# 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 = FLiNa2 # 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 1.864698500e+03 1.864698500e+03 1.18 1.545098539e+03 1.545098539e+03 1.20 1.285626178e+03 1.285626178e+03 1.22 1.074160515e+03 1.074160515e+03 1.24 9.011451190e+02 9.011451190e+02 1.26 7.589975956e+02 7.589975956e+02 1.28 6.417917432e+02 6.417917432e+02 1.30 5.447932022e+02 5.447932022e+02 1.32 4.641882635e+02 4.641882635e+02 1.34 3.969784429e+02 3.969784429e+02 1.36 3.407730547e+02 3.407730547e+02 1.38 2.936045004e+02 2.936045004e+02 1.40 2.538762501e+02 2.538762501e+02 1.42 2.202691487e+02 2.202691487e+02 1.44 1.917490860e+02 1.917490860e+02 1.46 1.674948094e+02 1.674948094e+02 1.48 1.467984524e+02 1.467984524e+02 1.50 1.290769215e+02 1.290769215e+02 1.52 1.138405208e+02 1.138405208e+02 1.54 1.006967208e+02 1.006967208e+02 1.56 8.933190652e+01 8.933190652e+01 1.58 7.946357580e+01 7.946357580e+01 1.60 7.086905214e+01 7.086905214e+01 1.62 6.336649792e+01 6.336649792e+01 1.64 5.679662989e+01 5.679662989e+01 1.66 5.102148612e+01 5.102148612e+01 1.68 4.593029064e+01 4.593029064e+01 1.70 4.142845420e+01 4.142845420e+01 1.72 3.743862657e+01 3.743862657e+01 1.74 3.389231514e+01 3.389231514e+01 1.76 3.073045830e+01 3.073045830e+01 1.78 2.790340938e+01 2.790340938e+01 1.80 2.536790877e+01 2.536790877e+01 1.82 2.308819419e+01 2.308819419e+01 1.84 2.102969503e+01 2.102969503e+01 1.86 1.916827266e+01 1.916827266e+01 1.88 1.748241208e+01 1.748241208e+01 1.90 1.595215596e+01 1.595215596e+01 1.92 1.455948553e+01 1.455948553e+01 1.94 1.328919710e+01 1.328919710e+01 1.96 1.212828957e+01 1.212828957e+01 1.98 1.106499462e+01 1.106499462e+01 2.00 1.008901577e+01 1.008901577e+01 2.02 9.191782792e+00 9.191782792e+00 2.04 8.365578547e+00 8.365578547e+00 2.06 7.603620327e+00 7.603620327e+00 2.08 6.899849161e+00 6.899849161e+00 2.10 6.247491226e+00 6.247491226e+00 2.12 5.642684551e+00 5.642684551e+00 2.14 5.082286940e+00 5.082286940e+00 2.16 4.563135153e+00 4.563135153e+00 2.18 4.082368195e+00 4.082368195e+00 2.20 3.636959550e+00 3.636959550e+00 2.22 3.224236446e+00 3.224236446e+00 2.24 2.841817543e+00 2.841817543e+00 2.26 2.487518274e+00 2.487518274e+00 2.28 2.159414097e+00 2.159414097e+00 2.30 1.855393049e+00 1.855393049e+00 2.32 1.574367147e+00 1.574367147e+00 2.34 1.314922733e+00 1.314922733e+00 2.36 1.075098817e+00 1.075098817e+00 2.38 8.537884100e-01 8.537884100e-01 2.40 6.503707350e-01 6.503707350e-01 2.42 4.636685831e-01 4.636685831e-01 2.44 2.925742173e-01 2.925742173e-01 2.46 1.360341208e-01 1.360341208e-01 2.48 -6.975164690e-03 -6.975164690e-03 2.50 -1.379654627e-01 -1.379654627e-01 2.52 -2.574674587e-01 -2.574674587e-01 2.54 -3.658292451e-01 -3.658292451e-01 2.56 -4.638496893e-01 -4.638496893e-01 2.58 -5.523204443e-01 -5.523204443e-01 2.60 -6.319789238e-01 -6.319789238e-01 2.62 -7.035936100e-01 -7.035936100e-01 2.64 -7.677616171e-01 -7.677616171e-01 2.66 -8.249944177e-01 -8.249944177e-01 2.68 -8.758474183e-01 -8.758474183e-01 2.70 -9.208320833e-01 -9.208320833e-01 2.72 -9.604469808e-01 -9.604469808e-01 2.74 -9.951669117e-01 -9.951669117e-01 2.76 -1.025319861e+00 -1.025319861e+00 2.78 -1.051253289e+00 -1.051253289e+00 2.80 -1.073315138e+00 -1.073315138e+00 2.82 -1.091874926e+00 -1.091874926e+00 2.84 -1.107131393e+00 -1.107131393e+00 2.86 -1.119355460e+00 -1.119355460e+00 2.88 -1.128795521e+00 -1.128795521e+00 2.90 -1.135682523e+00 -1.135682523e+00 2.92 -1.140238600e+00 -1.140238600e+00 2.94 -1.142666379e+00 -1.142666379e+00 2.96 -1.143156166e+00 -1.143156166e+00 2.98 -1.141887261e+00 -1.141887261e+00 3.00 -1.139038469e+00 -1.139038469e+00 3.02 -1.134774074e+00 -1.134774074e+00 3.04 -1.129227452e+00 -1.129227452e+00 3.06 -1.122542284e+00 -1.122542284e+00 3.08 -1.114855262e+00 -1.114855262e+00 3.10 -1.106294984e+00 -1.106294984e+00 3.12 -1.096981757e+00 -1.096981757e+00 3.14 -1.087027895e+00 -1.087027895e+00 3.16 -1.076537642e+00 -1.076537642e+00 3.18 -1.065607083e+00 -1.065607083e+00 3.20 -1.054324083e+00 -1.054324083e+00 3.22 -1.042768007e+00 -1.042768007e+00 3.24 -1.031058922e+00 -1.031058922e+00 3.26 -1.019260627e+00 -1.019260627e+00 3.28 -1.007664687e+00 -1.007664687e+00 3.30 -9.960560205e-01 -9.960560205e-01 3.32 -9.843584179e-01 -9.843584179e-01 3.34 -9.726225633e-01 -9.726225633e-01 3.36 -9.608899428e-01 -9.608899428e-01 3.38 -9.491936917e-01 -9.491936917e-01 3.40 -9.375594463e-01 -9.375594463e-01 3.42 -9.260061863e-01 -9.260061863e-01 3.44 -9.145470551e-01 -9.145470551e-01 3.46 -9.031901478e-01 -9.031901478e-01 3.48 -8.919392580e-01 -8.919392580e-01 3.50 -8.807945759e-01 -8.807945759e-01 3.52 -8.697533330e-01 -8.697533330e-01 3.54 -8.588103886e-01 -8.588103886e-01 3.56 -8.479587589e-01 -8.479587589e-01 3.58 -8.371900850e-01 -8.371900850e-01 3.60 -8.264950440e-01 -8.264950440e-01 3.62 -8.158637036e-01 -8.158637036e-01 3.64 -8.052858241e-01 -8.052858241e-01 3.66 -7.947511107e-01 -7.947511107e-01 3.68 -7.842516886e-01 -7.842516886e-01 3.70 -7.739015163e-01 -7.739015163e-01 3.72 -7.636191311e-01 -7.636191311e-01 3.74 -7.533232731e-01 -7.533232731e-01 3.76 -7.429888741e-01 -7.429888741e-01 3.78 -7.326144444e-01 -7.326144444e-01 3.80 -7.221979797e-01 -7.221979797e-01 3.82 -7.117382289e-01 -7.117382289e-01 3.84 -7.012335683e-01 -7.012335683e-01 3.86 -6.906825147e-01 -6.906825147e-01 3.88 -6.800838071e-01 -6.800838071e-01 3.90 -6.694431772e-01 -6.694431772e-01 3.92 -6.587891713e-01 -6.587891713e-01 3.94 -6.480793670e-01 -6.480793670e-01 3.96 -6.373372445e-01 -6.373372445e-01 3.98 -6.266342480e-01 -6.266342480e-01 4.00 -6.158559533e-01 -6.158559533e-01 4.02 -6.050079351e-01 -6.050079351e-01 4.04 -5.940956771e-01 -5.940956771e-01 4.06 -5.831246313e-01 -5.831246313e-01 4.08 -5.721002697e-01 -5.721002697e-01 4.10 -5.610281299e-01 -5.610281299e-01 4.12 -5.499138527e-01 -5.499138527e-01 4.14 -5.387632137e-01 -5.387632137e-01 4.16 -5.275821482e-01 -5.275821482e-01 4.18 -5.163767698e-01 -5.163767698e-01 4.20 -5.051533832e-01 -5.051533832e-01 4.22 -4.939184913e-01 -4.939184913e-01 4.24 -4.826787972e-01 -4.826787972e-01 4.26 -4.714412014e-01 -4.714412014e-01 4.28 -4.602127942e-01 -4.602127942e-01 4.30 -4.490008443e-01 -4.490008443e-01 4.32 -4.378126813e-01 -4.378126813e-01 4.34 -4.266559862e-01 -4.266559862e-01 4.36 -4.155384807e-01 -4.155384807e-01 4.38 -4.044679645e-01 -4.044679645e-01 4.40 -3.934523126e-01 -3.934523126e-01 4.42 -3.824994491e-01 -3.824994491e-01 4.44 -3.716173188e-01 -3.716173188e-01 4.46 -3.608138587e-01 -3.608138587e-01 4.48 -3.500969682e-01 -3.500969682e-01 4.50 -3.394747035e-01 -3.394747035e-01 4.52 -3.291501426e-01 -3.291501426e-01 4.54 -3.189109297e-01 -3.189109297e-01 4.56 -3.087666795e-01 -3.087666795e-01 4.58 -2.987271027e-01 -2.987271027e-01 4.60 -2.888013580e-01 -2.888013580e-01 4.62 -2.789981875e-01 -2.789981875e-01 4.64 -2.693259083e-01 -2.693259083e-01 4.66 -2.597924044e-01 -2.597924044e-01 4.68 -2.504051200e-01 -2.504051200e-01 4.70 -2.411710528e-01 -2.411710528e-01 4.72 -2.320964269e-01 -2.320964269e-01 4.74 -2.231876596e-01 -2.231876596e-01 4.76 -2.144504316e-01 -2.144504316e-01 4.78 -2.058899157e-01 -2.058899157e-01 4.80 -1.975108270e-01 -1.975108270e-01 4.82 -1.893174241e-01 -1.893174241e-01 4.84 -1.813135115e-01 -1.813135115e-01 4.86 -1.735024438e-01 -1.735024438e-01 4.88 -1.658871298e-01 -1.658871298e-01 4.90 -1.584700385e-01 -1.584700385e-01 4.92 -1.512532061e-01 -1.512532061e-01 4.94 -1.442382435e-01 -1.442382435e-01 4.96 -1.374263449e-01 -1.374263449e-01 4.98 -1.308182977e-01 -1.308182977e-01 5.00 -1.244144920e-01 -1.244144920e-01 5.02 -1.182149324e-01 -1.182149324e-01 5.04 -1.122192494e-01 -1.122192494e-01 5.06 -1.064267116e-01 -1.064267116e-01 5.08 -1.008362390e-01 -1.008362390e-01 5.10 -9.544641626e-02 -9.544641626e-02 5.12 -9.025550700e-02 -9.025550700e-02 5.14 -8.526146813e-02 -8.526146813e-02 5.16 -8.046196486e-02 -8.046196486e-02 5.18 -7.585438605e-02 -7.585438605e-02 5.20 -7.143585987e-02 -7.143585987e-02 5.22 -6.720326976e-02 -6.720326976e-02 5.24 -6.315327064e-02 -6.315327064e-02 5.26 -5.928230539e-02 -5.928230539e-02 5.28 -5.558662136e-02 -5.558662136e-02 5.30 -5.206228710e-02 -5.206228710e-02 5.32 -4.870520910e-02 -4.870520910e-02 5.34 -4.551114853e-02 -4.551114853e-02 5.36 -4.247573796e-02 -4.247573796e-02 5.38 -3.959449798e-02 -3.959449798e-02 5.40 -3.686285362e-02 -3.686285362e-02 5.42 -3.427615059e-02 -3.427615059e-02 5.44 -3.182967128e-02 -3.182967128e-02 5.46 -2.951865036e-02 -2.951865036e-02 5.48 -2.733829010e-02 -2.733829010e-02 5.50 -2.528377518e-02 -2.528377518e-02 5.52 -2.335028708e-02 -2.335028708e-02 5.54 -2.153301784e-02 -2.153301784e-02 5.56 -1.982718341e-02 -1.982718341e-02 5.58 -1.822803621e-02 -1.822803621e-02 5.60 -1.674154743e-02 -1.674154743e-02 5.62 -1.538395982e-02 -1.538395982e-02 5.64 -1.411308562e-02 -1.411308562e-02 5.66 -1.292511968e-02 -1.292511968e-02 5.68 -1.181628104e-02 -1.181628104e-02 5.70 -1.078282589e-02 -1.078282589e-02 5.72 -9.821059640e-03 -9.821059640e-03 5.74 -8.927349370e-03 -8.927349370e-03 5.76 -8.098130730e-03 -8.098130730e-03 5.78 -7.329917434e-03 -7.329917434e-03 5.80 -6.619312558e-03 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