# 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 = Cs3Li # 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 4.980047620e+03 nan nan 1.14 4.614773607e+03 nan nan 1.16 4.278556466e+03 nan nan 1.18 3.968822466e+03 nan nan 1.20 3.683256161e+03 5.367398774e+03 nan 1.22 3.419771763e+03 5.001884846e+03 nan 1.24 3.176483857e+03 4.663426211e+03 nan 1.26 2.951690721e+03 4.349785343e+03 4.935263210e+03 1.28 2.743850324e+03 4.058936774e+03 4.611080883e+03 1.30 2.551562933e+03 3.789040760e+03 4.309952364e+03 1.32 2.373559111e+03 3.538426242e+03 4.030053184e+03 1.34 2.208683117e+03 3.305573695e+03 3.769722281e+03 1.36 2.055882123e+03 3.089097680e+03 3.527443600e+03 1.38 1.914198205e+03 2.887732899e+03 3.301834990e+03 1.40 1.782757014e+03 2.700322117e+03 3.091632991e+03 1.42 1.660758841e+03 2.525807086e+03 2.895679591e+03 1.44 1.547475343e+03 2.363220942e+03 2.712915115e+03 1.46 1.442238500e+03 2.211674492e+03 2.542369120e+03 1.48 1.344436516e+03 2.070353137e+03 2.383150058e+03 1.50 1.253507986e+03 1.938507841e+03 2.234438337e+03 1.52 1.168939983e+03 1.815451243e+03 2.095481230e+03 1.54 1.090260615e+03 1.700552066e+03 1.965586329e+03 1.56 1.017036360e+03 1.593229156e+03 1.844116035e+03 1.58 9.488678420e+02 1.492946753e+03 1.730481776e+03 1.60 8.853873744e+02 1.399211494e+03 1.624140424e+03 1.62 8.262573284e+02 1.311567778e+03 1.524590937e+03 1.64 7.711652558e+02 1.229595080e+03 1.431370144e+03 1.66 7.198225439e+02 1.152905089e+03 1.344049363e+03 1.68 6.719625384e+02 1.081138121e+03 1.262231273e+03 1.70 6.273383002e+02 1.013961337e+03 1.185547733e+03 1.72 5.857216861e+02 9.510653788e+02 1.113656505e+03 1.74 5.469023792e+02 8.921636334e+02 1.046241609e+03 1.76 5.106846310e+02 8.369899937e+02 9.830090582e+02 1.78 4.768874000e+02 7.852968981e+02 9.236862211e+02 1.80 4.453428444e+02 7.368543351e+02 8.680190076e+02 1.82 4.158953006e+02 6.914480512e+02 8.157706893e+02 1.84 3.884002064e+02 6.488801804e+02 7.667217221e+02 1.86 3.627240815e+02 6.089657857e+02 7.206670995e+02 1.88 3.387437021e+02 5.715326567e+02 6.774159347e+02 1.90 3.163439369e+02 5.364203916e+02 6.367903911e+02 1.92 2.954179804e+02 5.034793958e+02 5.986246709e+02 1.94 2.758667111e+02 4.725704202e+02 5.627639660e+02 1.96 2.575980895e+02 4.435637377e+02 5.290641049e+02 1.98 2.405266027e+02 4.163382727e+02 4.973901371e+02 2.00 2.245727513e+02 3.907811098e+02 4.676161688e+02 2.02 2.096625760e+02 3.667869161e+02 4.396249406e+02 2.04 1.957268272e+02 3.442574092e+02 4.133066151e+02 2.06 1.827018667e+02 3.231006052e+02 3.885582745e+02 2.08 1.705279341e+02 3.032310966e+02 3.652842263e+02 2.10 1.591490707e+02 2.845688778e+02 3.433946764e+02 2.12 1.485133532e+02 2.670396281e+02 3.228060440e+02 2.14 1.385721186e+02 2.505735195e+02 3.034396469e+02 2.16 1.292798053e+02 2.351050660e+02 2.852217263e+02 2.18 1.205941792e+02 2.205736890e+02 2.680833224e+02 2.20 1.124755970e+02 2.069223386e+02 2.519596814e+02 2.22 1.048869313e+02 1.940974210e+02 2.367900119e+02 2.24 9.779371218e+01 1.820491531e+02 2.225173706e+02 