# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2020--Starikov-S-Gordeev-I-Lysogorskiy-Y-et-al--Si-Au-Al # implementation = 2020--Starikov-S--Si-Au-Al--LAMMPS--ipr1 # composition = AlSi3 # 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 2.668307869e+02 nan nan 0.98 2.414051364e+02 nan nan 1.00 2.186937756e+02 nan nan 1.02 1.983530193e+02 nan nan 1.04 1.801108069e+02 nan nan 1.06 1.637493674e+02 2.487706552e+02 nan 1.08 1.490963022e+02 2.265900144e+02 2.614370698e+02 1.10 1.359851374e+02 2.067837284e+02 2.388163781e+02 1.12 1.242846554e+02 1.889548023e+02 2.182942457e+02 1.14 1.138650296e+02 1.730381585e+02 1.997194729e+02 1.16 1.045859041e+02 1.586582698e+02 1.829296705e+02 1.18 9.634597032e+01 1.456109933e+02 1.677502151e+02 1.20 8.904053278e+01 1.338060430e+02 1.540440145e+02 1.22 8.257368696e+01 1.231696610e+02 1.417154002e+02 1.24 7.681899162e+01 1.136034245e+02 1.306486919e+02 1.26 7.170036178e+01 1.050385079e+02 1.207370527e+02 1.28 6.714954931e+01 9.737559845e+01 1.118030517e+02 1.30 6.314162519e+01 9.052804832e+01 1.038041775e+02 1.32 5.962281567e+01 8.439303397e+01 9.656966066e+01 1.34 5.651570805e+01 7.891654809e+01 9.002382841e+01 1.36 5.375877578e+01 7.403100277e+01 8.410089124e+01 1.38 5.129670227e+01 6.965863002e+01 7.875147418e+01 1.40 4.908089354e+01 6.572512842e+01 7.390863048e+01 1.42 4.708802144e+01 6.219311193e+01 6.951891676e+01 1.44 4.530127039e+01 5.902280495e+01 6.555269202e+01 1.46 4.370355684e+01 5.617248134e+01 6.199197631e+01 1.48 4.220584031e+01 5.359015089e+01 5.880696660e+01 1.50 4.086508898e+01 5.123816978e+01 5.596831504e+01 1.52 3.961710507e+01 4.910990828e+01 5.342946410e+01 1.54 3.845200796e+01 4.720655669e+01 5.115489611e+01 1.56 3.735977452e+01 4.549032854e+01 4.909538291e+01 1.58 3.633440919e+01 4.393380395e+01 4.721089293e+01 1.60 3.538145486e+01 4.254928234e+01 4.547785117e+01 1.62 3.441616113e+01 4.126097523e+01 4.390093911e+01 1.64 3.356730897e+01 4.004843638e+01 4.247918093e+01 1.66 3.274598356e+01 3.890300519e+01 4.120716940e+01 1.68 3.195377999e+01 3.782291874e+01 4.006742551e+01 1.70 3.120114887e+01 3.680715231e+01 3.904198244e+01 1.72 3.050767557e+01 3.586448114e+01 3.811348713e+01 1.74 2.988653735e+01 3.499898426e+01 3.727244960e+01 1.76 2.932831772e+01 3.420498748e+01 3.651969224e+01 1.78 2.881979470e+01 3.347221228e+01 3.584069554e+01 1.80 2.834819930e+01 3.278434813e+01 3.521478286e+01 1.82 2.789136002e+01 3.204771239e+01 3.449632016e+01 1.84 2.746204578e+01 3.141889227e+01 3.389639652e+01 1.86 2.462327231e+01 3.081537892e+01 3.328228596e+01 1.88 2.202199048e+01 3.023806379e+01 3.265658052e+01 1.90 1.998272860e+01 2.968877367e+01 3.202643688e+01 1.92 1.815342250e+01 2.916900382e+01 3.139619335e+01 1.94 1.604801156e+01 2.867885208e+01 3.077551815e+01 1.96 1.353544850e+01 2.821686450e+01 3.017174118e+01 1.98 1.118816665e+01 2.778427184e+01 2.959633777e+01 2.00 9.113006562e+00 2.738059590e+01 2.905847846e+01 2.02 7.377322110e+00 2.700801794e+01 2.856110897e+01 2.04 5.916924563e+00 2.627653346e+01 2.810217133e+01 2.06 4.699049418e+00 2.252440088e+01 2.767702682e+01 2.08 