# 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 = ClId2K # 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 nan nan 1.22 nan nan 1.24 nan nan 1.26 nan nan 1.28 nan nan 1.30 nan nan 1.32 nan nan 1.34 nan nan 1.36 nan nan 1.38 nan nan 1.40 9.912450189e+05 9.912450189e+05 1.42 8.109306038e+05 8.109306038e+05 1.44 6.652370806e+05 6.652370806e+05 1.46 5.471737511e+05 5.471737511e+05 1.48 4.512290712e+05 4.512290712e+05 1.50 3.730442971e+05 3.730442971e+05 1.52 3.091611093e+05 3.091611093e+05 1.54 2.568273323e+05 2.568273323e+05 1.56 2.138463025e+05 2.138463025e+05 1.58 1.784593191e+05 1.784593191e+05 1.60 1.492546527e+05 1.492546527e+05 1.62 1.250959717e+05 1.250959717e+05 1.64 1.050657122e+05 1.050657122e+05 1.66 8.842148205e+04 8.842148205e+04 1.68 7.456103000e+04 7.456103000e+04 1.70 6.299434585e+04 6.299434585e+04 1.72 5.332195942e+04 5.332195942e+04 1.74 4.521741706e+04 4.521741706e+04 1.76 3.841328142e+04 3.841328142e+04 1.78 3.268996091e+04 3.268996091e+04 1.80 2.786683507e+04 2.786683507e+04 1.82 2.379489181e+04 2.379489181e+04 1.84 2.035102567e+04 2.035102567e+04 1.86 1.743327009e+04 1.743327009e+04 1.88 1.495705875e+04 1.495705875e+04 1.90 1.285208690e+04 1.285208690e+04 1.92 1.105981339e+04 1.105981339e+04 1.94 9.531354282e+03 9.531354282e+03 1.96 8.225849934e+03 8.225849934e+03 1.98 7.109086088e+03 7.109086088e+03 2.00 6.152357226e+03 6.152357226e+03 2.02 5.331538754e+03 5.331538754e+03 2.04 4.626326177e+03 4.626326177e+03 2.06 4.019593707e+03 4.019593707e+03 2.08 3.496870341e+03 3.496870341e+03 2.10 3.045920696e+03 3.045920696e+03 2.12 2.656378455e+03 2.656378455e+03 2.14 2.319448639e+03 2.319448639e+03 2.16 2.027666241e+03 2.027666241e+03 2.18 1.774666919e+03 1.774666919e+03 2.20 1.555023400e+03 1.555023400e+03 2.22 1.364111868e+03 1.364111868e+03 2.24 1.197982155e+03 1.197982155e+03 2.26 1.053246090e+03 1.053246090e+03 2.28 9.270058705e+02 9.270058705e+02 2.30 8.167749644e+02 8.167749644e+02 2.32 7.204186906e+02 7.204186906e+02 2.34 6.360975633e+02 6.360975633e+02 2.36 5.622282302e+02 5.622282302e+02 2.38 4.974459151e+02 4.974459151e+02 2.40 4.405725976e+02 4.405725976e+02 2.42 3.905903013e+02 3.905903013e+02 2.44 3.466182259e+02 3.466182259e+02 2.46 3.078955133e+02 3.078955133e+02 2.48 2.737602201e+02 2.737602201e+02 2.50 2.436368723e+02 2.436368723e+02 2.52 2.170272868e+02 2.170272868e+02 2.54 1.934992452e+02 1.934992452e+02 2.56 1.726741539e+02 1.726741539e+02 2.58 1.542235587e+02 1.542235587e+02 2.60 1.378605614e+02 1.378605614e+02 2.62 1.233354071e+02 1.233354071e+02 2.64 1.104299286e+02 1.104299286e+02 2.66 9.895292528e+01 9.895292528e+01 2.68 8.873707232e+01 8.873707232e+01 2.70 7.963569627e+01 7.963569627e+01 2.72 7.152013592e+01 7.152013592e+01 2.74 6.427734140e+01 6.427734140e+01 2.76 5.780818161e+01 5.780818161e+01 2.78 5.202425303e+01 5.202425303e+01 2.80 4.685064826e+01 4.685064826e+01 2.82 4.221929386e+01 4.221929386e+01 2.84 3.806944993e+01 3.806944993e+01 2.86 3.434768420e+01 3.434768420e+01 2.88 3.100817077e+01 3.100817077e+01 2.90 2.800945860e+01 2.800945860e+01 2.92 2.531481574e+01 2.531481574e+01 2.94 2.289166773e+01 2.289166773e+01 2.96 2.071109282e+01 2.071109282e+01 2.98 1.874738507e+01 1.874738507e+01 3.00 1.697767352e+01 1.697767352e+01 3.02 1.538159012e+01 1.538159012e+01 3.04 1.394098031e+01 1.394098031e+01 3.06 1.263963603e+01 1.263963603e+01 3.08 1.146309846e+01 1.146309846e+01 3.10 1.039849180e+01 1.039849180e+01 3.12 9.434302660e+00 9.434302660e+00 3.14 8.560225463e+00 8.560225463e+00 3.16 7.767060590e+00 7.767060590e+00 3.18 