# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2015--Elliott-R-S-Akerson-A--Ir # implementation = LJ_ElliottAkerson_2015_Universal__MO_959249795837_003 # NOTE: These values only provide a look at the purely pair interaction # of the potential and therefore exclude multi-body interactions. # Calculations from the NIST Interatomic Potential Repository Project: # http://www.ctcms.nist.gov/potentials/ # Table generated 2024-11-27 r Ir Ir 0.02 2.286434268e+26 0.04 5.582114912e+22 0.06 4.302329455e+20 0.08 1.362821022e+19 0.10 9.365234725e+17 0.12 1.050373390e+17 0.14 1.651894196e+16 0.16 3.327199543e+15 0.18 8.095590806e+14 0.20 2.286433686e+14 0.22 7.285280920e+13 0.24 2.564386240e+13 0.26 9.813817089e+12 0.28 4.032937207e+12 0.30 1.762229036e+12 0.32 8.123011614e+11 0.34 3.924361405e+11 0.36 1.976445757e+11 0.38 1.033023756e+11 0.40 5.582023984e+10 0.42 3.108262604e+10 0.44 1.778582513e+10 0.46 1.043297880e+10 0.48 6.260408835e+09 0.50 3.835761796e+09 0.52 2.395766000e+09 0.54 1.523178232e+09 0.56 9.844849352e+08 0.58 6.461256637e+08 0.60 4.301531183e+08 0.62 2.902152851e+08 0.64 1.982623626e+08 0.66 1.370404149e+08 0.68 9.577252241e+07 0.70 6.762993127e+07 0.72 4.822675398e+07 0.74 3.470997762e+07 0.76 2.520128097e+07 0.78 1.844991263e+07 0.80 1.361400271e+07 0.82 1.012108482e+07 0.84 7.578095527e+06 0.86 5.712654414e+06 0.88 4.334347994e+06 0.90 3.308946294e+06 0.92 2.541067633e+06 0.94 1.962416994e+06 0.96 1.523736401e+06 0.98 1.189249830e+06 1.00 9.327990606e+05 1.02 7.351351957e+05 1.04 5.820063411e+05 1.06 4.627979110e+05 1.08 3.695593454e+05 1.10 2.963029071e+05 1.12 2.384953472e+05 1.14 1.926871804e+05 1.16 1.562407533e+05 1.18 1.271296680e+05 1.20 1.037900434e+05 1.22 8.500964241e+04 1.24 6.984481423e+04 1.26 5.755797014e+04 1.28 4.757029764e+04 1.30 3.942583673e+04 1.32 3.276406862e+04 1.34 2.729891120e+04 1.36 2.280255749e+04 1.38 1.909299113e+04 1.40 1.602430480e+04 1.42 1.347916442e+04 1.44 1.136292192e+04 1.46 9.598999946e+03 1.48 8.125261118e+03 1.50 6.891142339e+03 1.52 5.855385634e+03 1.54 4.984235657e+03 1.56 4.250003500e+03 1.58 3.629918968e+03 1.60 3.105210694e+03 1.62 2.660366794e+03 1.64 2.282538983e+03 1.66 1.961061029e+03 1.68 1.687058581e+03 1.70 1.453132239e+03 1.72 1.253099458e+03 1.74 1.081783873e+03 1.76 9.348429128e+02 1.78 8.086264178e+02 1.80 7.000604321e+02 1.82 6.065514689e+02 1.84 5.259074770e+02 1.86 4.562724556e+02 1.88 3.960722509e+02 1.90 3.439695303e+02 1.92 2.988263092e+02 1.94 2.596727012e+02 1.96 2.256808119e+02 1.98 1.961428870e+02 2.00 1.704529913e+02 2.02 1.480916190e+02 2.04 1.286127452e+02 2.06 1.116329132e+02 2.08 9.682202142e+01 2.10 8.389553405e+01 2.12 7.260788408e+01 2.14 6.274687796e+01 2.16 5.412894261e+01 2.18 4.659508206e+01 2.20 4.000743276e+01 2.22 3.424632473e+01 2.24 2.920777089e+01 2.26 2.480131925e+01 2.28 2.094821301e+01 2.30 1.757981250e+01 2.32 1.463623988e+01 2.34 1.206521377e+01 2.36 9.821045924e+00 2.38 7.863776399e+00 2.40 6.158427281e+00 2.42 4.674357901e+00 