# 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 = IdLi2Na # 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 nan nan 1.24 nan nan 1.26 nan nan 1.28 nan nan 1.30 4.593831698e+06 4.593831698e+06 1.32 3.521305233e+06 3.521305233e+06 1.34 2.709774955e+06 2.709774955e+06 1.36 2.093198198e+06 2.093198198e+06 1.38 1.622870138e+06 1.622870138e+06 1.40 1.262711718e+06 1.262711718e+06 1.42 9.858805507e+05 9.858805507e+05 1.44 7.723218569e+05 7.723218569e+05 1.46 6.069910747e+05 6.069910747e+05 1.48 4.785571608e+05 4.785571608e+05 1.50 3.784528559e+05 3.784528559e+05 1.52 3.001764218e+05 3.001764218e+05 1.54 2.387755147e+05 2.387755147e+05 1.56 1.904645296e+05 1.904645296e+05 1.58 1.523397804e+05 1.523397804e+05 1.60 1.221665953e+05 1.221665953e+05 1.62 9.821942322e+04 9.821942322e+04 1.64 7.916162816e+04 7.916162816e+04 1.66 6.395461511e+04 6.395461511e+04 1.68 5.178897915e+04 5.178897915e+04 1.70 4.203199253e+04 4.203199253e+04 1.72 3.418765877e+04 3.418765877e+04 1.74 2.786605617e+04 2.786605617e+04 1.76 2.275982717e+04 2.275982717e+04 1.78 1.862605223e+04 1.862605223e+04 1.80 1.527222722e+04 1.527222722e+04 1.82 1.254542013e+04 1.254542013e+04 1.84 1.032383450e+04 1.032383450e+04 1.86 8.510217207e+03 8.510217207e+03 1.88 7.026781272e+03 7.026781272e+03 1.90 5.811130022e+03 5.811130022e+03 1.92 4.813098093e+03 4.813098093e+03 1.94 3.992271600e+03 3.992271600e+03 1.96 3.316023870e+03 3.316023870e+03 1.98 2.757958699e+03 2.757958699e+03 2.00 2.296668901e+03 2.296668901e+03 2.02 1.914782583e+03 1.914782583e+03 2.04 1.598155936e+03 1.598155936e+03 2.06 1.335254095e+03 1.335254095e+03 2.08 1.116654123e+03 1.116654123e+03 2.10 9.346440907e+02 9.346440907e+02 2.12 7.829026437e+02 7.829026437e+02 2.14 6.562375515e+02 6.562375515e+02 2.16 5.503786929e+02 5.503786929e+02 2.18 4.618050627e+02 4.618050627e+02 2.20 3.876169913e+02 3.876169913e+02 2.22 3.254147598e+02 3.254147598e+02 2.24 2.732117233e+02 2.732117233e+02 2.26 2.293602713e+02 2.293602713e+02 2.28 1.924933975e+02 1.924933975e+02 2.30 1.614740695e+02 1.614740695e+02 2.32 1.353566751e+02 1.353566751e+02 2.34 1.133526651e+02 1.133526651e+02 2.36 9.480338149e+01 9.480338149e+01 2.38 7.915950795e+01 7.915950795e+01 2.40 6.596002469e+01 6.596002469e+01 2.42 5.481870525e+01 5.481870525e+01 2.44 4.541490623e+01 4.541490623e+01 2.46 3.747721614e+01 3.747721614e+01 2.48 3.077757616e+01 3.077757616e+01 2.50 2.512385014e+01 2.512385014e+01 2.52 2.035469970e+01 2.035469970e+01 2.54 1.633360200e+01 1.633360200e+01 2.56 1.294584141e+01 1.294584141e+01 2.58 1.009459985e+01 1.009459985e+01 2.60 7.697671663e+00 7.697671663e+00 2.62 5.685779827e+00 5.685779827e+00 2.64 4.000236494e+00 4.000236494e+00 2.66 2.591375301e+00 2.591375301e+00 2.68 1.416960595e+00 1.416960595e+00 2.70 4.411755676e-01 4.411755676e-01 2.72 -3.663687034e-01 -3.663687034e-01 2.74 -1.032188811e+00 -1.032188811e+00 2.76 -1.577616463e+00 -1.577616463e+00 2.78 -2.020929012e+00 -2.020929012e+00 2.80 -2.377994048e+00 -2.377994048e+00 2.82 -2.662515071e+00 -2.662515071e+00 2.84 -2.885549078e+00 -2.885549078e+00 2.86 -3.056816318e+00 -3.056816318e+00 2.88 -3.184512798e+00 -3.184512798e+00 2.90 -3.275716688e+00 -3.275716688e+00 2.92 -3.336392157e+00 -3.336392157e+00 2.94 -3.371590198e+00 -3.371590198e+00 2.96 -3.385596180e+00 -3.385596180e+00 2.98 -3.382044036e+00 -3.382044036e+00 3.00 -3.364013409e+00 -3.364013409e+00 3.02 -3.334112271e+00 -3.334112271e+00 3.04 -3.294674526e+00 -3.294674526e+00 3.06 -3.247440403e+00 -3.247440403e+00 3.08 -3.193948838e+00 -3.193948838e+00 3.10 -3.135533628e+00 -3.135533628e+00 3.12 -3.073315855e+00 -3.073315855e+00 3.14 -3.008236277e+00 -3.008236277e+00 3.16 -2.941082092e+00 -2.941082092e+00 3.18 -2.872545204e+00 -2.872545204e+00 3.20 -2.803168515e+00 -2.803168515e+00 3.22 -2.733348245e+00 -2.733348245e+00 3.24 -2.663459348e+00 -2.663459348e+00 3.26 -2.593951484e+00 -2.593951484e+00 3.28 -2.525264515e+00 -2.525264515e+00 3.30 -2.457270165e+00 -2.457270165e+00 3.32 -2.390009646e+00 -2.390009646e+00 3.34 -2.323646490e+00 -2.323646490e+00 3.36 -2.258279258e+00 -2.258279258e+00 3.38 -2.193957468e+00 -2.193957468e+00 3.40 -2.130819031e+00 -2.130819031e+00 3.42 -2.068826106e+00 -2.068826106e+00 3.44 -2.007997649e+00 -2.007997649e+00 3.46 -1.948352146e+00 -1.948352146e+00 3.48 -1.889899447e+00 -1.889899447e+00 3.50 -1.832642999e+00 -1.832642999e+00 3.52 -1.776578889e+00 -1.776578889e+00 3.54 -1.721705537e+00 -1.721705537e+00 3.56 -1.668018116e+00 -1.668018116e+00 3.58 -1.615510424e+00 -1.615510424e+00 3.60 -1.564176123e+00 -1.564176123e+00 3.62 -1.514009542e+00 -1.514009542e+00 3.64 -1.465006030e+00 -1.465006030e+00 3.66 -1.417162139e+00 -1.417162139e+00 3.68 -1.370475649e+00 -1.370475649e+00 3.70 -1.324945477e+00 -1.324945477e+00 3.72 -1.280732652e+00 -1.280732652e+00 3.74 -1.237684227e+00 -1.237684227e+00 3.76 -1.195759114e+00 -1.195759114e+00 3.78 -1.154963407e+00 -1.154963407e+00 3.80 -1.115300928e+00 -1.115300928e+00 3.82 -1.076776179e+00 -1.076776179e+00 3.84 -1.039390596e+00 -1.039390596e+00 3.86 -1.003143416e+00 -1.003143416e+00 3.88 -9.680314473e-01 -9.680314473e-01 3.90 -9.340488643e-01 -9.340488643e-01 3.92 -9.011870514e-01 -9.011870514e-01 3.94 -8.694345121e-01 -8.694345121e-01 3.96 -8.387881585e-01 -8.387881585e-01 3.98 -8.092658336e-01 -8.092658336e-01 4.00 -7.807894774e-01 -7.807894774e-01 4.02 -7.533381998e-01 -7.533381998e-01 4.04 -7.268884279e-01 -7.268884279e-01 4.06 -7.014141721e-01 -7.014141721e-01 4.08 -6.768873240e-01 -6.768873240e-01 4.10 -6.532779778e-01 -6.532779778e-01 4.12 -6.305547654e-01 -6.305547654e-01 4.14 -6.086851976e-01 -6.086851976e-01 4.16 -5.876360018e-01 -5.876360018e-01 4.18 -5.673734496e-01 -5.673734496e-01 4.20 -5.478636672e-01 -5.478636672e-01 4.22 -5.290729243e-01 -5.290729243e-01 4.24 -5.109678967e-01 -5.109678967e-01 4.26 -4.935158984e-01 -4.935158984e-01 4.28 -4.767026343e-01 -4.767026343e-01 4.30 -4.604943953e-01 -4.604943953e-01 4.32 -4.448419649e-01 -4.448419649e-01 4.34 -4.297173070e-01 -4.297173070e-01 4.36 -4.150939128e-01 -4.150939128e-01 4.38 -4.009493544e-01 -4.009493544e-01 4.40 -3.872577703e-01 -3.872577703e-01 4.42 -3.739952862e-01 -3.739952862e-01 4.44 -3.611408595e-01 -3.611408595e-01 4.46 -3.486748070e-01 -3.486748070e-01 4.48 -3.365787725e-01 -3.365787725e-01 4.50 -3.249223886e-01 -3.249223886e-01 4.52 -3.136149656e-01 -3.136149656e-01 4.54 -3.026082313e-01 -3.026082313e-01 4.56 -2.918922612e-01 -2.918922612e-01 4.58 -2.814580113e-01 -2.814580113e-01 4.60 -2.712967463e-01 -2.712967463e-01 4.62 -2.614002355e-01 -2.614002355e-01 4.64 -2.517607535e-01 -2.517607535e-01 4.66 -2.423710746e-01 -2.423710746e-01 4.68 -2.332244635e-01 -2.332244635e-01 4.70 -2.243146640e-01 -2.243146640e-01 4.72 -2.156358841e-01 -2.156358841e-01 4.74 -2.071827790e-01 -2.071827790e-01 4.76 -1.989504304e-01 -1.989504304e-01 4.78 -1.909343252e-01 -1.909343252e-01 4.80 -1.831303309e-01 -1.831303309e-01 4.82 -1.755346696e-01 -1.755346696e-01 4.84 -1.681438905e-01 -1.681438905e-01 4.86 -1.610506360e-01 -1.610506360e-01 4.88 -1.541849905e-01 -1.541849905e-01 4.90 -1.474993234e-01 -1.474993234e-01 4.92 -1.409928910e-01 -1.409928910e-01 4.94 -1.346649773e-01 -1.346649773e-01 4.96 -1.285146277e-01 -1.285146277e-01 4.98 -1.225403242e-01 -1.225403242e-01 5.00 -1.167425337e-01 -1.167425337e-01 5.02 -1.111204368e-01 -1.111204368e-01 5.04 -1.056731470e-01 -1.056731470e-01 5.06 -1.003996940e-01 -1.003996940e-01 5.08 -9.529900748e-02 -9.529900748e-02 5.10 -9.036990314e-02 -9.036990314e-02 5.12 -8.561106983e-02 -8.561106983e-02 5.14 -8.102105823e-02 -8.102105823e-02 5.16 -7.659827144e-02 -7.659827144e-02 5.18 -7.234095722e-02 -7.234095722e-02 5.20 -6.824720203e-02 -6.824720203e-02 5.22 -6.431492701e-02 -6.431492701e-02 5.24 -6.054760999e-02 -6.054760999e-02 5.26 -5.701287690e-02 -5.701287690e-02 5.28 -5.362044489e-02 -5.362044489e-02 5.30 -5.036917603e-02 -5.036917603e-02 5.32 -4.725736228e-02 -4.725736228e-02 5.34 -4.428302351e-02 -4.428302351e-02 5.36 -4.144392423e-02 -4.144392423e-02 5.38 -3.873759112e-02 -3.873759112e-02 5.40 -3.616133121e-02 -3.616133121e-02 5.42 -3.371225047e-02 -3.371225047e-02 5.44 -3.138727285e-02 -3.138727285e-02 5.46 -2.918315943e-02 -2.918315943e-02 5.48 -2.709652770e-02 -2.709652770e-02 5.50 -2.512387072e-02 -2.512387072e-02 5.52 -2.326157614e-02 -2.326157614e-02 5.54 -2.150594486e-02 -2.150594486e-02 5.56 -1.985320930e-02 -1.985320930e-02 5.58 -1.829955108e-02 -1.829955108e-02 5.60 -1.684111817e-02 -1.684111817e-02 5.62 -1.547404126e-02 -1.547404126e-02 5.64 -1.419444937e-02 -1.419444937e-02 5.66 -1.299848461e-02 -1.299848461e-02 5.68 -1.188231609e-02 -1.188231609e-02 5.70 -1.084215281e-02 -1.084215281e-02 5.72 -9.874255661e-03 -9.874255661e-03 5.74 -8.974965835e-03 -8.974965835e-03 5.76 -8.140767958e-03 -8.140767958e-03 5.78 -7.368014774e-03 -7.368014774e-03 5.80 -6.653276524e-03 -6.653276524e-03 5.82 -5.993219899e-03 -5.993219899e-03 5.84 -5.384614023e-03 -5.384614023e-03 5.86 -4.824335500e-03 -4.824335500e-03 5.88 -4.309372542e-03 -4.309372542e-03 5.90 -3.836828221e-03 -3.836828221e-03 5.92 -3.403922886e-03 -3.403922886e-03 5.94 -3.007995787e-03 -3.007995787e-03 5.96 -2.646505956e-03 -2.646505956e-03 5.98 -2.317032401e-03 -2.317032401e-03 6.00 -2.017273664e-03 -2.017273664e-03