# 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 = SSe3 # 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 2.186879904e+04 nan nan 0.88 1.906949186e+04 nan nan 0.90 1.666427368e+04 nan nan 0.92 1.459291434e+04 nan nan 0.94 1.280858010e+04 2.163334179e+04 nan 0.96 1.126989103e+04 1.904817087e+04 2.266955950e+04 0.98 9.940162427e+03 1.680755056e+04 2.002289990e+04 1.00 8.787282796e+03 1.486813902e+04 1.771849625e+04 1.02 7.784393851e+03 1.319153626e+04 1.570613123e+04 1.04 6.910314194e+03 1.173791856e+04 1.394626586e+04 1.06 6.147184133e+03 1.046864309e+04 1.240835152e+04 1.08 5.477930825e+03 9.352349683e+03 1.106448285e+04 1.10 4.887366042e+03 8.367194550e+03 9.886978976e+03 1.12 4.364198290e+03 7.496775671e+03 8.850908542e+03 1.14 3.900386685e+03 6.726264236e+03 7.936845599e+03 1.16 3.489167697e+03 6.041636598e+03 7.129848215e+03 1.18 3.124599921e+03 5.430614311e+03 6.416760213e+03 1.20 2.801883025e+03 4.883698278e+03 5.785307620e+03 1.22 2.517198532e+03 4.393971028e+03 5.224372881e+03 1.24 2.267040936e+03 3.956310032e+03 4.724735864e+03 1.26 2.047701859e+03 3.566712186e+03 4.279244538e+03 1.28 1.855210236e+03 3.221422137e+03 3.881953370e+03 1.30 1.685572655e+03 2.916348228e+03 3.527466147e+03 1.32 1.535086152e+03 2.647074092e+03 3.210686940e+03 1.34 1.400557966e+03 2.409103570e+03 2.926730825e+03 1.36 1.279374407e+03 2.198120143e+03 2.671161151e+03 1.38 1.169521407e+03 2.010138299e+03 2.440281040e+03 1.40 1.069516532e+03 1.841563430e+03 2.231228898e+03 1.42 9.782037737e+02 1.689317773e+03 2.041854510e+03 1.44 8.946299941e+02 1.551002644e+03 1.870362956e+03 1.46 8.180365332e+02 1.424894324e+03 1.715005853e+03 1.48 7.478368068e+02 1.309708643e+03 1.574029350e+03 1.50 6.835613134e+02 1.204342577e+03 1.445752721e+03 1.52 6.247849558e+02 1.107741854e+03 1.328689686e+03 1.54 5.710655628e+02 1.018896999e+03 1.221626076e+03 1.56 5.219361576e+02 9.369135501e+02 1.123581720e+03 1.58 4.769369651e+02 8.610760986e+02 1.033687718e+03 1.60 4.356577860e+02 7.908618092e+02 9.511130625e+02 1.62 3.977666180e+02 7.258987674e+02 8.750917155e+02 1.64 3.630011791e+02 6.659023665e+02 8.049784489e+02 1.66 3.311312896e+02 6.106189718e+02 7.402772204e+02 1.68 3.019346917e+02 5.597951902e+02 6.806147498e+02 1.70 2.751994289e+02 5.131754516e+02 6.256700289e+02 1.72 2.507327326e+02 4.705073181e+02 5.751219358e+02 1.74 2.283655780e+02 4.315431953e+02 5.286430171e+02 1.76 2.079505388e+02 3.960387105e+02 4.859133784e+02 1.78 1.893562723e+02 3.637491873e+02 4.466378370e+02 1.80 1.724644294e+02 3.344250396e+02 4.105598531e+02 1.82 1.571683346e+02 3.078107883e+02 3.774652030e+02 1.84 1.433686007e+02 2.836504627e+02 3.471709601e+02 1.86 1.309660798e+02 2.616951787e+02 3.195050861e+02 1.88 1.198568792e+02 2.417091905e+02 2.942908405e+02 1.90 1.099317233e+02 2.234757201e+02 2.713436414e+02 1.92 1.010776979e+02 2.068041330e+02 