# 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 = F2IdRb # 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 1.130196810e+06 1.130196810e+06 1.32 nan nan 1.34 7.160934057e+05 7.160934057e+05 1.36 5.728434434e+05 5.728434434e+05 1.38 4.597072658e+05 4.597072658e+05 1.40 3.700520253e+05 3.700520253e+05 1.42 2.987716474e+05 2.987716474e+05 1.44 2.419200849e+05 2.419200849e+05 1.46 1.964363354e+05 1.964363354e+05 1.48 1.599384145e+05 1.599384145e+05 1.50 1.305659349e+05 1.305659349e+05 1.52 1.068609229e+05 1.068609229e+05 1.54 8.767708063e+04 8.767708063e+04 1.56 7.211085013e+04 7.211085013e+04 1.58 5.944728054e+04 5.944728054e+04 1.60 4.911913117e+04 4.911913117e+04 1.62 4.067500728e+04 4.067500728e+04 1.64 3.375473598e+04 3.375473598e+04 1.66 2.807018971e+04 2.807018971e+04 1.68 2.339018049e+04 2.339018049e+04 1.70 1.952872055e+04 1.952872055e+04 1.72 1.633580360e+04 1.633580360e+04 1.74 1.369012529e+04 1.369012529e+04 1.76 1.149354669e+04 1.149354669e+04 1.78 9.666240096e+03 9.666240096e+03 1.80 8.143211173e+03 8.143211173e+03 1.82 6.871416721e+03 6.871416721e+03 1.84 5.807477643e+03 5.807477643e+03 1.86 4.915817369e+03 4.915817369e+03 1.88 4.167284497e+03 4.167284497e+03 1.90 3.537863175e+03 3.537863175e+03 1.92 3.007729671e+03 3.007729671e+03 1.94 2.560511988e+03 2.560511988e+03 1.96 2.182656668e+03 2.182656668e+03 1.98 1.862927111e+03 1.862927111e+03 2.00 1.591985561e+03 1.591985561e+03 2.02 1.362050510e+03 1.362050510e+03 2.04 1.166646962e+03 1.166646962e+03 2.06 1.000371796e+03 1.000371796e+03 2.08 8.586942901e+02 8.586942901e+02 2.10 7.378273403e+02 7.378273403e+02 2.12 6.345846615e+02 6.345846615e+02 2.14 5.462896519e+02 5.462896519e+02 2.16 4.706904557e+02 4.706904557e+02 2.18 4.058881729e+02 4.058881729e+02 2.20 3.502794281e+02 3.502794281e+02 2.22 3.025089406e+02 3.025089406e+02 2.24 2.614182956e+02 2.614182956e+02 2.26 2.260418915e+02 2.260418915e+02 2.28 1.955606858e+02 1.955606858e+02 2.30 1.692722418e+02 1.692722418e+02 2.32 1.465788537e+02 1.465788537e+02 2.34 1.269708606e+02 1.269708606e+02 2.36 1.100145006e+02 1.100145006e+02 2.38 9.533940525e+01 9.533940525e+01 2.40 8.262900773e+01 8.262900773e+01 2.42 7.161167086e+01 7.161167086e+01 2.44 6.205516992e+01 6.205516992e+01 2.46 5.376035846e+01 5.376035846e+01 2.48 4.655536634e+01 4.655536634e+01 2.50 4.029448593e+01 4.029448593e+01 2.52 3.485131730e+01 3.485131730e+01 2.54 3.011615298e+01 3.011615298e+01 2.56 2.599239946e+01 2.599239946e+01 2.58 2.240346604e+01 2.240346604e+01 2.60 1.927914326e+01 1.927914326e+01 2.62 1.655868900e+01 1.655868900e+01 2.64 1.419007946e+01 1.419007946e+01 2.66 1.212740321e+01 1.212740321e+01 2.68 1.033143089e+01 1.033143089e+01 2.70 8.768254532e+00 8.768254532e+00 2.72 7.408066304e+00 7.408066304e+00 2.74 6.224957939e+00 6.224957939e+00 2.76 5.196364374e+00 5.196364374e+00 2.78 4.302655829e+00 4.302655829e+00 2.80 3.526717527e+00 3.526717527e+00 2.82 2.853611441e+00 2.853611441e+00 2.84 2.270292798e+00 2.270292798e+00 2.86 1.765381209e+00 1.765381209e+00 2.88 1.328940114e+00 