# 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 = Se3Te # 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 2.421623951e+04 nan nan 0.88 2.109636479e+04 nan nan 0.90 1.843050599e+04 nan nan 0.92 1.614626242e+04 nan nan 0.94 1.418606739e+04 2.399811631e+04 nan 0.96 1.250021416e+04 2.113283777e+04 2.508964806e+04 0.98 1.104335714e+04 1.864950264e+04 2.217435040e+04 1.00 9.778705464e+03 1.649399342e+04 1.964509628e+04 1.02 8.677258849e+03 1.462365861e+04 1.744579513e+04 1.04 7.714541885e+03 1.300315827e+04 1.552593022e+04 1.06 6.870315156e+03 1.159825436e+04 1.384170321e+04 1.08 6.127725299e+03 1.037482077e+04 1.235922069e+04 1.10 5.471938279e+03 9.301260290e+03 1.105168772e+04 1.12 4.890316025e+03 8.351475427e+03 9.895507004e+03 1.14 4.372984431e+03 7.506392145e+03 8.870863149e+03 1.16 3.912640753e+03 6.751715421e+03 7.962235017e+03 1.18 3.503799543e+03 6.075945119e+03 7.157163150e+03 1.20 3.141778728e+03 5.470333640e+03 6.444609252e+03 1.22 2.822162547e+03 4.928046971e+03 5.813729125e+03 1.24 2.540491474e+03 4.442865830e+03 5.253883931e+03 1.26 2.292260656e+03 4.008898878e+03 4.755339652e+03 1.28 2.073192207e+03 3.620919482e+03 4.310054609e+03 1.30 1.879430089e+03 3.274500589e+03 3.911996193e+03 1.32 1.707638093e+03 2.965731498e+03 3.556383034e+03 1.34 1.554994549e+03 2.690959678e+03 3.238823170e+03 1.36 1.418954611e+03 2.446825796e+03 2.955183244e+03 1.38 1.297042394e+03 2.230204451e+03 2.701580618e+03 1.40 1.186906042e+03 2.038020415e+03 2.474230558e+03 1.42 1.086555395e+03 1.867208555e+03 2.269445463e+03 1.44 9.945746742e+02 1.714825579e+03 2.083907012e+03 1.46 9.100767006e+02 1.578131136e+03 1.914958290e+03 1.48 8.324769328e+02 1.454615093e+03 1.760589336e+03 1.50 7.613456187e+02 1.342070042e+03 1.619177476e+03 1.52 6.963256596e+02 1.238681085e+03 1.489385155e+03 1.54 6.370628055e+02 1.143046871e+03 1.370199332e+03 1.56 5.831730628e+02 1.054147775e+03 1.260874532e+03 1.58 5.342306097e+02 9.712716864e+02 1.160767680e+03 1.60 4.897638669e+02 8.939418955e+02 1.069208226e+03 1.62 4.492705138e+02 8.218490697e+02 9.854734832e+02 1.64 4.122531213e+02 7.547798008e+02 9.088129042e+02 1.66 3.782659262e+02 6.925540614e+02 8.384823161e+02 1.68 3.469532240e+02 6.349885326e+02 7.737790133e+02 1.70 3.180541341e+02 5.818905756e+02 7.140747300e+02 1.72 2.913728823e+02 5.330639747e+02 6.588424846e+02 1.74 2.667499803e+02 4.883146484e+02 6.076600629e+02 1.76 2.440508861e+02 4.474520746e+02 5.601828438e+02 1.78 2.231597945e+02 4.102839439e+02 5.161209031e+02 1.80 2.039764171e+02 3.766060335e+02 4.752395985e+02 1.82 1.864145050e+02 3.461942684e+02 4.373590030e+02 1.84 1.703970539e+02 3.188036595e+02 4.023379986e+02 1.86 1.558485040e+02 2.941722822e+02 3.700498661e+02 1.88 1.426887538e+02 2.720277853e+02 3.403639646e+02 1.90 1.308313379e+02 2.520952020e+02 3.131401893e+02 1.92 1.201837601e+02 2.341044587e+02 2.882304966e+02 1.94 1.106483833e+02 2.177963621e+02 2.654823728e+02 1.96 1.021236849e+02 2.029283875e+02 2.447432585e+02 1.98 9.450584157e+01 1.892834489e+02 2.258653897e+02 2.00 8.769048870e+01 1.766802328e+02 2.087099723e+02 2.02 8.157439526e+01 1.649771677e+02 1.931490954e+02 2.04 7.605686629e+01 1.540656977e+02 1.790639344e+02 2.06 7.104113231e+01 1.438592882e+02 1.663393209e+02 2.08 6.643664180e+01 1.342878047e+02 1.548574352e+02 2.10 6.216302574e+01 1.252972785e+02 1.444945431e+02 2.12 5.815479932e+01 1.168495871e+02 1.351221071e+02 2.14 5.436431638e+01 