# 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 = SeTe3 # 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 2.813448614e+04 nan nan 0.88 2.451751169e+04 nan nan 0.90 2.144242152e+04 nan nan 0.92 1.880836403e+04 nan nan 0.94 1.653615169e+04 2.787813776e+04 nan 0.96 1.456641223e+04 2.455952148e+04 2.917668494e+04 0.98 1.285449672e+04 2.169768102e+04 2.580555107e+04 1.00 1.136644926e+04 1.921505449e+04 2.287886222e+04 1.02 1.007372311e+04 1.705259654e+04 2.032526811e+04 1.04 8.948611656e+03 1.516668270e+04 1.808641157e+04 1.06 7.966257673e+03 1.352017749e+04 1.611448608e+04 1.08 7.106505007e+03 1.207897569e+04 1.437436347e+04 1.10 6.351997294e+03 1.081176771e+04 1.284008764e+04 1.12 5.687200785e+03 9.691919805e+03 1.148840803e+04 1.14 5.098883115e+03 8.699686521e+03 1.029762062e+04 1.16 4.576096727e+03 7.820435649e+03 9.248068799e+03 1.18 4.109969313e+03 7.041516159e+03 8.321801928e+03 1.20 3.693452842e+03 6.350817656e+03 7.502334109e+03 1.22 3.321088642e+03 5.736567433e+03 6.775091663e+03 1.24 2.988410058e+03 5.187530153e+03 6.127739053e+03 1.26 2.691609219e+03 4.693846001e+03 5.549827278e+03 1.28 2.427549730e+03 4.248267666e+03 5.032892369e+03 1.30 2.193587806e+03 3.846313795e+03 4.570486211e+03 1.32 1.987133075e+03 3.484978135e+03 4.157269410e+03 1.34 1.805307607e+03 3.161520433e+03 3.788165418e+03 1.36 1.644891055e+03 2.873109741e+03 3.458105785e+03 1.38 1.502517616e+03 2.616673714e+03 3.162087186e+03 1.40 1.375034927e+03 2.388824231e+03 2.895385583e+03 1.42 1.259911616e+03 2.185974868e+03 2.653747860e+03 1.44 1.155437495e+03 2.004575959e+03 2.433658637e+03 1.46 1.060508562e+03 1.841365375e+03 2.232656856e+03 1.48 9.742371636e+02 1.693545317e+03 2.049233889e+03 1.50 8.957601624e+02 1.558851681e+03 1.882272633e+03 1.52 8.242183416e+02 1.435556717e+03 1.730638790e+03 1.54 7.587995583e+02 1.322431439e+03 1.593106707e+03 1.56 6.987840826e+02 1.218629824e+03 1.468375826e+03 1.58 6.435583991e+02 1.123481464e+03 1.355087625e+03 1.60 5.926043580e+02 1.036320842e+03 1.251860822e+03 1.62 5.454837593e+02 9.564344793e+02 1.157369935e+03 1.64 5.018225272e+02 8.830830911e+02 1.070445706e+03 1.66 4.613114704e+02 8.155492846e+02 9.901435073e+02 1.68 4.237226322e+02 7.531923573e+02 9.157391627e+02 1.70 3.889007384e+02 6.954917837e+02 8.466727890e+02 1.72 3.567211284e+02 6.420587778e+02 7.825089921e+02 1.74 3.270546229e+02 5.926120845e+02 7.229178885e+02 1.76 2.997593426e+02 5.469364185e+02 6.676365378e+02 1.78 2.746833140e+02 5.048399446e+02 6.164314535e+02 1.80 2.516694665e+02 4.661227266e+02 5.690833173e+02 1.82 2.305620917e+02 4.305664701e+02 5.253756031e+02 1.84 2.112136545e+02 3.979382954e+02 4.850831873e+02 1.86 1.934899253e+02 3.679992465e+02 4.479699860e+02 1.88 1.772713125e+02 3.405141778e+02 4.137958268e+02 1.90 1.624503157e+02 3.152603223e+02 3.823274466e+02 1.92 1.489283687e+02 2.920317535e+02 3.533504241e+02 1.94 1.366150869e+02 2.706394882e+02 3.266786292e+02 1.96 1.254280983e+02 2.509113909e+02 3.021567858e+02 1.98 1.152904923e+02 2.326964971e+02 2.796534902e+02 2.00 1.061265333e+02 2.158713288e+02 2.590478426e+02 2.02 9.785861475e+01 2.003396542e+02 2.402180353e+02 2.04 9.040697156e+01 1.860220047e+02 2.230365058e+02 2.06 8.369109151e+01 1.728422171e+02 2.073687756e+02 2.08 7.763196507e+01 1.607207413e+02 1.930736598e+02 2.10 7.215497056e+01 1.495744386e+02 1.800055640e+02 2.12 6.719256551e+01 1.393182869e+02 1.680193465e+02 2.14 6.268538625e+01 1.298675870e+02 1.569771373e+02 2.16 5.858102529e+01 1.211404029e+02 1.467560535e+02 2.18 5.483150066e+01 1.130598889e+02 1.372551129e+02 2.20 5.139136292e+01 1.055561480e+02 1.283988959e+02 2.22 4.821698563e+01 9.856753485e+01 1.201357723e+02 2.24 4.526664629e+01 9.204170197e+01 1.124306933e+02 2.26 4.250159359e+01 