# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2006--Murdick-D-A-Zhou-X-W-Wadley-H-N-G-et-al--Ga-As # implementation = 2006--Murdick-D-A--Ga-As--LAMMPS--ipr1 # composition = AsGa3 # 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 2024-11-27 r A15--Cr3Si D0_3--BiF3 L1_2--AuCu3 2.00 2.995570354e+00 9.965276014e+00 1.309667458e+01 2.02 2.446774781e+00 8.969680876e+00 1.190704574e+01 2.04 1.940521518e+00 8.031626225e+00 1.079508130e+01 2.06 1.474204312e+00 7.149257320e+00 9.758994863e+00 2.08 1.042914289e+00 6.320815121e+00 8.796999998e+00 2.10 6.441247459e-01 5.544602782e+00 7.907309458e+00 2.12 2.756480351e-01 4.818964062e+00 7.088162328e+00 2.14 -6.366642172e-02 4.142259592e+00 6.336981960e+00 2.16 -3.754448824e-01 3.512856138e+00 5.635608205e+00 2.18 -6.611365554e-01 2.929125538e+00 4.974332050e+00 2.20 -9.221356052e-01 2.389456863e+00 4.351502832e+00 2.22 -1.159781343e+00 1.892274802e+00 3.765528721e+00 2.24 -1.375362037e+00 1.436080251e+00 3.214879836e+00 2.26 -1.570114176e+00 1.019722806e+00 2.698087349e+00 2.28 -1.745226146e+00 6.393568936e-01 2.213740538e+00 2.30 -1.901838253e+00 2.862258457e-01 1.760484506e+00 2.32 -2.041044824e+00 -4.144730813e-02 1.337016036e+00 2.34 -2.163894707e+00 -3.449062929e-01 9.420803554e-01 2.36 -2.271393975e+00 -6.253492193e-01 5.744645144e-01 2.38 -2.364506228e+00 -8.839286498e-01 2.329916563e-01 2.40 -2.444153840e+00 -1.121752504e+00 -8.348226476e-02 2.42 -2.511218999e+00 -1.339886928e+00 -3.760769987e-01 2.44 -2.566545692e+00 -1.539356922e+00 -6.458889643e-01 2.46 -2.610141320e+00 -1.721147053e+00 -8.939944951e-01 2.48 -2.638589891e+00 -1.886203490e+00 -1.121451628e+00 2.50 -2.652343000e+00 -2.035435162e+00 -1.329300073e+00 2.52 -2.652497066e+00 -2.169714089e+00 -1.518558247e+00 2.54 -2.640133911e+00 -2.289878218e+00 -1.690223923e+00 2.56 -2.616327764e+00 -2.396729540e+00 -1.845267697e+00 2.58 -2.582153130e+00 -2.491039258e+00 -1.984635015e+00 2.60 -2.538813156e+00 -2.573536205e+00 -2.109194451e+00 2.62 -2.487327043e+00 -2.643841031e+00 -2.219742524e+00 2.64 -2.428778575e+00 -2.701932082e+00 -2.317937148e+00 2.66 -2.364342093e+00 -2.748545818e+00 -2.404898941e+00 2.68 -2.295242820e+00 -2.784400927e+00 -2.481254046e+00 2.70 -2.221536916e+00 -2.810195843e+00 -2.547603693e+00 2.72 -2.142337809e+00 -2.826608516e+00 -2.604526001e+00 2.74 -2.058999856e+00 -2.834296404e+00 -2.652577792e+00 2.76 -1.972949431e+00 -2.833893669e+00 -2.692291713e+00 2.78 -1.885601110e+00 -2.826013918e+00 -2.724180571e+00 2.80 -1.798300345e+00 -2.811249090e+00 -2.748735148e+00 2.82 -1.712249854e+00 -2.790172043e+00 -2.766426607e+00 2.84 -1.628422723e+00 -2.763338788e+00 -2.777705991e+00 2.86 -1.547477057e+00 -2.731291595e+00 -2.783005018e+00 2.88 -1.469691080e+00 -2.694563027e+00 -2.782736886e+00 2.90 -1.394941608e+00 -2.653679773e+00 -2.777296666e+00 2.92 -1.322744356e+00 -2.609167082e+00 -2.767061667e+00 2.94 -1.252358758e+00 -2.561550942e+00 -2.752391994e+00 2.96 -1.182946062e+00 -2.511360303e+00 -2.733631205e+00 2.98 -1.113751480e+00 -2.459125622e+00 -2.711106828e+00 3.00 -1.044283882e+00 -2.405376194e+00 -2.685131687e+00 3.02 -9.738730687e-01 -2.347900568e+00 -2.652621424e+00 3.04 -9.036230375e-01 -2.284666878e+00 -2.610713261e+00 3.06 -8.358545822e-01 -2.216544323e+00 -2.560027627e+00 3.08 -7.714033446e-01 -2.144148907e+00 -2.501185111e+00 3.10 -7.110658200e-01 -2.068181233e+00 -2.434805921e+00 3.12 -6.555481585e-01 -1.989312420e+00 -2.361509087e+00 3.14 -6.053870874e-01 -1.908176744e+00 -2.281913536e+00 3.16 -5.608491410e-01 -1.825379486e+00 -2.196637268e+00 3.18 -5.218219061e-01 -1.741514281e+00 -2.106298244e+00 3.20 -4.877310888e-01 -1.657185777e+00 -2.011513761e+00 3.22 -4.575447196e-01 -1.572195390e+00 -1.912901001e+00 3.24 -4.299374726e-01 -1.485216602e+00 -1.811076698e+00 3.26 -4.036171741e-01 -1.396660957e+00 -1.706657389e+00 3.28 -3.776209956e-01 -1.306998658e+00 -1.600259546e+00 3.30 -3.513718054e-01 -1.216699502e+00 -1.492499178e+00 3.32 -3.247334023e-01 -1.126233047e+00 -1.383992267e+00 3.34 -2.981832072e-01 -1.036068586e+00 -1.275354575e+00 3.36 -2.719258971e-01 -9.466751318e-01 -1.167201662e+00 3.38 -2.461044411e-01 -8.585214219e-01 -1.060148975e+00 3.40 -2.208599261e-01 -7.720758719e-01 -9.548117023e-01 3.42 -1.963309626e-01 -6.878065442e-01 -8.518047603e-01 3.44 -1.726531499e-01 -6.061810664e-01 -7.517428050e-01 3.46 -1.499586086e-01 -5.276665964e-01 -6.552401399e-01 3.48 -1.283757606e-01 -4.527297106e-01 -5.629105980e-01 3.50 -1.080292422e-01 -3.818362881e-01 -4.753672554e-01 3.52 -8.904008613e-02 -3.154515419e-01 -3.932220358e-01 3.54 -7.152635516e-02 -2.540406618e-01 -3.170854772e-01 3.56 -5.560449174e-02 -1.980701878e-01 -2.475667118e-01 3.58 -4.139284610e-02 -1.480107718e-01 -1.852754884e-01 3.60 -2.901886097e-02 -1.043370064e-01 -1.308255148e-01 3.62 -1.862421766e-02 -6.750580943e-02 -8.482604139e-02 3.64 -1.033389376e-02 -3.787407624e-02 -4.780616722e-02 3.66 -4.156730686e-03 -1.554441347e-02 -1.998750139e-02 3.68 -4.091303994e-04 -8.916542785e-04 -1.249762463e-03 3.70 3.047207910e-17 1.250507905e-16 1.368127045e-16 3.72 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.74 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.76 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.78 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.80 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.82 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.84 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.86 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.88 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.90 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.92 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.94 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.96 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.98 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.00 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.02 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.04 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.06 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.08 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.10 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.12 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.14 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.16 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.18 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.20 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.22 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.24 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.26 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.28 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.30 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.32 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.34 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.36 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.38 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.40 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.42 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.44 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.46 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.48 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.50 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.52 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.54 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.56 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.58 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.60 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.62 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.64 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.66 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.68 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.70 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.72 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.74 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.76 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.78 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.80 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.82 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.84 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.86 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.88 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.90 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.92 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.94 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.96 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.98 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.00 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.02 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.04 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.06 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.08 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.10 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.12 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.14 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.16 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.18 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.20 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.22 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.24 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.26 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.28 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.30 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.32 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.34 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.36 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.38 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.40 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.42 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.44 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.46 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.48 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.50 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.52 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.56 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00 0.000000000e+00