1.089192285e+02 1.266107543e+02 2.16 5.076111688e+01 1.014876559e+02 1.188358535e+02 2.18 4.732799418e+01 9.453797197e+01 1.116838071e+02 2.20 4.405589270e+01 8.805224331e+01 1.050573990e+02 2.22 4.093944276e+01 8.201089004e+01 9.887799944e+01 2.24 3.797415051e+01 7.639261064e+01 9.308337696e+01 2.26 3.515546463e+01 7.117436213e+01 8.762276458e+01 2.28 3.247870737e+01 6.633140914e+01 8.245325258e+01 2.30 2.993909126e+01 6.183747221e+01 7.753955075e+01 2.32 2.753172731e+01 5.766500486e+01 7.285504499e+01 2.34 2.525164731e+01 5.378562905e+01 6.838188788e+01 2.36 2.309384548e+01 5.017075107e+01 6.410951130e+01 2.38 2.105334220e+01 4.679235990e+01 6.003195363e+01 2.40 1.912527007e+01 4.362397244e+01 5.614515837e+01 2.42 1.730497943e+01 4.064163116e+01 5.244536799e+01 2.44 1.558815424e+01 3.782478821e+01 4.892866240e+01 2.46 1.397092144e+01 3.515685042e+01 4.559091611e+01 2.48 1.244992845e+01 3.262516445e+01 4.242777164e+01 2.50 1.102235908e+01 3.022035504e+01 3.943460422e+01 2.52 9.685864383e+00 2.793520853e+01 3.660648981e+01 2.54 8.438410574e+00 2.576357934e+01 3.393817865e+01 2.56 7.278086701e+00 2.369978893e+01 3.142407604e+01 2.58 6.202945006e+00 2.173856584e+01 2.905823262e+01 2.60 5.210924995e+00 1.987520099e+01 2.683434669e+01 2.62 4.299842558e+00 1.810567982e+01 2.474578142e+01 2.64 3.467391478e+00 1.642674388e+01 2.278560037e+01 2.66 2.711138088e+00 1.483586315e+01 2.094662420e+01 2.68 2.028514438e+00 1.333110540e+01 1.922151167e+01 2.70 1.416812845e+00 1.191092245e+01 1.760286654e+01 2.72 8.731822374e-01 1.057391673e+01 1.608337003e+01 2.74 3.946265206e-01 9.318669448e+00 1.465593534e+01 2.76 -2.199478958e-02 8.143668588e+00 1.331387577e+01 2.78 -3.799634283e-01 7.047301025e+00 1.205107158e+01 2.80 -6.826964877e-01 6.027852917e+00 1.086211434e+01 2.82 -9.337375309e-01 5.083502850e+00 9.742401574e+00 2.84 -1.136744495e+00 4.212313406e+00 8.688154808e+00 2.86 -1.295474192e+00 3.412223638e+00 7.696343126e+00 2.88 -1.413763262e+00 2.681042843e+00 6.764518074e+00 2.90 -1.495505493e+00 2.016445881e+00 5.890599301e+00 2.92 -1.544625500e+00 1.415970318e+00 5.072679091e+00 2.94 -1.565048849e+00 8.770157307e-01 4.308909583e+00 2.96 -1.560668840e+00 3.968455001e-01 3.597485788e+00 2.98 -1.535310274e+00 -2.740851701e-02 2.936677760e+00 3.00 -1.492690736e+00 -3.987380451e-01 2.324859127e+00 3.02 -1.436380022e+00 -7.202467764e-01 1.760516996e+00 3.04 -1.369758611e+00 -9.951346974e-01 1.242246778e+00 3.06 -1.295976207e+00 -1.226678014e+00 7.687325829e-01 3.08 -1.217911624e+00 -1.418204421e+00 3.387136320e-01 3.10 -1.138135465e+00 -1.573063627e+00 -4.905909967e-02 3.12 -1.058877268e+00 -1.694593268e+00 -3.958673555e-01 3.14 -9.819989598e-01 -1.786080743e+00 -7.030601922e-01 3.16 -9.089766473e-01 -1.850721978e+00 -9.720708337e-01 3.18 -8.408928837e-01 -1.891578839e+00 -1.204416875e+00 3.20 -7.784415499e-01 -1.911537724e+00 -1.401693350e+00 3.22 -7.219472823e-01 -1.913272821e+00 -1.565567383e+00 3.24 -6.714007542e-01 -1.899218309e+00 -1.697775511e+00 3.26 -6.265098602e-01 -1.871554148e+00 -1.800121222e+00 3.28 -5.867647305e-01 -1.832209401e+00 -1.874471489e+00 3.30 -5.515114804e-01 -1.782884585e+00 -1.922752098e+00 3.32 -5.200262394e-01 -1.725089934e+00 -1.946941657e+00 3.34 -4.915787833e-01 -1.660190264e+00 -1.949064230e+00 3.36 -4.654765140e-01 -1.589442225e+00 -1.931180532e+00 3.38 -4.410867490e-01 -1.514011169e+00 -1.895377638e+00 3.40 -4.178467557e-01 -1.434966258e+00 -1.843757217e+00 3.42 -3.952781483e-01 -1.353268247e+00 -1.778422286e+00 3.44 -3.730140527e-01 -1.269768220e+00 -1.701462566e+00 3.46 -3.508265187e-01 -1.185222314e+00 -1.614938537e+00 3.48 -3.286306231e-01 -1.100315714e+00 -1.520864354e+00 3.50 -3.064549764e-01 -1.015689218e+00 -1.421189847e+00 3.52 -2.843926625e-01 -9.319631751e-01 -1.317781888e+00 3.54 -2.625593085e-01 -8.497533460e-01 -1.212405474e+00 3.56 -2.410728887e-01 -7.696739729e-01 -1.106704958e+00 3.58 -2.200484736e-01 -6.923263581e-01 -1.002185915e+00 3.60 -1.995970361e-01 -6.182762438e-01 -9.001982147e-01 3.62 -1.798245716e-01 -5.480278452e-01 -8.019209570e-01 3.64 -1.608311370e-01 -4.820027902e-01 -7.083499727e-01 3.66 -1.427098034e-01 -4.205274478e-01 -6.202887072e-01 3.68 -1.255455253e-01 -3.638269228e-01 -5.383433542e-01 3.70 -1.094139397e-01 -3.120232811e-01 -4.629231788e-01 3.72 -9.438010861e-02 -2.651375145e-01 -3.942469816e-01 3.74 -8.049722974e-02 -2.230957936e-01 -3.323565526e-01 3.76 -6.780534598e-02 -1.857405392e-01 -2.771376496e-01 3.78 -5.633009876e-02 -1.528463852e-01 -2.283483485e-01 3.80 -4.608158080e-02 -1.241402792e-01 -1.856534154e-01 3.82 -3.705336096e-02 -9.932375038e-02 -1.486615893e-01 3.84 -2.922177000e-02 -7.809395519e-02 -1.169606005e-01 3.86 -2.254555350e-02 -6.015905476e-02 -9.014321838e-02 3.88 -1.696601366e-02 -4.524376993e-02 -6.781810505e-02 3.90 -1.240777170e-02 -3.308367883e-02 -4.960336453e-02 3.92 -8.780282138e-03 -2.341188254e-02 -3.510828166e-02 3.94 -5.980211652e-03 -1.594632411e-02 -2.391573492e-02 3.96 -3.894750163e-03 -1.038567924e-02 -1.557719389e-02 3.98 -2.405839600e-03 -6.415472307e-03 -9.622796126e-03 4.00 -1.395180032e-03 -3.720453342e-03 -5.580569699e-03 4.02 -7.497029091e-04 -1.999201797e-03 -2.998778109e-03 4.04 -3.670033353e-04 -9.786744984e-04 -1.468007365e-03 4.06 -1.600394140e-04 -4.267716271e-04 -6.401568485e-04 4.08 -6.031224022e-05 -1.608326269e-04 -2.412488840e-04 4.10 -1.883691649e-05 -5.023177647e-05 -7.534766128e-05 4.12 -4.593388679e-06 -1.224903645e-05 -1.837355456e-05 4.14 -8.009209198e-07 -2.135789119e-06 -3.203683677e-06 4.16 -8.722920775e-08 -2.326112207e-07 -3.489168310e-07 4.18 -4.766078249e-09 -1.270954200e-08 -1.906431300e-08 4.20 -8.931095534e-11 -2.381625476e-10 -3.572438213e-10 4.22 -2.785438898e-13 -7.427837062e-13 -1.114175559e-12 4.24 -3.026957562e-17 -8.071886833e-17 -1.210783025e-16 4.26 -1.848333267e-24 -4.928888713e-24 -7.393333069e-24 4.28 -1.072751416e-41 -2.860670444e-41 -4.291005666e-41 4.30 -2.702619953e-137 -7.206986540e-137 -1.081047981e-136 4.32 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.34 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.36 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.38 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.40 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.42 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.44 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.46 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.48 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.50 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.52 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.54 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.56 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.58 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.60 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