2.44 3.384707163e+00 2.46 2.265910684e+00 2.48 1.297282251e+00 2.50 4.606506528e-01 2.52 -2.599557624e-01 2.54 -8.785833473e-01 2.56 -1.407591849e+00 2.58 -1.857862345e+00 2.60 -2.238978550e+00 2.62 -2.559385055e+00 2.64 -2.826525553e+00 2.66 -3.046963687e+00 2.68 -3.226488800e+00 2.70 -3.370208538e+00 2.72 -3.482630025e+00 2.74 -3.567731054e+00 2.76 -3.629022588e+00 2.78 -3.669603665e+00 2.80 -3.692209661e+00 2.82 -3.699254755e+00 2.84 -3.692869308e+00 2.86 -3.674932790e+00 2.88 -3.647102808e+00 2.90 -3.610840710e+00 2.92 -3.567434173e+00 2.94 -3.518017163e+00 2.96 -3.463587556e+00 2.98 -3.405022728e+00 3.00 -3.343093338e+00 3.02 -3.278475521e+00 3.04 -3.211761689e+00 3.06 -3.143470094e+00 3.08 -3.074053300e+00 3.10 -3.003905696e+00 3.12 -2.933370157e+00 3.14 -2.862743947e+00 3.16 -2.792283967e+00 3.18 -2.722211400e+00 3.20 -2.652715849e+00 3.22 -2.583958996e+00 3.24 -2.516077863e+00 3.26 -2.449187706e+00 3.28 -2.383384581e+00 3.30 -2.318747629e+00 3.32 -2.255341104e+00 3.34 -2.193216174e+00 3.36 -2.132412525e+00 3.38 -2.072959777e+00 3.40 -2.014878753e+00 3.42 -1.958182598e+00 3.44 -1.902877773e+00 3.46 -1.848964941e+00 3.48 -1.796439751e+00 3.50 -1.745293531e+00 3.52 -1.695513906e+00 3.54 -1.647085341e+00 3.56 -1.599989628e+00 3.58 -1.554206308e+00 3.60 -1.509713051e+00 3.62 -1.466485992e+00 3.64 -1.424500016e+00 3.66 -1.383729024e+00 3.68 -1.344146156e+00 3.70 -1.305723991e+00 3.72 -1.268434723e+00 3.74 -1.232250310e+00 3.76 -1.197142607e+00 3.78 -1.163083484e+00 3.80 -1.130044922e+00 3.82 -1.097999101e+00 3.84 -1.066918471e+00 3.86 -1.036775819e+00 3.88 -1.007544317e+00 3.90 -9.791975694e-01 3.92 -9.517096495e-01 3.94 -9.250551294e-01 3.96 -8.992091045e-01 3.98 -8.741472129e-01 4.00 -8.498456496e-01 4.02 -8.262811780e-01 4.04 -8.034311363e-01 4.06 -7.812734420e-01 4.08 -7.597865931e-01 4.10 -7.389496678e-01 4.12 -7.187423208e-01 4.14 -6.991447794e-01 4.16 -6.801378373e-01 4.18 -6.617028469e-01 4.20 -6.438217116e-01 4.22 -6.264768757e-01 4.24 -6.096513152e-01 4.26 -5.933285268e-01 4.28 -5.774925166e-01 4.30 -5.621277891e-01 4.32 -5.472193352e-01 4.34 -5.327526202e-01 4.36 -5.187135720e-01 4.38 -5.050885684e-01 4.40 -4.918644257e-01 4.42 -4.790283856e-01 4.44 -4.665681042e-01 4.46 -4.544716390e-01 4.48 -4.427274380e-01 4.50 -4.313243272e-01 4.52 -4.202514999e-01 4.54 -4.094985047e-01 4.56 -3.990552350e-01 4.58 -3.889119178e-01 4.60 -3.790591035e-01 4.62 -3.694876550e-01 4.64 -3.601887380e-01 4.66 -3.511538112e-01 4.68 -3.423746164e-01 4.70 -3.338431694e-01 4.72 -3.255517509e-01 4.74 -3.174928975e-01 4.76 -3.096593936e-01 4.78 -3.020442625e-01 4.80 -2.946407588e-01 4.82 -2.874423604e-01 4.84 -2.804427611e-01 4.86 -2.736358628e-01 4.88 -2.670157692e-01 4.90 -2.605767782e-01 4.92 -2.543133757e-01 4.94 -2.482202288e-01 4.96 -2.422921801e-01 4.98 -2.365242413e-01 5.00 -2.309115874e-01 5.02 -2.254495514e-01 5.04 -2.201336186e-01 5.06 -2.149594213e-01 5.08 -2.099227342e-01 5.10 -2.050194690e-01 5.12 -2.002456701e-01 5.14 -1.955975095e-01 