# 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 = FK2Na # 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 5.115689467e+03 5.115689467e+03 1.24 4.341712713e+03 4.341712713e+03 1.26 3.696399696e+03 3.696399696e+03 1.28 3.156596504e+03 3.156596504e+03 1.30 2.704003890e+03 2.704003890e+03 1.32 2.323089637e+03 2.323089637e+03 1.34 2.001686220e+03 2.001686220e+03 1.36 1.729866412e+03 1.729866412e+03 1.38 1.499048608e+03 1.499048608e+03 1.40 1.302616816e+03 1.302616816e+03 1.42 1.135142629e+03 1.135142629e+03 1.44 9.919580885e+02 9.919580885e+02 1.46 8.690202195e+02 8.690202195e+02 1.48 7.633646433e+02 7.633646433e+02 1.50 6.723254006e+02 6.723254006e+02 1.52 5.936609219e+02 5.936609219e+02 1.54 5.255006152e+02 5.255006152e+02 1.56 4.663312513e+02 4.663312513e+02 1.58 4.148491704e+02 4.148491704e+02 1.60 3.699432117e+02 3.699432117e+02 1.62 3.306709913e+02 3.306709913e+02 1.64 2.961500982e+02 2.961500982e+02 1.66 2.658146680e+02 2.658146680e+02 1.68 2.391189222e+02 2.391189222e+02 1.70 2.155704638e+02 2.155704638e+02 1.72 1.947478649e+02 1.947478649e+02 1.74 1.762922925e+02 1.762922925e+02 1.76 1.598635334e+02 1.598635334e+02 1.78 1.452233779e+02 1.452233779e+02 1.80 1.321598593e+02 1.321598593e+02 1.82 1.204704002e+02 1.204704002e+02 1.84 1.099981378e+02 1.099981378e+02 1.86 1.005940325e+02 1.005940325e+02 1.88 9.213237007e+01 9.213237007e+01 1.90 8.450218322e+01 8.450218322e+01 1.92 7.759637190e+01 7.759637190e+01 1.94 7.134426737e+01 7.134426737e+01 1.96 6.567381230e+01 6.567381230e+01 1.98 6.052107795e+01 6.052107795e+01 2.00 5.582931621e+01 5.582931621e+01 2.02 5.155034226e+01 5.155034226e+01 2.04 4.763944834e+01 4.763944834e+01 2.06 4.406073212e+01 4.406073212e+01 2.08 4.078107375e+01 4.078107375e+01 2.10 3.777065248e+01 3.777065248e+01 2.12 3.499581891e+01 3.499581891e+01 2.14 3.243761467e+01 3.243761467e+01 2.16 3.008088866e+01 3.008088866e+01 2.18 2.790655059e+01 2.790655059e+01 2.20 2.589788039e+01 2.589788039e+01 2.22 2.403978713e+01 2.403978713e+01 2.24 2.231856992e+01 2.231856992e+01 2.26 2.072219306e+01 2.072219306e+01 2.28 1.923998746e+01 1.923998746e+01 2.30 1.786277492e+01 1.786277492e+01 2.32 1.658205295e+01 1.658205295e+01 2.34 1.539010614e+01 1.539010614e+01 2.36 1.427996587e+01 1.427996587e+01 2.38 1.324536772e+01 1.324536772e+01 2.40 1.228067050e+01 1.228067050e+01 2.42 1.137624165e+01 1.137624165e+01 2.44 1.053144392e+01 1.053144392e+01 2.46 9.743876563e+00 9.743876563e+00 2.48 9.009478091e+00 9.009478091e+00 2.50 8.324428599e+00 8.324428599e+00 2.52 7.685308441e+00 7.685308441e+00 2.54 7.089301985e+00 7.089301985e+00 2.56 6.533547665e+00 6.533547665e+00 2.58 6.015393306e+00 6.015393306e+00 2.60 5.532385863e+00 5.532385863e+00 2.62 5.082173416e+00 5.082173416e+00 2.64 4.662738594e+00 4.662738594e+00 2.66 4.272104193e+00 4.272104193e+00 2.68 3.908413868e+00 3.908413868e+00 2.70 3.569654104e+00 3.569654104e+00 2.72 3.254474012e+00 3.254474012e+00 2.74 2.961235598e+00 2.961235598e+00 2.76 2.688521588e+00 2.688521588e+00 2.78 2.435161142e+00 2.435161142e+00 2.80 2.199835141e+00 2.199835141e+00 2.82 1.981274016e+00 