# 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 = CsNa2Rb # 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 1.441175664e+03 1.441175664e+03 1.30 1.350396863e+03 1.350396863e+03 1.32 1.265939157e+03 1.265939157e+03 1.34 1.187305179e+03 1.187305179e+03 1.36 1.114042730e+03 1.114042730e+03 1.38 1.045737861e+03 1.045737861e+03 1.40 9.820133122e+02 9.820133122e+02 1.42 9.225250889e+02 9.225250889e+02 1.44 8.669554581e+02 8.669554581e+02 1.46 8.150159829e+02 8.150159829e+02 1.48 7.664418417e+02 7.664418417e+02 1.50 7.209896453e+02 7.209896453e+02 1.52 6.784351665e+02 6.784351665e+02 1.54 6.385744488e+02 6.385744488e+02 1.56 6.012167711e+02 6.012167711e+02 1.58 5.661887062e+02 5.661887062e+02 1.60 5.333315507e+02 5.333315507e+02 1.62 5.024967894e+02 5.024967894e+02 1.64 4.735471354e+02 4.735471354e+02 1.66 4.463563897e+02 4.463563897e+02 1.68 4.208071559e+02 4.208071559e+02 1.70 3.967906083e+02 3.967906083e+02 1.72 3.742077254e+02 3.742077254e+02 1.74 3.529662364e+02 3.529662364e+02 1.76 3.329798146e+02 3.329798146e+02 1.78 3.141679150e+02 3.141679150e+02 1.80 2.964565004e+02 2.964565004e+02 1.82 2.797769845e+02 2.797769845e+02 1.84 2.640644985e+02 2.640644985e+02 1.86 2.492598655e+02 2.492598655e+02 1.88 2.353063261e+02 2.353063261e+02 1.90 2.221530848e+02 2.221530848e+02 1.92 2.097515220e+02 2.097515220e+02 1.94 1.980561217e+02 1.980561217e+02 1.96 1.870243370e+02 1.870243370e+02 1.98 1.766160561e+02 1.766160561e+02 2.00 1.667943908e+02 1.667943908e+02 2.02 1.575243620e+02 1.575243620e+02 2.04 1.487727415e+02 1.487727415e+02 2.06 1.405100200e+02 1.405100200e+02 2.08 1.327072706e+02 1.327072706e+02 2.10 1.253373898e+02 1.253373898e+02 2.12 1.183749186e+02 1.183749186e+02 2.14 1.117958363e+02 1.117958363e+02 2.16 1.055782153e+02 1.055782153e+02 2.18 9.970109621e+01 9.970109621e+01 2.20 9.414485410e+01 9.414485410e+01 2.22 8.889105059e+01 8.889105059e+01 2.24 8.392256666e+01 8.392256666e+01 2.26 7.922324804e+01 7.922324804e+01 2.28 7.477816485e+01 7.477816485e+01 2.30 7.057284916e+01 7.057284916e+01 2.32 6.659407755e+01 6.659407755e+01 2.34 6.283021225e+01 6.283021225e+01 2.36 5.926959978e+01 5.926959978e+01 2.38 5.590131863e+01 5.590131863e+01 2.40 5.271511648e+01 5.271511648e+01 2.42 4.970135184e+01 4.970135184e+01 2.44 4.685094063e+01 4.685094063e+01 2.46 4.415530776e+01 4.415530776e+01 2.48 4.160634404e+01 4.160634404e+01 2.50 3.919636813e+01 3.919636813e+01 2.52 3.691777190e+01 3.691777190e+01 2.54 3.476383354e+01 3.476383354e+01 2.56 3.272820635e+01 3.272820635e+01 2.58 3.080464407e+01 3.080464407e+01 2.60 2.898704219e+01 2.898704219e+01 2.62 2.726976629e+01 2.726976629e+01 2.64 2.564734041e+01 2.564734041e+01 2.66 2.411474939e+01 2.411474939e+01 2.68 2.266718406e+01 2.266718406e+01 2.70 2.129996612e+01 2.129996612e+01 2.72 2.000864222e+01 2.000864222e+01 2.74 1.878901033e+01 1.878901033e+01 2.76 1.763677650e+01 1.763677650e+01 2.78 1.654861268e+01 1.654861268e+01 2.80 1.552091766e+01 1.552091766e+01 2.82 1.455024407e+01 1.455024407e+01 2.84 1.363348167e+01 1.363348167e+01 