# 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 = Id2LiNa # 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 nan nan 1.32 3.524700767e+06 3.524700767e+06 1.34 2.712726685e+06 2.712726685e+06 1.36 2.095770594e+06 2.095770594e+06 1.38 1.625117524e+06 1.625117524e+06 1.40 1.264679909e+06 1.264679909e+06 1.42 9.876083275e+05 9.876083275e+05 1.44 7.738421152e+05 7.738421152e+05 1.46 6.083317628e+05 6.083317628e+05 1.48 4.797421724e+05 4.797421724e+05 1.50 3.795025480e+05 3.795025480e+05 1.52 3.011082245e+05 3.011082245e+05 1.54 2.396044555e+05 2.396044555e+05 1.56 1.912034706e+05 1.912034706e+05 1.58 1.529998133e+05 1.529998133e+05 1.60 1.227573247e+05 1.227573247e+05 1.62 9.874914771e+04 9.874914771e+04 1.64 7.963754240e+04 7.963754240e+04 1.66 6.438297005e+04 6.438297005e+04 1.68 5.217524394e+04 5.217524394e+04 1.70 4.238091404e+04 4.238091404e+04 1.72 3.450339309e+04 3.450339309e+04 1.74 2.815224087e+04 2.815224087e+04 1.76 2.301965979e+04 2.301965979e+04 1.78 1.886233487e+04 1.886233487e+04 1.80 1.548742635e+04 1.548742635e+04 1.82 1.274171075e+04 1.274171075e+04 1.84 1.050313941e+04 1.050313941e+04 1.86 8.674239845e+03 8.674239845e+03 1.88 7.177027611e+03 7.177027611e+03 1.90 5.948939029e+03 5.948939029e+03 1.92 4.939662356e+03 4.939662356e+03 1.94 4.108653716e+03 4.108653716e+03 1.96 3.423171348e+03 3.423171348e+03 1.98 2.856723231e+03 2.856723231e+03 2.00 2.387811785e+03 2.387811785e+03 2.02 1.998984418e+03 1.998984418e+03 2.04 1.676028938e+03 1.676028938e+03 2.06 1.407349413e+03 1.407349413e+03 2.08 1.183468520e+03 1.183468520e+03 2.10 9.966266657e+02 9.966266657e+02 2.12 8.404588413e+02 8.404588413e+02 2.14 7.097340073e+02 7.097340073e+02 2.16 6.001471135e+02 6.001471135e+02 2.18 5.081467048e+02 5.081467048e+02 2.20 4.308046447e+02 4.308046447e+02 2.22 3.656953472e+02 3.656953472e+02 2.24 3.108089522e+02 3.108089522e+02 2.26 2.644786202e+02 2.644786202e+02 2.28 2.253193995e+02 2.253193995e+02 2.30 1.921779150e+02 1.921779150e+02 2.32 1.640933749e+02 1.640933749e+02 2.34 1.402634833e+02 1.402634833e+02 2.36 1.200178778e+02 1.200178778e+02 2.38 1.027952299e+02 1.027952299e+02 2.40 8.812448935e+01 8.812448935e+01 2.42 7.561044764e+01 7.561044764e+01 2.44 6.492388953e+01 6.492388953e+01 2.46 5.578658436e+01 5.578658436e+01 2.48 4.796390643e+01 4.796390643e+01 2.50 4.125808603e+01 4.125808603e+01 2.52 3.550209693e+01 3.550209693e+01 2.54 3.055471932e+01 3.055471932e+01 2.56 2.629656853e+01 2.629656853e+01 2.58 2.262721833e+01 2.262721833e+01 2.60 1.946048410e+01 1.946048410e+01 2.62 1.672401393e+01 1.672401393e+01 2.64 1.435649097e+01 1.435649097e+01 2.66 1.230547720e+01 1.230547720e+01 2.68 1.052641678e+01 1.052641678e+01 2.70 8.981271657e+00 8.981271657e+00 2.72 