# 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 = LiRb3 # 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 A15--Cr3Si D0_3--BiF3 L1_2--AuCu3 0.50 nan nan nan 0.52 nan nan nan 0.54 nan nan nan 0.56 nan nan nan 0.58 nan nan nan 0.60 nan nan nan 0.62 nan nan nan 0.64 nan nan nan 0.66 nan nan nan 0.68 nan nan nan 0.70 nan nan nan 0.72 nan nan nan 0.74 nan nan nan 0.76 nan nan nan 0.78 nan nan nan 0.80 nan nan nan 0.82 nan nan nan 0.84 nan nan nan 0.86 nan nan nan 0.88 nan nan nan 0.90 nan nan nan 0.92 nan nan nan 0.94 nan nan nan 0.96 nan nan nan 0.98 nan nan nan 1.00 nan nan nan 1.02 nan nan nan 1.04 nan nan nan 1.06 nan nan nan 1.08 nan nan nan 1.10 nan nan nan 1.12 nan nan nan 1.14 nan nan nan 1.16 1.343038705e+03 nan nan 1.18 1.258923782e+03 nan nan 1.20 1.180772337e+03 nan nan 1.22 1.108094700e+03 nan nan 1.24 1.040451668e+03 nan nan 1.26 9.774422384e+02 nan nan 1.28 9.187010141e+02 1.285641020e+03 nan 1.30 8.638947832e+02 1.211975961e+03 nan 1.32 8.127201272e+02 1.143080355e+03 1.275200961e+03 1.34 7.649000297e+02 1.078595090e+03 1.204270894e+03 1.36 7.201813745e+02 1.018192831e+03 1.137801098e+03 1.38 6.783342818e+02 9.615781349e+02 1.075467160e+03 1.40 6.391485275e+02 9.084752110e+02 1.016968117e+03 1.42 6.024310330e+02 8.586316724e+02 9.620293048e+02 1.44 5.680081652e+02 8.118202945e+02 9.104006965e+02 1.46 5.357171147e+02 7.678304808e+02 8.618515177e+02 1.48 5.054095554e+02 7.264652424e+02 8.161666793e+02 1.50 4.769498579e+02 6.875468844e+02 7.731547586e+02 1.52 4.502110482e+02 6.509086769e+02 7.326359493e+02 1.54 4.250768513e+02 6.164013455e+02 6.944434010e+02 1.56 4.014419017e+02 5.838841507e+02 6.584257104e+02 1.58 3.792064571e+02 5.532291878e+02 6.244440570e+02 1.60 3.582765455e+02 5.243163883e+02 5.923694937e+02 1.62 3.385676617e+02 4.970340826e+02 5.620808660e+02 1.64 3.200016548e+02 4.712783819e+02 5.334669002e+02 1.66 3.025051940e+02 4.469544040e+02 5.064251271e+02 1.68 2.860108319e+02 4.239730062e+02 4.808602833e+02 1.70 2.704562435e+02 4.022521779e+02 4.566807333e+02 1.72 2.557825199e+02 3.817137715e+02 4.338052144e+02 1.74 2.419356222e+02 3.622874060e+02 4.121536968e+02 1.76 2.288657315e+02 3.439052765e+02 3.916547715e+02 1.78 2.165262524e+02 3.265042221e+02 3.722410960e+02 1.80 2.048738551e+02 3.100271257e+02 3.538484469e+02 1.82 1.938685780e+02 2.944212638e+02 3.364185194e+02 1.84 1.834718916e+02 2.796359378e+02 3.198953759e+02 1.86 1.736481893e+02 2.656241334e+02 3.042264946e+02 1.88 1.643644416e+02 2.523422798e+02 2.893630679e+02 1.90 1.555907332e+02 2.397496579e+02 2.752607695e+02 1.92 1.472974535e+02 2.278078571e+02 2.618768241e+02 1.94 1.394567541e+02 2.164805651e+02 2.491717887e+02 1.96 1.320424401e+02 2.057345388e+02 2.371082196e+02 1.98 1.250298506e+02 1.955382556e+02 2.256507492e+02 2.00 1.183950596e+02 1.858631861e+02 2.147662173e+02 2.02 1.121159791e+02 1.766804074e+02 2.044233774e+02 2.04 1.061734995e+02 1.679637860e+02 1.945920251e+02 2.06 1.005480912e+02 1.596882743e+02 1.852455544e+02 2.08 9.522159207e+01 1.518299434e+02 1.763591159e+02 2.10 9.017681279e+01 1.443662007e+02 1.679082400e+02 2.12 8.539759731e+01 1.372755228e+02 1.598697281e+02 2.14 8.086884040e+01 1.305376103e+02 1.522218226e+02 2.16 7.657657267e+01 1.241329913e+02 1.449448187e+02 2.18 7.250734638e+01 1.180449884e+02 1.380196164e+02 2.20 6.864946785e+01 1.122568405e+02 1.314281303e+02 2.22 6.499113354e+01 1.067525561e+02 1.251530170e+02 2.24 6.152185313e+01 1.015167022e+02 1.191779204e+02 2.26 5.823146835e+01 9.653518774e+01 1.134881657e+02 2.28 5.511046608e+01 9.179553441e+01 1.080697206e+02 2.30 5.214992512e+01 8.728530401e+01 1.029088800e+02 2.32 4.934146749e+01 8.299277160e+01 9.799254900e+01 2.34 4.667721418e+01 7.890692710e+01 9.330815152e+01 2.36 4.414974499e+01 7.501741928e+01 8.884481877e+01 2.38 