3.682256096e+00 1.919058179e+01 2.727682293e+01 2.10 2.790629340e+00 1.615583528e+01 2.611606661e+01 2.12 1.986327057e+00 1.346275605e+01 2.234360837e+01 2.14 1.260125604e+00 1.092496095e+01 1.938071380e+01 2.16 6.076789755e-01 8.338509426e+00 1.713675539e+01 2.18 2.656801181e-02 6.444947234e+00 1.531076048e+01 2.20 -4.713912925e-01 5.146290398e+00 1.368724065e+01 2.22 -8.936425525e-01 4.266178168e+00 1.208463281e+01 2.24 -1.245680339e+00 3.695179509e+00 1.041114173e+01 2.26 -1.534596431e+00 3.326298600e+00 8.718032158e+00 2.28 -1.775546489e+00 3.042734645e+00 7.105359449e+00 2.30 -1.994032944e+00 2.743665657e+00 5.638300707e+00 2.32 -2.197290013e+00 2.371286323e+00 4.346838285e+00 2.34 -2.390832722e+00 1.906918463e+00 3.234874108e+00 2.36 -2.580142310e+00 1.350078719e+00 2.266205059e+00 2.38 -2.774790848e+00 7.465640419e-01 1.356942712e+00 2.40 -2.969810129e+00 1.564214734e-01 5.152402156e-01 2.42 -3.163901733e+00 -3.893760007e-01 -2.417982215e-01 2.44 -3.347089484e+00 -8.816231083e-01 -9.008921930e-01 2.46 -3.440718131e+00 -1.308331953e+00 -1.453296623e+00 2.48 -3.517817328e+00 -1.673529670e+00 -1.898234669e+00 2.50 -3.566201507e+00 -1.992219905e+00 -2.239525890e+00 2.52 -3.591553365e+00 -2.266149529e+00 -2.483844584e+00 2.54 -3.605301269e+00 -2.501218652e+00 -2.650518263e+00 2.56 -3.615053788e+00 -2.707040627e+00 -2.767339593e+00 2.58 -3.625901109e+00 -2.892425950e+00 -2.853861434e+00 2.60 -3.635155316e+00 -3.068104922e+00 -2.924591478e+00 2.62 -3.632512289e+00 -3.230997205e+00 -2.991995829e+00 2.64 -3.612232816e+00 -3.382463301e+00 -3.067117261e+00 2.66 -3.575585575e+00 -3.481897494e+00 -3.158442773e+00 2.68 -3.527339098e+00 -3.554447256e+00 -3.266751913e+00 2.70 -3.475447252e+00 -3.607052363e+00 -3.389192984e+00 2.72 -3.427198569e+00 -3.646901398e+00 -3.513533485e+00 2.74 -3.384268192e+00 -3.675456043e+00 -3.578474771e+00 2.76 -3.340609770e+00 -3.695327854e+00 -3.635159640e+00 2.78 -3.292188299e+00 -3.709601613e+00 -3.671469847e+00 2.80 -3.236252527e+00 -3.720505538e+00 -3.686574788e+00 2.82 -3.176381659e+00 -3.729626393e+00 -3.687024539e+00 2.84 -3.118221391e+00 -3.734214954e+00 -3.678823855e+00 2.86 -3.053109142e+00 -3.730262889e+00 -3.666594638e+00 2.88 -2.992567267e+00 -3.714481490e+00 -3.653197669e+00 2.90 -2.933690319e+00 -3.685588832e+00 -3.640699141e+00 2.92 -2.854993507e+00 -3.644194240e+00 -3.630527215e+00 2.94 -2.745737034e+00 -3.594830441e+00 -3.622796931e+00 2.96 -2.606307176e+00 -3.542789246e+00 -3.616793708e+00 2.98 -2.448371005e+00 -3.492006740e+00 -3.610863998e+00 3.00 -2.295127722e+00 -3.443795505e+00 -3.602338990e+00 3.02 -2.169501825e+00 -3.396195046e+00 -3.589092175e+00 3.04 -2.078263549e+00 -3.348293160e+00 -3.570234416e+00 3.06 -2.016844172e+00 -3.291396084e+00 -3.544894575e+00 3.08 -1.974707794e+00 -3.231681005e+00 -3.512437687e+00 3.10 -1.937579979e+00 -3.172704044e+00 -3.474347613e+00 3.12 -1.874344288e+00 -3.113911535e+00 -3.432696414e+00 3.14 -3.863317084e+00 -3.054428913e+00 -3.390348440e+00 3.16 -1.360219297e+01 -2.996603852e+00 -3.330960736e+00 3.18 -1.955586005e+01 -2.944030289e+00 -3.259607689e+00 