7.637602453e+00 7.637602453e+00 2.74 6.467007303e+00 6.467007303e+00 2.76 5.446360687e+00 5.446360687e+00 2.78 4.555723204e+00 4.555723204e+00 2.80 3.777699166e+00 3.777699166e+00 2.82 3.097368315e+00 3.097368315e+00 2.84 2.501804227e+00 2.501804227e+00 2.86 1.979562479e+00 1.979562479e+00 2.88 1.521948090e+00 1.521948090e+00 2.90 1.120640721e+00 1.120640721e+00 2.92 7.684884896e-01 7.684884896e-01 2.94 4.585533665e-01 4.585533665e-01 2.96 1.863718820e-01 1.863718820e-01 2.98 -5.259295538e-02 -5.259295538e-02 3.00 -2.623865868e-01 -2.623865868e-01 3.02 -4.465299099e-01 -4.465299099e-01 3.04 -6.080920023e-01 -6.080920023e-01 3.06 -7.497517236e-01 -7.497517236e-01 3.08 -8.738489857e-01 -8.738489857e-01 3.10 -9.824337246e-01 -9.824337246e-01 3.12 -1.077298621e+00 -1.077298621e+00 3.14 -1.160084425e+00 -1.160084425e+00 3.16 -1.232096374e+00 -1.232096374e+00 3.18 -1.294587459e+00 -1.294587459e+00 3.20 -1.348608698e+00 -1.348608698e+00 3.22 -1.394972865e+00 -1.394972865e+00 3.24 -1.434494267e+00 -1.434494267e+00 3.26 -1.468025268e+00 -1.468025268e+00 3.28 -1.496126925e+00 -1.496126925e+00 3.30 -1.519206187e+00 -1.519206187e+00 3.32 -1.537731398e+00 -1.537731398e+00 3.34 -1.552144276e+00 -1.552144276e+00 3.36 -1.562792626e+00 -1.562792626e+00 3.38 -1.569940904e+00 -1.569940904e+00 3.40 -1.573861025e+00 -1.573861025e+00 3.42 -1.574792586e+00 -1.574792586e+00 3.44 -1.572948547e+00 -1.572948547e+00 3.46 -1.568520543e+00 -1.568520543e+00 3.48 -1.561723823e+00 -1.561723823e+00 3.50 -1.552694395e+00 -1.552694395e+00 3.52 -1.541554788e+00 -1.541554788e+00 3.54 -1.528451553e+00 -1.528451553e+00 3.56 -1.513524164e+00 -1.513524164e+00 3.58 -1.496907453e+00 -1.496907453e+00 3.60 -1.478733803e+00 -1.478733803e+00 3.62 -1.459133959e+00 -1.459133959e+00 3.64 -1.438235990e+00 -1.438235990e+00 3.66 -1.416170689e+00 -1.416170689e+00 3.68 -1.393231492e+00 -1.393231492e+00 3.70 -1.369357284e+00 -1.369357284e+00 3.72 -1.344736325e+00 -1.344736325e+00 3.74 -1.319422647e+00 -1.319422647e+00 3.76 -1.293521505e+00 -1.293521505e+00 3.78 -1.267156705e+00 -1.267156705e+00 3.80 -1.240446059e+00 -1.240446059e+00 3.82 -1.213500862e+00 -1.213500862e+00 3.84 -1.186425412e+00 -1.186425412e+00 3.86 -1.159316570e+00 -1.159316570e+00 3.88 -1.132263397e+00 -1.132263397e+00 3.90 -1.105346882e+00 -1.105346882e+00 3.92 -1.078639777e+00 -1.078639777e+00 3.94 -1.052206533e+00 -1.052206533e+00 3.96 -1.026114682e+00 -1.026114682e+00 3.98 -1.000447492e+00 -1.000447492e+00 4.00 -9.751873185e-01 -9.751873185e-01 4.02 -9.503689024e-01 -9.503689024e-01 4.04 -9.260197782e-01 -9.260197782e-01 4.06 -9.021596424e-01 -9.021596424e-01 4.08 -8.788041266e-01 -8.788041266e-01 4.10 -8.559633225e-01 -8.559633225e-01 4.12 -8.336419026e-01 -8.336419026e-01 