# 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 = CsNa3 # 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 1.221651798e+03 nan nan 1.12 1.133051187e+03 nan nan 1.14 1.051627585e+03 nan nan 1.16 9.767224174e+02 nan nan 1.18 9.077459461e+02 nan nan 1.20 8.441668110e+02 1.220246585e+03 nan 1.22 7.855070191e+02 nan nan 1.24 7.313373191e+02 1.063245125e+03 nan 1.26 6.812709046e+02 9.933546001e+02 1.135986922e+03 1.28 6.349580442e+02 9.285667093e+02 1.063117253e+03 1.30 5.920834010e+02 8.684599123e+02 9.954380107e+02 1.32 5.523619767e+02 8.126536740e+02 9.325314671e+02 1.34 5.155331870e+02 7.608010288e+02 8.740174446e+02 1.36 4.813634438e+02 7.125880656e+02 8.195499771e+02 1.38 4.496394573e+02 6.677277763e+02 7.688144464e+02 1.40 4.201654101e+02 6.259601340e+02 7.215222102e+02 1.42 3.927638406e+02 5.870457706e+02 6.774111893e+02 1.44 3.672742548e+02 5.507656458e+02 6.362414124e+02 1.46 3.435477207e+02 5.169191644e+02 5.977921655e+02 1.48 3.214498889e+02 4.853231790e+02 5.618616741e+02 1.50 3.008580489e+02 4.558110124e+02 5.282648454e+02 1.52 2.816588909e+02 4.282278678e+02 4.968338850e+02 1.54 2.637483111e+02 4.024338730e+02 4.674120393e+02 1.56 2.470313120e+02 3.782988352e+02 4.398567006e+02 1.58 2.314213568e+02 3.557043355e+02 4.140365950e+02 1.60 2.168390429e+02 3.345425373e+02 3.898315062e+02 1.62 2.032110585e+02 3.147135596e+02 3.671302238e+02 1.64 1.904694595e+02 2.961252115e+02 3.458298421e+02 1.66 1.785517067e+02 2.786929752e+02 3.258353183e+02 1.68 1.674019135e+02 2.623384202e+02 3.070592932e+02 1.70 1.569669764e+02 2.469892387e+02 2.894211771e+02 1.72 1.471977730e+02 2.325788812e+02 2.728462550e+02 1.74 1.380488477e+02 2.190459223e+02 2.572648010e+02 1.76 1.294776353e+02 2.063329493e+02 2.426121675e+02 1.78 1.214447688e+02 1.943859493e+02 2.288275320e+02 1.80 1.139151469e+02 1.831553940e+02 2.158556541e+02 1.82 1.068549059e+02 1.725952824e+02 2.036446863e+02 1.84 1.002328750e+02 1.626622390e+02 1.921474256e+02 1.86 9.401992552e+01 1.533159711e+02 1.813187179e+02 1.88 8.818888003e+01 1.445183121e+02 1.711160109e+02 1.90 8.271466627e+01 1.362351582e+02 1.615007814e+02 1.92 7.757390175e+01 1.284340571e+02 1.524366423e+02 1.94 7.274582058e+01 1.210851719e+02 1.438894733e+02 1.96 6.821052772e+01 1.141600934e+02 1.358275355e+02 1.98 6.394947085e+01 1.076323158e+02 1.282214100e+02 2.00 5.994546430e+01 1.014769582e+02 1.210436595e+02 2.02 5.618256782e+01 9.567147960e+01 1.142685880e+02 2.04 5.264597382e+01 9.019448788e+01 1.078721354e+02 2.06 4.932190350e+01 8.502606932e+01 1.018313152e+02 2.08 4.619751199e+01 8.014768581e+01 9.612585895e+01 2.10 4.326058427e+01 7.554207959e+01 9.073627933e+01 2.12 4.049966494e+01 7.119312909e+01 8.564420302e+01 2.14 3.790493209e+01 6.708566736e+01 8.083228414e+01 2.16 3.546634732e+01 6.320596095e+01 7.628473753e+01 2.18 3.317453822e+01 5.954090110e+01 7.198642700e+01 2.20 3.102094801e+01 5.607879850e+01 6.792376171e+01 2.22 2.899727983e+01 5.280821564e+01 6.408344857e+01 2.24 2.709580323e+01 4.971861092e+01 