# 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 = IdK2Li # 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 1.306513621e+06 1.306513621e+06 1.40 1.061826414e+06 1.061826414e+06 1.42 8.655655508e+05 8.655655508e+05 1.44 7.076384428e+05 7.076384428e+05 1.46 5.801605026e+05 5.801605026e+05 1.48 4.769489285e+05 4.769489285e+05 1.50 3.931389487e+05 3.931389487e+05 1.52 3.248895434e+05 3.248895434e+05 1.54 2.691579664e+05 2.691579664e+05 1.56 2.235261913e+05 2.235261913e+05 1.58 1.860665333e+05 1.860665333e+05 1.60 1.552376608e+05 1.552376608e+05 1.62 1.298034943e+05 1.298034943e+05 1.64 1.087698105e+05 1.087698105e+05 1.66 9.133485383e+04 9.133485383e+04 1.68 7.685028441e+04 7.685028441e+04 1.70 6.479032625e+04 6.479032625e+04 1.72 5.472763594e+04 5.472763594e+04 1.74 4.631396076e+04 4.631396076e+04 1.76 3.926482166e+04 3.926482166e+04 1.78 3.334724712e+04 3.334724712e+04 1.80 2.837004038e+04 2.837004038e+04 1.82 2.417593674e+04 2.417593674e+04 1.84 2.063527761e+04 2.063527761e+04 1.86 1.764091944e+04 1.764091944e+04 1.88 1.510419041e+04 1.510419041e+04 1.90 1.295152136e+04 1.295152136e+04 1.92 1.112176309e+04 1.112176309e+04 1.94 9.563972794e+03 9.563972794e+03 1.96 8.235646948e+03 8.235646948e+03 1.98 7.101252712e+03 7.101252712e+03 2.00 6.131036133e+03 6.131036133e+03 2.02 5.300031808e+03 5.300031808e+03 2.04 4.587258692e+03 4.587258692e+03 2.06 3.975046830e+03 3.975046830e+03 2.08 3.448500823e+03 3.448500823e+03 2.10 2.995037845e+03 2.995037845e+03 2.12 2.604013051e+03 2.604013051e+03 2.14 2.266406424e+03 2.266406424e+03 2.16 1.974566668e+03 1.974566668e+03 2.18 1.721989673e+03 1.721989673e+03 2.20 1.503136072e+03 1.503136072e+03 2.22 1.313288811e+03 1.313288811e+03 2.24 1.148421851e+03 1.148421851e+03 2.26 1.005093111e+03 1.005093111e+03 2.28 8.803581260e+02 8.803581260e+02 2.30 7.716936812e+02 7.716936812e+02 2.32 6.769358679e+02 6.769358679e+02 2.34 5.942248981e+02 5.942248981e+02 2.36 5.219601404e+02 5.219601404e+02 2.38 4.587628115e+02 4.587628115e+02 2.40 4.034476285e+02 4.034476285e+02 2.42 3.549898704e+02 3.549898704e+02 2.44 3.125039373e+02 3.125039373e+02 2.46 2.752239026e+02 2.752239026e+02 2.48 2.424861402e+02 2.424861402e+02 2.50 2.137156559e+02 2.137156559e+02 2.52 1.884135316e+02 1.884135316e+02 2.54 1.661467185e+02 1.661467185e+02 2.56 1.465375542e+02 1.465375542e+02 2.58 1.292577572e+02 1.292577572e+02 2.60 1.140210630e+02 1.140210630e+02 2.62 1.005777023e+02 1.005777023e+02 2.64 8.871042841e+01 8.871042841e+01 2.66 7.822901975e+01 7.822901975e+01 2.68 6.896695743e+01 6.896695743e+01 2.70 6.077848551e+01 6.077848551e+01 2.72 5.353591484e+01 5.353591484e+01 2.74 4.712712332e+01 4.712712332e+01 2.76 4.145392851e+01 4.145392851e+01 2.78 3.643022693e+01 3.643022693e+01 2.80 3.198041423e+01 3.198041423e+01 2.82 2.803774677e+01 2.803774677e+01 2.84 2.454337631e+01 2.454337631e+01 2.86 2.144564983e+01 2.144564983e+01 2.88 1.869916675e+01 1.869916675e+01 2.90 1.626366873e+01 1.626366873e+01 2.92 1.410374821e+01 