4.14 -8.118404692e-01 -8.118404692e-01 4.16 -7.905562022e-01 -7.905562022e-01 4.18 -7.697834797e-01 -7.697834797e-01 4.20 -7.495144587e-01 -7.495144587e-01 4.22 -7.297396066e-01 -7.297396066e-01 4.24 -7.104481768e-01 -7.104481768e-01 4.26 -6.916286233e-01 -6.916286233e-01 4.28 -6.732854024e-01 -6.732854024e-01 4.30 -6.554036399e-01 -6.554036399e-01 4.32 -6.379529449e-01 -6.379529449e-01 4.34 -6.209217028e-01 -6.209217028e-01 4.36 -6.042990797e-01 -6.042990797e-01 4.38 -5.880745246e-01 -5.880745246e-01 4.40 -5.722377861e-01 -5.722377861e-01 4.42 -5.567790217e-01 -5.567790217e-01 4.44 -5.416887695e-01 -5.416887695e-01 4.46 -5.269578978e-01 -5.269578978e-01 4.48 -5.125775425e-01 -5.125775425e-01 4.50 -4.987124443e-01 -4.987124443e-01 4.52 -4.852043521e-01 -4.852043521e-01 4.54 -4.719775398e-01 -4.719775398e-01 4.56 -4.590305809e-01 -4.590305809e-01 4.58 -4.463690828e-01 -4.463690828e-01 4.60 -4.339817557e-01 -4.339817557e-01 4.62 -4.218642078e-01 -4.218642078e-01 4.64 -4.100113526e-01 -4.100113526e-01 4.66 -3.984172638e-01 -3.984172638e-01 4.68 -3.870752779e-01 -3.870752779e-01 4.70 -3.759780991e-01 -3.759780991e-01 4.72 -3.651179086e-01 -3.651179086e-01 4.74 -3.544864742e-01 -3.544864742e-01 4.76 -3.440752611e-01 -3.440752611e-01 4.78 -3.338755432e-01 -3.338755432e-01 4.80 -3.238785128e-01 -3.238785128e-01 4.82 -3.140753877e-01 -3.140753877e-01 4.84 -3.044575161e-01 -3.044575161e-01 4.86 -2.950164765e-01 -2.950164765e-01 4.88 -2.857441728e-01 -2.857441728e-01 4.90 -2.766329230e-01 -2.766329230e-01 4.92 -2.676755403e-01 -2.676755403e-01 4.94 -2.588654070e-01 -2.588654070e-01 4.96 -2.501963222e-01 -2.501963222e-01 4.98 -2.416622801e-01 -2.416622801e-01 5.00 -2.332597850e-01 -2.332597850e-01 5.02 -2.249850291e-01 -2.249850291e-01 5.04 -2.168349958e-01 -2.168349958e-01 5.06 -2.088074715e-01 -2.088074715e-01 5.08 -2.009010464e-01 -2.009010464e-01 5.10 -1.931151041e-01 -1.931151041e-01 5.12 -1.854497998e-01 -1.854497998e-01 5.14 -1.779060291e-01 -1.779060291e-01 5.16 -1.704853855e-01 -1.704853855e-01 5.18 -1.631901105e-01 -1.631901105e-01 5.20 -1.560230335e-01 -1.560230335e-01 5.22 -1.489875057e-01 -1.489875057e-01 5.24 -1.420877652e-01 -1.420877652e-01 5.26 -1.353362078e-01 -1.353362078e-01 5.28 -1.287270448e-01 -1.287270448e-01 5.30 -1.222652013e-01 -1.222652013e-01 5.32 -1.159556383e-01 -1.159556383e-01 5.34 -1.098033274e-01 -1.098033274e-01 5.36 -1.038131685e-01 -1.038131685e-01 5.38 -9.798990858e-02 -9.798990858e-02 5.40 -9.233806536e-02 -9.233806536e-02 5.42 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-1.012306352e-02 5.94 -8.989807804e-03 -8.989807804e-03 5.96 -7.955330231e-03 -7.955330231e-03 5.98 -7.013560739e-03 -7.013560739e-03 6.00 -6.158518328e-03 -6.158518328e-03