# 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 = Cl3F # 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 5.511821786e+02 nan nan 1.12 5.167392959e+02 nan nan 1.14 4.847905582e+02 nan nan 1.16 4.551296728e+02 nan nan 1.18 4.275676548e+02 nan nan 1.20 4.019389829e+02 5.511412355e+02 nan 1.22 3.780764858e+02 5.194647713e+02 nan 1.24 3.558281754e+02 4.899099343e+02 nan 1.26 3.350588680e+02 4.623019092e+02 5.123742737e+02 1.28 3.156481538e+02 4.364965080e+02 4.841071991e+02 1.30 2.974972774e+02 4.123598607e+02 4.576553693e+02 1.32 2.805035546e+02 3.897537878e+02 4.328714405e+02 1.34 2.645874785e+02 3.685528521e+02 4.096245936e+02 1.36 2.496683799e+02 3.486514242e+02 3.878031702e+02 1.38 2.356802862e+02 3.299578775e+02 3.672961215e+02 1.40 2.225645426e+02 3.123759991e+02 3.480104447e+02 1.42 2.102588628e+02 2.958365863e+02 3.298616412e+02 1.44 1.987004460e+02 2.802678647e+02 3.127746147e+02 1.46 1.878425518e+02 2.656150109e+02 2.966744813e+02 1.48 1.776360041e+02 2.518199095e+02 2.815036983e+02 1.50 1.680328209e+02 2.388217804e+02 2.672029079e+02 1.52 1.589907717e+02 2.265781541e+02 2.537106741e+02 1.54 1.504694244e+02 2.150302197e+02 2.409762283e+02 1.56 1.424341310e+02 2.041436721e+02 2.289510926e+02 1.58 1.348492707e+02 1.938711580e+02 2.175903258e+02 1.60 1.276840878e+02 1.841646585e+02 2.068488998e+02 1.62 1.209111121e+02 1.749859607e+02 1.966852727e+02 1.64 1.145080154e+02 1.663006197e+02 1.870627189e+02 1.66 1.084528834e+02 1.580708507e+02 1.779480394e+02 1.68 1.027238155e+02 1.502678471e+02 1.693120663e+02 1.70 9.730544235e+01 1.428661660e+02 1.611248599e+02 1.72 9.218325921e+01 1.358405639e+02 1.533583543e+02 1.74 8.734019494e+01 1.291682162e+02 1.459928219e+02 1.76 8.276316753e+01 1.228316771e+02 1.390015183e+02 1.78 7.843939627e+01 1.168157208e+02 1.323678190e+02 1.80 7.435254851e+01 1.111042520e+02 1.260721366e+02 1.82 7.049179083e+01 1.056796869e+02 1.200950842e+02 1.84 6.684470857e+01 1.005318877e+02 1.144129549e+02 1.86 6.339953461e+01 9.564615721e+01 1.090164370e+02 1.88 6.014269117e+01 9.101304581e+01 1.038893994e+02 1.90 5.706086279e+01 8.661892462e+01 9.901540506e+01 1.92 5.414364752e+01 8.244987960e+01 9.437788739e+01 1.94 5.138029122e+01 7.849278363e+01 8.996894548e+01 1.96 4.875890337e+01 7.473962776e+01 8.577581182e+01 1.98 4.627174355e+01 7.117884554e+01 8.178672895e+01 2.00 4.390943882e+01 6.779881324e+01 7.798891817e+01 2.02 4.166353039e+01 6.458793460e+01 7.437465637e+01 2.04 3.952642321e+01 6.153624507e+01 7.093397556e+01 2.06 3.749133529e+01 5.863505036e+01 6.765735668e+01 2.08 3.555183563e+01 5.587515930e+01 6.453529026e+01 2.10 3.370296715e+01 5.324762062e+01 6.155709109e+01 2.12 3.194031164e+01 5.074358871e+01 5.871680962e+01 2.14 3.025823594e+01 4.835691062e+01 5.600820918e+01 2.16 2.865378475e+01 4.608070817e+01 5.342367941e+01 2.18 2.712552534e+01 4.390831743e+01 5.095618588e+01 2.20 2.566964940e+01 4.183212279e+01 4.859779720e+01 2.22 2.428369909e+01 3.984718153e+01 4.634364180e+01 2.24 2.296560715e+01 3.794941168e+01 