2.504750833e+02 1.94 9.318074011e+01 1.915335241e+02 2.314987255e+02 1.96 8.612845572e+01 1.775269780e+02 2.142357663e+02 1.98 7.981293552e+01 1.646605425e+02 1.985191078e+02 2.00 7.413335632e+01 1.528171239e+02 1.841949614e+02 2.02 6.899833650e+01 1.418875263e+02 1.711227031e+02 2.04 6.432753834e+01 1.317732988e+02 1.591739732e+02 2.06 6.005133782e+01 1.223888067e+02 1.482308958e+02 2.08 5.610857812e+01 1.136626370e+02 1.381846178e+02 2.10 5.244461191e+01 1.055386045e+02 1.289366499e+02 2.12 4.901169515e+01 9.797536248e+01 1.204022782e+02 2.14 4.577096292e+01 9.094315545e+01 1.125119703e+02 2.16 4.269373693e+01 8.441826210e+01 1.052081584e+02 2.18 3.976091659e+01 7.837786277e+01 9.843897284e+01 2.20 3.696049408e+01 7.279750373e+01 9.215345503e+01 2.22 3.428449392e+01 6.765059762e+01 8.630063830e+01 2.24 3.172702654e+01 6.290847674e+01 8.083082182e+01 2.26 2.928374284e+01 5.854056106e+01 7.569744233e+01 2.28 2.695160881e+01 5.451467597e+01 7.085914308e+01 2.30 2.472842052e+01 5.079756311e+01 6.628169533e+01 2.32 2.261228791e+01 4.735561158e+01 6.193924875e+01 2.34 2.060137658e+01 4.415580568e+01 5.781434492e+01 2.36 1.869387711e+01 4.116682985e+01 5.389641108e+01 2.38 1.688800935e+01 3.836019568e+01 5.017913579e+01 2.40 1.518200876e+01 3.571119289e+01 4.665785319e+01 2.42 1.357410956e+01 3.319947379e+01 4.332800787e+01 2.44 1.206252839e+01 3.080920752e+01 4.018472416e+01 2.46 1.064544848e+01 2.852890832e+01 3.722276895e+01 2.48 9.321004360e+00 2.635102414e+01 3.443652695e+01 2.50 8.087267175e+00 2.427116569e+01 3.181997067e+01 2.52 6.942230686e+00 2.228694762e+01 2.936663885e+01 2.54 5.883798009e+00 2.039683212e+01 2.706962702e+01 2.56 4.909769219e+00 1.859943287e+01 2.492159380e+01 2.58 4.017829946e+00 1.689332301e+01 2.291478667e+01 2.60 3.205541099e+00 1.527704157e+01 2.104109158e+01 2.62 2.470329915e+00 1.374909623e+01 1.929211047e+01 2.64 1.809482495e+00 1.230795179e+01 1.765926977e+01 2.66 1.220138078e+00 1.095201740e+01 1.613396107e+01 2.68 6.992852604e-01 9.679634401e+00 1.470771147e+01 2.70 2.437604304e-01 8.489064596e+00 1.337237522e+01 2.72 -1.497513267e-01 7.378479387e+00 1.212033162e+01 2.74 -4.847125713e-01 6.345949721e+00 1.094466657e+01 2.76 -7.647268327e-01 5.389437132e+00 9.839311380e+00 2.78 -9.935286470e-01 4.506786065e+00 8.799117124e+00 2.80 -1.174970065e+00 3.695717760e+00 7.819858314e+00 2.82 -1.313003425e+00 2.953825968e+00 6.898181577e+00 2.84 -1.411660229e+00 2.278574853e+00 6.031522757e+00 2.86 -1.475026042e+00 1.667299427e+00 5.217993237e+00 2.88 -1.507211413e+00 1.117208932e+00 4.456211133e+00 2.90 -1.512318931e+00 6.253935833e-01 3.745082179e+00 2.92 -1.494406678e+00 1.888350950e-01 3.083593121e+00 2.94 -1.457448460e+00 -1.955786093e-01 2.470684494e+00 2.96 -1.405291412e+00 -5.310341691e-01 1.905215267e+00 2.98 -1.341611703e+00 -8.207688444e-01 1.385974392e+00 