0.000000000e+00 -6.199028388e-03 -9.294845322e-03 3.64 0.000000000e+00 -3.945513201e-03 -5.917028072e-03 3.66 0.000000000e+00 -2.355144815e-03 -3.532359589e-03 3.68 0.000000000e+00 -1.299442152e-03 -1.949077928e-03 3.70 0.000000000e+00 -6.500375639e-04 -9.750402609e-04 3.72 0.000000000e+00 -2.871973558e-04 -4.307937820e-04 3.74 0.000000000e+00 -1.080523458e-04 -1.620783043e-04 3.76 0.000000000e+00 -3.285171298e-05 -4.927755722e-05 3.78 0.000000000e+00 -7.466479776e-06 -1.119971932e-05 3.80 0.000000000e+00 -1.123764218e-06 -1.685646323e-06 3.82 0.000000000e+00 -9.175951955e-08 -1.376392793e-07 3.84 0.000000000e+00 -2.856713907e-09 -4.285070861e-09 3.86 0.000000000e+00 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