# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2014--Nouranian-S-Tschopp-M-A-Gwaltney-S-R-et-al--CH # implementation = 2014--Nouranian-S--CH--ipr1 # composition = C3H # 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 4.166347130e+02 nan nan 0.66 3.821185103e+02 nan nan 0.68 3.503400884e+02 nan nan 0.70 3.210740239e+02 3.969991608e+02 nan 0.72 2.941159788e+02 3.667282474e+02 4.738340451e+02 0.74 2.692802696e+02 3.386718569e+02 4.385597965e+02 0.76 2.463977888e+02 3.126608396e+02 4.057741883e+02 0.78 2.253142173e+02 2.885408926e+02 3.752971003e+02 0.80 2.058884782e+02 2.661709336e+02 3.469630637e+02 0.82 1.879913929e+02 2.454217001e+02 3.206197920e+02 0.84 1.715045065e+02 2.261745356e+02 2.961269005e+02 0.86 1.563190570e+02 2.083203323e+02 2.733547829e+02 0.88 1.423350667e+02 1.917586075e+02 2.521836234e+02 0.90 1.294605377e+02 1.763966918e+02 2.325025225e+02 0.92 1.176107368e+02 1.621490128e+02 2.142087211e+02 0.94 1.067075577e+02 1.489364611e+02 1.972069091e+02 0.96 9.667895091e+01 1.366858267e+02 1.814086068e+02 0.98 8.745841045e+01 1.253292958e+02 1.667316100e+02 1.00 7.898451317e+01 1.148040009e+02 1.530994899e+02 1.02 7.120050182e+01 1.050516158e+02 1.404411419e+02 1.04 6.405390796e+01 9.601799161e+01 1.286903765e+02 1.06 5.749620975e+01 8.765282742e+01 1.177855484e+02 1.08 5.148252073e+01 7.990937194e+01 1.076692178e+02 1.10 4.597130620e+01 7.274415257e+01 9.828784267e+01 1.12 4.092412432e+01 6.611672870e+01 8.959149591e+01 1.14 3.630538930e+01 5.998946660e+01 8.153360732e+01 1.16 3.208215454e+01 5.432733351e+01 7.407072600e+01 1.18 2.822391365e+01 4.909770905e+01 6.716230214e+01 1.20 2.470241766e+01 4.427021207e+01 6.077048584e+01 1.22 2.149150698e+01 3.981654147e+01 5.485994161e+01 1.24 1.856695659e+01 3.571032960e+01 4.939767692e+01 1.26 1.590633344e+01 3.192700705e+01 4.435288360e+01 1.28 1.348886484e+01 2.844367789e+01 3.969679099e+01 1.30 1.129531694e+01 2.523900416e+01 3.540252971e+01 1.32 9.307882485e+00 2.229309907e+01 3.144500524e+01 1.34 7.510076977e+00 1.958742804e+01 2.780078053e+01 1.36 5.886642604e+00 1.710471683e+01 2.444796673e+01 1.38 4.423459304e+00 1.482886634e+01 2.136612162e+01 1.40 3.107462378e+00 1.274487342e+01 1.853615495e+01 1.42 1.926566135e+00 1.083875725e+01 1.594024025e+01 1.44 8.695931046e-01 9.097490858e+00 1.356173263e+01 1.46 -7.379162167e-02 7.508937342e+00 1.138509202e+01 1.48 -9.131413050e-01 6.061790486e+00 9.395811623e+00 1.50 -1.657284092e+00 4.745519416e+00 7.580350981e+00 1.52 -2.314375497e+00 3.550316991e+00 5.926073542e+00 1.54 -2.891947130e+00 2.467051675e+00 4.421188263e+00 1.56 -3.396951952e+00 1.487222623e+00 3.054695017e+00 1.58 -3.835806312e+00 6.029177574e-01 1.816333550e+00 1.60 -4.214428994e+00 -1.932253687e-01 6.965357241e-01 1.62 -4.538277504e+00 -9.080561323e-01 -3.136191683e-01 1.64 -4.812381784e+00 -1.547944990e+00 -1.222446220e+00 1.66 -5.041375538e+00 -2.118815388e+00 -2.037694056e+00 1.68 -5.229525357e+00 -2.626173591e+00 -2.766581482e+00 1.70 -5.380757723e+00 -3.075136555e+00 -3.415831802e+00 1.72 -5.498683833e+00 -3.470458003e+00 -3.991704954e+00 1.74 -5.586624339e+00 -3.816552797e+00 -4.500027609e+00 1.76 -5.647629996e+00 -4.117519745e+00 -4.946221365e+00 1.78 -5.684501248e+00 -4.377162935e+00 -5.335329154e+00 1.80 -5.699808146e+00 -4.599011707e+00 -5.672039984e+00 1.82 -5.695907483e+00 -4.786339348e+00 -5.960712117e+00 1.84 -5.674959072e+00 -4.942180608e+00 -6.205394780e+00 1.86 -5.638940900e+00 -5.069348130e+00 -6.409848511e+00 1.88 -5.589663258e+00 -5.170447857e+00 -6.577564224e+00 1.90 -5.528781914e+00 -5.247893529e+00 -6.711781062e+00 1.92 -5.457810439e+00 -5.303920334e+00 -6.815503135e+00 1.94 -5.378131741e+00 -5.340597829e+00 -6.891515201e+00 1.96 -5.291008931e+00 -5.359842212e+00 -6.942397352e+00 1.98 -5.197595583e+00 -5.363428106e+00 -6.970538792e+00 