# 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 = Cd3Zn # 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 8.035866735e+00 1.729193695e+01 2.246812670e+01 2.02 7.216977228e+00 1.585394257e+01 2.074859024e+01 2.04 6.461093986e+00 1.451478844e+01 1.914190674e+01 2.06 5.763841278e+00 1.326852037e+01 1.764094683e+01 2.08 5.121232711e+00 1.210900377e+01 1.623924203e+01 2.10 4.529646002e+00 1.103128679e+01 1.493092699e+01 2.12 3.985737363e+00 1.003061150e+01 1.371055059e+01 2.14 3.486378345e+00 9.102712898e+00 1.257291034e+01 2.16 3.028184477e+00 8.242622418e+00 1.151204453e+01 2.18 2.608469040e+00 7.444940717e+00 1.052296739e+01 2.20 2.224500971e+00 6.704842313e+00 9.600189253e+00 2.22 1.874249787e+00 6.018302690e+00 8.739271369e+00 2.24 1.555877103e+00 5.382025201e+00 7.936269373e+00 2.26 1.267399457e+00 4.792130648e+00 7.187597958e+00 2.28 1.006985425e+00 4.245983291e+00 6.490086988e+00 2.30 7.712004910e-01 3.740578916e+00 5.841029499e+00 2.32 5.586211586e-01 3.273739969e+00 5.238161045e+00 2.34 3.668541187e-01 2.843532909e+00 4.679487451e+00 2.36 1.941809252e-01 2.447967384e+00 4.162931810e+00 2.38 3.918284479e-02 2.084782238e+00 3.686315222e+00 2.40 -9.946917798e-02 1.751596550e+00 3.245715131e+00 2.42 -2.230197239e-01 1.445846787e+00 2.839206444e+00 2.44 -3.326337985e-01 1.165549170e+00 2.463722484e+00 2.46 -4.294014366e-01 9.090565132e-01 2.117475782e+00 2.48 -5.143420364e-01 6.748150812e-01 1.798762559e+00 2.50 -5.884083949e-01 4.613521102e-01 1.505331442e+00 2.52 -6.524906242e-01 2.672616855e-01 1.235800601e+00 2.54 -7.074197066e-01 9.119132736e-02 9.882418821e-01 2.56 -7.539709356e-01 -6.816617833e-02 7.612481838e-01 2.58 -7.928671423e-01 -2.120682982e-01 5.535026482e-01 2.60 -8.247817253e-01 -3.416993491e-01 3.637497041e-01 2.62 -8.503415439e-01 -4.579313774e-01 1.907892841e-01 2.64 -8.701296021e-01 -5.622604411e-01 3.347708088e-02 2.66 -8.846876462e-01 -6.550520037e-01 -1.092669821e-01 2.68 -8.945185698e-01 -7.370932332e-01 -2.384444092e-01 2.70 -9.000887258e-01 -8.091218676e-01 -3.549676950e-01 2.72 -9.018300589e-01 -8.718790339e-01 -4.596642290e-01 2.74 -9.001421660e-01 -9.260617356e-01 -5.532749692e-01 2.76 -8.953942472e-01 -9.723251618e-01 -6.365668634e-01 2.78 -8.879268728e-01 -1.011284867e+00 -7.101606585e-01 2.80 -8.780537284e-01 -1.043518880e+00 -7.746834012e-01 2.82 -8.660632299e-01 -1.069569615e+00 -8.307555393e-01 2.84 -8.522200099e-01 -1.089945791e+00 -8.789680025e-01 2.86 -8.367663349e-01 -1.105124142e+00 -9.198905805e-01 2.88 -8.199234234e-01 -1.115551106e+00 -9.540821781e-01 2.90 -8.018926862e-01 -1.121644392e+00 -9.821018827e-01 2.92 -7.828568330e-01 -1.123794456e+00 -1.004518616e+00 2.94 -7.629809366e-01 -1.122365906e+00 -1.021915054e+00 2.96 -7.424133705e-01 -1.117698812e+00 -1.034879812e+00 2.98 -7.212867048e-01 -1.110109941e+00 -1.043982467e+00 3.00 -6.997184822e-01 -1.099893907e+00 -1.049730935e+00 3.02 -6.778119586e-01 -1.087324233e+00 -1.052522484e+00 3.04 -6.556567787e-01 -1.072654357e+00 -1.052561343e+00 3.06 -6.333296218e-01 -1.056118527e+00 -1.050129887e+00 3.08 -6.108948572e-01 -1.037932621e+00 -1.045278951e+00 3.10 -5.884052755e-01 -1.018294909e+00 -1.037942932e+00 3.12 -5.659029369e-01 -9.973866915e-01 -1.028326182e+00 3.14 -5.434203081e-01 -9.753728865e-01 -1.016662052e+00 3.16 -5.209817851e-01 -9.524025073e-01 -1.003168436e+00 3.18 -4.986058513e-01 -9.286091074e-01 -9.880485998e-01 3.20 -4.763080873e-01 -9.041111341e-01 -9.714919312e-01 3.22 -4.541052909e-01 -8.790122735e-01 -9.536746624e-01 3.24 -4.320209355e-01 -8.534018040e-01 -9.347605640e-01 3.26 -4.100919507e-01 -8.273550718e-01 -9.149015975e-01 3.28 -3.883764042e-01 -8.009341713e-01 -8.942385566e-01 3.30 -3.669608570e-01 -7.741890454e-01 -8.729016328e-01 3.32 -3.459650052e-01 -7.471592817e-01 -8.510109995e-01 3.34 -3.255399199e-01 -7.198769407e-01 -8.286773232e-01 3.36 -3.058556340e-01 -6.923708916e-01 -8.060022630e-01 3.38 -2.870753903e-01 -6.646731056e-01 -7.830789319e-01 3.40 -2.693190660e-01 -6.368271576e-01 -7.599923275e-01 3.42 -2.526265684e-01 -6.088986300e-01 -7.368197221e-01 3.44 -2.369388388e-01 -5.809859401e-01 -7.136310360e-01 3.46 -2.221120692e-01 -5.532283240e-01 -6.904891344e-01 3.48 -2.079667691e-01 -5.258060204e-01 -6.674501405e-01 3.50 -1.942309158e-01 -4.989273800e-01 -6.445636662e-01 3.52 -1.811859645e-01 -4.728012297e-01 -6.218730296e-01 3.54 -1.686178610e-01 -4.476010799e-01 -5.994154132e-01 3.56 -1.567309296e-01 -4.229279955e-01 -5.772219925e-01 3.58 -1.457581277e-01 -4.002253728e-01 -5.553180109e-01 3.60 -1.359125189e-01 -3.784482153e-01 -5.337228248e-01 3.62 -1.272860935e-01 -3.577142160e-01 -5.124498932e-01 3.64 -1.198207872e-01 -3.380934335e-01 -4.915067419e-01 3.66 -1.133444428e-01 -3.197252655e-01 -4.708948939e-01 3.68 -1.070026265e-01 -3.026637393e-01 -4.506097789e-01 3.70 -1.023447279e-01 -2.868583749e-01 -4.306406425e-01 3.72 -9.778867437e-02 -2.720985006e-01 -4.109704951e-01 3.74 -9.334155889e-02 -2.583218208e-01 -3.915761205e-01 3.76 -8.900454743e-02 -2.452467962e-01 -3.724282317e-01 3.78 -8.477111996e-02 -2.325926711e-01 -3.534918588e-01 3.80 -8.063389514e-02 -2.200649501e-01 -3.347271066e-01 3.82 -7.658463387e-02 -2.076371205e-01 -3.160904767e-01 3.84 -7.261425714e-02 -1.952831815e-01 -2.975370330e-01 3.86 -6.871289023e-02 -1.829801548e-01 -2.790237748e-01 3.88 -6.486994521e-02 -1.707115279e-01 -2.605146942e-01 3.90 -6.107426101e-02 -1.584717573e-01 -2.419880814e-01 3.92 -5.731432396e-02 -1.462717816e-01 -2.234465666e-01 3.94 -5.357859711e-02 -1.341451071e-01 -2.049299364e-01 3.96 -4.985599126e-02 -1.221532610e-01 -1.865293467e-01 3.98 -4.613651495e-02 -1.103881753e-01 -1.683984672e-01 4.00 -4.241213670e-02 -9.896759743e-02 -1.507520846e-01 4.02 -3.867788895e-02 -8.801924388e-02 -1.338387477e-01 4.04 -3.493321383e-02 -7.765290695e-02 -1.178803015e-01 4.06 -3.118351300e-02 -6.792916414e-02 -1.029974602e-01 4.08 -2.744179236e-02 -5.884336543e-02 -8.917178738e-02 4.10 -2.373019172e-02 -5.034019935e-02 -7.628291222e-02 4.12 -2.008107560e-02 -4.201908259e-02 -6.369181121e-02 4.14 -1.653728768e-02 -3.477231687e-02 -5.273045034e-02 4.16 -1.315131139e-02 -2.785947448e-02 -4.227435193e-02 4.18 -9.983807813e-03 -2.140992289e-02 -3.252234568e-02 4.20 -7.103848024e-03 -1.554889493e-02 -2.366257073e-02 4.22 -4.595273397e-03 -1.039430451e-02 -1.586521256e-02 4.24 -2.568908992e-03 -6.090435990e-03 -9.328518618e-03 4.26 -1.150869337e-03 -2.877319688e-03 -4.406514719e-03 4.28 -3.319036293e-05 -7.653487098e-05 -1.087914749e-04 4.30 -8.400120887e-07 -1.696750495e-06 -2.236356026e-06 4.32 1.984122181e-06 5.294064755e-06 7.942901862e-06 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 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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