5.16 -1.910712833e-01 5.18 -1.866634066e-01 5.20 -1.823704098e-01 5.22 -1.781889346e-01 5.24 -1.741157303e-01 5.26 -1.701476501e-01 5.28 -1.662816472e-01 5.30 -1.625147719e-01 5.32 -1.588441681e-01 5.34 -1.552670700e-01 5.36 -1.517807991e-01 5.38 -1.483827613e-01 5.40 -1.450704441e-01 5.42 -1.418414136e-01 5.44 -1.386933120e-01 5.46 -1.356238553e-01 5.48 -1.326308302e-01 5.50 -1.297120923e-01 5.52 -1.268655635e-01 5.54 -1.240892299e-01 5.56 -1.213811396e-01 5.58 -1.187394005e-01 5.60 -1.161621788e-01 5.62 -1.136476963e-01 5.64 -1.111942293e-01 5.66 -1.088001064e-01 5.68 -1.064637067e-01 5.70 -1.041834586e-01 5.72 -1.019578377e-01 5.74 -9.978536527e-02 5.76 -9.766460723e-02 5.78 -9.559417221e-02 5.80 -9.357271034e-02 5.82 -9.159891194e-02 5.84 -8.967150613e-02 5.86 -8.778925965e-02 5.88 -8.595097559e-02 5.90 -8.415549227e-02 5.92 -8.240168207e-02 5.94 -8.068845037e-02 5.96 -7.901473446e-02 5.98 -7.737950258e-02 6.00 -7.578175286e-02 6.02 -7.422051246e-02 6.04 -7.269483657e-02 6.06 -7.120380757e-02 6.08 -6.974653419e-02 6.10 -6.832215063e-02 6.12 -6.692981581e-02 6.14 -6.556871258e-02 6.16 -6.423804695e-02 6.18 -6.293704744e-02 6.20 -6.166496429e-02 6.22 -6.042106887e-02 6.24 -5.920465297e-02 6.26 -5.801502822e-02 6.28 -5.685152544e-02 6.30 -5.571349407e-02 6.32 -5.460030161e-02 6.34 -5.351133306e-02 6.36 -5.244599038e-02 6.38 -5.140369200e-02 6.40 -5.038387231e-02 6.42 -4.938598115e-02 6.44 -4.840948342e-02 6.46 -4.745385854e-02 6.48 -4.651860009e-02 6.50 -4.560321532e-02 6.52 -4.470722482e-02 6.54 -4.383016205e-02 6.56 -4.297157302e-02 6.58 -4.213101586e-02 6.60 -4.130806052e-02 6.62 -4.050228840e-02 6.64 -3.971329200e-02 6.66 -3.894067460e-02 6.68 -3.818404999e-02 6.70 -3.744304208e-02 6.72 -3.671728470e-02 6.74 -3.600642125e-02 6.76 -3.531010444e-02 6.78 -3.462799604e-02 6.80 -3.395976657e-02 6.82 -3.330509514e-02 6.84 -3.266366911e-02 6.86 -3.203518390e-02 6.88 -3.141934276e-02 6.90 -3.081585656e-02 6.92 -3.022444354e-02 6.94 -2.964482913e-02 6.96 -2.907674574e-02 6.98 -2.851993256e-02 7.00 -2.797413537e-02 7.02 -2.743910638e-02 7.04 -2.691460403e-02 7.06 -2.640039279e-02 7.08 -2.589624305e-02 7.10 -2.540193093e-02 7.12 -2.491723810e-02 7.14 -2.444195168e-02 7.16 -2.397586403e-02 7.18 -2.351877266e-02 7.20 -2.307048005e-02 7.22 -2.263079354e-02 7.24 -2.219952519e-02 7.26 -2.177649164e-02 7.28 -2.136151402e-02 7.30 -2.095441779e-02 7.32 -2.055503265e-02 7.34 -2.016319241e-02 7.36 -1.977873490e-02 7.38 -1.940150184e-02 7.40 -1.903133876e-02 7.42 -1.866809488e-02 7.44 -1.831162301e-02 7.46 -1.796177948e-02 7.48 -1.761842403e-02 7.50 -1.728141972e-02 7.52 -1.695063284e-02 7.54 -1.662593284e-02 7.56 -1.630719223e-02 7.58 -1.599428652e-02 7.60 -1.568709413e-02 7.62 -1.538549631e-02 7.64 -1.508937709e-02 7.66 -1.479862317e-02 7.68 -1.451312388e-02 7.70 -1.423277112e-02 7.72 -1.395745927e-02 7.74 -1.368708515e-02 7.76 -1.342154791e-02 7.78 -1.316074906e-02 7.80 -1.290459231e-02 7.82 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