# 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 = Cd3Hg # 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 7.911631709e+03 nan nan 0.88 6.883263262e+03 nan nan 0.90 6.006115442e+03 nan nan 0.92 5.255653661e+03 nan nan 0.94 4.611071893e+03 7.816393822e+03 nan 0.96 4.055811288e+03 6.873510353e+03 8.152414946e+03 0.98 3.576298216e+03 6.061181891e+03 7.193309258e+03 1.00 3.161388952e+03 5.360324329e+03 6.366829042e+03 1.02 2.801422818e+03 4.754127487e+03 5.653204144e+03 1.04 2.487672506e+03 4.228768070e+03 5.033761474e+03 1.06 2.212993638e+03 3.772113703e+03 4.491576271e+03 1.08 1.971947243e+03 3.372740705e+03 4.013774672e+03 1.10 1.760011680e+03 3.020170029e+03 3.591576904e+03 1.12 1.573174290e+03 2.706163140e+03 3.218238285e+03 1.14 1.408107648e+03 2.425518589e+03 2.887815048e+03 1.16 1.262238105e+03 2.175126753e+03 2.594909136e+03 1.18 1.133462378e+03 1.952542981e+03 2.334811131e+03 1.20 1.019765344e+03 1.755358911e+03 2.103484658e+03 1.22 9.191514526e+02 1.580991565e+03 1.897427861e+03 1.24 8.298148584e+02 1.426687978e+03 1.713589825e+03 1.26 7.502782977e+02 1.289741077e+03 1.549281110e+03 1.28 6.793651758e+02 1.167766691e+03 1.402262337e+03 1.30 6.160577311e+02 1.058858609e+03 1.270828527e+03 1.32 5.593904244e+02 9.615081210e+02 1.153601577e+03 1.34 5.084383441e+02 8.744577643e+02 1.049233792e+03 1.36 4.623675480e+02 7.966631064e+02 9.563076102e+02 1.38 4.204754286e+02 7.272317613e+02 8.733493909e+02 1.40 3.822043655e+02 6.652885384e+02 7.988746386e+02 1.42 3.471491339e+02 6.098948478e+02 7.314923020e+02 1.44 3.150460185e+02 5.600690509e+02 6.700539899e+02 1.46 2.857267536e+02 5.148577167e+02 6.137593202e+02 1.48 2.590561859e+02 4.734261907e+02 5.621225218e+02 1.50 2.348905540e+02 4.351344294e+02 5.148172340e+02 1.52 2.130675492e+02 3.995563211e+02 4.715518024e+02 1.54 1.934070951e+02 3.664355756e+02 4.320424543e+02 1.56 1.757146364e+02 3.356160563e+02 3.960189133e+02 1.58 1.597869522e+02 3.069805179e+02 3.632223544e+02 1.60 1.454206495e+02 2.804200898e+02 3.333927049e+02 1.62 1.324225840e+02 2.558322808e+02 3.062573134e+02 1.64 1.206201759e+02 2.331258849e+02 2.815328160e+02 1.66 1.098690405e+02 2.122228713e+02 2.589385217e+02 1.68 1.000565875e+02 1.930546230e+02 2.382153066e+02 1.70 9.110109138e+01 1.755540459e+02 2.191447948e+02 1.72 8.294429966e+01 1.596488407e+02 2.015608155e+02 1.74 7.553935284e+01 1.452589396e+02 1.853448261e+02 1.76 6.884141975e+01 1.322962467e+02 1.704059526e+02 1.78 6.280383637e+01 1.206649510e+02 1.566601179e+02 1.80 5.737763840e+01 1.102622047e+02 1.440213983e+02 1.82 5.251228020e+01 1.009792711e+02 1.324027536e+02 1.84 4.815668006e+01 9.270327051e+01 1.217193990e+02 1.86 4.426044100e+01 8.531962768e+01 1.118928194e+02 1.88 4.077504946e+01 7.871522003e+01 1.028545716e+02 1.90 3.765472104e+01 7.278199216e+01 9.454860373e+01 1.92 3.485655612e+01 6.742051393e+01 8.693072387e+01 1.94 3.233999015e+01 6.254286622e+01 7.996482966e+01 1.96 3.006616563e+01 