# 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 = CdHg3 # 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 8.337794553e+03 nan nan 0.88 7.271758316e+03 nan nan 0.90 6.360857747e+03 nan nan 0.92 5.579645778e+03 nan nan 0.94 4.906988551e+03 8.233867258e+03 nan 0.96 4.326083909e+03 7.256886026e+03 8.583688828e+03 0.98 3.823228002e+03 6.413869172e+03 7.590343668e+03 1.00 3.386978047e+03 5.685098615e+03 6.732714685e+03 1.02 3.007359384e+03 5.053429904e+03 5.990254679e+03 1.04 2.675691964e+03 4.504588145e+03 5.343801958e+03 1.06 2.384976983e+03 4.025994403e+03 4.776605820e+03 1.08 2.129692112e+03 3.605984883e+03 4.276084225e+03 1.10 1.905134755e+03 3.234194126e+03 3.833369564e+03 1.12 1.707142034e+03 2.902734399e+03 3.441470768e+03 1.14 1.532189043e+03 2.606553066e+03 3.094191046e+03 1.16 1.377407233e+03 2.342371803e+03 2.785918002e+03 1.18 1.240404638e+03 2.107480230e+03 2.511757661e+03 1.20 1.118986702e+03 1.899194635e+03 2.267517325e+03 1.22 1.011096562e+03 1.714679649e+03 2.049598349e+03 1.24 9.149522179e+02 1.551011381e+03 1.854874541e+03 1.26 8.291067026e+02 1.405406687e+03 1.680608585e+03 1.28 7.523598070e+02 1.275457741e+03 1.524539070e+03 1.30 6.836349698e+02 1.159218963e+03 1.384888379e+03 1.32 6.219108202e+02 1.055115849e+03 1.260138398e+03 1.34 5.662352088e+02 9.618390474e+02 1.148796919e+03 1.36 5.157767587e+02 8.783005317e+02 1.049329138e+03 1.38 4.698481577e+02 8.035408019e+02 9.601774621e+02 1.40 4.279021482e+02 7.365981319e+02 8.798192569e+02 1.42 3.895250750e+02 6.764612459e+02 8.068800340e+02 1.44 3.544232454e+02 6.221089076e+02 7.402626334e+02 1.46 3.223904302e+02 5.725852855e+02 6.792049872e+02 1.48 2.932545466e+02 5.270818945e+02 6.232119325e+02 1.50 2.668375408e+02 4.849920082e+02 5.719160259e+02 1.52 2.429461284e+02 4.459090526e+02 5.249836100e+02 1.54 2.213734294e+02 4.095755728e+02 4.820958669e+02 1.56 2.019032349e+02 3.758173948e+02 4.429518263e+02 1.58 1.843166086e+02 3.444931486e+02 4.072623060e+02 1.60 1.684003987e+02 3.154721818e+02 3.747362783e+02 1.62 1.539562662e+02 2.886339909e+02 3.450735854e+02 1.64 1.408082943e+02 2.638720764e+02 3.179712804e+02 1.66 1.288083142e+02 2.410937907e+02 2.931386730e+02 1.68 1.178395183e+02 2.202145899e+02 2.703152549e+02 1.70 1.078162757e+02 2.011498613e+02 2.492857445e+02 1.72 9.867561514e+01 1.838095816e+02 2.298849260e+02 1.74 9.036375483e+01 1.680968185e+02 2.119880395e+02 1.76 8.282724656e+01 1.539077558e+02 1.954919026e+02 1.78 7.601068470e+01 1.411321653e+02 1.802989057e+02 1.80 6.985701726e+01 1.296542923e+02 1.663111102e+02 1.82 6.430842295e+01 1.193542596e+02 1.534316092e+02 1.84 5.930745238e+01 1.101100918e+02 1.415681339e+02 1.86 5.479831443e+01 1.018003983e+02 1.306370375e+02 1.88 5.072805363e+01 9.430760680e+01 1.205665965e+02 1.90 4.704725321e+01 8.752141345e+01 1.112982449e+02 1.92 4.370999314e+01 8.134194145e+01 1.027846225e+02 1.94 4.067327338e+01 7.568220776e+01 9.498481456e+01 1.96 