1.981274016e+00 2.84 1.778364250e+00 1.778364250e+00 2.86 1.590019608e+00 1.590019608e+00 2.88 1.414498280e+00 1.414498280e+00 2.90 1.251660304e+00 1.251660304e+00 2.92 1.100661780e+00 1.100661780e+00 2.94 9.606570867e-01 9.606570867e-01 2.96 8.308604268e-01 8.308604268e-01 2.98 7.105427031e-01 7.105427031e-01 3.00 5.990284602e-01 5.990284602e-01 3.02 4.956928613e-01 4.956928613e-01 3.04 3.999592827e-01 3.999592827e-01 3.06 3.112712398e-01 3.112712398e-01 3.08 2.291205862e-01 2.291205862e-01 3.10 1.531131497e-01 1.531131497e-01 3.12 8.281989522e-02 8.281989522e-02 3.14 1.779631789e-02 1.779631789e-02 3.16 -4.223550800e-02 -4.223550800e-02 3.18 -9.767085387e-02 -9.767085387e-02 3.20 -1.487416386e-01 -1.487416386e-01 3.22 -1.957295181e-01 -1.957295181e-01 3.24 -2.388999438e-01 -2.388999438e-01 3.26 -2.785003583e-01 -2.785003583e-01 3.28 -3.147618066e-01 -3.147618066e-01 3.30 -3.479010107e-01 -3.479010107e-01 3.32 -3.781219747e-01 -3.781219747e-01 3.34 -4.056173700e-01 -4.056173700e-01 3.36 -4.305697056e-01 -4.305697056e-01 3.38 -4.531522964e-01 -4.531522964e-01 3.40 -4.735300440e-01 -4.735300440e-01 3.42 -4.918598432e-01 -4.918598432e-01 3.44 -5.082915663e-01 -5.082915663e-01 3.46 -5.229680842e-01 -5.229680842e-01 3.48 -5.360253244e-01 -5.360253244e-01 3.50 -5.475925476e-01 -5.475925476e-01 3.52 -5.577924111e-01 -5.577924111e-01 3.54 -5.669759286e-01 -5.669759286e-01 3.56 -5.750883082e-01 -5.750883082e-01 3.58 -5.820881090e-01 -5.820881090e-01 3.60 -5.880853815e-01 -5.880853815e-01 3.62 -5.931812720e-01 -5.931812720e-01 3.64 -5.974683304e-01 -5.974683304e-01 3.66 -6.010308263e-01 -6.010308263e-01 3.68 -6.039467507e-01 -6.039467507e-01 3.70 -6.064103566e-01 -6.064103566e-01 3.72 -6.083289065e-01 -6.083289065e-01 3.74 -6.097616482e-01 -6.097616482e-01 3.76 -6.107604566e-01 -6.107604566e-01 3.78 -6.114797155e-01 -6.114797155e-01 3.80 -6.118354178e-01 -6.118354178e-01 3.82 -6.118594620e-01 -6.118594620e-01 3.84 -6.115818918e-01 -6.115818918e-01 3.86 -6.110278314e-01 -6.110278314e-01 3.88 -6.102179766e-01 -6.102179766e-01 3.90 -6.091949767e-01 -6.091949767e-01 3.92 -6.080846020e-01 -6.080846020e-01 3.94 -6.067348186e-01 -6.067348186e-01 3.96 -6.051671602e-01 -6.051671602e-01 3.98 -6.034248111e-01 -6.034248111e-01 4.00 -6.014552259e-01 -6.014552259e-01 4.02 -5.992641983e-01 -5.992641983e-01 4.04 -5.968561910e-01 -5.968561910e-01 4.06 -5.942339270e-01 -5.942339270e-01 4.08 -5.913990643e-01 -5.913990643e-01 4.10 -5.883524555e-01 -5.883524555e-01 4.12 -5.850943781e-01 -5.850943781e-01 4.14 -5.816247349e-01 -5.816247349e-01 4.16 -5.779432275e-01 -5.779432275e-01 4.18 -5.740495042e-01 -5.740495042e-01 4.20 -5.699432850e-01 -5.699432850e-01 4.22 -5.656244646e-01 -5.656244646e-01 4.24 -5.610931975e-01 -5.610931975e-01 4.26 -5.563499652e-01 -5.563499652e-01 4.28 -5.513956289e-01 -5.513956289e-01 4.30 -5.462314698e-01 -5.462314698e-01 4.32 -5.408723575e-01 -5.408723575e-01 4.34 -5.354047867e-01 -5.354047867e-01 4.36 -5.297119743e-01 -5.297119743e-01 4.38 -5.238005546e-01 -5.238005546e-01 4.40 -5.176771845e-01 -5.176771845e-01 4.42 -5.113485859e-01 -5.113485859e-01 4.44 -5.048215834e-01 -5.048215834e-01 4.46 -4.981031379e-01 -4.981031379e-01 4.48 -4.912003724e-01 -4.912003724e-01 4.50 -4.841205952e-01 -4.841205952e-01 4.52 -4.768713157e-01 -4.768713157e-01 4.54 -4.694602575e-01 -4.694602575e-01 4.56 -4.618953532e-01 -4.618953532e-01 4.58 -4.541847906e-01 -4.541847906e-01 4.60 -4.463369672e-01 -4.463369672e-01 4.62 -4.384313161e-01 -4.384313161e-01 4.64 -4.305486932e-01 -4.305486932e-01 4.66 -4.225239311e-01 -4.225239311e-01 4.68 -4.143699577e-01 -4.143699577e-01 4.70 -4.060995090e-01 -4.060995090e-01 4.72 -3.977251418e-01 -3.977251418e-01 4.74 -3.892592421e-01 -3.892592421e-01 4.76 -3.807140307e-01 -3.807140307e-01 4.78 -3.721015650e-01 -3.721015650e-01 4.80 -3.634337387e-01 -3.634337387e-01 4.82 -3.547222739e-01 -3.547222739e-01 4.84 -3.459786096e-01 -3.459786096e-01 4.86 -3.372142492e-01 -3.372142492e-01 4.88 -3.284403669e-01 -3.284403669e-01 4.90 -3.196679314e-01 -3.196679314e-01 4.92 -3.109076931e-01 -3.109076931e-01 4.94 -3.021701688e-01 -3.021701688e-01 4.96 -2.934656264e-01 -2.934656264e-01 4.98 -2.848041195e-01 -2.848041195e-01 5.00 -2.761953128e-01 -2.761953128e-01 5.02 -2.676486215e-01 -2.676486215e-01 5.04 -2.591731572e-01 -2.591731572e-01 5.06 -2.507777014e-01 -2.507777014e-01 5.08 -2.424706903e-01 -2.424706903e-01 5.10 -2.342602007e-01 -2.342602007e-01 5.12 -2.261539368e-01 -2.261539368e-01 5.14 -2.181592185e-01 -2.181592185e-01 5.16 -2.102829704e-01 -2.102829704e-01 5.18 -2.025317129e-01 -2.025317129e-01 5.20 -1.949115543e-01 -1.949115543e-01 5.22 -1.874281845e-01 -1.874281845e-01 5.24 -1.800868707e-01 -1.800868707e-01 5.26 -1.728924540e-01 -1.728924540e-01 5.28 -1.658493481e-01 -1.658493481e-01 5.30 -1.589615394e-01 -1.589615394e-01 5.32 -1.522325887e-01 -1.522325887e-01 5.34 -1.456656341e-01 -1.456656341e-01 5.36 -1.392633957e-01 -1.392633957e-01 5.38 -1.330281814e-01 -1.330281814e-01 5.40 -1.269618949e-01 -1.269618949e-01 5.42 -1.210659055e-01 -1.210659055e-01 5.44 -1.153414820e-01 -1.153414820e-01 5.46 -1.097893684e-01 -1.097893684e-01 5.48 -1.044099398e-01 -1.044099398e-01 5.50 -9.920321783e-02 -9.920321783e-02 5.52 -9.416888327e-02 -9.416888327e-02 5.54 -8.930628978e-02 -8.930628978e-02 5.56 -8.461447777e-02 -8.461447777e-02 5.58 -8.009218883e-02 -8.009218883e-02 5.60 -7.573788061e-02 -7.573788061e-02 5.62 -7.154974195e-02 -7.154974195e-02 5.64 -6.752570819e-02 -6.752570819e-02 5.66 -6.366347674e-02 -6.366347674e-02 5.68 -5.996052273e-02 -5.996052273e-02 5.70 -5.641411462e-02 -5.641411462e-02 5.72 -5.302132994e-02 -5.302132994e-02 5.74 -4.977907087e-02 -4.977907087e-02 5.76 -4.668407980e-02 -4.668407980e-02 5.78 -4.373295466e-02 -4.373295466e-02 5.80 -4.092216415e-02 -4.092216415e-02 5.82 -3.824806268e-02 -3.824806268e-02 5.84 -3.570690513e-02 -3.570690513e-02 5.86 -3.329486123e-02 -3.329486123e-02 5.88 -3.100802970e-02 -3.100802970e-02 5.90 -2.884245194e-02 -2.884245194e-02 5.92 -2.679412546e-02 -2.679412546e-02 5.94 -2.485901677e-02 -2.485901677e-02 5.96 -2.303307390e-02 -2.303307390e-02 5.98 -2.131223846e-02 -2.131223846e-02 6.00 -1.969245715e-02 -1.969245715e-02