2.86 1.276760762e+01 1.276760762e+01 2.88 1.194977233e+01 1.194977233e+01 2.90 1.117729054e+01 1.117729054e+01 2.92 1.044763258e+01 1.044763258e+01 2.94 9.758415972e+00 9.758415972e+00 2.96 9.107397291e+00 9.107397291e+00 2.98 8.492464333e+00 8.492464333e+00 3.00 7.911628616e+00 7.911628616e+00 3.02 7.363018204e+00 7.363018204e+00 3.04 6.844870879e+00 6.844870879e+00 3.06 6.355527646e+00 6.355527646e+00 3.08 5.893426589e+00 5.893426589e+00 3.10 5.457097059e+00 5.457097059e+00 3.12 5.045154181e+00 5.045154181e+00 3.14 4.656293671e+00 4.656293671e+00 3.16 4.289286943e+00 4.289286943e+00 3.18 3.942957199e+00 3.942957199e+00 3.20 3.616214208e+00 3.616214208e+00 3.22 3.308059177e+00 3.308059177e+00 3.24 3.017471572e+00 3.017471572e+00 3.26 2.743547891e+00 2.743547891e+00 3.28 2.485479771e+00 2.485479771e+00 3.30 2.242446953e+00 2.242446953e+00 3.32 2.013647278e+00 2.013647278e+00 3.34 1.798235553e+00 1.798235553e+00 3.36 1.595707489e+00 1.595707489e+00 3.38 1.405398431e+00 1.405398431e+00 3.40 1.226649992e+00 1.226649992e+00 3.42 1.058867220e+00 1.058867220e+00 3.44 9.015342701e-01 9.015342701e-01 3.46 7.541125997e-01 7.541125997e-01 3.48 6.160912685e-01 6.160912685e-01 3.50 4.869849483e-01 4.869849483e-01 3.52 3.663321353e-01 3.663321353e-01 3.54 2.536935541e-01 2.536935541e-01 3.56 1.486507411e-01 1.486507411e-01 3.58 5.080479332e-02 5.080479332e-02 3.60 -4.022886883e-02 -4.022886883e-02 3.62 -1.250911719e-01 -1.250911719e-01 3.64 -2.037805855e-01 -2.037805855e-01 3.66 -2.766394481e-01 -2.766394481e-01 3.68 -3.439930845e-01 -3.439930845e-01 3.70 -4.061505132e-01 -4.061505132e-01 3.72 -4.634051937e-01 -4.634051937e-01 3.74 -5.160357092e-01 -5.160357092e-01 3.76 -5.643063983e-01 -5.643063983e-01 3.78 -6.084679436e-01 -6.084679436e-01 3.80 -6.487579255e-01 -6.487579255e-01 3.82 -6.854013531e-01 -6.854013531e-01 3.84 -7.186386447e-01 -7.186386447e-01 3.86 -7.486395532e-01 -7.486395532e-01 3.88 -7.755917827e-01 -7.755917827e-01 3.90 -7.996764997e-01 -7.996764997e-01 3.92 -8.210644638e-01 -8.210644638e-01 3.94 -8.399165455e-01 -8.399165455e-01 3.96 -8.564068772e-01 -8.564068772e-01 3.98 -8.707483332e-01 -8.707483332e-01 4.00 -8.829591689e-01 -8.829591689e-01 4.02 -8.931693545e-01 -8.931693545e-01 4.04 -9.015009440e-01 -9.015009440e-01 4.06 -9.080685870e-01 -9.080685870e-01 4.08 -9.129800210e-01 -9.129800210e-01 4.10 -9.163365463e-01 -9.163365463e-01 4.12 -9.182334783e-01 -9.182334783e-01 4.14 -9.187605786e-01 -9.187605786e-01 4.16 -9.180024623e-01 -9.180024623e-01 4.18 -9.160389816e-01 -9.160389816e-01 4.20 -9.129455841e-01 -9.129455841e-01 4.22 -9.087936475e-01 -9.087936475e-01 4.24 -9.036507889e-01 -9.036507889e-01 4.26 -8.975811511e-01 -8.975811511e-01 4.28 -8.906456642e-01 -8.906456642e-01 4.30 -8.829022863e-01 -8.829022863e-01 4.32 -8.744062215e-01 -8.744062215e-01 4.34 -8.652101183e-01 -8.652101183e-01 4.36 -8.553642492e-01 -8.553642492e-01 4.38 -8.449166716e-01 -8.449166716e-01 4.40 -8.339133739e-01 -8.339133739e-01 4.42 -8.223984046e-01 -8.223984046e-01 4.44 -8.104139895e-01 -8.104139895e-01 