# 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 = F2IdLi # 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 1.134573472e+06 1.134573472e+06 1.22 nan nan 1.24 nan 6.403792390e+05 1.26 4.843234138e+05 4.843234138e+05 1.28 3.678549939e+05 3.678549939e+05 1.30 2.805424305e+05 2.805424305e+05 1.32 2.148035228e+05 2.148035228e+05 1.34 1.651001870e+05 1.651001870e+05 1.36 1.273687581e+05 1.273687581e+05 1.38 9.861319204e+04 9.861319204e+04 1.40 7.661502915e+04 7.661502915e+04 1.42 5.972439817e+04 5.972439817e+04 1.44 4.670917828e+04 4.670917828e+04 1.46 3.664558494e+04 3.664558494e+04 1.48 2.883823614e+04 2.883823614e+04 1.50 2.276164911e+04 2.276164911e+04 1.52 1.801727523e+04 1.801727523e+04 1.54 1.430175841e+04 1.430175841e+04 1.56 1.138335189e+04 1.138335189e+04 1.58 9.084502604e+03 9.084502604e+03 1.60 7.268634402e+03 7.268634402e+03 1.62 5.830406195e+03 5.830406195e+03 1.64 4.688305594e+03 4.688305594e+03 1.66 3.779065805e+03 3.779065805e+03 1.68 3.053420874e+03 3.053420874e+03 1.70 2.472910864e+03 2.472910864e+03 1.72 2.007420469e+03 2.007420469e+03 1.74 1.633296058e+03 1.633296058e+03 1.76 1.331954041e+03 1.331954041e+03 1.78 1.088710247e+03 1.088710247e+03 1.80 8.919489337e+02 8.919489337e+02 1.82 7.324516383e+02 7.324516383e+02 1.84 6.028982613e+02 6.028982613e+02 1.86 4.974593410e+02 4.974593410e+02 1.88 4.114804936e+02 4.114804936e+02 1.90 3.412337489e+02 3.412337489e+02 1.92 2.837292984e+02 2.837292984e+02 1.94 2.365650583e+02 2.365650583e+02 1.96 1.978063116e+02 1.978063116e+02 1.98 1.658896398e+02 1.658896398e+02 2.00 1.395593443e+02 1.395593443e+02 2.02 1.177950294e+02 1.177950294e+02 2.04 9.976888463e+01 9.976888463e+01 2.06 8.480820062e+01 8.480820062e+01 2.08 7.236536011e+01 7.236536011e+01 2.10 6.199389381e+01 6.199389381e+01 2.12 5.332919669e+01 5.332919669e+01 2.14 4.607166958e+01 4.607166958e+01 2.16 3.997609432e+01 3.997609432e+01 2.18 3.484279525e+01 3.484279525e+01 2.20 3.050936658e+01 3.050936658e+01 2.22 2.684011342e+01 2.684011342e+01 2.24 2.372203019e+01 2.372203019e+01 2.26 2.106363690e+01 2.106363690e+01 2.28 1.878885643e+01 1.878885643e+01 2.30 1.683450636e+01 1.683450636e+01 2.32 1.514830973e+01 1.514830973e+01 2.34 1.368649358e+01 1.368649358e+01 2.36 1.241353883e+01 1.241353883e+01 2.38 1.129857131e+01 1.129857131e+01 2.40 1.031896280e+01 1.031896280e+01 2.42 9.454247126e+00 9.454247126e+00 2.44 8.687394758e+00 8.687394758e+00 2.46 8.004248068e+00 8.004248068e+00 2.48 7.392876192e+00 7.392876192e+00 2.50 6.843504662e+00 6.843504662e+00 2.52 6.348063947e+00 6.348063947e+00 2.54 5.899612581e+00 5.899612581e+00 2.56 5.492316498e+00 5.492316498e+00 2.58 5.121251252e+00 5.121251252e+00 2.60 4.782025477e+00 