8.593652915e+01 1.052558909e+02 2.28 3.988793478e+01 8.022019826e+01 9.858417127e+01 2.30 3.739853390e+01 7.486940480e+01 9.238647490e+01 2.32 3.501414042e+01 6.986591585e+01 8.663164155e+01 2.34 3.272316449e+01 6.519308843e+01 8.128661606e+01 2.36 3.051993628e+01 6.083395040e+01 7.631681861e+01 2.38 2.840209893e+01 5.677084987e+01 7.168672220e+01 2.40 2.636841195e+01 5.298566610e+01 6.736067646e+01 2.42 2.441778057e+01 4.946007652e+01 6.330399212e+01 2.44 2.254912756e+01 4.617580594e+01 5.948424793e+01 2.46 2.076141733e+01 4.311480951e+01 5.587269624e+01 2.48 1.905365109e+01 4.025934205e+01 5.244553109e+01 2.50 1.742485517e+01 3.759190998e+01 4.918468166e+01 2.52 1.587406926e+01 3.509518526e+01 4.607778402e+01 2.54 1.440033490e+01 3.275203719e+01 4.311717139e+01 2.56 1.300268413e+01 3.054581806e+01 4.029814160e+01 2.58 1.168012828e+01 2.846089102e+01 3.761720139e+01 2.60 1.043164705e+01 2.648325624e+01 3.507098242e+01 2.62 9.256177638e+00 2.460113042e+01 3.265590943e+01 2.64 8.152604247e+00 2.280535689e+01 3.036818549e+01 2.66 7.119747763e+00 2.108951484e+01 2.820380494e+01 2.68 6.156355805e+00 1.944963344e+01 2.615856411e+01 2.70 5.261093151e+00 1.788353862e+01 2.422807996e+01 2.72 4.432532642e+00 1.639003647e+01 2.240781764e+01 2.74 3.669146659e+00 1.496824424e+01 2.069312636e+01 2.76 2.969299291e+00 1.361726540e+01 1.907928165e+01 2.78 2.331239319e+00 1.233613056e+01 1.756153039e+01 2.80 1.753094172e+00 1.112380669e+01 1.613513327e+01 2.82 1.232865025e+00 9.979194494e+00 1.479539846e+01 2.84 7.684232165e-01 8.901119844e+00 1.353770043e+01 2.86 3.575081928e-01 7.888325344e+00 1.235748153e+01 2.88 -2.272816076e-03 6.939462525e+00 1.125024103e+01 2.90 -3.134431557e-01 6.053084898e+00 1.021152574e+01 2.92 -5.786529187e-01 5.227642049e+00 9.236943399e+00 2.94 -8.006726994e-01 4.461475030e+00 8.322215537e+00 2.96 -9.823847123e-01 3.752813329e+00 7.463268486e+00 2.98 -1.126771074e+00 3.099773726e+00 6.656340957e+00 3.00 -1.236899080e+00 2.500361410e+00 5.898083432e+00 3.02 -1.315903355e+00 1.952473742e+00 5.185633731e+00 3.04 -1.366964806e+00 1.453907089e+00 4.516656021e+00 3.06 -1.393286408e+00 1.002367142e+00 3.889329807e+00 3.08 -1.398065926e+00 5.954831297e-01 3.302280977e+00 3.10 -1.384465805e+00 2.308262328e-01 2.754460632e+00 3.12 -1.355580600e+00 -9.406764043e-02 2.244996155e+00 3.14 -1.314402444e+00 -3.816708452e-01 1.773054273e+00 3.16 -1.263785245e+00 -6.344333253e-01 1.337753437e+00 3.18 -1.206408434e+00 -8.547494866e-01 9.381355562e-01 3.20 -1.144741284e+00 -1.044924703e+00 5.731725940e-01 3.22 -1.081008979e+00 -1.207144600e+00 2.417762841e-01 3.24 -1.017161786e+00 -1.343451359e+00 -5.719916272e-02 3.26 -9.548488702e-01 -1.455732042e+00 -3.249569450e-01 3.28 -8.953985007e-01 -1.545723753e+00 -5.627572080e-01 3.30 -8.398066077e-01 -1.615038433e+00 -7.719157632e-01 3.32 -7.887358884e-01 -1.665205450e+00 -9.538018982e-01 3.34 -7.425277685e-01 -1.697723160e+00 -1.109835195e+00 3.36 -7.012293396e-01 -1.714103870e+00 -1.241481287e+00 3.38 -6.646364921e-01 -1.715895760e+00 -1.350246474e+00 3.40 -6.323523450e-01 -1.704675593e+00 -1.437671166e+00 3.42 -6.038563169e-01 -1.682023270e+00 -1.505322079e+00 3.44 -5.785741364e-01 -1.649496448e+00 -1.554783204e+00 3.46 -5.559348216e-01 -1.608612447e+00 -1.587645532e+00 3.48 -5.354015440e-01 -1.560833556e+00 -1.605495578e+00 3.50 -5.164738572e-01 -1.507552545e+00 -1.609902801e+00 3.52 -4.986766377e-01 -1.450078057e+00 -1.602406026e+00 3.54 -4.815606618e-01 -1.389620186e+00 -1.584499072e+00 3.56 -4.647255421e-01 -1.327276674e+00 -1.557615810e+00 3.58 -4.478519155e-01 -1.264020240e+00 -1.523115003e+00 3.60 -4.307241576e-01 -1.200687638e+00 -1.482265321e+00 3.62 -4.132335236e-01 -1.137971167e+00 -1.436231092e+00 3.64 -3.953605836e-01 -1.076413468e+00 -1.386059432e+00 3.66 -3.771445848e-01 -1.016406522e+00 -1.332669612e+00 3.68 -3.586532097e-01 -9.581958716e-01 -1.276845662e+00 3.70 -3.399634049e-01 -9.018910100e-01 -1.219233433e+00 3.72 -3.211539716e-01 -8.474827256e-01 -1.160343449e+00 3.74 -3.023039417e-01 -7.948676819e-01 -1.100560909e+00 3.76 -2.834922499e-01 -7.438796846e-01 -1.040163930e+00 3.78 -2.647974863e-01 -6.943258111e-01 -9.793503739e-01 3.80 -2.462976091e-01 -6.460239951e-01 -9.182722279e-01 3.82 -2.280696119e-01 -5.988371401e-01 -8.570743506e-01 3.84 -2.101891440e-01 -5.526980487e-01 -7.959318315e-01 3.86 -1.927300797e-01 -5.076202671e-01 -7.350780705e-01 3.88 -1.757640354e-01 -4.636928643e-01 -6.748157454e-01 3.90 -1.593598333e-01 -4.210616690e-01 -6.155068843e-01 3.92 -1.435829102e-01 -3.799037911e-01 -5.575463593e-01 3.94 -1.284946734e-01 -3.404039788e-01 -5.013309627e-01 3.96 -1.141518047e-01 -3.027388954e-01 -4.472364347e-01 3.98 -1.006055169e-01 -2.670695905e-01 -3.956057605e-01 4.00 -8.790077058e-02 -2.335381791e-01 -3.467437809e-01 4.02 -7.607546095e-02 -2.022655169e-01 -3.009134623e-01 4.04 -6.515958956e-02 -1.733489767e-01 -2.583325089e-01 4.06 -5.517444121e-02 -1.468602884e-01 -2.191702692e-01 4.08 -4.613179251e-02 -1.228435125e-01 -1.835450404e-01 4.10 -3.803318649e-02 -1.013132348e-01 -1.515218943e-01 4.12 -3.086931613e-02 -8.225309326e-02 -1.231111721e-01 4.14 -2.461956942e-02 -6.561477005e-02 -9.826781796e-02 4.16 -1.925179814e-02 -5.131760494e-02 -7.689174826e-02 4.18 -1.472238144e-02 -3.924900868e-02 -5.882947801e-02 4.20 -1.097666118e-02 -2.926586995e-02 -4.387724549e-02 4.22 -7.949826946e-03 -2.119715104e-02 -3.178587819e-02 4.24 -5.568320147e-03 -1.484784692e-02 -2.226761731e-02 4.26 -3.751805064e-03 -1.000442658e-02 -1.500504380e-02 4.28 -2.415714094e-03 -6.441770863e-03 -9.662106070e-03 4.30 -1.474311082e-03 -3.931455771e-03 -5.897016816e-03 4.32 -8.441283940e-04 -2.250998526e-03 -3.376454375e-03 4.34 -4.475251226e-04 -1.193398050e-03 -1.790087680e-03 4.36 -2.160012293e-04 -5.760028848e-04 -8.640027041e-04 4.38 -9.281711015e-05 -2.475122423e-04 -3.712681512e-04 4.40 -3.445811614e-05 -9.188830498e-05 -1.378324379e-04 4.42 -1.060433507e-05 -2.827822657e-05 -4.241733870e-05 4.44 -2.551263263e-06 -6.803368693e-06 -1.020505300e-05 4.46 -4.403738082e-07 -1.174330155e-06 -1.761495232e-06 4.48 -4.783788896e-08 -1.275677039e-07 -1.913515558e-07 4.50 -2.649752723e-09 -7.066007261e-09 -1.059901089e-08 4.52 -5.217143248e-11 -1.391238199e-10 -2.086857299e-10 4.54 -1.860005621e-13 -4.960014989e-13 -7.440022484e-13 4.56 -2.890825799e-17 -7.708868797e-17 -1.156330320e-16 4.58 -5.273596167e-24 -1.406292311e-23 -2.109438467e-23 4.60 -3.617002431e-39 -9.645339815e-39 -1.446800972e-38 4.62 -7.033445854e-105 -1.875585561e-104 -2.813378342e-104 4.64 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.66 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.68 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.70 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.72 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.74 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.76 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.78 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.80 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.82 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.84 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.86 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.88 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.90 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.92 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.94 0.000000000e+00 0.000000000e+00 0.000000000e+00 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