# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2013--Ward-D-K-Zhou-X-Wong-B-M-Doty-F-P--Cd-Te-Zn # implementation = 2013--Ward-D-K--Cd-Te-Zn--LAMMPS--ipr1 # composition = Cd2TeZn # 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 L2_1--AlCu2Mn--h L2_1--AlCu2Mn--h 2.00 1.948202404e+01 1.948202404e+01 2.02 1.800022554e+01 1.800022554e+01 2.04 1.661308330e+01 1.661308330e+01 2.06 1.531495542e+01 1.531495542e+01 2.08 1.410043343e+01 1.410043343e+01 2.10 1.296422732e+01 1.296422732e+01 2.12 1.190114952e+01 1.190114952e+01 2.14 1.090635877e+01 1.090635877e+01 2.16 9.975523414e+00 9.975523414e+00 2.18 9.104230268e+00 9.104230268e+00 2.20 8.290000884e+00 8.290000884e+00 2.22 7.528889168e+00 7.528889168e+00 2.24 6.817731907e+00 6.817731907e+00 2.26 6.153694856e+00 6.153694856e+00 2.28 5.534200653e+00 5.534200653e+00 2.30 4.956935460e+00 4.956935460e+00 2.32 4.419826496e+00 4.419826496e+00 2.34 3.920944964e+00 3.920944964e+00 2.36 3.458322751e+00 3.458322751e+00 2.38 3.029799768e+00 3.029799768e+00 2.40 2.633029168e+00 2.633029168e+00 2.42 2.265610441e+00 2.265610441e+00 2.44 1.925555786e+00 1.925555786e+00 2.46 1.610831667e+00 1.610831667e+00 2.48 1.319819847e+00 1.319819847e+00 2.50 1.051143384e+00 1.051143384e+00 2.52 8.034967093e-01 8.034967093e-01 2.54 5.756373417e-01 5.756373417e-01 2.56 3.663769775e-01 3.663769775e-01 2.58 1.745707679e-01 1.745707679e-01 2.60 -8.964618909e-04 -8.964618912e-04 2.62 -1.609919095e-01 -1.609919095e-01 2.64 -3.071673304e-01 -3.071673304e-01 2.66 -4.401753356e-01 -4.401753356e-01 2.68 -5.610402690e-01 -5.610402690e-01 2.70 -6.706492159e-01 -6.706492159e-01 2.72 -7.696691081e-01 -7.696691081e-01 2.74 -8.589383470e-01 -8.589383470e-01 2.76 -9.386978531e-01 -9.386978531e-01 2.78 -1.009591516e+00 -1.009591516e+00 2.80 -1.072206101e+00 -1.072206101e+00 2.82 -1.127097071e+00 -1.127097071e+00 2.84 -1.174790210e+00 -1.174790210e+00 2.86 -1.215782662e+00 -1.215782662e+00 2.88 -1.250544555e+00 -1.250544555e+00 2.90 -1.279520029e+00 -1.279520029e+00 2.92 -1.303128524e+00 -1.303128524e+00 2.94 -1.321765877e+00 -1.321765877e+00 2.96 -1.335805417e+00 -1.335805417e+00 2.98 -1.345599034e+00 -1.345599034e+00 3.00 -1.351478133e+00 -1.351478133e+00 3.02 -1.353754626e+00 -1.353754626e+00 3.04 -1.352721840e+00 -1.352721840e+00 3.06 -1.348655379e+00 -1.348655379e+00 3.08 -1.341813993e+00 -1.341813993e+00 3.10 -1.332440379e+00 -1.332440379e+00 3.12 -1.320761954e+00 -1.320761954e+00 3.14 -1.306991620e+00 -1.306991620e+00 3.16 -1.291328484e+00 -1.291328484e+00 3.18 -1.273958573e+00 -1.273958573e+00 3.20 -1.255055516e+00 -1.255055516e+00 3.22 -1.234781251e+00 -1.234781251e+00 3.24 -1.213286673e+00 -1.213286673e+00 3.26 -1.190712335e+00 -1.190712335e+00 3.28 -1.167189141e+00 -1.167189141e+00 3.30 -1.142839061e+00 -1.142839061e+00 3.32 -1.117775909e+00 -1.117775909e+00 3.34 -1.092106142e+00 -1.092106142e+00 3.36 -1.065929751e+00 -1.065929751e+00 3.38 -1.039341273e+00 -1.039341273e+00 3.40 -1.012430864e+00 -1.012430864e+00 3.42 -9.852855050e-01 -9.852855050e-01 3.44 -9.579903510e-01 -9.579903510e-01 3.46 -9.306300847e-01 -9.306300847e-01 3.48 -9.032902234e-01 -9.032902234e-01 3.50 -8.760581343e-01 -8.760581343e-01 3.52 -8.490233710e-01 -8.490233710e-01 3.54 -8.222768609e-01 -8.222768609e-01 3.56 -7.959082979e-01 -7.959082979e-01 3.58 -7.700013428e-01 -7.700013428e-01 3.60 -7.446266844e-01 -7.446266844e-01 3.62 -7.198341340e-01 -7.198341340e-01 3.64 -6.956460758e-01 -6.956460758e-01 3.66 -6.720554150e-01 -6.720554150e-01 3.68 -6.490300821e-01 -6.490300821e-01 3.70 -6.265232296e-01 -6.265232296e-01 3.72 -6.044351814e-01 -6.044351814e-01 3.74 -5.828532042e-01 -5.828532042e-01 3.76 -5.616435415e-01 -5.616435415e-01 3.78 -5.407747986e-01 -5.407747986e-01 3.80 -5.202567434e-01 -5.202567434e-01 3.82 -5.000356858e-01 -5.000356858e-01 3.84 -4.800998562e-01 -4.800998562e-01 3.86 -4.604461238e-01 -4.604461238e-01 3.88 -4.410724968e-01 -4.410724968e-01 3.90 -4.219796102e-01 -4.219796102e-01 3.92 -4.031723769e-01 -4.031723769e-01 3.94 -3.846616535e-01 -3.846616535e-01 3.96 -3.664656174e-01 -3.664656174e-01 3.98 -3.486102991e-01 -3.486102991e-01 4.00 -3.311286785e-01 -3.311286785e-01 4.02 -3.140576861e-01 -3.140576861e-01 4.04 -2.974326406e-01 -2.974326406e-01 4.06 -2.812795328e-01 -2.812795328e-01 4.08 -2.656065283e-01 -2.656065283e-01 4.10 -2.503975032e-01 -2.503975032e-01 4.12 -2.352988905e-01 -2.352988905e-01 4.14 -2.211177287e-01 -2.211177287e-01 4.16 -2.071015332e-01 -2.071015332e-01 4.18 -1.932542636e-01 -1.932542636e-01 4.20 -1.795799882e-01 -1.795799882e-01 4.22 -1.660848281e-01 -1.660848281e-01 4.24 -1.527812460e-01 -1.527812460e-01 4.26 -1.396891267e-01 -1.396891267e-01 4.28 -1.268367949e-01 -1.268367949e-01 4.30 -1.142618564e-01 -1.142618564e-01 4.32 -1.020117372e-01 -1.020117372e-01 4.34 -9.014373731e-02 -9.014373731e-02 4.36 -7.872439914e-02 -7.872439914e-02 4.38 -6.782795890e-02 -6.782795890e-02 4.40 -5.753365778e-02 -5.753365778e-02 4.42 -4.792172657e-02 -4.792172657e-02 4.44 -3.906796389e-02 -3.906796389e-02 4.46 -3.103709028e-02 -3.103709028e-02 4.48 -2.387566844e-02 -2.387566844e-02 4.50 -1.760702394e-02 -1.760702394e-02 4.52 -1.223489215e-02 -1.223489215e-02 4.54 -7.769983350e-03 -7.769983350e-03 4.56 -4.284730813e-03 -4.284730813e-03 4.58 -1.909920449e-03 -1.909920449e-03 4.60 3.632909281e-05 3.632909281e-05 4.62 1.580150648e-05 1.580150648e-05 4.64 3.625516035e-06 3.625516035e-06 4.66 0.000000000e+00 0.000000000e+00 4.68 0.000000000e+00 0.000000000e+00 4.70 0.000000000e+00 0.000000000e+00 4.72 0.000000000e+00 0.000000000e+00 4.74 0.000000000e+00 0.000000000e+00 4.76 0.000000000e+00 0.000000000e+00 4.78 0.000000000e+00 0.000000000e+00 4.80 0.000000000e+00 0.000000000e+00 4.82 0.000000000e+00 0.000000000e+00 4.84 0.000000000e+00 0.000000000e+00 4.86 0.000000000e+00 0.000000000e+00 4.88 0.000000000e+00 0.000000000e+00 4.90 0.000000000e+00 0.000000000e+00 4.92 0.000000000e+00 0.000000000e+00 4.94 0.000000000e+00 0.000000000e+00 4.96 0.000000000e+00 0.000000000e+00 4.98 0.000000000e+00 0.000000000e+00 5.00 0.000000000e+00 0.000000000e+00 5.02 0.000000000e+00 0.000000000e+00 5.04 0.000000000e+00 0.000000000e+00 5.06 0.000000000e+00 0.000000000e+00 5.08 0.000000000e+00 0.000000000e+00 5.10 0.000000000e+00 0.000000000e+00 5.12 0.000000000e+00 0.000000000e+00 5.14 0.000000000e+00 0.000000000e+00 5.16 0.000000000e+00 0.000000000e+00 5.18 0.000000000e+00 0.000000000e+00 5.20 0.000000000e+00 0.000000000e+00 5.22 0.000000000e+00 0.000000000e+00 5.24 0.000000000e+00 0.000000000e+00 5.26 0.000000000e+00 0.000000000e+00 5.28 0.000000000e+00 0.000000000e+00 5.30 0.000000000e+00 0.000000000e+00 5.32 0.000000000e+00 0.000000000e+00 5.34 0.000000000e+00 0.000000000e+00 5.36 0.000000000e+00 0.000000000e+00 5.38 0.000000000e+00 0.000000000e+00 5.40 0.000000000e+00 0.000000000e+00 5.42 0.000000000e+00 0.000000000e+00 5.44 0.000000000e+00 0.000000000e+00 5.46 0.000000000e+00 0.000000000e+00 5.48 0.000000000e+00 0.000000000e+00 5.50 0.000000000e+00 0.000000000e+00 5.52 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 5.56 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00