2.00 -5.098945529e+00 -5.352999996e+00 -6.978150731e+00 2.02 -4.996022299e+00 -5.330083589e+00 -6.967278486e+00 2.04 -4.889708408e+00 -5.296097457e+00 -6.939812817e+00 2.06 -4.780814703e+00 -5.252365597e+00 -6.897500449e+00 2.08 -4.670090157e+00 -5.200132035e+00 -6.841943713e+00 2.10 -4.558232639e+00 -5.140579641e+00 -6.774583150e+00 2.12 -4.445901612e+00 -5.074857795e+00 -6.696806285e+00 2.14 -4.333734357e+00 -5.004129815e+00 -6.610032881e+00 2.16 -4.222368786e+00 -4.929669941e+00 -6.515319927e+00 2.18 -4.112478950e+00 -4.853109659e+00 -6.413738909e+00 2.20 -4.004836774e+00 -4.777303055e+00 -6.306277011e+00 2.22 -3.900433503e+00 -4.712958951e+00 -6.193842729e+00 2.24 -3.800758108e+00 -4.657631470e+00 -6.077272227e+00 2.26 -3.708591654e+00 -4.550917707e+00 -5.957335501e+00 2.28 -3.631354289e+00 -4.441962989e+00 -5.834742428e+00 2.30 -3.664220144e+00 -4.332085397e+00 -5.710148828e+00 2.32 -3.536885776e+00 -4.221986570e+00 -5.584162715e+00 2.34 -3.406662817e+00 -4.112179395e+00 -5.457350986e+00 2.36 -3.277655632e+00 -4.003086322e+00 -5.330246956e+00 2.38 -3.150450789e+00 -3.895078179e+00 -5.203359380e+00 2.40 -2.994837604e+00 -3.788496539e+00 -5.077184090e+00 2.42 -2.705558977e+00 -3.683672131e+00 -4.952220256e+00 2.44 -2.252974698e+00 -3.580945749e+00 -4.828995217e+00 2.46 -2.071597546e+00 -3.480698687e+00 -4.708106061e+00 2.48 -1.989915252e+00 -3.383406052e+00 -4.590296903e+00 2.50 -1.910676385e+00 -3.289746561e+00 -4.476621710e+00 2.52 -1.833899018e+00 -3.200830668e+00 -4.368850875e+00 2.54 -1.759584259e+00 -3.114060757e+00 -4.270798263e+00 2.56 -1.687720072e+00 -3.013586087e+00 -4.195992122e+00 2.58 -1.618284050e+00 -2.899102538e+00 -4.183045047e+00 2.60 -1.551216229e+00 -2.724394288e+00 -4.046853626e+00 2.62 -1.477461860e+00 -2.628586020e+00 -3.909890413e+00 2.64 -1.341334218e+00 -2.534410363e+00 -3.774753882e+00 2.66 -1.055314870e+00 -2.442363234e+00 -3.642235833e+00 2.68 -6.752669761e-01 -2.352662602e+00 -3.512707767e+00 2.70 -6.296078633e-01 -2.265415976e+00 -3.386372342e+00 2.72 -6.053808405e-01 -2.180674894e+00 -3.263345322e+00 2.74 -5.819992821e-01 -2.098458136e+00 -3.143690588e+00 2.76 -5.594395905e-01 -2.018763400e+00 -3.027437847e+00 2.78 -5.376783826e-01 -1.941573915e+00 -2.914592707e+00 2.80 -5.166925291e-01 -1.866862520e+00 -2.805142974e+00 2.82 -4.964591901e-01 -1.794594369e+00 -2.699062849e+00 2.84 -4.769558459e-01 -1.724728815e+00 -2.596315901e+00 2.86 -4.581603243e-01 -1.657220792e+00 -2.496857267e+00 2.88 -4.400508233e-01 -1.592021856e+00 -2.400635340e+00 2.90 -4.226059317e-01 -1.529080991e+00 -2.307593098e+00 2.92 -4.045910433e-01 -1.464076025e+00 -2.211307859e+00 2.94 -3.711539159e-01 -1.344696329e+00 -2.033712950e+00 2.96 -2.882975165e-01 -1.050165659e+00 -1.593491202e+00 2.98 -1.332592379e-01 -4.937963784e-01 -7.557168030e-01 3.00 -1.287680604e-24 -4.177039756e-23 -2.285787741e-23 3.02 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.04 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.06 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.08 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.10 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.12 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.14 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.16 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.18 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.20 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.22 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.24 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.26 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.28 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.30 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.32 0.000000000e+00 0.000000000e+00 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