# 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 = FK2Li # 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 2024-11-27 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 5.058268546e+03 5.058268546e+03 1.24 4.286836831e+03 4.286836831e+03 1.26 3.644508414e+03 3.644508414e+03 1.28 3.107794846e+03 3.107794846e+03 1.30 2.658275378e+03 2.658275378e+03 1.32 2.280352522e+03 2.280352522e+03 1.34 1.961851167e+03 1.961851167e+03 1.36 1.692766633e+03 1.692766633e+03 1.38 1.464523692e+03 1.464523692e+03 1.40 1.270499269e+03 1.270499269e+03 1.42 1.105249556e+03 1.105249556e+03 1.44 9.640743957e+02 9.640743957e+02 1.46 8.430137049e+02 8.430137049e+02 1.48 7.391060901e+02 7.391060901e+02 1.50 6.496941118e+02 6.496941118e+02 1.52 5.725670554e+02 5.725670554e+02 1.54 5.058202258e+02 5.058202258e+02 1.56 4.479481518e+02 4.479481518e+02 1.58 3.976313999e+02 3.976313999e+02 1.60 3.537849656e+02 3.537849656e+02 1.62 3.154943930e+02 3.154943930e+02 1.64 2.818953615e+02 2.818953615e+02 1.66 2.524179877e+02 2.524179877e+02 1.68 2.265121235e+02 2.265121235e+02 1.70 2.036898462e+02 2.036898462e+02 1.72 1.835355412e+02 1.835355412e+02 1.74 1.656951923e+02 1.656951923e+02 1.76 1.498363523e+02 1.498363523e+02 1.78 1.357245043e+02 1.357245043e+02 1.80 1.231515573e+02 1.231515573e+02 1.82 1.119288653e+02 1.119288653e+02 1.84 1.018888252e+02 1.018888252e+02 1.86 9.288608747e+01 9.288608747e+01 1.88 8.479840123e+01 8.479840123e+01 1.90 7.751808485e+01 7.751808485e+01 1.92 7.094075473e+01 7.094075473e+01 1.94 6.499675710e+01 6.499675710e+01 1.96 5.961720699e+01 5.961720699e+01 1.98 5.473977212e+01 5.473977212e+01 2.00 5.030965861e+01 5.030965861e+01 2.02 4.627857726e+01 4.627857726e+01 2.04 4.260293800e+01 4.260293800e+01 2.06 3.924758277e+01 3.924758277e+01 2.08 3.618018064e+01 3.618018064e+01 2.10 3.337158787e+01 3.337158787e+01 2.12 3.078545872e+01 3.078545872e+01 2.14 2.840671154e+01 2.840671154e+01 2.16 2.622117326e+01 2.622117326e+01 2.18 2.421055100e+01 2.421055100e+01 2.20 2.235787050e+01 2.235787050e+01 2.22 2.064902505e+01 2.064902505e+01 2.24 1.907096788e+01 1.907096788e+01 2.26 1.761194540e+01 1.761194540e+01 2.28 1.626157908e+01 1.626157908e+01 2.30 1.501064576e+01 1.501064576e+01 2.32 1.385084030e+01 1.385084030e+01 2.34 1.277475316e+01 1.277475316e+01 2.36 1.177573961e+01 1.177573961e+01 2.38 1.084782466e+01 1.084782466e+01 2.40 9.985622106e+00 9.985622106e+00 2.42 9.180085920e+00 9.180085920e+00 2.44 8.431250954e+00 8.431250954e+00 2.46 7.735758417e+00 7.735758417e+00 2.48 7.089729987e+00 7.089729987e+00 2.50 6.489502591e+00 6.489502591e+00 2.52 5.931783901e+00 5.931783901e+00 2.54 5.413856534e+00 5.413856534e+00 2.56 4.932938636e+00 4.932938636e+00 2.58 4.486459827e+00 4.486459827e+00 2.60 4.072038254e+00 4.072038254e+00 2.62 3.686992759e+00 3.686992759e+00 2.64 3.329744588e+00 3.329744588e+00 2.66 2.998499275e+00 2.998499275e+00 2.68 2.691429697e+00 2.691429697e+00 2.70 2.406833243e+00 2.406833243e+00 2.72 2.143054013e+00 2.143054013e+00 2.74 1.898340226e+00 1.898340226e+00 2.76 1.671552890e+00 1.671552890e+00 2.78 1.461636340e+00 1.461636340e+00 2.80 1.267368805e+00 1.267368805e+00 2.82 1.087603578e+00 1.087603578e+00 2.84 9.212821212e-01 9.212821212e-01 2.86 7.674247676e-01 7.674247676e-01 2.88 6.244189249e-01 6.244189249e-01 2.90 4.922199459e-01 4.922199459e-01 2.92 3.700915922e-01 3.700915922e-01 2.94 2.573026172e-01 2.573026172e-01 2.96 1.531807023e-01 1.531807023e-01 2.98 5.711006542e-02 5.711006542e-02 3.00 -3.147734971e-02 -3.147734971e-02 3.02 -1.131024106e-01 -1.131024106e-01 3.04 -1.882418347e-01 -1.882418347e-01 3.06 -2.573590266e-01 -2.573590266e-01 3.08 -3.208687944e-01 -3.208687944e-01 3.10 -3.790821185e-01 -3.790821185e-01 3.12 -4.323427936e-01 -4.323427936e-01 3.14 -4.809676013e-01 -4.809676013e-01 3.16 -5.252492621e-01 -5.252492621e-01 3.18 -5.655171217e-01 -5.655171217e-01 3.20 -6.019565933e-01 -6.019565933e-01 3.22 -6.348025808e-01 -6.348025808e-01 3.24 -6.642789173e-01 -6.642789173e-01 3.26 -6.905965740e-01 -6.905965740e-01 3.28 -7.139552802e-01 -7.139552802e-01 3.30 -7.345449074e-01 -7.345449074e-01 3.32 -7.525466258e-01 -7.525466258e-01 3.34 -7.681338473e-01 -7.681338473e-01 3.36 -7.814729707e-01 -7.814729707e-01 3.38 -7.927239462e-01 -7.927239462e-01 3.40 -8.020406784e-01 -8.020406784e-01 3.42 -8.095704459e-01 -8.095704459e-01 3.44 -8.157934337e-01 -8.157934337e-01 3.46 -8.204420766e-01 -8.204420766e-01 3.48 -8.236503720e-01 -8.236503720e-01 3.50 -8.255559650e-01 -8.255559650e-01 3.52 -8.262886743e-01 -8.262886743e-01 3.54 -8.260385940e-01 -8.260385940e-01 3.56 -8.248585361e-01 -8.248585361e-01 3.58 -8.228303180e-01 -8.228303180e-01 3.60 -8.200568381e-01 -8.200568381e-01 3.62 -8.166328936e-01 -8.166328936e-01 3.64 -8.126453438e-01 -8.126453438e-01 3.66 -8.081732906e-01 -8.081732906e-01 3.68 -8.032899586e-01 -8.032899586e-01 3.70 -7.981851249e-01 -7.981851249e-01 3.72 -7.928423611e-01 -7.928423611e-01 3.74 -7.872400234e-01 -7.872400234e-01 3.76 -7.814049214e-01 -7.814049214e-01 3.78 -7.754825923e-01 -7.754825923e-01 3.80 -7.693956025e-01 -7.693956025e-01 3.82 -7.631736448e-01 -7.631736448e-01 3.84 -7.568439082e-01 -7.568439082e-01 3.86 -7.504282747e-01 -7.504282747e-01 3.88 -7.439438341e-01 -7.439438341e-01 3.90 -7.374101060e-01 -7.374101060e-01 3.92 -7.308650626e-01 -7.308650626e-01 3.94 -7.242724830e-01 -7.242724830e-01 3.96 -7.176357932e-01 -7.176357932e-01 3.98 -7.109562295e-01 -7.109562295e-01 4.00 -7.042327186e-01 -7.042327186e-01 4.02 -6.974624619e-01 -6.974624619e-01 4.04 -6.906412826e-01 -6.906412826e-01 4.06 -6.837639420e-01 -6.837639420e-01 4.08 -6.768244246e-01 -6.768244246e-01 4.10 -6.698161923e-01 -6.698161923e-01 4.12 -6.627324097e-01 -6.627324097e-01 4.14 -6.555661403e-01 -6.555661403e-01 4.16 -6.483105168e-01 -6.483105168e-01 4.18 -6.409588863e-01 -6.409588863e-01 4.20 -6.335049332e-01 -6.335049332e-01 4.22 -6.259427809e-01 -6.259427809e-01 4.24 -6.182670753e-01 -6.182670753e-01 4.26 -6.104730524e-01 -6.104730524e-01 4.28 -6.025565901e-01 -6.025565901e-01 4.30 -5.945142491e-01 -5.945142491e-01 4.32 -5.863565249e-01 -5.863565249e-01 4.34 -5.781656333e-01 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-3.279555017e-01 -3.279555017e-01 4.88 -3.178192513e-01 -3.178192513e-01 4.90 -3.077373430e-01 -3.077373430e-01 4.92 -2.977218044e-01 -2.977218044e-01 4.94 -2.877844175e-01 -2.877844175e-01 4.96 -2.779366852e-01 -2.779366852e-01 4.98 -2.681897971e-01 -2.681897971e-01 5.00 -2.585545954e-01 -2.585545954e-01 5.02 -2.490415417e-01 -2.490415417e-01 5.04 -2.396606846e-01 -2.396606846e-01 5.06 -2.304216293e-01 -2.304216293e-01 5.08 -2.213335081e-01 -2.213335081e-01 5.10 -2.124049533e-01 -2.124049533e-01 5.12 -2.036440729e-01 -2.036440729e-01 5.14 -1.950584282e-01 -1.950584282e-01 5.16 -1.866550147e-01 -1.866550147e-01 5.18 -1.784402457e-01 -1.784402457e-01 5.20 -1.704199388e-01 -1.704199388e-01 5.22 -1.625993065e-01 -1.625993065e-01 5.24 -1.549829488e-01 -1.549829488e-01 5.26 -1.475748500e-01 -1.475748500e-01 5.28 -1.403783786e-01 -1.403783786e-01 5.30 -1.333962899e-01 -1.333962899e-01 5.32 -1.266307323e-01 -1.266307323e-01 5.34 -1.200832564e-01 -1.200832564e-01 5.36 -1.137548269e-01 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