6.045304476e+01 2.26 2.530923278e+01 4.680009022e+01 5.702084881e+01 2.28 2.363070108e+01 4.404334415e+01 5.377584430e+01 2.30 2.205352150e+01 4.143916417e+01 5.070754376e+01 2.32 2.057189527e+01 3.897984906e+01 4.780630978e+01 2.34 1.918018787e+01 3.665775256e+01 4.506296504e+01 2.36 1.787300755e+01 3.446551333e+01 4.246882583e+01 2.38 1.664469619e+01 3.239617062e+01 4.001570908e+01 2.40 1.549147173e+01 3.044313016e+01 3.769590335e+01 2.42 1.440885756e+01 2.860013476e+01 3.550169560e+01 2.44 1.339266762e+01 2.686123933e+01 3.342682981e+01 2.46 1.243898338e+01 2.522078905e+01 3.146416224e+01 2.48 1.154413212e+01 2.367318036e+01 2.960838441e+01 2.50 1.070466656e+01 2.221359246e+01 2.785377053e+01 2.52 9.917346095e+00 2.083680765e+01 2.619485342e+01 2.54 9.179119742e+00 1.953836748e+01 2.462648898e+01 2.56 8.487110742e+00 1.831407862e+01 2.314381472e+01 2.58 7.838602902e+00 1.715951600e+01 2.174227973e+01 2.60 7.231028595e+00 1.607084639e+01 2.041758834e+01 2.62 6.661958314e+00 1.504439818e+01 1.916566910e+01 2.64 6.129091673e+00 1.407655348e+01 1.798265079e+01 2.66 5.630249692e+00 1.316389974e+01 1.686477256e+01 2.68 5.163368201e+00 1.230322163e+01 1.580877454e+01 2.70 4.726492200e+00 1.149149319e+01 1.481137525e+01 2.72 4.317771005e+00 1.072585202e+01 1.386946243e+01 2.74 3.935454019e+00 1.000364966e+01 1.298008197e+01 2.76 3.577840747e+00 9.322382482e+00 1.214042790e+01 2.78 3.243221695e+00 8.679701140e+00 1.134783351e+01 2.80 2.930273602e+00 8.073389817e+00 1.059976345e+01 2.82 2.637749577e+00 7.501304024e+00 9.893806681e+00 2.84 2.364325928e+00 6.961650976e+00 9.227670555e+00 2.86 2.108764709e+00 6.452620337e+00 8.598979100e+00 2.88 1.869909822e+00 5.972517983e+00 8.005910551e+00 2.90 1.646593962e+00 5.519757359e+00 7.446310276e+00 2.92 1.437856968e+00 5.092851128e+00 6.918384345e+00 2.94 1.242847817e+00 4.690403197e+00 6.420515221e+00 2.96 1.060691559e+00 4.311101202e+00 5.950999477e+00 2.98 8.905774792e-01 3.953709510e+00 5.508228225e+00 3.00 7.317550499e-01 3.617062795e+00 5.090683330e+00 3.02 5.835299261e-01 3.300060207e+00 4.696933790e+00 3.04 4.452599853e-01 3.001660156e+00 4.325632208e+00 3.06 3.163514384e-01 2.720875701e+00 3.975511308e+00 3.08 1.962550320e-01 2.456770521e+00 3.645380458e+00 3.10 8.446236635e-02 2.208455435e+00 3.334122163e+00 3.12 -1.949764744e-02 1.975085428e+00 3.040688504e+00 3.14 -1.160796192e-01 1.755857111e+00 2.764062621e+00 3.16 -2.056676046e-01 1.550006579e+00 2.503369591e+00 3.18 -2.886407075e-01 1.356793792e+00 2.257747501e+00 3.20 -3.653538071e-01 1.175498919e+00 2.026387813e+00 3.22 -4.361390646e-01 1.005526321e+00 1.808533735e+00 3.24 -5.013629575e-01 8.462017812e-01 1.603367084e+00 3.26 -5.613044043e-01 6.969457687e-01 1.410252593e+00 3.28 -6.161772248e-01 5.572539316e-01 1.228693167e+00 3.30 -6.662483761e-01 4.265922900e-01 1.058093294e+00 3.32 -7.117707487e-01 3.044292951e-01 8.978930606e-01 3.34 -7.529844794e-01 1.901765491e-01 7.475649471e-01 3.36 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