# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2012--Ward-D-K-Zhou-X-W-Wong-B-M-et-al--Cd-Te-Zn # implementation = 2012--Ward-D-K--Cd-Te-Zn--LAMMPS--ipr1 # composition = CdZn3 # 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 2.00 1.669751417e+00 5.208423720e+00 7.244462891e+00 2.02 1.361893469e+00 4.656078069e+00 6.574588250e+00 2.04 1.081378489e+00 4.147281173e+00 5.948914264e+00 2.06 8.277799746e-01 3.677536234e+00 5.364440038e+00 2.08 5.992353595e-01 3.242260850e+00 4.818382990e+00 2.10 3.929251534e-01 2.839365010e+00 4.308202210e+00 2.12 2.053703538e-01 2.466822196e+00 3.831628540e+00 2.14 3.505796112e-02 2.122980477e+00 3.386775710e+00 2.16 -1.192996102e-01 1.805994750e+00 2.972013241e+00 2.18 -2.587552872e-01 1.513243361e+00 2.586731340e+00 2.20 -3.843600789e-01 1.242944336e+00 2.230615912e+00 2.22 -4.968840206e-01 9.933073525e-01 1.903327954e+00 2.24 -5.969506380e-01 7.629168775e-01 1.603362261e+00 2.26 -6.851691931e-01 5.504424860e-01 1.327829514e+00 2.28 -7.619199142e-01 3.547020699e-01 1.073512451e+00 2.30 -8.292143841e-01 1.747665575e-01 8.383556373e-01 2.32 -8.869645041e-01 1.004118985e-02 6.217971878e-01 2.34 -9.365619338e-01 -1.398221407e-01 4.233953344e-01 2.36 -9.786649255e-01 -2.752665423e-01 2.425507096e-01 2.38 -1.013861613e+00 -3.971478981e-01 7.854878189e-02 2.40 -1.042707575e+00 -5.067475041e-01 -7.103512792e-02 2.42 -1.065723783e+00 -6.054572931e-01 -2.067878015e-01 2.44 -1.083394074e+00 -6.942345665e-01 -3.304922592e-01 2.46 -1.096165322e+00 -7.737285288e-01 -4.428569689e-01 2.48 -1.104429266e+00 -8.445531550e-01 -5.445464329e-01 2.50 -1.108635447e+00 -9.072878640e-01 -6.361861873e-01 2.52 -1.109083083e+00 -9.624768441e-01 -7.183700159e-01 2.54 -1.106119470e+00 -1.010627105e+00 -7.916704120e-01 2.56 -1.100063413e+00 -1.052206812e+00 -8.566527589e-01 2.58 -1.091211122e+00 -1.087647250e+00 -9.138922278e-01 2.60 -1.079836936e+00 -1.117352668e+00 -9.639895203e-01 2.62 -1.066193774e+00 -1.141654171e+00 -1.007576615e+00 2.64 -1.050513404e+00 -1.161121254e+00 -1.045300757e+00 2.66 -1.033006532e+00 -1.175994519e+00 -1.077778665e+00 2.68 -1.013862684e+00 -1.186674993e+00 -1.105532071e+00 2.70 -9.932498479e-01 -1.193524986e+00 -1.128941920e+00 2.72 -9.713139211e-01 -1.196846989e+00 -1.148259907e+00 2.74 -9.481778726e-01 -1.196925543e+00 -1.163610213e+00 2.76 -9.239407966e-01 -1.194027923e+00 -1.175345976e+00 2.78 -8.986768435e-01 -1.188404647e+00 -1.183497929e+00 2.80 -8.724342701e-01 -1.180290003e+00 -1.188226453e+00 2.82 -8.452349701e-01 -1.169902389e+00 -1.189790182e+00 2.84 -8.170750726e-01 -1.157444634e+00 -1.188436125e+00 2.86 -7.879276187e-01 -1.143104174e+00 -1.184401754e+00 2.88 -7.577487920e-01 -1.127053145e+00 -1.177917183e+00 2.90 -7.264900050e-01 -1.109448340e+00 -1.169207061e+00 2.92 -6.941188308e-01 -1.090431088e+00 -1.158491480e+00 2.94 -6.606523921e-01 -1.070127042e+00 -1.145985032e+00 2.96 -6.262062616e-01 -1.048645898e+00 -1.131893472e+00 2.98 -5.910584528e-01 -1.026081180e+00 -1.116407983e+00 3.00 -5.557187158e-01 -1.002510144e+00 -1.099698463e+00 3.02 -5.209753382e-01 -9.779941095e-01 -1.081908164e+00 3.04 -4.878675912e-01 -9.525794818e-01 -1.063137371e+00 3.06 -4.575221749e-01 -9.263000195e-01 -1.043522680e+00 3.08 -4.308389585e-01 -8.991811195e-01 -1.023123968e+00 3.10 -4.081397443e-01 -8.712470431e-01 -1.001999365e+00 3.12 -3.890172674e-01 -8.425322880e-01 -9.802445501e-01 3.14 -3.725484229e-01 -8.130980677e-01 -9.579548195e-01 3.16 -3.575886024e-01 -7.830540222e-01 -9.352180877e-01 3.18 -3.438513710e-01 -7.525829963e-01 -9.121150291e-01 3.20 -3.306218613e-01 -7.219622976e-01 -8.887191473e-01 3.22 -3.176422539e-01 -6.915690083e-01 -8.650968151e-01 3.24 -3.048646901e-01 -6.618527119e-01 -8.413072347e-01 3.26 -2.922800831e-01 -6.332643528e-01 -8.174023587e-01 3.28 -2.798746000e-01 -6.061518597e-01 -7.934267129e-01 3.30 -2.676294596e-01 -5.806649164e-01 -7.694171457e-01 3.32 -2.555208303e-01 -5.567232948e-01 -7.454025054e-01 3.34 -2.435198804e-01 -5.340684131e-01 -7.214032066e-01 3.36 -2.315931146e-01 -5.123254055e-01 -6.974306940e-01 3.38 -2.197031924e-01 -4.913102227e-01 -6.734868395e-01 3.40 -2.078104541e-01 -4.707583101e-01 -6.495631961e-01 3.42 -1.958755342e-01 -4.502520659e-01 -6.256402321e-01 3.44 -1.838634784e-01 -4.298445547e-01 -6.016865094e-01 3.46 -1.717498601e-01 -4.096106795e-01 -5.776578779e-01 3.48 -1.595293197e-01 -3.896400813e-01 -5.534968432e-01 3.50 -1.472265327e-01 -3.700190651e-01 -5.291321883e-01 3.52 -1.349085412e-01 -3.508019404e-01 -5.044791369e-01 3.54 -1.226950347e-01 -3.319788069e-01 -4.794403788e-01 3.56 -1.107592849e-01 -3.129590969e-01 -4.539083908e-01 3.58 -9.930856824e-02 -2.949231525e-01 -4.277696939e-01 3.60 -8.853555116e-02 -2.766102338e-01 -4.009117887e-01 3.62 -7.855099101e-02 -2.579065926e-01 -3.732337662e-01 3.64 -6.933729496e-02 -2.387035791e-01 -3.446617338e-01 3.66 -6.076338443e-02 -2.190016593e-01 -3.151704570e-01 3.68 -5.200355101e-02 -1.988511126e-01 -2.848129482e-01 3.70 -4.470900776e-02 -1.783701539e-01 -2.537602360e-01 3.72 -3.736399022e-02 -1.577653761e-01 -2.223539728e-01 3.74 -3.013737669e-02 -1.373560456e-01 -1.911731519e-01 3.76 -2.322713129e-02 -1.176062992e-01 -1.611060312e-01 3.78 -1.684789677e-02 -9.916562294e-02 -1.333814299e-01 3.80 -1.121751051e-02 -8.287788283e-02 -1.094285263e-01 3.82 -6.539100343e-03 -6.960204283e-02 -9.037962915e-02 3.84 -3.008079827e-03 -5.967773973e-02 -7.633840853e-02 3.86 -8.708768992e-04 -5.246054659e-02 -6.617193250e-02 3.88 3.152654613e-05 -4.658087564e-02 -5.807954963e-02 3.90 2.621573854e-17 -4.149047538e-02 -5.132598434e-02 3.92 0.000000000e+00 -3.628399512e-02 -4.491606454e-02 3.94 0.000000000e+00 -3.110606025e-02 -3.853712984e-02 3.96 0.000000000e+00 -2.601919968e-02 -3.226798423e-02 3.98 0.000000000e+00 -2.110867556e-02 -2.621620225e-02 4.00 0.000000000e+00 -1.647953959e-02 -2.051485816e-02 4.02 0.000000000e+00 -1.224784626e-02 -1.531205844e-02 4.04 0.000000000e+00 -8.525354303e-03 -1.075160821e-02 4.06 0.000000000e+00 -5.402790273e-03 -6.946473639e-03 4.08 0.000000000e+00 -2.954534926e-03 -3.958623347e-03 4.10 0.000000000e+00 -1.281809473e-03 -1.829083655e-03 4.12 0.000000000e+00 1.476293356e-05 2.214466313e-05 4.14 0.000000000e+00 3.097534890e-06 4.646303011e-06 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 4.24 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.26 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.28 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.30 0.000000000e+00 0.000000000e+00 0.000000000e+00 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 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.62 0.000000000e+00 0.000000000e+00 0.000000000e+00 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 4.96 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.98 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.00 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.02 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.04 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.06 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.08 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.10 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.12 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.14 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.16 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.18 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.20 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.22 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.24 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.26 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.28 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.30 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.32 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.34 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.36 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.38 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.40 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.42 0.000000000e+00 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0.000000000e+00 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00 0.000000000e+00