3.20 -1.545777516e+01 -2.898357622e+00 -3.178492758e+00 3.22 -6.952616696e+00 -2.856028351e+00 -3.088048436e+00 3.24 -1.730229200e+00 -2.801784186e+00 -2.999365125e+00 3.26 -9.898993886e-01 -2.713387951e+00 -2.921938946e+00 3.28 -8.527417262e-01 -2.565770046e+00 -2.859353132e+00 3.30 -7.937203880e-01 -2.338586942e+00 -2.809934121e+00 3.32 -8.050316840e-01 -2.043392839e+00 -2.755966196e+00 3.34 -8.143427933e-01 -1.753048845e+00 -2.679260822e+00 3.36 -8.224700266e-01 -1.538071176e+00 -2.565586842e+00 3.38 -8.305502784e-01 -1.306477650e+00 -2.401284229e+00 3.40 -8.391408056e-01 -1.079635526e+00 -2.170410586e+00 3.42 -8.484594635e-01 -8.885173476e-01 -1.856481832e+00 3.44 -8.586521067e-01 -8.045644354e-01 -1.478596088e+00 3.46 -8.690330787e-01 -7.615137085e-01 -1.080382176e+00 3.48 -8.789456711e-01 -7.243054291e-01 -8.142947070e-01 3.50 -8.885820031e-01 -6.936976343e-01 -7.501805425e-01 3.52 -8.980568498e-01 -6.712748297e-01 -6.893757380e-01 3.54 -9.074297579e-01 -6.609239535e-01 -6.356259243e-01 3.56 -9.166547794e-01 -6.627657096e-01 -5.943802294e-01 3.58 -9.255990573e-01 -6.742844742e-01 -5.737344343e-01 3.60 -9.341651942e-01 -6.911812110e-01 -5.729970733e-01 3.62 -9.422793386e-01 -7.108652082e-01 -5.842289631e-01 3.64 -9.499323458e-01 -7.317477496e-01 -6.038075033e-01 3.66 -9.571840078e-01 -7.534415622e-01 -6.285095966e-01 3.68 -9.640891231e-01 -7.756476462e-01 -6.559932617e-01 3.70 -9.706825292e-01 -7.981246888e-01 -6.845320768e-01 3.72 -9.768306835e-01 -8.207149281e-01 -7.127527877e-01 3.74 -9.822707765e-01 -8.433351787e-01 -7.394843279e-01 3.76 -9.867391351e-01 -8.659577214e-01 -7.636776181e-01 3.78 -9.899757141e-01 -8.885905013e-01 -7.845746356e-01 3.80 -9.917235517e-01 -9.111966713e-01 -8.018311863e-01 3.82 -9.917272517e-01 -9.317696047e-01 -8.151555668e-01 3.84 -9.897402270e-01 -9.490080472e-01 -8.243163783e-01 3.86 -9.856090739e-01 -9.629792792e-01 -8.297515506e-01 3.88 -9.793823302e-01 -9.740140361e-01 -8.322827816e-01 3.90 -9.712659033e-01 -9.824028186e-01 -8.326997545e-01 3.92 -9.614825656e-01 -9.884029278e-01 -8.317751957e-01 3.94 -9.502677470e-01 -9.922473545e-01 -8.302783879e-01 3.96 -9.378725700e-01 -9.941514419e-01 -8.289802092e-01 3.98 -9.245934716e-01 -9.943171700e-01 -8.285877709e-01 4.00 -9.107867520e-01 -9.929367603e-01 -8.293513774e-01 4.02 -8.968303189e-01 -9.901952784e-01 -8.312974945e-01 4.04 -8.831202874e-01 -9.862728098e-01 -8.344348801e-01 4.06 -8.700697285e-01 -9.813459983e-01 -8.387630617e-01 4.08 -8.581050633e-01 -9.755893008e-01 -8.442776690e-01 4.10 -8.476508443e-01 -9.691940673e-01 -8.509738974e-01 4.12 -8.388519508e-01 -9.624850013e-01 -8.588480918e-01 4.14 -8.314378332e-01 -9.558168084e-01 -8.678377911e-01 4.16 -8.250224307e-01 -9.493362043e-01 -8.775362334e-01 4.18 -8.191791451e-01 -9.431125053e-01 -8.874199808e-01 4.20 -8.134706847e-01 -9.372197141e-01 -8.971654606e-01 4.22 -8.074548135e-01 -9.317369676e-01 -9.067537642e-01 4.24 -8.007130270e-01 -9.267480919e-01 -9.161939585e-01 4.26 -7.929248475e-01 -9.223411445e-01 -9.254959375e-01 4.28 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