2.26 9.116370017e+01 1.707307734e+02 2.090882799e+02 2.28 8.496673063e+01 1.600983142e+02 1.964525037e+02 2.30 7.917410745e+01 1.501105284e+02 1.845628740e+02 2.32 7.376030482e+01 1.407286957e+02 1.733750993e+02 2.34 6.870080949e+01 1.319164463e+02 1.628470880e+02 2.36 6.397269368e+01 1.236396005e+02 1.529403724e+02 2.38 5.955456663e+01 1.158660235e+02 1.436179908e+02 2.40 5.542646299e+01 1.085652137e+02 1.348459340e+02 2.42 5.156973816e+01 1.017090797e+02 1.265917570e+02 2.44 4.796697045e+01 9.527072785e+01 1.188249986e+02 2.46 4.460187023e+01 8.922491750e+01 1.115170519e+02 2.48 4.145919605e+01 8.354822097e+01 1.046409885e+02 2.50 3.852467748e+01 7.821814227e+01 9.817157991e+01 2.52 3.578494471e+01 7.321389219e+01 9.208513261e+01 2.54 3.322746451e+01 6.851567359e+01 8.635931150e+01 2.56 3.084048226e+01 6.410487202e+01 8.097304962e+01 2.58 2.861296965e+01 5.996399085e+01 7.590661787e+01 2.60 2.653457752e+01 5.607658820e+01 7.114143736e+01 2.62 2.459559336e+01 5.242721533e+01 6.665996918e+01 2.64 2.278690298e+01 4.900130502e+01 6.244569421e+01 2.66 2.109995573e+01 4.578532299e+01 5.848304954e+01 2.68 1.952665530e+01 4.276648747e+01 5.475736955e+01 2.70 1.805935846e+01 3.993280931e+01 5.125483129e+01 2.72 1.669129910e+01 3.727299237e+01 4.796240371e+01 2.74 1.541589516e+01 3.477656492e+01 4.486780058e+01 2.76 1.422696157e+01 3.243365387e+01 4.195928415e+01 2.78 1.311872202e+01 3.023499740e+01 3.922603281e+01 2.80 1.208574793e+01 2.817191638e+01 3.665778239e+01 2.82 1.112302170e+01 2.623627641e+01 3.424481938e+01 2.84 1.022591170e+01 2.442045136e+01 3.197807580e+01 2.86 9.390047042e+00 2.271728877e+01 2.984888901e+01 2.88 8.611359902e+00 2.112007693e+01 2.784909764e+01 2.90 7.886065642e+00 1.962251407e+01 2.597101365e+01 2.92 7.210643623e+00 1.821867935e+01 2.420739655e+01 2.94 6.581818775e+00 1.690300604e+01 2.255142925e+01 2.96 5.996543975e+00 1.567025673e+01 2.099669550e+01 2.98 5.451983256e+00 1.451550054e+01 1.953715863e+01 3.00 4.945495916e+00 1.343409241e+01 1.816714149e+01 3.02 4.474621562e+00 1.242165423e+01 1.688130731e+01 3.04 4.037018388e+00 1.147405786e+01 1.567454585e+01 3.06 3.630592425e+00 1.058740973e+01 1.454224037e+01 3.08 3.253357254e+00 9.758007925e+00 1.347999392e+01 3.10 2.903441495e+00 8.982378748e+00 1.248364998e+01 3.12 2.579094418e+00 8.257312079e+00 1.154930776e+01 3.14 2.278624405e+00 7.579675829e+00 1.067320196e+01 3.16 2.000562440e+00 6.946621966e+00 9.852031346e+00 3.18 1.743466779e+00 6.355410580e+00 9.082568582e+00 3.20 1.505982325e+00 5.803460268e+00 8.361778601e+00 3.22 1.286837650e+00 5.288222003e+00 7.686811548e+00 3.24 1.084839356e+00 4.807469616e+00 7.054989844e+00 3.26 8.988669866e-01 4.359173017e+00 6.463796029e+00 3.28 7.278684372e-01 3.941172279e+00 5.910861383e+00 3.30 5.708557802e-01 3.551749466e+00 5.393955358e+00 3.32 4.269014582e-01 3.189114418e+00 4.910975808e+00 3.34 2.951070106e-01 2.851590943e+00 4.459940019e+00 3.36 1.745813286e-01 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