4.46 -7.980006349e-01 -7.980006349e-01 4.48 -7.851972199e-01 -7.851972199e-01 4.50 -7.720883044e-01 -7.720883044e-01 4.52 -7.586697931e-01 -7.586697931e-01 4.54 -7.449576744e-01 -7.449576744e-01 4.56 -7.309868540e-01 -7.309868540e-01 4.58 -7.167906870e-01 -7.167906870e-01 4.60 -7.024010472e-01 -7.024010472e-01 4.62 -6.878483908e-01 -6.878483908e-01 4.64 -6.731618121e-01 -6.731618121e-01 4.66 -6.583690944e-01 -6.583690944e-01 4.68 -6.434967543e-01 -6.434967543e-01 4.70 -6.285700816e-01 -6.285700816e-01 4.72 -6.136131734e-01 -6.136131734e-01 4.74 -5.986489659e-01 -5.986489659e-01 4.76 -5.836992609e-01 -5.836992609e-01 4.78 -5.687847507e-01 -5.687847507e-01 4.80 -5.539250401e-01 -5.539250401e-01 4.82 -5.391386663e-01 -5.391386663e-01 4.84 -5.244431180e-01 -5.244431180e-01 4.86 -5.098548535e-01 -5.098548535e-01 4.88 -4.953893187e-01 -4.953893187e-01 4.90 -4.810609645e-01 -4.810609645e-01 4.92 -4.668832656e-01 -4.668832656e-01 4.94 -4.528687395e-01 -4.528687395e-01 4.96 -4.390289668e-01 -4.390289668e-01 4.98 -4.253746130e-01 -4.253746130e-01 5.00 -4.119154511e-01 -4.119154511e-01 5.02 -3.986603866e-01 -3.986603866e-01 5.04 -3.856174834e-01 -3.856174834e-01 5.06 -3.727939922e-01 -3.727939922e-01 5.08 -3.601963792e-01 -3.601963792e-01 5.10 -3.478303573e-01 -3.478303573e-01 5.12 -3.357009181e-01 -3.357009181e-01 5.14 -3.238123650e-01 -3.238123650e-01 5.16 -3.121683474e-01 -3.121683474e-01 5.18 -3.007718952e-01 -3.007718952e-01 5.20 -2.896254539e-01 -2.896254539e-01 5.22 -2.787309201e-01 -2.787309201e-01 5.24 -2.680896758e-01 -2.680896758e-01 5.26 -2.577026237e-01 -2.577026237e-01 5.28 -2.475702205e-01 -2.475702205e-01 5.30 -2.376925104e-01 -2.376925104e-01 5.32 -2.280691564e-01 -2.280691564e-01 5.34 -2.186994712e-01 -2.186994712e-01 5.36 -2.095824458e-01 -2.095824458e-01 5.38 -2.007167771e-01 -2.007167771e-01 5.40 -1.921008931e-01 -1.921008931e-01 5.42 -1.837329770e-01 -1.837329770e-01 5.44 -1.756109883e-01 -1.756109883e-01 5.46 -1.677326835e-01 -1.677326835e-01 5.48 -1.600956334e-01 -1.600956334e-01 5.50 -1.526972393e-01 -1.526972393e-01 5.52 -1.455347478e-01 -1.455347478e-01 5.54 -1.386052627e-01 -1.386052627e-01 5.56 -1.319057567e-01 -1.319057567e-01 5.58 -1.254330804e-01 -1.254330804e-01 5.60 -1.191946413e-01 -1.191946413e-01 5.62 -1.132079518e-01 -1.132079518e-01 5.64 -1.074319232e-01 -1.074319232e-01 5.66 -1.018636741e-01 -1.018636741e-01 5.68 -9.650016677e-02 -9.650016677e-02 5.70 -9.133821671e-02 -9.133821671e-02 5.72 -8.637450010e-02 -8.637450010e-02 5.74 -8.160556170e-02 -8.160556170e-02 5.76 -7.702782217e-02 -7.702782217e-02 5.78 -7.263758510e-02 -7.263758510e-02 5.80 -6.843104401e-02 -6.843104401e-02 5.82 -6.440428919e-02 -6.440428919e-02 5.84 -6.055331470e-02 -6.055331470e-02 5.86 -5.687402540e-02 -5.687402540e-02 5.88 -5.337050794e-02 -5.337050794e-02 5.90 -5.005229202e-02 -5.005229202e-02 5.92 -4.688789041e-02 -4.688789041e-02 5.94 -4.387360312e-02 -4.387360312e-02 5.96 -4.100560257e-02 -4.100560257e-02 5.98 -3.827994879e-02 -3.827994879e-02 6.00 -3.569260434e-02 -3.569260434e-02