# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2011--Zhou-X-W-Doty-F-P-Yang-P--Li-Na-K-Rb-Cs-F-Cl-Br-I # implementation = 2011--Zhou-X-W--Li-Na-K-Rb-Cs-F-Cl-Br-I--LAMMPS--ipr1 # composition = KLi2Na # 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 nan nan 0.96 nan nan 0.98 nan nan 1.00 nan nan 1.02 nan nan 1.04 nan nan 1.06 nan nan 1.08 nan nan 1.10 nan nan 1.12 nan nan 1.14 nan nan 1.16 nan nan 1.18 nan nan 1.20 4.305138675e+02 4.305138675e+02 1.22 nan nan 1.24 3.797930227e+02 3.797930227e+02 1.26 3.569776800e+02 3.569776800e+02 1.28 3.356834707e+02 3.356834707e+02 1.30 3.157945410e+02 3.157945410e+02 1.32 2.972045566e+02 2.972045566e+02 1.34 2.798159196e+02 2.798159196e+02 1.36 2.635415557e+02 2.635415557e+02 1.38 2.483003809e+02 2.483003809e+02 1.40 2.340174215e+02 2.340174215e+02 1.42 2.206218311e+02 2.206218311e+02 1.44 2.080533915e+02 2.080533915e+02 1.46 1.962559085e+02 1.962559085e+02 1.48 1.851755259e+02 1.851755259e+02 1.50 1.747619742e+02 1.747619742e+02 1.52 1.649712853e+02 1.649712853e+02 1.54 1.557607187e+02 1.557607187e+02 1.56 1.470928932e+02 1.470928932e+02 1.58 1.389314923e+02 1.389314923e+02 1.60 1.312415249e+02 1.312415249e+02 1.62 1.239940271e+02 1.239940271e+02 1.64 1.171603263e+02 1.171603263e+02 1.66 1.107142718e+02 1.107142718e+02 1.68 1.046314491e+02 1.046314491e+02 1.70 9.889046178e+01 9.889046178e+01 1.72 9.347015749e+01 9.347015749e+01 1.74 8.835065008e+01 8.835065008e+01 1.76 8.351334005e+01 8.351334005e+01 1.78 7.894184614e+01 7.894184614e+01 1.80 7.462137340e+01 7.462137340e+01 1.82 7.053733447e+01 7.053733447e+01 1.84 6.667530287e+01 6.667530287e+01 1.86 6.302238012e+01 6.302238012e+01 1.88 5.956723585e+01 5.956723585e+01 1.90 5.629867047e+01 5.629867047e+01 1.92 5.320575906e+01 5.320575906e+01 1.94 5.027755383e+01 5.027755383e+01 1.96 4.750564420e+01 4.750564420e+01 1.98 4.488128704e+01 4.488128704e+01 2.00 4.239622198e+01 4.239622198e+01 2.02 4.004255894e+01 4.004255894e+01 2.04 3.781277793e+01 3.781277793e+01 2.06 3.569984195e+01 3.569984195e+01 2.08 3.369716828e+01 3.369716828e+01 2.10 3.179805994e+01 3.179805994e+01 2.12 2.999735276e+01 2.999735276e+01 2.14 2.828978663e+01 2.828978663e+01 2.16 2.666978631e+01 2.666978631e+01 2.18 2.513335989e+01 2.513335989e+01 2.20 2.367565659e+01 2.367565659e+01 2.22 2.229326707e+01 2.229326707e+01 2.24 2.098246965e+01 2.098246965e+01 2.26 1.973968617e+01 1.973968617e+01 2.28 1.856159049e+01 1.856159049e+01 2.30 1.744492127e+01 1.744492127e+01 2.32 1.638694022e+01 1.638694022e+01 2.34 1.538493795e+01 1.538493795e+01 2.36 1.443577601e+01 1.443577601e+01 2.38 1.353757827e+01 1.353757827e+01 2.40 1.268802318e+01 1.268802318e+01 2.42 1.188479277e+01 1.188479277e+01 2.44 1.112565865e+01 1.112565865e+01 2.46 1.040847163e+01 1.040847163e+01 2.48 9.731154001e+00 9.731154001e+00 2.50 9.091281526e+00 9.091281526e+00 2.52 8.487222639e+00 8.487222639e+00 2.54 7.917348458e+00 7.917348458e+00 2.56 7.379792527e+00 7.379792527e+00 2.58 6.872759108e+00 6.872759108e+00 2.60 6.394522885e+00 6.394522885e+00 2.62 5.942969841e+00 5.942969841e+00 2.64 5.516649346e+00 5.516649346e+00 2.66 5.114615064e+00 5.114615064e+00 2.68 4.735371397e+00 4.735371397e+00 2.70 4.377507783e+00 