3.789673091e+01 7.046986467e+01 8.785922058e+01 1.98 3.534335235e+01 6.564824244e+01 8.136660068e+01 2.00 3.298081433e+01 6.117610007e+01 7.546332003e+01 2.02 3.078246856e+01 5.702513065e+01 7.010339709e+01 2.04 2.872728769e+01 5.317536578e+01 6.523875912e+01 2.06 2.679867326e+01 4.961036024e+01 6.081970790e+01 2.08 2.498282279e+01 4.631407000e+01 5.679567567e+01 2.10 2.326777449e+01 4.326971827e+01 5.311634727e+01 2.12 2.164346347e+01 4.045964003e+01 4.973318726e+01 2.14 2.010203900e+01 3.786533386e+01 4.660131746e+01 2.16 1.863778943e+01 3.546759582e+01 4.368152799e+01 2.18 1.724662900e+01 3.324675739e+01 4.094200072e+01 2.20 1.592547236e+01 3.118305018e+01 3.835918084e+01 2.22 1.467182772e+01 2.925711084e+01 3.591733080e+01 2.24 1.348358026e+01 2.745061809e+01 3.360677129e+01 2.26 1.235881904e+01 2.574701525e+01 3.142147315e+01 2.28 1.129572385e+01 2.413221671e+01 2.935696042e+01 2.30 1.029253065e+01 2.259513744e+01 2.740911285e+01 2.32 9.347526890e+00 2.112785609e+01 2.557377481e+01 2.34 8.459043252e+00 1.972527715e+01 2.384669083e+01 2.36 7.625443134e+00 1.838433885e+01 2.222348201e+01 2.38 6.845112508e+00 1.710306386e+01 2.069962546e+01 2.40 6.116450430e+00 1.587985468e+01 1.927043970e+01 2.42 5.437860210e+00 1.471320637e+01 1.793107806e+01 2.44 4.807741263e+00 1.360166878e+01 1.667653201e+01 2.46 4.224481682e+00 1.254385180e+01 1.550164690e+01 2.48 3.686451573e+00 1.153842020e+01 1.440115278e+01 2.50 3.191997222e+00 1.058408528e+01 1.336971266e+01 2.52 2.739436145e+00 9.679596767e+00 1.240199037e+01 2.54 2.327053111e+00 8.823734936e+00 1.149273883e+01 2.56 1.953097212e+00 8.015303181e+00 1.063690736e+01 2.58 1.615780076e+00 7.253120868e+00 9.829763443e+00 2.60 1.313275325e+00 6.536016541e+00 9.067019104e+00 2.62 1.043719359e+00 5.862821461e+00 8.344946866e+00 2.64 8.052135731e-01 5.232363514e+00 7.660464234e+00 2.66 5.958280951e-01 4.643461478e+00 7.011163561e+00 2.68 4.136071230e-01 4.094919708e+00 6.395268678e+00 2.70 2.565759223e-01 3.585523254e+00 5.811515479e+00 2.72 1.227495268e-01 3.114033457e+00 5.258980235e+00 2.74 1.014315341e-02 2.679184090e+00 4.736905840e+00 2.76 -8.321570036e-02 2.279678084e+00 4.244580243e+00 2.78 -1.592735485e-01 1.914184921e+00 3.781287881e+00 2.80 -2.199357365e-01 1.581338763e+00 3.346307709e+00 2.82 -2.670499942e-01 1.279737406e+00 2.938919580e+00 2.84 -3.023890163e-01 1.007942142e+00 2.558404887e+00 2.86 -3.276324690e-01 7.644786338e-01 2.204044174e+00 2.88 -3.443489512e-01 5.478388914e-01 1.875114385e+00 2.90 -3.539785930e-01 3.564844529e-01 1.570886275e+00 2.92 -3.578171636e-01 1.888508650e-01 1.290621990e+00 2.94 -3.570027769e-01 4.335354576e-02 1.033572855e+00 2.96 -3.525065211e-01 -8.160490177e-02 7.989773585e-01 2.98 -3.451285522e-01 -1.876258816e-01 5.860593727e-01 3.00 -3.355013205e-01 -2.763045001e-01 3.940266085e-01 3.02 -3.241014991e-01 -3.492178129e-01 2.220693397e-01 3.04 -3.112716715e-01 -4.079117460e-01 6.935941027e-02 3.06 -2.972516792e-01 -4.538869071e-01 -6.495044750e-02 3.08 -2.822175527e-01 -4.885836270e-01 -1.817269605e-01 3.10 -2.663232405e-01 -5.133667178e-01 -2.818563014e-01 3.12 -2.497375835e-01 -5.295106136e-01 -3.662436868e-01 3.14 -2.326676709e-01 -5.381857564e-01 -4.358125630e-01 3.16 -2.153619782e-01 -5.404472893e-01 -4.915033499e-01 3.18 -1.980936910e-01 -5.372272879e-01 -5.342717228e-01 3.20 -1.811337241e-01 -5.293318446e-01 -5.650864077e-01 3.22 -1.647268902e-01 -5.174442323e-01 -5.849264750e-01 3.24 -1.490783851e-01 -5.021350217e-01 -5.947781169e-01 3.26 -1.343481316e-01 -4.838792894e-01 -5.956309038e-01 3.28 -1.206483064e-01 -4.630799008e-01 -5.884735211e-01 3.30 -1.080424424e-01 -4.400943599e-01 -5.742889983e-01 3.32 -9.654625918e-02 -4.152612562e-01 -5.540494520e-01 3.34 -8.613067225e-02 -3.889215682e-01 -5.287103795e-01 3.36 -7.672743155e-02 -3.614308142e-01 -4.992045514e-01 3.38 -6.823772442e-02 -3.331605871e-01 -4.664355685e-01 3.40 -6.054377160e-02 -3.044914389e-01 -4.312711646e-01 3.42 -5.352286894e-02 -2.758013848e-01 -3.945363524e-01 3.44 -4.706245367e-02 -2.474542670e-01 -3.570065277e-01 3.46 -4.107373643e-02 -2.197907062e-01 -3.194006634e-01 3.48 -3.550067196e-02 -1.931222216e-01 -2.823747389e-01 3.50 -3.032131270e-02 -1.677272246e-01 -2.465155659e-01 3.52 -2.554067228e-02 -1.438475921e-01 -2.123351836e-01 3.54 -2.117789405e-02 -1.216854824e-01 -1.802660069e-01 3.56 -1.725346827e-02 -1.014004668e-01 -1.506569235e-01 3.58 -1.378122975e-02 -8.310711880e-02 -1.237705454e-01 3.60 -1.076533849e-02 -6.687322984e-02 -9.978183575e-02 3.62 -8.199633637e-03 -5.271884939e-02 -7.877834546e-02 3.64 -6.067691296e-03 -4.061637854e-02 -6.076231360e-02 3.66 -4.343285282e-03 -3.049196906e-02 -4.565489992e-02 3.68 -2.991304578e-03 -2.222849133e-02 -3.330282031e-02 3.70 -1.969191538e-03 -1.567031574e-02 -2.348762720e-02 3.72 -1.228929947e-03 -1.063008474e-02 -1.593778806e-02 3.74 -7.195506254e-04 -6.897511637e-03 -1.034352988e-02 3.76 -3.900312580e-04 -4.250005961e-03 -6.374098736e-03 3.78 -1.923510938e-04 -2.464585349e-03 -3.696614209e-03 3.80 -8.433892396e-05 -1.330118194e-03 -1.995112527e-03 3.82 -3.186456757e-05 -6.585372760e-04 -9.877929507e-04 3.84 -9.931732119e-06 -2.934338822e-04 -4.401488131e-04 3.86 -2.399225797e-06 -1.145956994e-04 -1.718933239e-04 3.88 -4.094116414e-07 -3.774623382e-05 -5.661933424e-05 3.90 -4.272820115e-08 -9.897451914e-06 -1.484617718e-05 3.92 -2.152663574e-09 -1.889350756e-06 -2.834026121e-06 3.94 -3.448216569e-11 -2.279657927e-07 -3.419486890e-07 3.96 -7.793539088e-14 -1.378496586e-08 -2.067744879e-08 3.98 -4.033124535e-18 -2.774036722e-10 -4.161055083e-10 4.00 -2.972405702e-26 -8.302802831e-13 -1.245420425e-12 4.02 -1.302264461e-47 -5.850983290e-17 -8.776474935e-17 4.04 -1.605867775e-254 -4.601368580e-25 -6.902052870e-25 4.06 0.000000000e+00 -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 0.000000000e+00 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