4.175192830e+01 7.131450423e+01 8.459153715e+01 2.40 3.947681189e+01 6.778899828e+01 8.053790718e+01 2.42 3.731884787e+01 6.443223552e+01 7.667410836e+01 2.44 3.527205961e+01 6.123602939e+01 7.299086621e+01 2.46 3.333054721e+01 5.819210468e+01 6.947882069e+01 2.48 3.148928132e+01 5.529381184e+01 6.613040601e+01 2.50 2.974256599e+01 5.253421054e+01 6.293783205e+01 2.52 2.808629123e+01 4.990667522e+01 5.989370786e+01 2.54 2.651598063e+01 4.740492757e+01 5.699034890e+01 2.56 2.502724730e+01 4.502301232e+01 5.422163039e+01 2.58 2.361593596e+01 4.275527494e+01 5.158163764e+01 2.60 2.227793729e+01 4.059573599e+01 4.906426175e+01 2.62 2.100960949e+01 3.853958702e+01 4.666384738e+01 2.64 1.980757968e+01 3.658249374e+01 4.437507479e+01 2.66 1.866846805e+01 3.471974474e+01 4.219280497e+01 2.68 1.758895393e+01 3.294655854e+01 4.011215753e+01 2.70 1.656588429e+01 3.125916317e+01 3.812849228e+01 2.72 1.559674653e+01 2.965345690e+01 3.623739269e+01 2.74 1.467878855e+01 2.812553354e+01 3.443465113e+01 2.76 1.380940706e+01 2.667167004e+01 3.271625567e+01 2.78 1.298613791e+01 2.528831565e+01 3.107790263e+01 2.80 1.220664681e+01 2.397208235e+01 2.951625817e+01 2.82 1.146872061e+01 2.271973648e+01 2.802818929e+01 2.84 1.077025898e+01 2.152812492e+01 2.661030688e+01 2.86 1.010926665e+01 2.039407398e+01 2.525937993e+01 2.88 9.483846078e+00 1.931517584e+01 2.397232585e+01 2.90 8.892190774e+00 1.828872052e+01 2.274620179e+01 2.92 8.332540748e+00 1.731193859e+01 2.157819667e+01 2.94 7.802909069e+00 1.638243546e+01 2.046562396e+01 2.96 7.302224534e+00 1.549809812e+01 1.940591525e+01 2.98 6.828964378e+00 1.465667914e+01 1.839661433e+01 3.00 6.381676422e+00 1.385604506e+01 1.743506170e+01 3.02 5.958975118e+00 1.309417099e+01 1.651910954e+01 3.04 5.559490386e+00 1.236913569e+01 1.564687025e+01 3.06 5.182006968e+00 1.167911689e+01 1.481635014e+01 3.08 4.825333726e+00 1.102238690e+01 1.402558471e+01 3.10 4.488320131e+00 1.039730842e+01 1.327267130e+01 3.12 4.169870275e+00 9.802330628e+00 1.255579654e+01 3.14 3.868792269e+00 9.235985358e+00 1.187323245e+01 3.16 3.584259738e+00 8.696883450e+00 1.122333292e+01 3.18 3.315356958e+00 8.183653280e+00 1.060453016e+01 3.20 3.061184744e+00 7.695054691e+00 1.001533147e+01 3.22 2.820894527e+00 7.230002500e+00 9.454315961e+00 3.24 2.593686997e+00 6.787381016e+00 8.920131447e+00 3.26 2.378810707e+00 6.366137363e+00 8.411491367e+00 3.28 2.175521409e+00 5.965277785e+00 7.927093413e+00 3.30 1.983079271e+00 5.583863972e+00 7.465614188e+00 3.32 1.801028447e+00 5.221009425e+00 7.026268877e+00 3.34 1.628783984e+00 4.875875880e+00 6.607985914e+00 3.36 1.465802009e+00 4.547561951e+00 6.209748551e+00 3.38 1.311577445e+00 4.235428760e+00 5.830591833e+00 3.40 1.165641671e+00 3.938782227e+00 5.469599744e+00 3.42 1.027560127e+00 3.656938205e+00 5.125902559e+00 3.44 8.969299013e-01 3.389245415e+00 4.798674375e+00 3.46 7.733773207e-01 3.135082616e+00 4.487130849e+00 3.48 6.565555731e-01 2.893856012e+00 4.190527120e+00 3.50 5.461137623e-01 2.664841286e+00 3.908155904e+00 3.52 4.417446329e-01 2.447469726e+00 3.639345750e+00 3.54 3.432177796e-01 2.241473403e+00 3.383459424e+00 3.56 2.502692710e-01 2.046333166e+00 3.139892416e+00 3.58 1.626517379e-01 1.861550497e+00 2.908071524e+00 3.60 8.013260037e-02 1.686646169e+00 2.687453517e+00 3.62 2.492452357e-03 1.521159161e+00 2.477523834e+00 3.64 -7.047639035e-02 1.364645786e+00 2.277795315e+00 3.66 -1.389711791e-01 1.216679025e+00 2.087806941e+00 3.68 -2.032816636e-01 1.076757533e+00 1.906918969e+00 3.70 -2.634740258e-01 9.445870935e-01 1.734945751e+00 3.72 -3.198081557e-01 8.197175477e-01 1.571519440e+00 3.74 -3.724099184e-01 7.018575118e-01 1.416261927e+00 3.76 -4.213529572e-01 5.906757689e-01 1.268816405e+00 3.78 -4.667995586e-01 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