5.807466220e+01 7.361757262e+01 1.98 2.799815890e+01 5.395661812e+01 6.785437129e+01 2.00 2.610224557e+01 5.014555751e+01 6.263795640e+01 2.02 2.434941550e+01 4.661322543e+01 5.792823507e+01 2.04 2.271628927e+01 4.334184002e+01 5.368244720e+01 2.06 2.118493406e+01 4.031822062e+01 4.985549325e+01 2.08 1.974163253e+01 3.752969913e+01 4.640051401e+01 2.10 1.837545589e+01 3.496273243e+01 4.326981658e+01 2.12 1.707763331e+01 3.260273059e+01 4.041623109e+01 2.14 1.584163351e+01 3.043408320e+01 3.779492499e+01 2.16 1.466309185e+01 2.844025224e+01 3.536556641e+01 2.18 1.353926635e+01 2.660395499e+01 3.309450546e+01 2.20 1.246834328e+01 2.490746162e+01 3.095638485e+01 2.22 1.144896185e+01 2.333302749e+01 2.893446871e+01 2.24 1.047997481e+01 2.186346628e+01 2.701926445e+01 2.26 9.560316472e+00 2.048283990e+01 2.520584158e+01 2.28 8.688951276e+00 1.917719393e+01 2.349113800e+01 2.30 7.864865807e+00 1.793520635e+01 2.187242192e+01 2.32 7.087063452e+00 1.674856673e+01 2.034686006e+01 2.34 6.354556398e+00 1.561190845e+01 1.891146588e+01 2.36 5.666357601e+00 1.452223385e+01 1.756307971e+01 2.38 5.021473126e+00 1.347800601e+01 1.629834948e+01 2.40 4.418894867e+00 1.247829295e+01 1.511371605e+01 2.42 3.857593671e+00 1.152229175e+01 1.400540491e+01 2.44 3.336512908e+00 1.060921415e+01 1.296942610e+01 2.46 2.854562508e+00 9.738293582e+00 1.200158467e+01 2.48 2.410613539e+00 8.908786870e+00 1.109750426e+01 2.50 2.003493372e+00 8.119968617e+00 1.025266640e+01 2.52 1.631981505e+00 7.371125201e+00 9.462468119e+00 2.54 1.294806132e+00 6.661548948e+00 8.722299470e+00 2.56 9.906415482e-01 5.990532475e+00 8.027641261e+00 2.58 7.181064778e-01 5.357363227e+00 7.374180437e+00 2.60 4.757634397e-01 4.761318188e+00 6.757936546e+00 2.62 2.621192550e-01 4.201658799e+00 6.175387328e+00 2.64 7.562680812e-02 3.677626080e+00 5.623575467e+00 2.66 -8.531182759e-02 3.188435998e+00 5.100173882e+00 2.68 -2.223407958e-01 2.733275093e+00 4.603487024e+00 2.70 -3.371442991e-01 2.311296416e+00 4.132374924e+00 2.72 -4.314387982e-01 1.921615810e+00 3.686108060e+00 2.74 -5.069635131e-01 1.563308583e+00 3.264190030e+00 2.76 -5.654692015e-01 1.235406656e+00 2.866204617e+00 2.78 -6.087052304e-01 9.368962237e-01 2.491731191e+00 2.80 -6.384050085e-01 6.667160278e-01 2.140326381e+00 2.82 -6.562699088e-01 4.237563134e-01 1.811532494e+00 2.84 -6.639518902e-01 2.068585702e-01 1.504882466e+00 2.86 -6.630351180e-01 1.481615254e-02 1.219898931e+00 2.88 -6.550169984e-01 -1.536241150e-01 9.560920882e-01 2.90 -6.412891777e-01 -2.997592391e-01 7.129576015e-01 2.92 -6.231192217e-01 -4.249261577e-01 4.899746313e-01 2.94 -6.016338867e-01 -5.304965342e-01 2.866039996e-01 2.96 -5.778051214e-01 -6.178701511e-01 1.022865088e-01 2.98 -5.524401788e-01 -6.884668271e-01 -6.355857079e-02 3.00 -5.261774500e-01 -7.437168070e-01 -2.115348244e-01 3.02 -4.994897668e-01 -7.850496167e-01 -3.422698067e-01 3.04 -4.726968373e-01 -8.138814319e-01 -4.564159235e-01 3.06 -4.459879808e-01 -8.316010871e-01 -5.546510551e-01 3.08 -4.194551572e-01 -8.395549571e-01 -6.376788949e-01 3.10 -3.931342380e-01 -8.390310729e-01 -7.062289764e-01 3.12 -3.670495761e-01 -8.312430035e-01 -7.610563570e-01 3.14 -3.412538299e-01 -8.173142314e-01 -8.029409310e-01 3.16 -3.158532653e-01 -7.982639718e-01 -8.326863406e-01 3.18 -2.910107741e-01 -7.749956199e-01 -8.511184564e-01 3.20 -2.669262596e-01 -7.482892084e-01 -8.590833991e-01 3.22 -2.438045381e-01 -7.187993651e-01 -8.574450780e-01 3.24 -2.218264729e-01 -6.870601774e-01 -8.470822242e-01 3.26 -2.011327461e-01 -6.534979634e-01 -8.288849033e-01 3.28 -1.818179753e-01 -6.184520796e-01 -8.037504960e-01 3.30 -1.639292814e-01 -5.822024738e-01 -7.725791472e-01 3.32 -1.474669927e-01 -5.450007913e-01 -7.362686896e-01 3.34 -1.323875484e-01 -5.070998943e-01 -6.957090645e-01 3.36 -1.186090458e-01 -4.687755715e-01 -6.517762706e-01 3.38 -1.060197756e-01 -4.303352432e-01 -6.053258911e-01 3.40 -9.448978157e-02 -3.921124147e-01 -5.571862647e-01 3.42 -8.388490511e-02 -3.544513487e-01 -5.081513813e-01 3.44 -7.408189091e-02 -3.176901474e-01 -4.589736072e-01 3.46 -6.498208743e-02 -2.821485459e-01 -4.103563574e-01 3.48 -5.652049639e-02 -2.481210120e-01 -3.629468551e-01 3.50 -4.866719118e-02 -2.158723895e-01 -3.173291343e-01 3.52 -4.142020675e-02 -1.856341339e-01 -2.740174584e-01 3.54 -3.479267927e-02 -1.576007028e-01 -2.334503408e-01 3.56 -2.879997321e-02 -1.319261593e-01 -1.959853684e-01 3.58 -2.345152821e-02 -1.087211174e-01 -1.618950420e-01 3.60 -1.874762670e-02 -8.805018174e-02 -1.313638583e-01 3.62 -1.467846643e-02 -6.993006897e-02 -1.044868781e-01 3.64 -1.122386158e-02 -5.432862972e-02 -8.127004316e-02 3.66 -8.353269366e-03 -4.116502812e-02 -6.163252671e-02 3.68 -6.026204198e-03 -3.031136746e-02 -4.541142970e-02 3.70 -4.193127786e-03 -2.159606996e-02 -3.236914443e-02 3.72 -2.796892864e-03 -1.480930693e-02 -2.220369104e-02 3.74 -1.774786920e-03 -9.710709702e-03 -1.456224798e-02 3.76 -1.061164504e-03 -6.039439105e-03 -9.057900730e-03 3.78 -5.905663165e-04 -3.526419735e-03 -5.289270319e-03 3.80 -3.011011207e-04 -1.908133568e-03 -2.862114016e-03 3.82 -1.377267662e-04 -9.408332908e-04 -1.411233138e-03 3.84 -5.494539435e-05 -4.134698773e-04 -6.202023009e-04 3.86 -1.838800245e-05 -1.572323961e-04 -2.358483237e-04 3.88 -4.884299026e-06 -4.967926452e-05 -7.451887781e-05 3.90 -9.493523031e-07 -1.231511612e-05 -1.847267342e-05 3.92 -1.192124060e-07 -2.201510068e-06 -3.302265089e-06 3.94 -7.910632082e-09 -2.489688591e-07 -3.734532886e-07 3.96 -1.961464197e-10 -1.430781515e-08 -2.146172273e-08 3.98 -9.456071312e-13 -2.799252804e-10 -4.198879207e-10 4.00 -2.195200707e-16 -8.308656700e-13 -1.246298505e-12 4.02 -6.631785114e-23 -5.851000975e-17 -8.776501463e-17 4.04 -5.259862584e-38 -4.601368580e-25 -6.902052870e-25 4.06 -3.424981933e-111 -6.938677934e-48 -1.040801690e-47 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 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