1.328940114e+00 2.90 9.521603706e-01 9.521603706e-01 2.92 6.274092863e-01 6.274092863e-01 2.94 3.480044405e-01 3.480044405e-01 2.96 1.080931650e-01 1.080931650e-01 2.98 -9.744982226e-02 -9.744982226e-02 3.00 -2.731111676e-01 -2.731111676e-01 3.02 -4.229730257e-01 -4.229730257e-01 3.04 -5.511943070e-01 -5.511943070e-01 3.06 -6.598567946e-01 -6.598567946e-01 3.08 -7.514015893e-01 -7.514015893e-01 3.10 -8.281330804e-01 -8.281330804e-01 3.12 -8.920532127e-01 -8.920532127e-01 3.14 -9.448977828e-01 -9.448977828e-01 3.16 -9.881686673e-01 -9.881686673e-01 3.18 -1.023227338e+00 -1.023227338e+00 3.20 -1.051188624e+00 -1.051188624e+00 3.22 -1.072913893e+00 -1.072913893e+00 3.24 -1.089264442e+00 -1.089264442e+00 3.26 -1.101029791e+00 -1.101029791e+00 3.28 -1.108688000e+00 -1.108688000e+00 3.30 -1.112766231e+00 -1.112766231e+00 3.32 -1.113715602e+00 -1.113715602e+00 3.34 -1.111922703e+00 -1.111922703e+00 3.36 -1.107719664e+00 -1.107719664e+00 3.38 -1.101392928e+00 -1.101392928e+00 3.40 -1.093190824e+00 -1.093190824e+00 3.42 -1.083330086e+00 -1.083330086e+00 3.44 -1.072001404e+00 -1.072001404e+00 3.46 -1.059374120e+00 -1.059374120e+00 3.48 -1.045600440e+00 -1.045600440e+00 3.50 -1.031325672e+00 -1.031325672e+00 3.52 -1.016081886e+00 -1.016081886e+00 3.54 -9.999625080e-01 -9.999625080e-01 3.56 -9.831004865e-01 -9.831004865e-01 3.58 -9.656169016e-01 -9.656169016e-01 3.60 -9.476243616e-01 -9.476243616e-01 3.62 -9.292281635e-01 -9.292281635e-01 3.64 -9.105269614e-01 -9.105269614e-01 3.66 -8.916134221e-01 -8.916134221e-01 3.68 -8.725774438e-01 -8.725774438e-01 3.70 -8.537536944e-01 -8.537536944e-01 3.72 -8.349087649e-01 -8.349087649e-01 3.74 -8.161241357e-01 -8.161241357e-01 3.76 -7.974739147e-01 -7.974739147e-01 3.78 -7.790257312e-01 -7.790257312e-01 3.80 -7.608407210e-01 -7.608407210e-01 3.82 -7.429735073e-01 -7.429735073e-01 3.84 -7.254803836e-01 -7.254803836e-01 3.86 -7.084144908e-01 -7.084144908e-01 3.88 -6.917874126e-01 -6.917874126e-01 3.90 -6.756283925e-01 -6.756283925e-01 3.92 -6.599605036e-01 -6.599605036e-01 3.94 -6.448008797e-01 -6.448008797e-01 3.96 -6.301601247e-01 -6.301601247e-01 3.98 -6.160954054e-01 -6.160954054e-01 4.00 -6.026516257e-01 -6.026516257e-01 4.02 -5.897102291e-01 -5.897102291e-01 4.04 -5.772664024e-01 -5.772664024e-01 4.06 -5.653116084e-01 -5.653116084e-01 4.08 -5.538341090e-01 -5.538341090e-01 4.10 -5.428194887e-01 -5.428194887e-01 4.12 -5.322511693e-01 -5.322511693e-01 4.14 -5.221109032e-01 -5.221109032e-01 4.16 -5.123792398e-01 -5.123792398e-01 4.18 -5.030359549e-01 -5.030359549e-01 4.20 -4.940604387e-01 -4.940604387e-01 4.22 -4.854320371e-01 -4.854320371e-01 4.24 -4.771303442e-01 -4.771303442e-01 4.26 -4.691354442e-01 -4.691354442e-01 4.28 -4.614281036e-01 -4.614281036e-01 4.30 -4.539899149e-01 -4.539899149e-01 4.32 -4.468032494e-01 -4.468032494e-01 4.34 -4.398517422e-01 -4.398517422e-01 4.36 -4.331199202e-01 -4.331199202e-01 4.38 -4.265932671e-01 -4.265932671e-01 4.40 -4.202582152e-01 -4.202582152e-01 4.42 -4.141020848e-01 -4.141020848e-01 4.44 -4.081130079e-01 -4.081130079e-01 