7.046547641e+00 7.046547641e+00 3.20 6.391463708e+00 6.391463708e+00 3.22 5.795136499e+00 5.795136499e+00 3.24 5.251777144e+00 5.251777144e+00 3.26 4.756167527e+00 4.756167527e+00 3.28 4.303654722e+00 4.303654722e+00 3.30 3.890263615e+00 3.890263615e+00 3.32 3.512159499e+00 3.512159499e+00 3.34 3.165959176e+00 3.165959176e+00 3.36 2.848719179e+00 2.848719179e+00 3.38 2.557807699e+00 2.557807699e+00 3.40 2.290868087e+00 2.290868087e+00 3.42 2.045787943e+00 2.045787943e+00 3.44 1.820665698e+00 1.820665698e+00 3.46 1.613787624e+00 1.613787624e+00 3.48 1.423606659e+00 1.423606659e+00 3.50 1.248721514e+00 1.248721514e+00 3.52 1.087861350e+00 1.087861350e+00 3.54 9.398658247e-01 9.398658247e-01 3.56 8.036768598e-01 8.036768598e-01 3.58 6.783272186e-01 6.783272186e-01 3.60 5.629305129e-01 5.629305129e-01 3.62 4.566731592e-01 4.566731592e-01 3.64 3.582886558e-01 3.582886558e-01 3.66 2.674395418e-01 2.674395418e-01 3.68 1.836745948e-01 1.836745948e-01 3.70 1.065614268e-01 1.065614268e-01 3.72 3.555009459e-02 3.555009459e-02 3.74 -2.988621873e-02 -2.988621873e-02 3.76 -9.022822457e-02 -9.022822457e-02 3.78 -1.459143388e-01 -1.459143388e-01 3.80 -1.973156433e-01 -1.973156433e-01 3.82 -2.448142639e-01 -2.448142639e-01 3.84 -2.887577745e-01 -2.887577745e-01 3.86 -3.294459599e-01 -3.294459599e-01 3.88 -3.671507390e-01 -3.671507390e-01 3.90 -4.021183112e-01 -4.021183112e-01 3.92 -4.345711376e-01 -4.345711376e-01 3.94 -4.647097831e-01 -4.647097831e-01 3.96 -4.927146427e-01 -4.927146427e-01 3.98 -5.187475702e-01 -5.187475702e-01 4.00 -5.429534234e-01 -5.429534234e-01 4.02 -5.654615540e-01 -5.654615540e-01 4.04 -5.866178352e-01 -5.866178352e-01 4.06 -6.062735932e-01 -6.062735932e-01 4.08 -6.244910235e-01 -6.244910235e-01 4.10 -6.413570081e-01 -6.413570081e-01 4.12 -6.569546012e-01 -6.569546012e-01 4.14 -6.713545704e-01 -6.713545704e-01 4.16 -6.846190887e-01 -6.846190887e-01 4.18 -6.968034393e-01 -6.968034393e-01 4.20 -7.079570439e-01 -7.079570439e-01 4.22 -7.181243965e-01 -7.181243965e-01 4.24 -7.273458976e-01 -7.273458976e-01 4.26 -7.356496530e-01 -7.356496530e-01 4.28 -7.430789995e-01 -7.430789995e-01 4.30 -7.496672821e-01 -7.496672821e-01 4.32 -7.554514998e-01 -7.554514998e-01 4.34 -7.605025241e-01 -7.605025241e-01 4.36 -7.647884400e-01 -7.647884400e-01 4.38 -7.683379685e-01 -7.683379685e-01 4.40 -7.711789092e-01 -7.711789092e-01 4.42 -7.733382635e-01 -7.733382635e-01 4.44 -7.748423179e-01 -7.748423179e-01 4.46 -7.757166907e-01 -7.757166907e-01 4.48 -7.759863499e-01 -7.759863499e-01 4.50 -7.758490178e-01 -7.758490178e-01 4.52 -7.751786285e-01 -7.751786285e-01 4.54 -7.739308864e-01 -7.739308864e-01 4.56 -7.721355675e-01 -7.721355675e-01 4.58 -7.698205577e-01 -7.698205577e-01 4.60 -7.670119494e-01 -7.670119494e-01 4.62 -7.637340628e-01 -7.637340628e-01 4.64 -7.600090745e-01 -7.600090745e-01 4.66 -7.558590586e-01 -7.558590586e-01 4.68 -7.513038624e-01 -7.513038624e-01 4.70 -7.463620075e-01 -7.463620075e-01 4.72 -7.410847678e-01 -7.410847678e-01 4.74 -7.354724504e-01 -7.354724504e-01 4.76 -7.295136098e-01 -7.295136098e-01 4.78 -7.232234466e-01 -7.232234466e-01 4.80 -7.166161726e-01 -7.166161726e-01 4.82 -7.097050940e-01 -7.097050940e-01 4.84 -7.025021586e-01 -7.025021586e-01 4.86 -6.950198796e-01 -6.950198796e-01 4.88 -6.872694731e-01 -6.872694731e-01 4.90 -6.792616348e-01 -6.792616348e-01 4.92 -6.710066225e-01 -6.710066225e-01 4.94 -6.625143341e-01 -6.625143341e-01 4.96 -6.537942932e-01 -6.537942932e-01 4.98 -6.448550621e-01 -6.448550621e-01 5.00 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