# 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 = K2LiRb # 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 8.872033125e+02 8.872033125e+02 1.30 8.362659596e+02 8.362659596e+02 1.32 7.886250222e+02 7.886250222e+02 1.34 7.440355428e+02 7.440355428e+02 1.36 7.022729768e+02 7.022729768e+02 1.38 6.631290941e+02 6.631290941e+02 1.40 6.264154032e+02 6.264154032e+02 1.42 5.919558108e+02 5.919558108e+02 1.44 5.595934237e+02 5.595934237e+02 1.46 5.291800266e+02 5.291800266e+02 1.48 5.005828944e+02 5.005828944e+02 1.50 4.736751669e+02 4.736751669e+02 1.52 4.483462358e+02 4.483462358e+02 1.54 4.244901661e+02 4.244901661e+02 1.56 4.020104346e+02 4.020104346e+02 1.58 3.808169538e+02 3.808169538e+02 1.60 3.608254876e+02 3.608254876e+02 1.62 3.419591308e+02 3.419591308e+02 1.64 3.241454396e+02 3.241454396e+02 1.66 3.073204573e+02 3.073204573e+02 1.68 2.914227170e+02 2.914227170e+02 1.70 2.763947062e+02 2.763947062e+02 1.72 2.621828956e+02 2.621828956e+02 1.74 2.487385813e+02 2.487385813e+02 1.76 2.360146884e+02 2.360146884e+02 1.78 2.239706074e+02 2.239706074e+02 1.80 2.125672274e+02 2.125672274e+02 1.82 2.017676368e+02 2.017676368e+02 1.84 1.915374526e+02 1.915374526e+02 1.86 1.818441637e+02 1.818441637e+02 1.88 1.726585243e+02 1.726585243e+02 1.90 1.639525158e+02 1.639525158e+02 1.92 1.556991423e+02 1.556991423e+02 1.94 1.478727461e+02 1.478727461e+02 1.96 1.404513843e+02 1.404513843e+02 1.98 1.334133822e+02 1.334133822e+02 2.00 1.267374614e+02 1.267374614e+02 2.02 1.204033550e+02 1.204033550e+02 2.04 1.143921628e+02 1.143921628e+02 2.06 1.086858609e+02 1.086858609e+02 2.08 1.032680638e+02 1.032680638e+02 2.10 9.812276932e+01 9.812276932e+01 2.12 9.323419118e+01 9.323419118e+01 2.14 8.858901590e+01 8.858901590e+01 2.16 8.417383857e+01 8.417383857e+01 2.18 7.997634506e+01 7.997634506e+01 2.20 7.598447011e+01 7.598447011e+01 2.22 7.218789333e+01 7.218789333e+01 2.24 6.857640843e+01 6.857640843e+01 2.26 6.514025582e+01 6.514025582e+01 2.28 6.187054000e+01 6.187054000e+01 2.30 5.875883205e+01 5.875883205e+01 2.32 5.579722403e+01 5.579722403e+01 2.34 5.297830361e+01 5.297830361e+01 2.36 5.029511136e+01 5.029511136e+01 2.38 4.774110117e+01 4.774110117e+01 2.40 4.530997772e+01 4.530997772e+01 2.42 4.299566947e+01 4.299566947e+01 2.44 4.079321425e+01 4.079321425e+01 2.46 3.869733898e+01 3.869733898e+01 2.48 3.670304593e+01 3.670304593e+01 2.50 3.480544348e+01 3.480544348e+01 2.52 3.299998829e+01 3.299998829e+01 2.54 3.128265618e+01 3.128265618e+01 2.56 2.964930982e+01 2.964930982e+01 2.58 2.809600049e+01 2.809600049e+01 2.60 2.661857826e+01 2.661857826e+01 2.62 2.521323056e+01 2.521323056e+01 2.64 2.387726209e+01 2.387726209e+01 2.66 2.260744038e+01 2.260744038e+01 2.68 2.140053183e+01 2.140053183e+01 2.70 2.025345094e+01 2.025345094e+01 2.72 1.916325259e+01 1.916325259e+01 2.74 1.812695628e+01 1.812695628e+01 2.76 1.714192969e+01 1.714192969e+01 2.78 1.620582130e+01 1.620582130e+01 2.80 1.531616729e+01 1.531616729e+01 2.82 1.447062306e+01 1.447062306e+01 2.84 1.366695850e+01 1.366695850e+01 