3.00 -1.269869290e+00 -1.068041883e+00 9.116914791e-01 3.02 -1.193262822e+00 -1.276101577e+00 4.810369865e-01 3.04 -1.114685960e+00 -1.448148908e+00 9.261957761e-02 3.06 -1.036686537e+00 -1.587299380e+00 -2.550161750e-01 3.08 -9.614300683e-01 -1.696545548e+00 -5.633913711e-01 3.10 -8.906693097e-01 -1.778723744e+00 -8.340935612e-01 3.12 -8.257216321e-01 -1.836489436e+00 -1.068776629e+00 3.14 -7.674562686e-01 -1.872306030e+00 -1.269159684e+00 3.16 -7.162937727e-01 -1.888451181e+00 -1.437024867e+00 3.18 -6.722204913e-01 -1.887041902e+00 -1.574213978e+00 3.20 -6.348213169e-01 -1.870074542e+00 -1.682623833e+00 3.22 -6.033342030e-01 -1.839468713e+00 -1.764200273e+00 3.24 -5.767293181e-01 -1.797098858e+00 -1.820930756e+00 3.26 -5.538133981e-01 -1.744799166e+00 -1.854835478e+00 3.28 -5.333548349e-01 -1.684340603e+00 -1.867957014e+00 3.30 -5.142168840e-01 -1.617395682e+00 -1.862348457e+00 3.32 -4.954765583e-01 -1.545509545e+00 -1.840060133e+00 3.34 -4.765002373e-01 -1.470082191e+00 -1.803124956e+00 3.36 -4.569521439e-01 -1.392357462e+00 -1.753542570e+00 3.38 -4.367349397e-01 -1.313416716e+00 -1.693262501e+00 3.40 -4.158948179e-01 -1.234177697e+00 -1.624166572e+00 3.42 -3.945389475e-01 -1.155399444e+00 -1.548050950e+00 3.44 -3.727911676e-01 -1.077693643e+00 -1.466608264e+00 3.46 -3.507775938e-01 -1.001542190e+00 -1.381410344e+00 3.48 -3.286238515e-01 -9.273197388e-01 -1.293892223e+00 3.50 -3.064545144e-01 -8.553187126e-01 -1.205338197e+00 3.52 -2.843926527e-01 -7.857730542e-01 -1.116870854e+00 3.54 -2.625593084e-01 -7.188763162e-01 -1.029444121e+00 3.56 -2.410728887e-01 -6.547904638e-01 -9.438415035e-01 3.58 -2.200484736e-01 -5.936446588e-01 -8.606807343e-01 3.60 -1.995970361e-01 -5.355279522e-01 -7.804259359e-01 3.62 -1.798245716e-01 -4.804838230e-01 -7.034080064e-01 3.64 -1.608311370e-01 -4.285141540e-01 -6.298530683e-01 3.66 -1.427098034e-01 -3.795944189e-01 -5.599173334e-01 3.68 -1.255455253e-01 -3.336952215e-01 -4.937246061e-01 3.70 -1.094139397e-01 -2.908029901e-01 -4.314002334e-01 3.72 -9.438010861e-02 -2.509334134e-01 -3.730936263e-01 3.74 -8.049722974e-02 -2.141327644e-01 -3.189822282e-01 3.76 -6.780534598e-02 -1.804656125e-01 -2.692546635e-01 3.78 -5.633009876e-02 -1.499930169e-01 -2.240792939e-01 3.80 -4.608158080e-02 -1.227500529e-01 -1.835716523e-01 3.82 -3.705336096e-02 -9.873064459e-02 -1.477729052e-01 3.84 -2.922177000e-02 -7.788105437e-02 -1.166414608e-01 3.86 -2.254555350e-02 -6.009836575e-02 -9.005221883e-02 3.88 -1.696601366e-02 -4.523117673e-02 -6.779921887e-02 3.90 -1.240777170e-02 -3.308202066e-02 -4.960087749e-02 3.92 -8.780282138e-03 -2.341177245e-02 -3.510811654e-02 3.94 -5.980211652e-03 -1.594632168e-02 -2.391573128e-02 3.96 -3.894750163e-03 -1.038567923e-02 -1.557719388e-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 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