# 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 = IdLi2Rb # 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 5.642598836e+06 5.642598836e+06 1.32 nan nan 1.34 nan nan 1.36 2.622470241e+06 2.622470241e+06 1.38 2.046998848e+06 2.046998848e+06 1.40 1.603632550e+06 1.603632550e+06 1.42 1.260736955e+06 1.260736955e+06 1.44 9.945584659e+05 9.945584659e+05 1.46 7.871871048e+05 7.871871048e+05 1.48 6.250642220e+05 6.250642220e+05 1.50 4.978849043e+05 4.978849043e+05 1.52 3.977874167e+05 3.977874167e+05 1.54 3.187515074e+05 3.187515074e+05 1.56 2.561504767e+05 2.561504767e+05 1.58 2.064161189e+05 2.064161189e+05 1.60 1.667871874e+05 1.667871874e+05 1.62 1.351196318e+05 1.351196318e+05 1.64 1.097432314e+05 1.097432314e+05 1.66 8.935286527e+04 8.935286527e+04 1.68 7.292553120e+04 7.292553120e+04 1.70 5.965688974e+04 5.965688974e+04 1.72 4.891274001e+04 4.891274001e+04 1.74 4.019156838e+04 4.019156838e+04 1.76 3.309566990e+04 3.309566990e+04 1.78 2.730883548e+04 2.730883548e+04 1.80 2.257896469e+04 2.257896469e+04 1.82 1.870455200e+04 1.870455200e+04 1.84 1.552412537e+04 1.552412537e+04 1.86 1.290795726e+04 1.290795726e+04 1.88 1.075162073e+04 1.075162073e+04 1.90 8.970819295e+03 8.970819295e+03 1.92 7.497343030e+03 7.497343030e+03 1.94 6.275895748e+03 6.275895748e+03 1.96 5.261545300e+03 5.261545300e+03 1.98 4.417705579e+03 4.417705579e+03 2.00 3.714511653e+03 3.714511653e+03 2.02 3.127556683e+03 3.127556683e+03 2.04 2.636841506e+03 2.636841506e+03 2.06 2.225946791e+03 2.225946791e+03 2.08 1.881368587e+03 1.881368587e+03 2.10 1.591985577e+03 1.591985577e+03 2.12 1.348605288e+03 1.348605288e+03 2.14 1.143631117e+03 1.143631117e+03 2.16 9.707723930e+02 9.707723930e+02 2.18 8.248075525e+02 8.248075525e+02 2.20 7.014006455e+02 7.014006455e+02 2.22 5.969396454e+02 5.969396454e+02 2.24 5.084127864e+02 5.084127864e+02 2.26 4.333044888e+02 4.333044888e+02 2.28 3.695124367e+02 3.695124367e+02 2.30 3.152753604e+02 3.152753604e+02 2.32 2.691161297e+02 2.691161297e+02 2.34 2.297942567e+02 2.297942567e+02 2.36 1.962660627e+02 1.962660627e+02 2.38 1.676539003e+02 1.676539003e+02 2.40 1.432171278e+02 1.432171278e+02 2.42 1.223287191e+02 1.223287191e+02 2.44 1.044625225e+02 1.044625225e+02 2.46 8.917133019e+01 8.917133019e+01 2.48 7.607623878e+01 7.607623878e+01 2.50 6.485608328e+01 6.485608328e+01 2.52 5.523781622e+01 5.523781622e+01 2.54 4.698932218e+01 4.698932218e+01 2.56 3.991300042e+01 3.991300042e+01 2.58 3.384103586e+01 3.384103586e+01 2.60 2.862996533e+01 2.862996533e+01 2.62 2.415717421e+01 2.415717421e+01 2.64 2.031807941e+01 2.031807941e+01 2.66 1.702322438e+01 1.702322438e+01 2.68 1.419565555e+01 1.419565555e+01 2.70 1.177019278e+01 1.177019278e+01 2.72 9.690485700e+00 9.690485700e+00 2.74 7.907511733e+00 7.907511733e+00 2.76 6.380260086e+00 6.380260086e+00 2.78 5.073361137e+00 5.073361137e+00 2.80 3.956115749e+00 3.956115749e+00 2.82 3.002109101e+00 3.002109101e+00 2.84 2.188604809e+00 2.188604809e+00 2.86 1.496043464e+00 1.496043464e+00 2.88 9.077684515e-01 9.077684515e-01 2.90 