4.377507783e+00 2.72 4.039696827e+00 4.039696827e+00 2.74 3.720692313e+00 3.720692313e+00 2.76 3.419327060e+00 3.419327060e+00 2.78 3.134510563e+00 3.134510563e+00 2.80 2.865221088e+00 2.865221088e+00 2.82 2.610485011e+00 2.610485011e+00 2.84 2.369470141e+00 2.369470141e+00 2.86 2.141362292e+00 2.141362292e+00 2.88 1.925409300e+00 1.925409300e+00 2.90 1.720917358e+00 1.720917358e+00 2.92 1.527247230e+00 1.527247230e+00 2.94 1.343810404e+00 1.343810404e+00 2.96 1.170065200e+00 1.170065200e+00 2.98 1.005512918e+00 1.005512918e+00 3.00 8.496940298e-01 8.496940298e-01 3.02 7.021844927e-01 7.021844927e-01 3.04 5.624648884e-01 5.624648884e-01 3.06 4.302819174e-01 4.302819174e-01 3.08 3.053264375e-01 3.053264375e-01 3.10 1.873064444e-01 1.873064444e-01 3.12 7.591886133e-02 7.591886133e-02 3.14 -2.912069763e-02 -2.912069763e-02 3.16 -1.280802753e-01 -1.280802753e-01 3.18 -2.212136429e-01 -2.212136429e-01 3.20 -3.087621025e-01 -3.087621025e-01 3.22 -3.909560335e-01 -3.909560335e-01 3.24 -4.680161979e-01 -4.680161979e-01 3.26 -5.401548255e-01 -5.401548255e-01 3.28 -6.078243660e-01 -6.078243660e-01 3.30 -6.710252414e-01 -6.710252414e-01 3.32 -7.298272809e-01 -7.298272809e-01 3.34 -7.844288980e-01 -7.844288980e-01 3.36 -8.350207689e-01 -8.350207689e-01 3.38 -8.817967877e-01 -8.817967877e-01 3.40 -9.250033713e-01 -9.250033713e-01 3.42 -9.647077812e-01 -9.647077812e-01 3.44 -1.001415548e+00 -1.001415548e+00 3.46 -1.034883290e+00 -1.034883290e+00 3.48 -1.065268476e+00 -1.065268476e+00 3.50 -1.092731684e+00 -1.092731684e+00 3.52 -1.117425455e+00 -1.117425455e+00 3.54 -1.139494725e+00 -1.139494725e+00 3.56 -1.159077218e+00 -1.159077218e+00 3.58 -1.176303806e+00 -1.176303806e+00 3.60 -1.191298849e+00 -1.191298849e+00 3.62 -1.204180512e+00 -1.204180512e+00 3.64 -1.215061053e+00 -1.215061053e+00 3.66 -1.224047109e+00 -1.224047109e+00 3.68 -1.231239960e+00 -1.231239960e+00 3.70 -1.236735786e+00 -1.236735786e+00 3.72 -1.240787094e+00 -1.240787094e+00 3.74 -1.243327159e+00 -1.243327159e+00 3.76 -1.244396439e+00 -1.244396439e+00 3.78 -1.244078511e+00 -1.244078511e+00 3.80 -1.242452295e+00 -1.242452295e+00 3.82 -1.239592349e+00 -1.239592349e+00 3.84 -1.235569149e+00 -1.235569149e+00 3.86 -1.230449365e+00 -1.230449365e+00 3.88 -1.224296111e+00 -1.224296111e+00 3.90 -1.217169201e+00 -1.217169201e+00 3.92 -1.209125372e+00 -1.209125372e+00 3.94 -1.200218507e+00 -1.200218507e+00 3.96 -1.190511152e+00 -1.190511152e+00 3.98 -1.180087199e+00 -1.180087199e+00 4.00 -1.168935129e+00 -1.168935129e+00 4.02 -1.157101096e+00 -1.157101096e+00 4.04 -1.144629025e+00 -1.144629025e+00 4.06 -1.131560769e+00 -1.131560769e+00 4.08 -1.117936253e+00 -1.117936253e+00 4.10 -1.103793610e+00 -1.103793610e+00 4.12 -1.089169295e+00 -1.089169295e+00 4.14 -1.074098200e+00 -1.074098200e+00 4.16 -1.058613749e+00 -1.058613749e+00 4.18 -1.042747986e+00 -1.042747986e+00 4.20 -1.026531663e+00 -1.026531663e+00 4.22 -1.009994306e+00 -1.009994306e+00 4.24 -9.931642896e-01 -9.931642896e-01 4.26 -9.760688971e-01 -9.760688971e-01 4.28 -9.587343797e-01 -9.587343797e-01 4.30 -9.411860113e-01 -9.411860113e-01 4.32 -9.234548796e-01 -9.234548796e-01 4.34 -9.056064371e-01 -9.056064371e-01 4.36 -8.876035595e-01 -8.876035595e-01 