4.46 -4.022798401e-01 -4.022798401e-01 4.48 -3.965920680e-01 -3.965920680e-01 4.50 -3.911736439e-01 -3.911736439e-01 4.52 -3.859002224e-01 -3.859002224e-01 4.54 -3.807105407e-01 -3.807105407e-01 4.56 -3.756012823e-01 -3.756012823e-01 4.58 -3.705685246e-01 -3.705685246e-01 4.60 -3.656077688e-01 -3.656077688e-01 4.62 -3.607139769e-01 -3.607139769e-01 4.64 -3.558816156e-01 -3.558816156e-01 4.66 -3.511047044e-01 -3.511047044e-01 4.68 -3.463768708e-01 -3.463768708e-01 4.70 -3.416914084e-01 -3.416914084e-01 4.72 -3.370413390e-01 -3.370413390e-01 4.74 -3.324194781e-01 -3.324194781e-01 4.76 -3.278185019e-01 -3.278185019e-01 4.78 -3.232310161e-01 -3.232310161e-01 4.80 -3.186496247e-01 -3.186496247e-01 4.82 -3.140669995e-01 -3.140669995e-01 4.84 -3.094759479e-01 -3.094759479e-01 4.86 -3.048694795e-01 -3.048694795e-01 4.88 -3.002552813e-01 -3.002552813e-01 4.90 -2.956633907e-01 -2.956633907e-01 4.92 -2.910267010e-01 -2.910267010e-01 4.94 -2.863409218e-01 -2.863409218e-01 4.96 -2.816011992e-01 -2.816011992e-01 4.98 -2.768046657e-01 -2.768046657e-01 5.00 -2.719486558e-01 -2.719486558e-01 5.02 -2.670306259e-01 -2.670306259e-01 5.04 -2.620485886e-01 -2.620485886e-01 5.06 -2.570011475e-01 -2.570011475e-01 5.08 -2.518875267e-01 -2.518875267e-01 5.10 -2.467075935e-01 -2.467075935e-01 5.12 -2.414618741e-01 -2.414618741e-01 5.14 -2.361515641e-01 -2.361515641e-01 5.16 -2.307785318e-01 -2.307785318e-01 5.18 -2.253453153e-01 -2.253453153e-01 5.20 -2.198551210e-01 -2.198551210e-01 5.22 -2.143886458e-01 -2.143886458e-01 5.24 -2.088794453e-01 -2.088794453e-01 5.26 -2.033138877e-01 -2.033138877e-01 5.28 -1.976991871e-01 -1.976991871e-01 5.30 -1.920429306e-01 -1.920429306e-01 5.32 -1.863530492e-01 -1.863530492e-01 5.34 -1.806377843e-01 -1.806377843e-01 5.36 -1.749056504e-01 -1.749056504e-01 5.38 -1.691653944e-01 -1.691653944e-01 5.40 -1.634259510e-01 -1.634259510e-01 5.42 -1.576963962e-01 -1.576963962e-01 5.44 -1.519858978e-01 -1.519858978e-01 5.46 -1.463036647e-01 -1.463036647e-01 5.48 -1.406588942e-01 -1.406588942e-01 5.50 -1.350640420e-01 -1.350640420e-01 5.52 -1.295315410e-01 -1.295315410e-01 5.54 -1.240619114e-01 -1.240619114e-01 5.56 -1.186639724e-01 -1.186639724e-01 5.58 -1.133462499e-01 -1.133462499e-01 5.60 -1.081169303e-01 -1.081169303e-01 5.62 -1.029838166e-01 -1.029838166e-01 5.64 -9.795428831e-02 -9.795428831e-02 5.66 -9.303526343e-02 -9.303526343e-02 5.68 -8.823316513e-02 -8.823316513e-02 5.70 -8.355389204e-02 -8.355389204e-02 5.72 -7.900279297e-02 -7.900279297e-02 5.74 -7.458464620e-02 -7.458464620e-02 5.76 -7.030364353e-02 -7.030364353e-02 5.78 -6.616337898e-02 -6.616337898e-02 5.80 -6.216684255e-02 -6.216684255e-02 5.82 -5.831641856e-02 -5.831641856e-02 5.84 -5.461388888e-02 -5.461388888e-02 5.86 -5.106044061e-02 -5.106044061e-02 5.88 -4.765667821e-02 -4.765667821e-02 5.90 -4.440263964e-02 -4.440263964e-02 5.92 -4.129781647e-02 -4.129781647e-02 5.94 -3.834117736e-02 -3.834117736e-02 5.96 -3.553119475e-02 -3.553119475e-02 5.98 -3.286587425e-02 -3.286587425e-02 6.00 -3.034278647e-02 -3.034278647e-02