# 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 = CsF2Id # 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 2.348528811e+05 2.348528811e+05 1.38 1.931168102e+05 1.931168102e+05 1.40 1.592423102e+05 1.592423102e+05 1.42 1.316656349e+05 1.316656349e+05 1.44 1.091506904e+05 1.091506904e+05 1.46 9.071624031e+04 9.071624031e+04 1.48 7.558129308e+04 7.558129308e+04 1.50 6.312213796e+04 6.312213796e+04 1.52 5.283908752e+04 5.283908752e+04 1.54 4.433064092e+04 4.433064092e+04 1.56 3.727344249e+04 3.727344249e+04 1.58 3.140599061e+04 3.140599061e+04 1.60 2.651651326e+04 2.651651326e+04 1.62 2.243286060e+04 2.243286060e+04 1.64 1.901479105e+04 1.901479105e+04 1.66 1.614775116e+04 1.614775116e+04 1.68 1.373786047e+04 1.373786047e+04 1.70 1.170823535e+04 1.170823535e+04 1.72 9.995546796e+03 9.995546796e+03 1.74 8.547530168e+03 8.547530168e+03 1.76 7.321035659e+03 7.321035659e+03 1.78 6.280330355e+03 6.280330355e+03 1.80 5.395703349e+03 5.395703349e+03 1.82 4.642468385e+03 4.642468385e+03 1.84 4.000059056e+03 4.000059056e+03 1.86 3.451284988e+03 3.451284988e+03 1.88 2.981759336e+03 2.981759336e+03 1.90 2.579424324e+03 2.579424324e+03 1.92 2.234149261e+03 2.234149261e+03 1.94 1.937416941e+03 1.937416941e+03 1.96 1.682034116e+03 1.682034116e+03 1.98 1.461932263e+03 1.461932263e+03 2.00 1.271998516e+03 1.271998516e+03 2.02 1.107885022e+03 1.107885022e+03 2.04 9.659030171e+02 9.659030171e+02 2.06 8.429143769e+02 8.429143769e+02 2.08 7.362489440e+02 7.362489440e+02 2.10 6.436387973e+02 6.436387973e+02 2.12 5.631379496e+02 5.631379496e+02 2.14 4.930881407e+02 4.930881407e+02 2.16 4.320685334e+02 4.320685334e+02 2.18 3.788547290e+02 3.788547290e+02 2.20 3.324014967e+02 3.324014967e+02 2.22 2.918156875e+02 2.918156875e+02 2.24 2.563216676e+02 2.563216676e+02 2.26 2.252524289e+02 2.252524289e+02 2.28 1.980322178e+02 1.980322178e+02 2.30 1.741634497e+02 1.741634497e+02 2.32 1.532158762e+02 1.532158762e+02 2.34 1.348168386e+02 1.348168386e+02 2.36 1.186439492e+02 1.186439492e+02 2.38 1.044173094e+02 1.044173094e+02 2.40 9.189313515e+01 9.189313515e+01 2.42 8.086113299e+01 8.086113299e+01 2.44 7.113749400e+01 7.113749400e+01 2.46 6.256212272e+01 6.256212272e+01 2.48 5.499543619e+01 5.499543619e+01 2.50 4.831342994e+01 4.831342994e+01 2.52 4.241202509e+01 4.241202509e+01 2.54 3.719830329e+01 3.719830329e+01 2.56 3.259064386e+01 3.259064386e+01 2.58 2.851745205e+01 2.851745205e+01 2.60 2.491597692e+01 2.491597692e+01 2.62 2.173113365e+01 2.173113365e+01 2.64 1.891488297e+01 1.891488297e+01 2.66 1.642418566e+01 1.642418566e+01 2.68 1.422172992e+01 1.422172992e+01 2.70 1.227482282e+01 1.227482282e+01 2.72 1.055249808e+01 1.055249808e+01 2.74 9.030369418e+00 9.030369418e+00 2.76 7.686214565e+00 7.686214565e+00 2.78 6.499810689e+00 6.499810689e+00 2.80 5.453261002e+00 5.453261002e+00 2.82 4.530516888e+00 4.530516888e+00 2.84 3.717521004e+00 3.717521004e+00 2.86 3.002106486e+00 3.002106486e+00 2.88 2.373219183e+00 2.373219183e+00 2.90 1.820981315e+00 1.820981315e+00 2.92 