4.38 -8.694698375e-01 -8.694698375e-01 4.40 -8.512278847e-01 -8.512278847e-01 4.42 -8.328994011e-01 -8.328994011e-01 4.44 -8.145052340e-01 -8.145052340e-01 4.46 -7.960654354e-01 -7.960654354e-01 4.48 -7.775993165e-01 -7.775993165e-01 4.50 -7.591254971e-01 -7.591254971e-01 4.52 -7.406619520e-01 -7.406619520e-01 4.54 -7.222260525e-01 -7.222260525e-01 4.56 -7.038346044e-01 -7.038346044e-01 4.58 -6.855038809e-01 -6.855038809e-01 4.60 -6.672496523e-01 -6.672496523e-01 4.62 -6.490872103e-01 -6.490872103e-01 4.64 -6.310313893e-01 -6.310313893e-01 4.66 -6.130965829e-01 -6.130965829e-01 4.68 -5.952967568e-01 -5.952967568e-01 4.70 -5.776454583e-01 -5.776454583e-01 4.72 -5.601558214e-01 -5.601558214e-01 4.74 -5.428405701e-01 -5.428405701e-01 4.76 -5.257120172e-01 -5.257120172e-01 4.78 -5.087820616e-01 -5.087820616e-01 4.80 -4.920621825e-01 -4.920621825e-01 4.82 -4.755634319e-01 -4.755634319e-01 4.84 -4.592964249e-01 -4.592964249e-01 4.86 -4.432713293e-01 -4.432713293e-01 4.88 -4.274978535e-01 -4.274978535e-01 4.90 -4.119852336e-01 -4.119852336e-01 4.92 -3.967422203e-01 -3.967422203e-01 4.94 -3.817770659e-01 -3.817770659e-01 4.96 -3.670975103e-01 -3.670975103e-01 4.98 -3.527107690e-01 -3.527107690e-01 5.00 -3.386235206e-01 -3.386235206e-01 5.02 -3.248418951e-01 -3.248418951e-01 5.04 -3.113714644e-01 -3.113714644e-01 5.06 -2.982172331e-01 -2.982172331e-01 5.08 -2.853836310e-01 -2.853836310e-01 5.10 -2.728745075e-01 -2.728745075e-01 5.12 -2.606931275e-01 -2.606931275e-01 5.14 -2.488421689e-01 -2.488421689e-01 5.16 -2.373237227e-01 -2.373237227e-01 5.18 -2.261392944e-01 -2.261392944e-01 5.20 -2.152898076e-01 -2.152898076e-01 5.22 -2.047756098e-01 -2.047756098e-01 5.24 -1.946019577e-01 -1.946019577e-01 5.26 -1.848293125e-01 -1.848293125e-01 5.28 -1.753794677e-01 -1.753794677e-01 5.30 -1.662517168e-01 -1.662517168e-01 5.32 -1.574446968e-01 -1.574446968e-01 5.34 -1.489564459e-01 -1.489564459e-01 5.36 -1.407844281e-01 -1.407844281e-01 5.38 -1.329255604e-01 -1.329255604e-01 5.40 -1.253762407e-01 -1.253762407e-01 5.42 -1.181323764e-01 -1.181323764e-01 5.44 -1.111894142e-01 -1.111894142e-01 5.46 -1.045423699e-01 -1.045423699e-01 5.48 -9.818585967e-02 -9.818585967e-02 5.50 -9.211413072e-02 -9.211413072e-02 5.52 -8.632109267e-02 -8.632109267e-02 5.54 -8.080034897e-02 -8.080034897e-02 5.56 -7.554522810e-02 -7.554522810e-02 5.58 -7.054881474e-02 -7.054881474e-02 5.60 -6.580398050e-02 -6.580398050e-02 5.62 -6.130341426e-02 -6.130341426e-02 5.64 -5.703965201e-02 -5.703965201e-02 5.66 -5.300510588e-02 -5.300510588e-02 5.68 -4.919209256e-02 -4.919209256e-02 5.70 -4.559286076e-02 -4.559286076e-02 5.72 -4.219961772e-02 -4.219961772e-02 5.74 -3.900455472e-02 -3.900455472e-02 5.76 -3.599987145e-02 -3.599987145e-02 5.78 -3.317779919e-02 -3.317779919e-02 5.80 -3.053062280e-02 -3.053062280e-02 5.82 -2.805070133e-02 -2.805070133e-02 5.84 -2.573048741e-02 -2.573048741e-02 5.86 -2.358280011e-02 -2.358280011e-02 5.88 -2.159956799e-02 -2.159956799e-02 5.90 -1.974838335e-02 -1.974838335e-02 5.92 -1.802289076e-02 -1.802289076e-02 5.94 -1.641684199e-02 -1.641684199e-02 5.96 -1.492411162e-02 -1.492411162e-02 5.98 -1.353871100e-02 -1.353871100e-02 6.00 -1.225480083e-02 -1.225480083e-02