# 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 = 2013--Zhou-X-W--Zn-Cd-Hg-S-Se-Te--LAMMPS--ipr1 # composition = STeZn2 # 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 0.50 nan nan 0.52 nan nan 0.54 nan nan 0.56 nan nan 0.58 nan nan 0.60 nan nan 0.62 nan nan 0.64 nan nan 0.66 nan nan 0.68 nan nan 0.70 nan nan 0.72 nan nan 0.74 nan nan 0.76 nan nan 0.78 nan nan 0.80 nan nan 0.82 nan nan 0.84 nan nan 0.86 nan nan 0.88 nan nan 0.90 nan nan 0.92 nan nan 0.94 1.395975455e+04 1.395975455e+04 0.96 1.227288450e+04 1.227288450e+04 0.98 1.082123769e+04 1.082123769e+04 1.00 9.566429865e+03 9.566429863e+03 1.02 8.479741520e+03 8.479741519e+03 1.04 7.537194081e+03 7.537194080e+03 1.06 6.715645569e+03 6.715645567e+03 1.08 5.993212962e+03 5.993212961e+03 1.10 5.353409627e+03 5.353409626e+03 1.12 4.786101384e+03 4.786101383e+03 1.14 4.283522006e+03 4.283522006e+03 1.16 3.838129552e+03 3.838129552e+03 1.18 3.442944607e+03 3.442944607e+03 1.20 3.091748535e+03 3.091748535e+03 1.22 2.779065024e+03 2.779065023e+03 1.24 2.500294613e+03 2.500294612e+03 1.26 2.251896665e+03 2.251896664e+03 1.28 2.031127118e+03 2.031127117e+03 1.30 1.835377416e+03 1.835377416e+03 1.32 1.661993232e+03 1.661993232e+03 1.34 1.508363607e+03 1.508363606e+03 1.36 1.371975800e+03 1.371975800e+03 1.38 1.250474385e+03 1.250474384e+03 1.40 1.141724501e+03 1.141724501e+03 1.42 1.043778004e+03 1.043778004e+03 1.44 9.548252933e+02 9.548252926e+02 1.46 8.733158369e+02 8.733158360e+02 1.48 7.981281557e+02 7.981281544e+02 1.50 7.285825738e+02 7.285825734e+02 1.52 6.642891584e+02 6.642891579e+02 1.54 6.049820532e+02 6.049820526e+02 1.56 5.504521051e+02 5.504521039e+02 1.58 5.005164849e+02 5.005164848e+02 1.60 4.549847210e+02 4.549847209e+02 1.62 4.136428505e+02 4.136428504e+02 1.64 3.762548798e+02 3.762548797e+02 1.66 3.425694115e+02 3.425694115e+02 1.68 3.123272814e+02 3.123272813e+02 1.70 2.852672228e+02 2.852672228e+02 1.72 2.611263890e+02 2.611263889e+02 1.74 2.396365371e+02 2.396365370e+02 1.76 2.205231306e+02 2.205231306e+02 1.78 2.035126334e+02 2.035126334e+02 1.80 1.883436600e+02 1.883436601e+02 1.82 1.747749794e+02 1.747749794e+02 1.84 1.625859631e+02 1.625859632e+02 1.86 1.515708423e+02 1.515708424e+02 1.88 1.415351616e+02 1.415351617e+02 1.90 1.323002479e+02 1.323002481e+02 1.92 1.237123037e+02 1.237123038e+02 1.94 1.156523263e+02 1.156523264e+02 1.96 1.080421208e+02 1.080421209e+02 1.98 1.008377980e+02 1.008377981e+02 2.00 9.401266826e+01 9.401266842e+01 2.02 8.754488383e+01 8.754488396e+01 2.04 8.141516618e+01 8.141516631e+01 2.06 7.560757312e+01 7.560757325e+01 2.08 7.010979686e+01 7.010979699e+01 2.10 6.491251020e+01 6.491251033e+01 2.12 6.000794019e+01 6.000794031e+01 2.14 5.538840668e+01 5.538840681e+01 2.16 5.104551984e+01 5.104551987e+01 2.18 4.696998027e+01 4.696998035e+01 2.20 4.315156269e+01 4.315156272e+01 2.22 3.957914070e+01 3.957914073e+01 2.24 3.624076051e+01 3.624076061e+01 2.26 3.312378445e+01 3.312378447e+01 2.28 3.021512291e+01 3.021512297e+01 2.30 2.750156265e+01 2.750156270e+01 2.32 2.497019293e+01 2.497019298e+01 2.34 2.260889284e+01 2.260889291e+01 2.36 2.040679862e+01 2.040679868e+01 2.38 1.835461807e+01 1.835461810e+01 2.40 1.644463764e+01 1.644463769e+01 2.42 1.467034520e+01 1.467034523e+01 2.44 1.302577780e+01 1.302577784e+01 2.46 1.150492872e+01 1.150492874e+01 2.48 1.010150173e+01 1.010150175e+01 2.50 8.808956875e+00 8.808956889e+00 2.52 7.620629334e+00 7.620629346e+00 2.54 6.529853050e+00 6.529853061e+00 2.56 5.530101979e+00 5.530101990e+00 2.58 4.615145664e+00 4.615145673e+00 2.60 3.779203705e+00 3.779203704e+00 2.62 3.017074776e+00 3.017074776e+00 2.64 2.324208527e+00 2.324208527e+00 2.66 1.696690220e+00 1.696690220e+00 2.68 1.131124016e+00 1.131124016e+00 2.70 6.244370503e-01 6.244370505e-01 2.72 1.736699988e-01 1.736699992e-01 2.74 -2.241636598e-01 -2.241636567e-01 2.76 -5.721119384e-01 -5.721119356e-01 2.78 -8.732501859e-01 -8.732501833e-01 2.80 -1.130636856e+00 -1.130636854e+00 2.82 -1.347277348e+00 -1.347277346e+00 2.84 -1.526093613e+00 -1.526093611e+00 2.86 -1.669901137e+00 -1.669901135e+00 2.88 -1.781397378e+00 -1.781397376e+00 2.90 -1.863165049e+00 -1.863165049e+00 2.92 -1.917691983e+00 -1.917691981e+00 2.94 -1.947404173e+00 -1.947404171e+00 2.96 -1.954703723e+00 -1.954703723e+00 2.98 -1.941998128e+00 -1.941998129e+00 3.00 -1.911707367e+00 -1.911707367e+00 3.02 -1.866243476e+00 -1.866243476e+00 3.04 -1.807971132e+00 -1.807971132e+00 3.06 -1.739165073e+00 -1.739165073e+00 3.08 -1.661973895e+00 -1.661973895e+00 3.10 -1.578389705e+00 -1.578389705e+00 3.12 -1.490222373e+00 -1.490222373e+00 3.14 -1.399079883e+00 -1.399079883e+00 3.16 -1.306357391e+00 -1.306357391e+00 3.18 -1.213237555e+00 -1.213237555e+00 3.20 -1.120703990e+00 -1.120703990e+00 3.22 -1.029567920e+00 -1.029567920e+00 3.24 -9.405051146e-01 -9.405051147e-01 3.26 -8.540961968e-01 -8.540961968e-01 3.28 -7.708597344e-01 -7.708597344e-01 3.30 -6.912671145e-01 -6.912671145e-01 3.32 -6.157342778e-01 -6.157342778e-01 3.34 -5.445978127e-01 -5.445978127e-01 3.36 -4.780930291e-01 -4.780930291e-01 3.38 -4.163478501e-01 -4.163478501e-01 3.40 -3.593925849e-01 -3.593925849e-01 3.42 -3.071793874e-01 -3.071793874e-01 3.44 -2.596074854e-01 -2.596074854e-01 3.46 -2.165510997e-01 -2.165510997e-01 3.48 -1.778854600e-01 -1.778854600e-01 3.50 -1.435048154e-01 -1.435048154e-01 3.52 -1.133262769e-01 -1.133262769e-01 3.54 -8.727610247e-02 -8.727610247e-02 3.56 -6.526111464e-02 -6.526111464e-02 3.58 -4.713517080e-02 -4.713517080e-02 3.60 -3.267366936e-02 -3.267366936e-02 3.62 -2.156401170e-02 -2.156401170e-02 3.64 -1.341125668e-02 -1.341125668e-02 3.66 -7.754978473e-03 -7.754978473e-03 3.68 -4.095418471e-03 -4.095418471e-03 3.70 -1.927830117e-03 -1.927830117e-03 3.72 -7.819511281e-04 -7.819511281e-04 3.74 -2.603120519e-04 -2.603120519e-04 3.76 -6.614885770e-05 -6.614885770e-05 3.78 -1.146041510e-05 -1.146041510e-05 3.80 -1.123699377e-06 -1.123699377e-06 3.82 -4.481313773e-08 -4.481313773e-08 3.84 -3.804942374e-10 -3.804942374e-10 3.86 -1.590469208e-13 -1.590469208e-13 3.88 -5.083738867e-20 -5.083738867e-20 3.90 -1.248983543e-37 -1.248983543e-37 3.92 -1.231028686e-263 -1.231028686e-263 3.94 0.000000000e+00 0.000000000e+00 3.96 0.000000000e+00 0.000000000e+00 3.98 0.000000000e+00 0.000000000e+00 4.00 0.000000000e+00 0.000000000e+00 4.02 0.000000000e+00 0.000000000e+00 4.04 0.000000000e+00 0.000000000e+00 4.06 0.000000000e+00 0.000000000e+00 4.08 0.000000000e+00 0.000000000e+00 4.10 0.000000000e+00 0.000000000e+00 4.12 0.000000000e+00 0.000000000e+00 4.14 0.000000000e+00 0.000000000e+00 4.16 0.000000000e+00 0.000000000e+00 4.18 0.000000000e+00 0.000000000e+00 4.20 0.000000000e+00 0.000000000e+00 4.22 0.000000000e+00 0.000000000e+00 4.24 0.000000000e+00 0.000000000e+00 4.26 0.000000000e+00 0.000000000e+00 4.28 0.000000000e+00 0.000000000e+00 4.30 0.000000000e+00 0.000000000e+00 4.32 0.000000000e+00 0.000000000e+00 4.34 0.000000000e+00 0.000000000e+00 4.36 0.000000000e+00 0.000000000e+00 4.38 0.000000000e+00 0.000000000e+00 4.40 0.000000000e+00 0.000000000e+00 4.42 0.000000000e+00 0.000000000e+00 4.44 0.000000000e+00 0.000000000e+00 4.46 0.000000000e+00 0.000000000e+00 4.48 0.000000000e+00 0.000000000e+00 4.50 0.000000000e+00 0.000000000e+00 4.52 0.000000000e+00 0.000000000e+00 4.54 0.000000000e+00 0.000000000e+00 4.56 0.000000000e+00 0.000000000e+00 4.58 0.000000000e+00 0.000000000e+00 4.60 0.000000000e+00 0.000000000e+00 4.62 0.000000000e+00 0.000000000e+00 4.64 0.000000000e+00 0.000000000e+00 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 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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