1.410374821e+01 2.94 1.218815970e+01 1.218815970e+01 2.96 1.048930606e+01 1.048930606e+01 2.98 8.982802389e+00 8.982802389e+00 3.00 7.647081946e+00 7.647081946e+00 3.02 6.463065504e+00 6.463065504e+00 3.04 5.413867100e+00 5.413867100e+00 3.06 4.484507163e+00 4.484507163e+00 3.08 3.661722180e+00 3.661722180e+00 3.10 2.933822082e+00 2.933822082e+00 3.12 2.290383725e+00 2.290383725e+00 3.14 1.722157454e+00 1.722157454e+00 3.16 1.220930613e+00 1.220930613e+00 3.18 7.792000148e-01 7.792000148e-01 3.20 3.905156547e-01 3.905156547e-01 3.22 4.929415437e-02 4.929415437e-02 3.24 -2.495331268e-01 -2.495331268e-01 3.26 -5.105492156e-01 -5.105492156e-01 3.28 -7.378368354e-01 -7.378368354e-01 3.30 -9.350353470e-01 -9.350353470e-01 3.32 -1.105391037e+00 -1.105391037e+00 3.34 -1.251801538e+00 -1.251801538e+00 3.36 -1.376855069e+00 -1.376855069e+00 3.38 -1.482865122e+00 -1.482865122e+00 3.40 -1.571901106e+00 -1.571901106e+00 3.42 -1.645814520e+00 -1.645814520e+00 3.44 -1.706602237e+00 -1.706602237e+00 3.46 -1.755347900e+00 -1.755347900e+00 3.48 -1.793388612e+00 -1.793388612e+00 3.50 -1.821934475e+00 -1.821934475e+00 3.52 -1.842065802e+00 -1.842065802e+00 3.54 -1.854831822e+00 -1.854831822e+00 3.56 -1.861049668e+00 -1.861049668e+00 3.58 -1.861482561e+00 -1.861482561e+00 3.60 -1.856843091e+00 -1.856843091e+00 3.62 -1.847772082e+00 -1.847772082e+00 3.64 -1.834850801e+00 -1.834850801e+00 3.66 -1.818594544e+00 -1.818594544e+00 3.68 -1.799465779e+00 -1.799465779e+00 3.70 -1.777883186e+00 -1.777883186e+00 3.72 -1.754303100e+00 -1.754303100e+00 3.74 -1.728985570e+00 -1.728985570e+00 3.76 -1.702210960e+00 -1.702210960e+00 3.78 -1.674250956e+00 -1.674250956e+00 3.80 -1.645360877e+00 -1.645360877e+00 3.82 -1.615747249e+00 -1.615747249e+00 3.84 -1.585591629e+00 -1.585591629e+00 3.86 -1.555060869e+00 -1.555060869e+00 3.88 -1.524300902e+00 -1.524300902e+00 3.90 -1.493438517e+00 -1.493438517e+00 3.92 -1.462582224e+00 -1.462582224e+00 3.94 -1.431826419e+00 -1.431826419e+00 3.96 -1.401249977e+00 -1.401249977e+00 3.98 -1.370919096e+00 -1.370919096e+00 4.00 -1.340887967e+00 -1.340887967e+00 4.02 -1.311200273e+00 -1.311200273e+00 4.04 -1.281890352e+00 -1.281890352e+00 4.06 -1.252984309e+00 -1.252984309e+00 4.08 -1.224501045e+00 -1.224501045e+00 4.10 -1.196458421e+00 -1.196458421e+00 4.12 -1.168861137e+00 -1.168861137e+00 4.14 -1.141708091e+00 -1.141708091e+00 4.16 -1.114998662e+00 -1.114998662e+00 4.18 -1.088729207e+00 -1.088729207e+00 4.20 -1.062893692e+00 -1.062893692e+00 4.22 -1.037484261e+00 -1.037484261e+00 4.24 -1.012491733e+00 -1.012491733e+00 4.26 -9.879060400e-01 -9.879060400e-01 4.28 -9.637165990e-01 -9.637165990e-01 4.30 -9.399126250e-01 -9.399126250e-01 4.32 -9.164968812e-01 -9.164968812e-01 4.34 -8.935427533e-01 -8.935427533e-01 4.36 -8.709207977e-01 -8.709207977e-01 4.38 -8.486250663e-01 -8.486250663e-01 4.40 -8.266497693e-01 -8.266497693e-01 4.42 -8.049894163e-01 -8.049894163e-01 4.44 -7.836388990e-01 -7.836388990e-01 4.46 -7.625935508e-01 -7.625935508e-01 4.48 -7.418491860e-01 -7.418491860e-01 4.50 -7.214888270e-01 -7.214888270e-01 4.52 -7.014344520e-01 -7.014344520e-01 4.54 -6.816510233e-01 -6.816510233e-01 4.56 -6.621452610e-01 -6.621452610e-01 4.58 -6.429109389e-01 -6.429109389e-01 4.60 -6.239498088e-01 -6.239498088e-01 4.62 -6.052636051e-01 -6.052636051e-01 4.64 -5.868540742e-01 -5.868540742e-01 4.66 -5.687230021e-01 -5.687230021e-01 4.68 -5.508722354e-01 -5.508722354e-01 4.70 -5.333036967e-01 -5.333036967e-01 4.72 -5.160193941e-01 -5.160193941e-01 4.74 -4.990214256e-01 -4.990214256e-01 4.76 -4.823119783e-01 -4.823119783e-01 4.78 -4.658933233e-01 -4.658933233e-01 4.80 -4.497678060e-01 -4.497678060e-01 4.82 -4.339378298e-01 -4.339378298e-01 4.84 -4.184057309e-01 -4.184057309e-01 4.86 -4.031741188e-01 -4.031741188e-01 4.88 -3.882454708e-01 -3.882454708e-01 4.90 -3.736222427e-01 -3.736222427e-01 4.92 -3.593068430e-01 -3.593068430e-01 4.94 -3.453016050e-01 -3.453016050e-01 4.96 -3.316084472e-01 -3.316084472e-01 4.98 -3.182286997e-01 -3.182286997e-01 5.00 -3.051670722e-01 -3.051670722e-01 5.02 -2.924235475e-01 -2.924235475e-01 5.04 -2.799996723e-01 -2.799996723e-01 5.06 -2.678967495e-01 -2.678967495e-01 5.08 -2.561158131e-01 -2.561158131e-01 5.10 -2.446576051e-01 -2.446576051e-01 5.12 -2.335225543e-01 -2.335225543e-01 5.14 -2.227107570e-01 -2.227107570e-01 5.16 -2.122219606e-01 -2.122219606e-01 5.18 -2.020555488e-01 -2.020555488e-01 5.20 -1.922105306e-01 -1.922105306e-01 5.22 -1.826855310e-01 -1.826855310e-01 5.24 -1.734787852e-01 -1.734787852e-01 5.26 -1.645881350e-01 -1.645881350e-01 5.28 -1.560110282e-01 -1.560110282e-01 5.30 -1.477445212e-01 -1.477445212e-01 5.32 -1.397852833e-01 -1.397852833e-01 5.34 -1.321296044e-01 -1.321296044e-01 5.36 -1.247734047e-01 -1.247734047e-01 5.38 -1.177122470e-01 -1.177122470e-01 5.40 -1.109413503e-01 -1.109413503e-01 5.42 -1.044556067e-01 -1.044556067e-01 5.44 -9.824959864e-02 -9.824959864e-02 5.46 -9.231761885e-02 -9.231761885e-02 5.48 -8.665369071e-02 -8.665369071e-02 5.50 -8.125159033e-02 -8.125159033e-02 5.52 -7.610486938e-02 -7.610486938e-02 5.54 -7.120740026e-02 -7.120740026e-02 5.56 -6.655185639e-02 -6.655185639e-02 5.58 -6.213114918e-02 -6.213114918e-02 5.60 -5.793818126e-02 -5.793818126e-02 5.62 -5.396575043e-02 -5.396575043e-02 5.64 -5.020657388e-02 -5.020657388e-02 5.66 -4.665331188e-02 -4.665331188e-02 5.68 -4.329859104e-02 -4.329859104e-02 5.70 -4.013502678e-02 -4.013502678e-02 5.72 -3.715524503e-02 -3.715524503e-02 5.74 -3.435190301e-02 -3.435190301e-02 5.76 -3.171770901e-02 -3.171770901e-02 5.78 -2.924544107e-02 -2.924544107e-02 5.80 -2.692796450e-02 -2.692796450e-02 5.82 -2.475824825e-02 -2.475824825e-02 5.84 -2.272937998e-02 -2.272937998e-02 5.86 -2.083457992e-02 -2.083457992e-02 5.88 -1.906721344e-02 -1.906721344e-02 5.90 -1.742080232e-02 -1.742080232e-02 5.92 -1.588903480e-02 -1.588903480e-02 5.94 -1.446577430e-02 -1.446577430e-02 5.96 -1.314506699e-02 -1.314506699e-02 5.98 -1.192114811e-02 -1.192114811e-02 6.00 -1.078844713e-02 -1.078844713e-02