# 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 = CsF2Rb # 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 1.073151154e+06 nan 1.22 nan nan 1.24 nan nan 1.26 nan nan 1.28 4.380488249e+05 4.380488249e+05 1.30 3.531457444e+05 3.531457444e+05 1.32 2.856122409e+05 2.856122409e+05 1.34 2.317102996e+05 2.317102996e+05 1.36 1.885463920e+05 1.885463920e+05 1.38 1.538705375e+05 1.538705375e+05 1.40 1.259262443e+05 1.259262443e+05 1.42 1.033389445e+05 1.033389445e+05 1.44 8.502833643e+04 8.502833643e+04 1.46 7.014199315e+04 7.014199315e+04 1.48 5.800631633e+04 5.800631633e+04 1.50 4.808664079e+04 4.808664079e+04 1.52 3.995704933e+04 3.995704933e+04 1.54 3.327740990e+04 3.327740990e+04 1.56 2.777584044e+04 2.777584044e+04 1.58 2.323372432e+04 2.323372432e+04 1.60 1.947497788e+04 1.947497788e+04 1.62 1.635739409e+04 1.635739409e+04 1.64 1.376590599e+04 1.376590599e+04 1.66 1.160713180e+04 1.160713180e+04 1.68 9.805072486e+03 9.805072486e+03 1.70 8.297717122e+03 8.297717122e+03 1.72 7.034335314e+03 7.034335314e+03 1.74 5.973312402e+03 5.973312402e+03 1.76 5.080679533e+03 5.080679533e+03 1.78 4.328342628e+03 4.328342628e+03 1.80 3.693114753e+03 3.693114753e+03 1.82 3.155826802e+03 3.155826802e+03 1.84 2.700602024e+03 2.700602024e+03 1.86 2.314235172e+03 2.314235172e+03 1.88 1.985812748e+03 1.985812748e+03 1.90 1.706225349e+03 1.706225349e+03 1.92 1.467846394e+03 1.467846394e+03 1.94 1.264298526e+03 1.264298526e+03 1.96 1.090239129e+03 1.090239129e+03 1.98 9.411854903e+02 9.411854903e+02 2.00 8.133692658e+02 8.133692658e+02 2.02 7.036066954e+02 7.036066954e+02 2.04 6.092261500e+02 6.092261500e+02 2.06 5.279771446e+02 5.279771446e+02 2.08 4.579403133e+02 4.579403133e+02 2.10 3.974990285e+02 3.974990285e+02 2.12 3.452783325e+02 3.452783325e+02 2.14 3.001069125e+02 3.001069125e+02 2.16 2.609907633e+02 2.609907633e+02 2.18 2.270817235e+02 2.270817235e+02 2.20 1.976557153e+02 1.976557153e+02 2.22 1.720940645e+02 1.720940645e+02 2.24 1.498558890e+02 1.498558890e+02 2.26 1.304956590e+02 1.304956590e+02 2.28 1.136324633e+02 1.136324633e+02 2.30 9.893104617e+01 9.893104617e+01 2.32 8.610358895e+01 8.610358895e+01 2.34 7.490205636e+01 7.490205636e+01 2.36 6.511346148e+01 6.511346148e+01 2.38 5.655389930e+01 5.655389930e+01 2.40 4.906396718e+01 4.906396718e+01 2.42 4.250668108e+01 4.250668108e+01 2.44 3.676303872e+01 3.676303872e+01 2.46 3.172991417e+01 3.172991417e+01 2.48 2.731659824e+01 2.731659824e+01 2.50 2.344686340e+01 2.344686340e+01 2.52 2.005319832e+01 2.005319832e+01 2.54 1.707560760e+01 1.707560760e+01 2.56 1.445977968e+01 1.445977968e+01 2.58 1.216612149e+01 1.216612149e+01 2.60 1.015538754e+01 1.015538754e+01 2.62 8.393162551e+00 8.393162551e+00 2.64 6.849563095e+00 6.849563095e+00 2.66 5.498457810e+00 5.498457810e+00 2.68 4.316901898e+00 4.316901898e+00 2.70 3.284746207e+00 3.284746207e+00 2.72 2.383931550e+00 2.383931550e+00 2.74 1.598716349e+00 1.598716349e+00 2.76 9.159223500e-01 9.159223500e-01 2.78 3.234830201e-01 3.234830201e-01 2.80 -1.892205335e-01 -1.892205335e-01 2.82 -6.315430077e-01 -6.315430077e-01 2.84 -1.011732324e+00 -1.011732324e+00 2.86 -1.337059188e+00 -1.337059188e+00 2.88 -1.613942765e+00 -1.613942765e+00 2.90 -1.848086693e+00 -1.848086693e+00 2.92 -2.044515728e+00 -2.044515728e+00 2.94 -2.207678293e+00 -2.207678293e+00 2.96 -2.341515473e+00 -2.341515473e+00 2.98 -2.449521244e+00 -2.449521244e+00 3.00 -2.534795073e+00 -2.534795073e+00 3.02 -2.600252205e+00 -2.600252205e+00 3.04 -2.649160068e+00 -2.649160068e+00 3.06 -2.682621867e+00 -2.682621867e+00 3.08 -2.702430845e+00 -2.702430845e+00 3.10 -2.710331526e+00 -2.710331526e+00 3.12 -2.707871975e+00 -2.707871975e+00 3.14 -2.696425744e+00 -2.696425744e+00 3.16 -2.677210840e+00 -2.677210840e+00 3.18 -2.651325830e+00 -2.651325830e+00 3.20 -2.619725624e+00 -2.619725624e+00 3.22 -2.583225780e+00 -2.583225780e+00 3.24 -2.542722725e+00 -2.542722725e+00 3.26 -2.498919244e+00 -2.498919244e+00 3.28 -2.452145520e+00 -2.452145520e+00 3.30 -2.402919573e+00 -2.402919573e+00 3.32 -2.351696811e+00 -2.351696811e+00 3.34 -2.298902517e+00 -2.298902517e+00 3.36 -2.244870405e+00 -2.244870405e+00 3.38 -2.189902835e+00 -2.189902835e+00 3.40 -2.134299855e+00 -2.134299855e+00 3.42 -2.078298016e+00 -2.078298016e+00 3.44 -2.022056510e+00 -2.022056510e+00 3.46 -1.965760493e+00 -1.965760493e+00 3.48 -1.909572091e+00 -1.909572091e+00 3.50 -1.853633175e+00 -1.853633175e+00 3.52 -1.798067391e+00 -1.798067391e+00 3.54 -1.742985656e+00 -1.742985656e+00 3.56 -1.688485903e+00 -1.688485903e+00 3.58 -1.634653701e+00 -1.634653701e+00 3.60 -1.581564741e+00 -1.581564741e+00 3.62 -1.529285997e+00 -1.529285997e+00 3.64 -1.477876685e+00 -1.477876685e+00 3.66 -1.427389037e+00 -1.427389037e+00 3.68 -1.377871666e+00 -1.377871666e+00 3.70 -1.329617518e+00 -1.329617518e+00 3.72 -1.282350948e+00 -1.282350948e+00 3.74 -1.236111353e+00 -1.236111353e+00 3.76 -1.190931069e+00 -1.190931069e+00 3.78 -1.146836642e+00 -1.146836642e+00 3.80 -1.103849156e+00 -1.103849156e+00 3.82 -1.061984545e+00 -1.061984545e+00 3.84 -1.021281372e+00 -1.021281372e+00 3.86 -9.817145425e-01 -9.817145425e-01 3.88 -9.432837436e-01 -9.432837436e-01 3.90 -9.059887674e-01 -9.059887674e-01 3.92 -8.698254775e-01 -8.698254775e-01 3.94 -8.347825989e-01 -8.347825989e-01 3.96 -8.008532169e-01 -8.008532169e-01 3.98 -7.680789315e-01 -7.680789315e-01 4.00 -7.364903481e-01 -7.364903481e-01 4.02 -7.059421372e-01 -7.059421372e-01 4.04 -6.764163841e-01 -6.764163841e-01 4.06 -6.478933206e-01 -6.478933206e-01 4.08 -6.203516371e-01 -6.203516371e-01 4.10 -5.937687758e-01 -5.937687758e-01 4.12 -5.681212047e-01 -5.681212047e-01 4.14 -5.433846700e-01 -5.433846700e-01 4.16 -5.195344269e-01 -5.195344269e-01 4.18 -4.965454463e-01 -4.965454463e-01 4.20 -4.743926007e-01 -4.743926007e-01 4.22 -4.530508253e-01 -4.530508253e-01 4.24 -4.324952584e-01 -4.324952584e-01 4.26 -4.127291749e-01 -4.127291749e-01 4.28 -3.936994602e-01 -3.936994602e-01 4.30 -3.753794669e-01 -3.753794669e-01 4.32 -3.577459574e-01 -3.577459574e-01 4.34 -3.407775001e-01 -3.407775001e-01 4.36 -3.244527981e-01 -3.244527981e-01 4.38 -3.087510511e-01 -3.087510511e-01 4.40 -2.936521041e-01 -2.936521041e-01 4.42 -2.791364528e-01 -2.791364528e-01 4.44 -2.651852418e-01 -2.651852418e-01 4.46 -2.517802564e-01 -2.517802564e-01 4.48 -2.389039114e-01 -2.389039114e-01 4.50 -2.265864608e-01 -2.265864608e-01 4.52 -2.147715722e-01 -2.147715722e-01 4.54 -2.034249820e-01 -2.034249820e-01 4.56 -1.925332517e-01 -1.925332517e-01 4.58 -1.820832291e-01 -1.820832291e-01 4.60 -1.720620532e-01 -1.720620532e-01 4.62 -1.624571573e-01 -1.624571573e-01 4.64 -1.532562709e-01 -1.532562709e-01 4.66 -1.444471710e-01 -1.444471710e-01 4.68 -1.360164184e-01 -1.360164184e-01 4.70 -1.279549137e-01 -1.279549137e-01 4.72 -1.202515266e-01 -1.202515266e-01 4.74 -1.128954065e-01 -1.128954065e-01 4.76 -1.058759733e-01 -1.058759733e-01 4.78 -9.918290734e-02 -9.918290734e-02 4.80 -9.280613710e-02 -9.280613710e-02 4.82 -8.673582640e-02 -8.673582640e-02 4.84 -8.096236043e-02 -8.096236043e-02 4.86 -7.547633118e-02 -7.547633118e-02 4.88 -7.028292852e-02 -7.028292852e-02 4.90 -6.540955847e-02 -6.540955847e-02 4.92 -6.078623154e-02 -6.078623154e-02 4.94 -5.640549805e-02 -5.640549805e-02 4.96 -5.225946038e-02 -5.225946038e-02 4.98 -4.834105088e-02 -4.834105088e-02 5.00 -4.464293608e-02 -4.464293608e-02 5.02 -4.115764710e-02 -4.115764710e-02 5.04 -3.787771781e-02 -3.787771781e-02 5.06 -3.479568855e-02 -3.479568855e-02 5.08 -3.190411118e-02 -3.190411118e-02 5.10 -2.919555521e-02 -2.919555521e-02 5.12 -2.666261537e-02 -2.666261537e-02 5.14 -2.429792033e-02 -2.429792033e-02 5.16 -2.209414270e-02 -2.209414270e-02 5.18 -2.004401012e-02 -2.004401012e-02 5.20 -1.814031733e-02 -1.814031733e-02 5.22 -1.650181011e-02 -1.650181011e-02 5.24 -1.500926080e-02 -1.500926080e-02 5.26 -1.362056189e-02 -1.362056189e-02 5.28 -1.233154115e-02 -1.233154115e-02 5.30 -1.113789060e-02 -1.113789060e-02 5.32 -1.003520167e-02 -1.003520167e-02 5.34 -9.018999296e-03 -9.018999296e-03 5.36 -8.084774405e-03 -8.084774405e-03 5.38 -7.228014613e-03 -7.228014613e-03 5.40 -6.444232900e-03 -6.444232900e-03 5.42 -5.728994052e-03 -5.728994052e-03 5.44 -5.077938728e-03 -5.077938728e-03 5.46 -4.486805047e-03 -4.486805047e-03 5.48 -3.951447649e-03 -3.951447649e-03 5.50 -3.467854198e-03 -3.467854198e-03 5.52 -3.032159355e-03 -3.032159355e-03 5.54 -2.640656269e-03 -2.640656269e-03 5.56 -2.289805670e-03 -2.289805670e-03 5.58 -1.976242679e-03 -1.976242679e-03 5.60 -1.696781456e-03 -1.696781456e-03 5.62 -1.448417848e-03 -1.448417848e-03 5.64 -1.228330190e-03 -1.228330190e-03 5.66 -1.033878438e-03 -1.033878438e-03 5.68 -8.626018081e-04 -8.626018081e-04 5.70 -7.122151062e-04 -7.122151062e-04 5.72 -5.806039261e-04 -5.806039261e-04 5.74 -4.658188931e-04 -4.658188931e-04 5.76 -3.660691222e-04 -3.660691222e-04 5.78 -2.797150538e-04 -2.797150538e-04 5.80 -2.052608165e-04 -2.052608165e-04 5.82 -1.413462600e-04 -1.413462600e-04 5.84 -8.673878383e-05 -8.673878383e-05 5.86 -4.032507857e-05 -4.032507857e-05 5.88 -9.366728206e-06 -9.366728206e-06 5.90 -6.745887063e-06 -6.745887063e-06 5.92 -4.489815437e-06 -4.489815437e-06 5.94 -2.559435208e-06 -2.559435208e-06 5.96 -9.190989273e-07 -9.190989273e-07 5.98 4.636504256e-07 4.636504256e-07 6.00 1.618308194e-06 1.618308194e-06