1.336645347e+00 1.336645347e+00 2.94 9.124394335e-01 9.124394335e-01 2.96 5.414553275e-01 5.414553275e-01 2.98 2.175526765e-01 2.175526765e-01 3.00 -6.561922440e-02 -6.561922440e-02 3.02 -3.121622804e-01 -3.121622804e-01 3.04 -5.260668069e-01 -5.260668069e-01 3.06 -7.111304565e-01 -7.111304565e-01 3.08 -8.707649763e-01 -8.707649763e-01 3.10 -1.007989097e+00 -1.007989097e+00 3.12 -1.125470879e+00 -1.125470879e+00 3.14 -1.225565394e+00 -1.225565394e+00 3.16 -1.310348543e+00 -1.310348543e+00 3.18 -1.381683040e+00 -1.381683040e+00 3.20 -1.441172852e+00 -1.441172852e+00 3.22 -1.490174109e+00 -1.490174109e+00 3.24 -1.530079027e+00 -1.530079027e+00 3.26 -1.561889535e+00 -1.561889535e+00 3.28 -1.586458084e+00 -1.586458084e+00 3.30 -1.604614555e+00 -1.604614555e+00 3.32 -1.617116145e+00 -1.617116145e+00 3.34 -1.624627804e+00 -1.624627804e+00 3.36 -1.627660409e+00 -1.627660409e+00 3.38 -1.626704486e+00 -1.626704486e+00 3.40 -1.622196570e+00 -1.622196570e+00 3.42 -1.614522019e+00 -1.614522019e+00 3.44 -1.604022285e+00 -1.604022285e+00 3.46 -1.591001256e+00 -1.591001256e+00 3.48 -1.575731080e+00 -1.575731080e+00 3.50 -1.558964459e+00 -1.558964459e+00 3.52 -1.540330255e+00 -1.540330255e+00 3.54 -1.520003024e+00 -1.520003024e+00 3.56 -1.498190709e+00 -1.498190709e+00 3.58 -1.475082046e+00 -1.475082046e+00 3.60 -1.450849924e+00 -1.450849924e+00 3.62 -1.425653518e+00 -1.425653518e+00 3.64 -1.399651647e+00 -1.399651647e+00 3.66 -1.372977744e+00 -1.372977744e+00 3.68 -1.345750632e+00 -1.345750632e+00 3.70 -1.318340237e+00 -1.318340237e+00 3.72 -1.290550470e+00 -1.290550470e+00 3.74 -1.262494722e+00 -1.262494722e+00 3.76 -1.234278014e+00 -1.234278014e+00 3.78 -1.205997459e+00 -1.205997459e+00 3.80 -1.177742556e+00 -1.177742556e+00 3.82 -1.149595430e+00 -1.149595430e+00 3.84 -1.121658445e+00 -1.121658445e+00 3.86 -1.093967921e+00 -1.093967921e+00 3.88 -1.066582320e+00 -1.066582320e+00 3.90 -1.039557517e+00 -1.039557517e+00 3.92 -1.012942650e+00 -1.012942650e+00 3.94 -9.867803904e-01 -9.867803904e-01 3.96 -9.611061276e-01 -9.611061276e-01 3.98 -9.359510946e-01 -9.359510946e-01 4.00 -9.113413297e-01 -9.113413297e-01 4.02 -8.873768144e-01 -8.873768144e-01 4.04 -8.639900425e-01 -8.639900425e-01 4.06 -8.411823253e-01 -8.411823253e-01 4.08 -8.189624476e-01 -8.189624476e-01 4.10 -7.973355945e-01 -7.973355945e-01 4.12 -7.763037809e-01 -7.763037809e-01 4.14 -7.558662649e-01 -7.558662649e-01 4.16 -7.360199410e-01 -7.360199410e-01 4.18 -7.167597072e-01 -7.167597072e-01 4.20 -6.980788001e-01 -6.980788001e-01 4.22 -6.799690972e-01 -6.799690972e-01 4.24 -6.624213926e-01 -6.624213926e-01 4.26 -6.454541122e-01 -6.454541122e-01 4.28 -6.290266223e-01 -6.290266223e-01 4.30 -6.131245723e-01 -6.131245723e-01 4.32 -5.977366248e-01 -5.977366248e-01 4.34 -5.828514205e-01 -5.828514205e-01 4.36 -5.684571814e-01 -5.684571814e-01 4.38 -5.545418449e-01 -5.545418449e-01 4.40 -5.410931233e-01 -5.410931233e-01 4.42 -5.280985115e-01 -5.280985115e-01 4.44 -5.155452827e-01 -5.155452827e-01 4.46 -5.034204763e-01 -5.034204763e-01 4.48 -4.917108822e-01 -4.917108822e-01 4.50 -4.804897278e-01 -4.804897278e-01 4.52 -4.696684008e-01 -4.696684008e-01 4.54 -4.591992325e-01 -4.591992325e-01 4.56 -4.490716587e-01 -4.490716587e-01 4.58 -4.392742578e-01 -4.392742578e-01 4.60 -4.297948250e-01 -4.297948250e-01 4.62 -4.206204501e-01 -4.206204501e-01 4.64 -4.117376010e-01 -4.117376010e-01 4.66 -4.031316321e-01 -4.031316321e-01 4.68 -3.947839425e-01 -3.947839425e-01 4.70 -3.866849936e-01 -3.866849936e-01 4.72 -3.788195939e-01 -3.788195939e-01 4.74 -3.711723899e-01 -3.711723899e-01 4.76 -3.637279597e-01 -3.637279597e-01 4.78 -3.564709052e-01 -3.564709052e-01 4.80 -3.493859434e-01 -3.493859434e-01 4.82 -3.424579948e-01 -3.424579948e-01 4.84 -3.356722690e-01 -3.356722690e-01 4.86 -3.290143471e-01 -3.290143471e-01 4.88 -3.224702598e-01 -3.224702598e-01 4.90 -3.160265604e-01 -3.160265604e-01 4.92 -3.096703940e-01 -3.096703940e-01 4.94 -3.033895599e-01 -3.033895599e-01 4.96 -2.971724790e-01 -2.971724790e-01 4.98 -2.910081289e-01 -2.910081289e-01 5.00 -2.848870397e-01 -2.848870397e-01 5.02 -2.788001371e-01 -2.788001371e-01 5.04 -2.727392275e-01 -2.727392275e-01 5.06 -2.666970237e-01 -2.666970237e-01 5.08 -2.606671645e-01 -2.606671645e-01 5.10 -2.546442273e-01 -2.546442273e-01 5.12 -2.486237344e-01 -2.486237344e-01 5.14 -2.426021530e-01 -2.426021530e-01 5.16 -2.365768881e-01 -2.365768881e-01 5.18 -2.305470805e-01 -2.305470805e-01 5.20 -2.245114210e-01 -2.245114210e-01 5.22 -2.185953631e-01 -2.185953631e-01 5.24 -2.126877967e-01 -2.126877967e-01 5.26 -2.067553216e-01 -2.067553216e-01 5.28 -2.008031519e-01 -2.008031519e-01 5.30 -1.948369569e-01 -1.948369569e-01 5.32 -1.888628328e-01 -1.888628328e-01 5.34 -1.828872697e-01 -1.828872697e-01 5.36 -1.769171145e-01 -1.769171145e-01 5.38 -1.709595290e-01 -1.709595290e-01 5.40 -1.650219454e-01 -1.650219454e-01 5.42 -1.591120182e-01 -1.591120182e-01 5.44 -1.532375727e-01 -1.532375727e-01 5.46 -1.474065532e-01 -1.474065532e-01 5.48 -1.416269679e-01 -1.416269679e-01 5.50 -1.359068338e-01 -1.359068338e-01 5.52 -1.302541215e-01 -1.302541215e-01 5.54 -1.246766992e-01 -1.246766992e-01 5.56 -1.191822789e-01 -1.191822789e-01 5.58 -1.137783632e-01 -1.137783632e-01 5.60 -1.084721944e-01 -1.084721944e-01 5.62 -1.032707060e-01 -1.032707060e-01 5.64 -9.818047738e-02 -9.818047738e-02 5.66 -9.320769228e-02 -9.320769228e-02 5.68 -8.835810038e-02 -8.835810038e-02 5.70 -8.363698384e-02 -8.363698384e-02 5.72 -7.904912801e-02 -7.904912801e-02 5.74 -7.460733044e-02 -7.460733044e-02 5.76 -7.032394465e-02 -7.032394465e-02 5.78 -6.618141067e-02 -6.618141067e-02 5.80 -6.218272168e-02 -6.218272168e-02 5.82 -5.833026398e-02 -5.833026398e-02 5.84 -5.462582031e-02 -5.462582031e-02 5.86 -5.107057769e-02 -5.107057769e-02 5.88 -4.766513960e-02 -4.766513960e-02 5.90 -4.440954233e-02 -4.440954233e-02 5.92 -4.130327508e-02 -4.130327508e-02 5.94 -3.834530360e-02 -3.834530360e-02 5.96 -3.553409695e-02 -3.553409695e-02 5.98 -3.286765702e-02 -3.286765702e-02 6.00 -3.034355031e-02 -3.034355031e-02