4.418983145e+01 2.26 2.171273683e+01 3.613374774e+01 4.213133422e+01 2.28 2.052252561e+01 3.439567108e+01 4.016363699e+01 2.30 1.939242351e+01 3.273117972e+01 3.828265391e+01 2.32 1.831985586e+01 3.113675145e+01 3.648463678e+01 2.34 1.730066374e+01 2.960705689e+01 3.476553254e+01 2.36 1.633289810e+01 2.814219928e+01 3.312273614e+01 2.38 1.541561018e+01 2.673991145e+01 3.155271107e+01 2.40 1.454576454e+01 2.539788105e+01 3.005100153e+01 2.42 1.371925893e+01 2.411407004e+01 2.861697250e+01 2.44 1.293545707e+01 2.288637775e+01 2.724744886e+01 2.46 1.219170507e+01 2.171265154e+01 2.593932784e+01 2.48 1.148556941e+01 2.059236704e+01 2.468965617e+01 2.50 1.081484043e+01 1.952383122e+01 2.349293309e+01 2.52 1.017753036e+01 1.850453980e+01 2.234983056e+01 2.54 9.571865956e+00 1.753424282e+01 2.125803952e+01 2.56 8.996275876e+00 1.661001031e+01 2.021492182e+01 2.58 8.449373368e+00 1.573162110e+01 1.921806049e+01 2.60 7.929935124e+00 1.489767325e+01 1.826524651e+01 2.62 7.436877242e+00 1.410549601e+01 1.735446301e+01 2.64 6.969229420e+00 1.335378885e+01 1.648386701e+01 2.66 6.526108529e+00 1.264166826e+01 1.565176963e+01 2.68 6.106692673e+00 1.196725137e+01 1.485661525e+01 2.70 5.710196765e+00 1.132868284e+01 1.409627495e+01 2.72 5.335850507e+00 1.072412836e+01 1.337024871e+01 2.74 4.982879468e+00 1.015177131e+01 1.267727496e+01 2.76 4.649708560e+00 9.609812713e+00 1.201608457e+01 2.78 4.336317286e+00 9.096474483e+00 1.138546523e+01 2.80 4.042054792e+00 8.610005534e+00 1.078424880e+01 2.82 3.765275240e+00 8.148690394e+00 1.021090360e+01 2.84 3.505852475e+00 7.710859685e+00 9.664267032e+00 2.86 3.262757025e+00 7.294474831e+00 9.143965167e+00 2.88 3.034906719e+00 6.898448286e+00 8.648879657e+00 2.90 2.821216687e+00 6.521422181e+00 8.177926798e+00 2.92 2.620607259e+00 6.161995391e+00 7.730055885e+00 2.94 2.431924050e+00 5.818876514e+00 7.304068934e+00 2.96 2.253645216e+00 5.490889732e+00 6.898012584e+00 2.98 2.085537097e+00 5.176978306e+00 6.512465604e+00 3.00 1.926594962e+00 4.876205479e+00 6.146396578e+00 3.02 1.775820026e+00 4.587752695e+00 5.798695249e+00 3.04 1.632411444e+00 4.310915163e+00 5.468536123e+00 3.06 1.495603810e+00 4.045094931e+00 5.155036362e+00 3.08 1.364696450e+00 3.789791747e+00 4.857301503e+00 3.10 1.239075867e+00 3.544592087e+00 4.574462285e+00 3.12 1.118215686e+00 3.309156798e+00 4.305671724e+00 3.14 1.001674639e+00 3.083207864e+00 4.050103588e+00 3.16 8.890927070e-01 2.866280638e+00 3.806952316e+00 3.18 7.801856149e-01 2.658414714e+00 3.575434307e+00 3.20 6.747379426e-01 2.459496523e+00 3.354790426e+00 3.22 5.725951720e-01 2.269346872e+00 3.144289475e+00 3.24 4.736550142e-01 2.087788563e+00 2.943232329e+00 3.26 3.778583733e-01 1.914637463e+00 2.750956401e+00 3.28 2.851802939e-01 1.749695468e+00 2.566840081e+00 3.30 1.952457806e-01 1.591729107e+00 2.389555974e+00 3.32 1.084546587e-01 1.441527356e+00 2.219340420e+00 3.34 2.493154079e-02 1.299084762e+00 2.055910738e+00 3.36 -5.531634643e-02 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