2.86 1.290297790e+01 1.290297790e+01 2.88 1.217648885e+01 1.217648885e+01 2.90 1.148593178e+01 1.148593178e+01 2.92 1.082946869e+01 1.082946869e+01 2.94 1.020536050e+01 1.020536050e+01 2.96 9.611962413e+00 9.611962413e+00 2.98 9.047719417e+00 9.047719417e+00 3.00 8.511161925e+00 8.511161925e+00 3.02 8.000901558e+00 8.000901558e+00 3.04 7.515627054e+00 7.515627054e+00 3.06 7.054071381e+00 7.054071381e+00 3.08 6.615054497e+00 6.615054497e+00 3.10 6.197532792e+00 6.197532792e+00 3.12 5.800460849e+00 5.800460849e+00 3.14 5.422852574e+00 5.422852574e+00 3.16 5.063777672e+00 5.063777672e+00 3.18 4.722338935e+00 4.722338935e+00 3.20 4.397708079e+00 4.397708079e+00 3.22 4.089131545e+00 4.089131545e+00 3.24 3.795866741e+00 3.795866741e+00 3.26 3.517211336e+00 3.517211336e+00 3.28 3.252500342e+00 3.252500342e+00 3.30 3.001103337e+00 3.001103337e+00 3.32 2.762421829e+00 2.762421829e+00 3.34 2.535886788e+00 2.535886788e+00 3.36 2.320848502e+00 2.320848502e+00 3.38 2.116903463e+00 2.116903463e+00 3.40 1.923577999e+00 1.923577999e+00 3.42 1.740395582e+00 1.740395582e+00 3.44 1.566561344e+00 1.566561344e+00 3.46 1.402042818e+00 1.402042818e+00 3.48 1.246417298e+00 1.246417298e+00 3.50 1.099269606e+00 1.099269606e+00 3.52 9.602023126e-01 9.602023126e-01 3.54 8.287666963e-01 8.287666963e-01 3.56 7.046595010e-01 7.046595010e-01 3.58 5.875559835e-01 5.875559835e-01 3.60 4.771172976e-01 4.771172976e-01 3.62 3.730192538e-01 3.730192538e-01 3.64 2.749518381e-01 2.749518381e-01 3.66 1.826188059e-01 1.826188059e-01 3.68 9.573732954e-02 9.573732954e-02 3.70 1.403768310e-02 1.403768310e-02 3.72 -6.281764258e-02 -6.281764258e-02 3.74 -1.349963275e-01 -1.349963275e-01 3.76 -2.028032089e-01 -2.028032089e-01 3.78 -2.665307439e-01 -2.665307439e-01 3.80 -3.261667672e-01 -3.261667672e-01 3.82 -3.819218495e-01 -3.819218495e-01 3.84 -4.339936648e-01 -4.339936648e-01 3.86 -4.825676599e-01 -4.825676599e-01 3.88 -5.278177341e-01 -5.278177341e-01 3.90 -5.699069218e-01 -5.699069218e-01 3.92 -6.089880758e-01 -6.089880758e-01 3.94 -6.452045440e-01 -6.452045440e-01 3.96 -6.786908366e-01 -6.786908366e-01 3.98 -7.095732776e-01 -7.095732776e-01 4.00 -7.379706374e-01 -7.379706374e-01 4.02 -7.639947412e-01 -7.639947412e-01 4.04 -7.877510521e-01 -7.877510521e-01 4.06 -8.093392225e-01 -8.093392225e-01 4.08 -8.288536150e-01 -8.288536150e-01 4.10 -8.463837886e-01 -8.463837886e-01 4.12 -8.620149498e-01 -8.620149498e-01 4.14 -8.758283688e-01 -8.758283688e-01 4.16 -8.879017590e-01 -8.879017590e-01 4.18 -8.983096218e-01 -8.983096218e-01 4.20 -9.071235574e-01 -9.071235574e-01 4.22 -9.144125414e-01 -9.144125414e-01 4.24 -9.202431707e-01 -9.202431707e-01 4.26 -9.246798796e-01 -9.246798796e-01 4.28 -9.277851277e-01 -9.277851277e-01 4.30 -9.296195628e-01 -9.296195628e-01 4.32 -9.302556544e-01 -9.302556544e-01 4.34 -9.298347434e-01 -9.298347434e-01 4.36 -9.282933107e-01 -9.282933107e-01 4.38 -9.256894100e-01 -9.256894100e-01 4.40 -9.220793393e-01 -9.220793393e-01 4.42 -9.175177271e-01 -9.175177271e-01 4.44 -9.120576214e-01 -9.120576214e-01 4.46 -9.057505654e-01 -9.057505654e-01 4.48 -8.986466622e-01 -8.986466622e-01 4.50 -8.908418550e-01 -8.908418550e-01 4.52 -8.823435628e-01 -8.823435628e-01 4.54 -8.731793919e-01 -8.731793919e-01 4.56 -8.633959420e-01 -8.633959420e-01 4.58 -8.530383107e-01 -8.530383107e-01 4.60 -8.421501372e-01 -8.421501372e-01 4.62 -8.307736388e-01 -8.307736388e-01 4.64 -8.189496430e-01 -8.189496430e-01 4.66 -8.067176129e-01 -8.067176129e-01 4.68 -7.941156691e-01 -7.941156691e-01 4.70 -7.811806066e-01 -7.811806066e-01 4.72 -7.679479091e-01 -7.679479091e-01 4.74 -7.544517596e-01 -7.544517596e-01 4.76 -7.407250488e-01 -7.407250488e-01 4.78 -7.267993826e-01 -7.267993826e-01 4.80 -7.127050870e-01 -7.127050870e-01 4.82 -6.984712131e-01 -6.984712131e-01 4.84 -6.841255426e-01 -6.841255426e-01 4.86 -6.696945919e-01 -6.696945919e-01 4.88 -6.552036185e-01 -6.552036185e-01 4.90 -6.406766278e-01 -6.406766278e-01 4.92 -6.261363814e-01 -6.261363814e-01 4.94 -6.116044076e-01 -6.116044076e-01 4.96 -5.971010134e-01 -5.971010134e-01 4.98 -5.826452993e-01 -5.826452993e-01 5.00 -5.682551766e-01 -5.682551766e-01 5.02 -5.539473862e-01 -5.539473862e-01 5.04 -5.397375218e-01 -5.397375218e-01 5.06 -5.256400542e-01 -5.256400542e-01 5.08 -5.116683593e-01 -5.116683593e-01 5.10 -4.978347480e-01 -4.978347480e-01 5.12 -4.841504987e-01 -4.841504987e-01 5.14 -4.706258927e-01 -4.706258927e-01 5.16 -4.572702510e-01 -4.572702510e-01 5.18 -4.440919733e-01 -4.440919733e-01 5.20 -4.310985792e-01 -4.310985792e-01 5.22 -4.182967500e-01 -4.182967500e-01 5.24 -4.056923721e-01 -4.056923721e-01 5.26 -3.932905816e-01 -3.932905816e-01 5.28 -3.810958092e-01 -3.810958092e-01 5.30 -3.691118250e-01 -3.691118250e-01 5.32 -3.573417842e-01 -3.573417842e-01 5.34 -3.457882717e-01 -3.457882717e-01 5.36 -3.344533462e-01 -3.344533462e-01 5.38 -3.233385842e-01 -3.233385842e-01 5.40 -3.124451218e-01 -3.124451218e-01 5.42 -3.017736958e-01 -3.017736958e-01 5.44 -2.913246828e-01 -2.913246828e-01 5.46 -2.810981370e-01 -2.810981370e-01 5.48 -2.710938253e-01 -2.710938253e-01 5.50 -2.613112608e-01 -2.613112608e-01 5.52 -2.517497337e-01 -2.517497337e-01 5.54 -2.424083401e-01 -2.424083401e-01 5.56 -2.332860081e-01 -2.332860081e-01 5.58 -2.243815213e-01 -2.243815213e-01 5.60 -2.156935401e-01 -2.156935401e-01 5.62 -2.072206204e-01 -2.072206204e-01 5.64 -1.989612295e-01 -1.989612295e-01 5.66 -1.909137602e-01 -1.909137602e-01 5.68 -1.830765418e-01 -1.830765418e-01 5.70 -1.754478495e-01 -1.754478495e-01 5.72 -1.680259114e-01 -1.680259114e-01 5.74 -1.608089135e-01 -1.608089135e-01 5.76 -1.537950031e-01 -1.537950031e-01 5.78 -1.469822903e-01 -1.469822903e-01 5.80 -1.403958904e-01 -1.403958904e-01 5.82 -1.340343800e-01 -1.340343800e-01 5.84 -1.278603346e-01 -1.278603346e-01 5.86 -1.218725892e-01 -1.218725892e-01 5.88 -1.160698471e-01 -1.160698471e-01 5.90 -1.104506819e-01 -1.104506819e-01 5.92 -1.050135380e-01 -1.050135380e-01 5.94 -9.975673119e-02 -9.975673119e-02 5.96 -9.467844929e-02 -9.467844929e-02 5.98 -8.977675181e-02 -8.977675181e-02 6.00 -8.504957038e-02 -8.504957038e-02