# 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 = TeZn3 # 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 5.672267859e+00 1.298343152e+01 1.631379215e+01 2.02 5.040519007e+00 1.194365228e+01 1.511751093e+01 2.04 4.453624245e+00 1.096732968e+01 1.399035753e+01 2.06 3.909357336e+00 1.005046063e+01 1.292858638e+01 2.08 3.405196076e+00 9.189466046e+00 1.192867835e+01 2.10 2.938334819e+00 8.381390348e+00 1.098729897e+01 2.12 2.506136828e+00 7.623437838e+00 1.010125310e+01 2.14 2.106436295e+00 6.912952698e+00 9.267454809e+00 2.16 1.737212253e+00 6.247403717e+00 8.482949968e+00 2.18 1.396511536e+00 5.624370754e+00 7.745013462e+00 2.20 1.082521329e+00 5.041558451e+00 7.051255214e+00 2.22 7.936795769e-01 4.496706838e+00 6.399640532e+00 2.24 5.284299597e-01 3.987675953e+00 5.787847200e+00 2.26 2.856863028e-01 3.512408869e+00 5.213807571e+00 2.28 6.412190273e-02 3.068959159e+00 4.675380328e+00 2.30 -1.375017469e-01 2.655603800e+00 4.170500278e+00 2.32 -3.203603378e-01 2.270754782e+00 3.697513706e+00 2.34 -4.855757295e-01 1.913110353e+00 3.254856183e+00 2.36 -6.342239346e-01 1.581389085e+00 2.841046357e+00 2.38 -7.673412291e-01 1.274205704e+00 2.454677620e+00 2.40 -8.859259909e-01 9.899439536e-01 2.094407856e+00 2.42 -9.909441891e-01 7.272048748e-01 1.758947280e+00 2.44 -1.083302604e+00 4.847149292e-01 1.447045794e+00 2.46 -1.163951621e+00 2.613844546e-01 1.157483885e+00 2.48 -1.233783606e+00 5.618118294e-02 8.890698839e-01 2.50 -1.293683110e+00 -1.318727524e-01 6.406467029e-01 2.52 -1.344504570e+00 -3.037055725e-01 4.110980990e-01 2.54 -1.387019983e+00 -4.602033376e-01 1.994128423e-01 2.56 -1.421773898e+00 -6.022211905e-01 4.505755889e-03 2.58 -1.449647918e+00 -7.305985127e-01 -1.745680006e-01 2.60 -1.470727960e+00 -8.461768109e-01 -3.387327679e-01 2.62 -1.485586250e+00 -9.498143941e-01 -4.888998083e-01 2.64 -1.494715919e+00 -1.042389469e+00 -6.259481990e-01 2.66 -1.498581634e+00 -1.124778992e+00 -7.506878336e-01 2.68 -1.497620139e+00 -1.197809366e+00 -8.638216378e-01 2.70 -1.492240655e+00 -1.262193918e+00 -9.659398795e-01 2.72 -1.482825201e+00 -1.318447515e+00 -1.057571426e+00 2.74 -1.469728804e+00 -1.367261742e+00 -1.139204181e+00 2.76 -1.453279722e+00 -1.408740177e+00 -1.211595306e+00 2.78 -1.433779606e+00 -1.443397521e+00 -1.275171857e+00 2.80 -1.411503862e+00 -1.471700183e+00 -1.330569733e+00 2.82 -1.386702278e+00 -1.494091538e+00 -1.378297460e+00 2.84 -1.359600369e+00 -1.510992555e+00 -1.418838921e+00 2.86 -1.330401847e+00 -1.522802425e+00 -1.452654270e+00 2.88 -1.299292961e+00 -1.529899160e+00 -1.480181036e+00 2.90 -1.266449661e+00 -1.532640142e+00 -1.501835703e+00 2.92 -1.232048721e+00 -1.531362651e+00 -1.518015771e+00 2.94 -1.196283683e+00 -1.526384372e+00 -1.529102493e+00 2.96 -1.159385795e+00 -1.518003921e+00 -1.535464244e+00 2.98 -1.121647524e+00 -1.506501414e+00 -1.537460256e+00 3.00 -1.083441984e+00 -1.492139110e+00 -1.535444033e+00 3.02 -1.045225161e+00 -1.475162277e+00 -1.529765413e+00 3.04 -1.007502553e+00 -1.455800376e+00 -1.520769952e+00 3.06 -9.707458174e-01 -1.434268673e+00 -1.508794315e+00 3.08 -9.352689723e-01 -1.410770627e+00 -1.494157529e+00 3.10 -9.011177679e-01 -1.385501120e+00 -1.477149262e+00 3.12 -8.680571452e-01 -1.358650774e+00 -1.458019317e+00 3.14 -8.357027696e-01 -1.330411261e+00 -1.436943887e+00 3.16 -8.036026592e-01 -1.300980967e+00 -1.414225539e+00 3.18 -7.719773751e-01 -1.270569585e+00 -1.389871560e+00 3.20 -7.404617014e-01 -1.239399040e+00 -1.364074690e+00 3.22 -7.092876115e-01 -1.207697199e+00 -1.337000006e+00 3.24 -6.785052237e-01 -1.175681643e+00 -1.308800552e+00 3.26 -6.481292657e-01 -1.143534463e+00 -1.279617415e+00 3.28 -6.181688396e-01 -1.111376559e+00 -1.249579787e+00 3.30 -5.886278891e-01 -1.079256402e+00 -1.218804879e+00 3.32 -5.595057752e-01 -1.047165860e+00 -1.187397863e+00 3.34 -5.307979069e-01 -1.015078407e+00 -1.155451691e+00 3.36 -5.024964936e-01 -9.829552051e-01 -1.123046834e+00 3.38 -4.745914100e-01 -9.509068405e-01 -1.090251003e+00 3.40 -4.470712239e-01 -9.188810663e-01 -1.057118753e+00 3.42 -4.199243964e-01 -8.869337071e-01 -1.023691120e+00 3.44 -3.931407217e-01 -8.550888775e-01 -9.899952681e-01 3.46 -3.667129874e-01 -8.233609113e-01 -9.560442253e-01 3.48 -3.406389103e-01 -7.917539647e-01 -9.218368970e-01 3.50 -3.149233292e-01 -7.602617239e-01 -8.873584773e-01 3.52 -2.895806533e-01 -7.288674383e-01 -8.525816200e-01 3.54 -2.646374960e-01 -6.975446241e-01 -8.174687549e-01 3.56 -2.401353880e-01 -6.662588661e-01 -7.819761342e-01 3.58 -2.161333925e-01 -6.349714563e-01 -7.460604475e-01 3.60 -1.927103552e-01 -6.036456669e-01 -7.096889941e-01 3.62 -1.699664452e-01 -5.722567449e-01 -6.728546876e-01 3.64 -1.480235683e-01 -5.408066192e-01 -6.355970146e-01 3.66 -1.270242230e-01 -5.093441504e-01 -5.980296692e-01 3.68 -1.071283897e-01 -4.779904519e-01 -5.603735675e-01 3.70 -8.850815801e-02 -4.469661463e-01 -5.229897753e-01 3.72 -7.133978965e-02 -4.166115739e-01 -4.863988174e-01 3.74 -5.579272650e-02 -3.873729514e-01 -4.512615793e-01 3.76 -4.201447252e-02 -3.597895116e-01 -4.182900137e-01 3.78 -3.010998742e-02 -3.342864043e-01 -3.880722860e-01 3.80 -2.011801499e-02 -3.110787264e-01 -3.608569054e-01 3.82 -1.201041395e-02 -2.900310792e-01 -3.364188867e-01 3.84 -5.817223231e-03 -2.706920062e-01 -3.141326682e-01 3.86 -8.163435965e-04 -2.524933349e-01 -2.932380629e-01 3.88 5.279973736e-05 -2.349083991e-01 -2.730334812e-01 3.90 4.225984242e-06 -2.178670548e-01 -2.534573646e-01 3.92 0.000000000e+00 -2.010669286e-01 -2.340888289e-01 3.94 0.000000000e+00 -1.846292844e-01 -2.151070625e-01 3.96 0.000000000e+00 -1.685760562e-01 -1.965411719e-01 3.98 0.000000000e+00 -1.529369096e-01 -1.784291674e-01 4.00 0.000000000e+00 -1.377497946e-01 -1.608186505e-01 4.02 0.000000000e+00 -1.230611874e-01 -1.437671408e-01 4.04 0.000000000e+00 -1.089258816e-01 -1.273418846e-01 4.06 0.000000000e+00 -9.540617723e-02 -1.116189695e-01 4.08 0.000000000e+00 -8.257030015e-02 -9.668155538e-02 4.10 0.000000000e+00 -7.048989538e-02 -8.261704691e-02 4.12 0.000000000e+00 -5.923646999e-02 -6.951306479e-02 4.14 0.000000000e+00 -4.887673283e-02 -5.745214969e-02 4.16 0.000000000e+00 -3.946693026e-02 -4.650526448e-02 4.18 0.000000000e+00 -3.104659357e-02 -3.672437157e-02 4.20 0.000000000e+00 -2.363291207e-02 -2.813482533e-02 4.22 0.000000000e+00 -1.721904478e-02 -2.072949564e-02 4.24 0.000000000e+00 -1.178467940e-02 -1.447006492e-02 4.26 0.000000000e+00 -7.332572486e-03 -9.309447962e-03 4.28 0.000000000e+00 -3.940167242e-03 -5.253560541e-03 4.30 0.000000000e+00 -1.711749255e-03 -2.408868324e-03 4.32 0.000000000e+00 2.873196014e-05 4.313985984e-05 4.34 0.000000000e+00 1.282685476e-05 1.924225950e-05 4.36 0.000000000e+00 2.939921649e-06 4.409888774e-06 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 0.000000000e+00 0.000000000e+00 5.44 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.46 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.48 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.50 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.52 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.56 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.80 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