4.089560922e-01 4.089560922e-01 2.92 -1.291459354e-02 -1.291459354e-02 2.94 -3.686291167e-01 -3.686291167e-01 2.96 -6.674853627e-01 -6.674853627e-01 2.98 -9.174985744e-01 -9.174985744e-01 3.00 -1.125577498e+00 -1.125577498e+00 3.02 -1.297671048e+00 -1.297671048e+00 3.04 -1.439039107e+00 -1.439039107e+00 3.06 -1.553977103e+00 -1.553977103e+00 3.08 -1.646251494e+00 -1.646251494e+00 3.10 -1.719139781e+00 -1.719139781e+00 3.12 -1.775458512e+00 -1.775458512e+00 3.14 -1.817626969e+00 -1.817626969e+00 3.16 -1.847721467e+00 -1.847721467e+00 3.18 -1.867587165e+00 -1.867587165e+00 3.20 -1.878746928e+00 -1.878746928e+00 3.22 -1.882406943e+00 -1.882406943e+00 3.24 -1.879692085e+00 -1.879692085e+00 3.26 -1.871705879e+00 -1.871705879e+00 3.28 -1.859214392e+00 -1.859214392e+00 3.30 -1.842789749e+00 -1.842789749e+00 3.32 -1.823033315e+00 -1.823033315e+00 3.34 -1.800488766e+00 -1.800488766e+00 3.36 -1.775589752e+00 -1.775589752e+00 3.38 -1.748673698e+00 -1.748673698e+00 3.40 -1.720064106e+00 -1.720064106e+00 3.42 -1.690039221e+00 -1.690039221e+00 3.44 -1.658839382e+00 -1.658839382e+00 3.46 -1.626673313e+00 -1.626673313e+00 3.48 -1.593723483e+00 -1.593723483e+00 3.50 -1.560306149e+00 -1.560306149e+00 3.52 -1.526582794e+00 -1.526582794e+00 3.54 -1.492429190e+00 -1.492429190e+00 3.56 -1.457977397e+00 -1.457977397e+00 3.58 -1.423345299e+00 -1.423345299e+00 3.60 -1.388640532e+00 -1.388640532e+00 3.62 -1.353962300e+00 -1.353962300e+00 3.64 -1.319402423e+00 -1.319402423e+00 3.66 -1.285046278e+00 -1.285046278e+00 3.68 -1.250973467e+00 -1.250973467e+00 3.70 -1.217258280e+00 -1.217258280e+00 3.72 -1.184131146e+00 -1.184131146e+00 3.74 -1.151502961e+00 -1.151502961e+00 3.76 -1.119391285e+00 -1.119391285e+00 3.78 -1.087855996e+00 -1.087855996e+00 3.80 -1.056951169e+00 -1.056951169e+00 3.82 -1.026725027e+00 -1.026725027e+00 3.84 -9.972249668e-01 -9.972249668e-01 3.86 -9.684946756e-01 -9.684946756e-01 3.88 -9.405498535e-01 -9.405498535e-01 3.90 -9.134150417e-01 -9.134150417e-01 3.92 -8.871088787e-01 -8.871088787e-01 3.94 -8.616442297e-01 -8.616442297e-01 3.96 -8.370279680e-01 -8.370279680e-01 3.98 -8.132618441e-01 -8.132618441e-01 4.00 -7.903435300e-01 -7.903435300e-01 4.02 -7.682652376e-01 -7.682652376e-01 4.04 -7.470148970e-01 -7.470148970e-01 4.06 -7.265765858e-01 -7.265765858e-01 4.08 -7.069309810e-01 -7.069309810e-01 4.10 -6.880558260e-01 -6.880558260e-01 4.12 -6.699263998e-01 -6.699263998e-01 4.14 -6.525159808e-01 -6.525159808e-01 4.16 -6.357962960e-01 -6.357962960e-01 4.18 -6.197379467e-01 -6.197379467e-01 4.20 -6.043108054e-01 -6.043108054e-01 4.22 -5.894843786e-01 -5.894843786e-01 4.24 -5.752281305e-01 -5.752281305e-01 4.26 -5.615117679e-01 -5.615117679e-01 4.28 -5.483230459e-01 -5.483230459e-01 4.30 -5.356299690e-01 -5.356299690e-01 4.32 -5.233847169e-01 -5.233847169e-01 4.34 -5.115603794e-01 -5.115603794e-01 4.36 -5.001313007e-01 -5.001313007e-01 4.38 -4.890728574e-01 -4.890728574e-01 4.40 -4.783614882e-01 -4.783614882e-01 4.42 -4.679747635e-01 -4.679747635e-01 4.44 -4.578913815e-01 -4.578913815e-01 4.46 -4.480911491e-01 -4.480911491e-01 4.48 -4.385549521e-01 -4.385549521e-01 4.50 -4.293986479e-01 -4.293986479e-01 4.52 -4.204903541e-01 -4.204903541e-01 4.54 -4.117618728e-01 -4.117618728e-01 4.56 -4.032035914e-01 -4.032035914e-01 4.58 -3.948059593e-01 -3.948059593e-01 4.60 -3.865595390e-01 -3.865595390e-01 4.62 -3.784550565e-01 -3.784550565e-01 4.64 -3.704834501e-01 -3.704834501e-01 4.66 -3.626359168e-01 -3.626359168e-01 4.68 -3.549039568e-01 -3.549039568e-01 4.70 -3.472794153e-01 -3.472794153e-01 4.72 -3.397545211e-01 -3.397545211e-01 4.74 -3.323219222e-01 -3.323219222e-01 4.76 -3.249747179e-01 -3.249747179e-01 4.78 -3.177064871e-01 -3.177064871e-01 4.80 -3.105113133e-01 -3.105113133e-01 4.82 -3.033838049e-01 -3.033838049e-01 4.84 -2.963191120e-01 -2.963191120e-01 4.86 -2.893129392e-01 -2.893129392e-01 4.88 -2.823615540e-01 -2.823615540e-01 4.90 -2.754617911e-01 -2.754617911e-01 4.92 -2.686110532e-01 -2.686110532e-01 4.94 -2.618073070e-01 -2.618073070e-01 4.96 -2.550488706e-01 -2.550488706e-01 4.98 -2.483337917e-01 -2.483337917e-01 5.00 -2.416630428e-01 -2.416630428e-01 5.02 -2.350367292e-01 -2.350367292e-01 5.04 -2.284554482e-01 -2.284554482e-01 5.06 -2.219202662e-01 -2.219202662e-01 5.08 -2.154326912e-01 -2.154326912e-01 5.10 -2.089946440e-01 -2.089946440e-01 5.12 -2.026084272e-01 -2.026084272e-01 5.14 -1.962766917e-01 -1.962766917e-01 5.16 -1.900024025e-01 -1.900024025e-01 5.18 -1.837888025e-01 -1.837888025e-01 5.20 -1.776393759e-01 -1.776393759e-01 5.22 -1.715578104e-01 -1.715578104e-01 5.24 -1.655539607e-01 -1.655539607e-01 5.26 -1.597010168e-01 -1.597010168e-01 5.28 -1.539161798e-01 -1.539161798e-01 5.30 -1.482049032e-01 -1.482049032e-01 5.32 -1.425725229e-01 -1.425725229e-01 5.34 -1.370242365e-01 -1.370242365e-01 5.36 -1.315650780e-01 -1.315650780e-01 5.38 -1.261998940e-01 -1.261998940e-01 5.40 -1.209333207e-01 -1.209333207e-01 5.42 -1.157697624e-01 -1.157697624e-01 5.44 -1.107133715e-01 -1.107133715e-01 5.46 -1.057680299e-01 -1.057680299e-01 5.48 -1.009373328e-01 -1.009373328e-01 5.50 -9.622789645e-02 -9.622789645e-02 5.52 -9.164611763e-02 -9.164611763e-02 5.54 -8.718632581e-02 -8.718632581e-02 5.56 -8.285103809e-02 -8.285103809e-02 5.58 -7.864241057e-02 -7.864241057e-02 5.60 -7.456223622e-02 -7.456223622e-02 5.62 -7.061194471e-02 -7.061194471e-02 5.64 -6.679260423e-02 -6.679260423e-02 5.66 -6.310492530e-02 -6.310492530e-02 5.68 -5.954926635e-02 -5.954926635e-02 5.70 -5.612564120e-02 -5.612564120e-02 5.72 -5.283372822e-02 -5.283372822e-02 5.74 -4.967288107e-02 -4.967288107e-02 5.76 -4.664214101e-02 -4.664214101e-02 5.78 -4.374025049e-02 -4.374025049e-02 5.80 -4.096566808e-02 -4.096566808e-02 5.82 -3.831658437e-02 -3.831658437e-02 5.84 -3.579093894e-02 -3.579093894e-02 5.86 -3.338643800e-02 -3.338643800e-02 5.88 -3.110057275e-02 -3.110057275e-02 5.90 -2.893063821e-02 -2.893063821e-02 5.92 -2.687375230e-02 -2.687375230e-02 5.94 -2.492687525e-02 -2.492687525e-02 5.96 -2.308682889e-02 -2.308682889e-02 5.98 -2.135031590e-02 -2.135031590e-02 6.00 -1.971393888e-02 -1.971393888e-02