4.782025477e+00 2.62 4.471026197e+00 4.471026197e+00 2.64 4.185506199e+00 4.185506199e+00 2.66 3.922496645e+00 3.922496645e+00 2.68 3.679907252e+00 3.679907252e+00 2.70 3.456051850e+00 3.456051850e+00 2.72 3.249093812e+00 3.249093812e+00 2.74 3.057414626e+00 3.057414626e+00 2.76 2.879576016e+00 2.879576016e+00 2.78 2.714292319e+00 2.714292319e+00 2.80 2.560405895e+00 2.560405895e+00 2.82 2.416867739e+00 2.416867739e+00 2.84 2.282614818e+00 2.282614818e+00 2.86 2.156540970e+00 2.156540970e+00 2.88 2.038238061e+00 2.038238061e+00 2.90 1.926981584e+00 1.926981584e+00 2.92 1.822090589e+00 1.822090589e+00 2.94 1.722933556e+00 1.722933556e+00 2.96 1.628933554e+00 1.628933554e+00 2.98 1.539566062e+00 1.539566062e+00 3.00 1.454357251e+00 1.454357251e+00 3.02 1.372719648e+00 1.372719648e+00 3.04 1.294438786e+00 1.294438786e+00 3.06 1.219227187e+00 1.219227187e+00 3.08 1.146790630e+00 1.146790630e+00 3.10 1.076874556e+00 1.076874556e+00 3.12 1.009267691e+00 1.009267691e+00 3.14 9.437966219e-01 9.437966219e-01 3.16 8.803224904e-01 8.803224904e-01 3.18 8.185609362e-01 8.185609362e-01 3.20 7.585208597e-01 7.585208597e-01 3.22 7.002811050e-01 7.002811050e-01 3.24 6.438041100e-01 6.438041100e-01 3.26 5.890613077e-01 5.890613077e-01 3.28 5.360384461e-01 5.360384461e-01 3.30 4.847321745e-01 4.847321745e-01 3.32 4.351469150e-01 4.351469150e-01 3.34 3.872920512e-01 3.872920512e-01 3.36 3.411794547e-01 3.411794547e-01 3.38 2.968213544e-01 2.968213544e-01 3.40 2.542285439e-01 2.542285439e-01 3.42 2.134089159e-01 2.134089159e-01 3.44 1.743663025e-01 1.743663025e-01 3.46 1.370995992e-01 1.370995992e-01 3.48 1.016021111e-01 1.016021111e-01 3.50 6.735218774e-02 6.735218774e-02 3.52 3.492317640e-02 3.492317640e-02 3.54 4.317717719e-03 4.317717719e-03 3.56 -2.451784784e-02 -2.451784784e-02 3.58 -5.163877661e-02 -5.163877661e-02 3.60 -7.710224917e-02 -7.710224917e-02 3.62 -1.009674041e-01 -1.009674041e-01 3.64 -1.232952535e-01 -1.232952535e-01 3.66 -1.441484933e-01 -1.441484933e-01 3.68 -1.635955873e-01 -1.635955873e-01 3.70 -1.819497354e-01 -1.819497354e-01 3.72 -1.990519776e-01 -1.990519776e-01 3.74 -2.148998955e-01 -2.148998955e-01 3.76 -2.295459766e-01 -2.295459766e-01 3.78 -2.430644056e-01 -2.430644056e-01 3.80 -2.555267137e-01 -2.555267137e-01 3.82 -2.670014869e-01 -2.670014869e-01 3.84 -2.775541027e-01 -2.775541027e-01 3.86 -2.872465060e-01 -2.872465060e-01 3.88 -2.961370295e-01 -2.961370295e-01 3.90 -3.042802674e-01 -3.042802674e-01 3.92 -3.117270037e-01 -3.117270037e-01 3.94 -3.185241982e-01 -3.185241982e-01 3.96 -3.247148127e-01 -3.247148127e-01 3.98 -3.303384576e-01 -3.303384576e-01 4.00 -3.354312563e-01 -3.354312563e-01 4.02 -3.400258153e-01 -3.400258153e-01 4.04 -3.441516272e-01 -3.441516272e-01 4.06 -3.478353282e-01 -3.478353282e-01 4.08 -3.511009764e-01 -3.511009764e-01 4.10 -3.539738401e-01 -3.539738401e-01 4.12 -3.564718285e-01 -3.564718285e-01 4.14 -3.586103135e-01 -3.586103135e-01 4.16 -3.604060828e-01 -3.604060828e-01 4.18 -3.618747289e-01 -3.618747289e-01 4.20 -3.630308819e-01 -3.630308819e-01 4.22 -3.638884147e-01 -3.638884147e-01 4.24 -3.644606177e-01 -3.644606177e-01 4.26 -3.647603396e-01 -3.647603396e-01 4.28 -3.648000971e-01 -3.648000971e-01 4.30 -3.645921517e-01 -3.645921517e-01 4.32 -3.641485491e-01 -3.641485491e-01 4.34 -3.634808979e-01 -3.634808979e-01 4.36 -3.626010977e-01 -3.626010977e-01 4.38 -3.615207145e-01 -3.615207145e-01 4.40 -3.602509466e-01 -3.602509466e-01 4.42 -3.588026870e-01 -3.588026870e-01 4.44 -3.571864646e-01 -3.571864646e-01 4.46 -3.554123795e-01 -3.554123795e-01 4.48 -3.534900387e-01 -3.534900387e-01 4.50 -3.515153587e-01 -3.515153587e-01 4.52 -3.494722892e-01 -3.494722892e-01 4.54 -3.472794166e-01 -3.472794166e-01 4.56 -3.449532017e-01 -3.449532017e-01 4.58 -3.424960163e-01 -3.424960163e-01 4.60 -3.399169580e-01 -3.399169580e-01 4.62 -3.372238542e-01 -3.372238542e-01 4.64 -3.344233300e-01 -3.344233300e-01 4.66 -3.315208837e-01 -3.315208837e-01 4.68 -3.285209666e-01 -3.285209666e-01 4.70 -3.254270683e-01 -3.254270683e-01 4.72 -3.222418048e-01 -3.222418048e-01 4.74 -3.189670096e-01 -3.189670096e-01 4.76 -3.156038271e-01 -3.156038271e-01 4.78 -3.121528059e-01 -3.121528059e-01 4.80 -3.086139939e-01 -3.086139939e-01 4.82 -3.049870309e-01 -3.049870309e-01 4.84 -3.012712414e-01 -3.012712414e-01 4.86 -2.974657241e-01 -2.974657241e-01 4.88 -2.935694394e-01 -2.935694394e-01 4.90 -2.895812930e-01 -2.895812930e-01 4.92 -2.855002156e-01 -2.855002156e-01 4.94 -2.813252389e-01 -2.813252389e-01 4.96 -2.770555449e-01 -2.770555449e-01 4.98 -2.726905081e-01 -2.726905081e-01 5.00 -2.682299669e-01 -2.682299669e-01 5.02 -2.636740050e-01 -2.636740050e-01 5.04 -2.590231045e-01 -2.590231045e-01 5.06 -2.542781875e-01 -2.542781875e-01 5.08 -2.494406519e-01 -2.494406519e-01 5.10 -2.445123999e-01 -2.445123999e-01 5.12 -2.394958610e-01 -2.394958610e-01 5.14 -2.343940078e-01 -2.343940078e-01 5.16 -2.292103660e-01 -2.292103660e-01 5.18 -2.239490176e-01 -2.239490176e-01 5.20 -2.186145981e-01 -2.186145981e-01 5.22 -2.132891598e-01 -2.132891598e-01 5.24 -2.079074753e-01 -2.079074753e-01 5.26 -2.024570675e-01 -2.024570675e-01 5.28 -1.969462127e-01 -1.969462127e-01 5.30 -1.913834802e-01 -1.913834802e-01 5.32 -1.857777078e-01 -1.857777078e-01 5.34 -1.801379736e-01 -1.801379736e-01 5.36 -1.744735630e-01 -1.744735630e-01 5.38 -1.687939320e-01 -1.687939320e-01 5.40 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