# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1987--Ackland-G-J-Tichy-G-Vitek-V-Finnis-M-W--Au # implementation = 1987--Ackland-G-J--Au--LAMMPS--ipr2 # composition = Au # 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 A1--Cu--fcc A15--beta-W A2--W--bcc A3'--alpha-La--d A3--Mg--hcp A4--C--dc A5--beta-Sn A6--In--bct A7--alpha-As Ah--alpha-Po--sc 0.50 nan nan nan nan nan nan nan nan nan nan 0.52 nan nan nan nan nan nan nan nan nan nan 0.54 nan nan nan nan nan nan nan nan nan nan 0.56 nan nan nan nan nan nan nan nan nan nan 0.58 nan nan nan nan nan nan nan nan nan nan 0.60 nan nan nan nan nan nan nan nan nan nan 0.62 nan nan nan nan nan nan nan nan nan nan 0.64 nan nan nan nan nan nan nan nan nan nan 0.66 nan nan nan nan nan nan nan nan 8.744602935e+03 nan 0.68 nan nan nan nan nan nan nan nan 7.605088965e+03 nan 0.70 nan nan nan nan nan nan nan nan 6.598226964e+03 nan 0.72 nan nan nan nan nan 4.893358616e+03 nan nan 5.717226120e+03 nan 0.74 nan nan nan nan nan 4.251998920e+03 nan nan 4.956507007e+03 nan 0.76 nan nan nan nan nan 3.717352654e+03 nan nan 4.306244304e+03 nan 0.78 nan nan nan nan nan 3.271427683e+03 nan nan 3.754331303e+03 nan 0.80 nan nan nan 8.575524234e+03 8.577758972e+03 2.896698840e+03 nan nan 3.286708408e+03 5.224247243e+03 0.82 nan 4.609728635e+03 nan 7.646572322e+03 7.649641306e+03 2.576961172e+03 4.679135675e+03 nan 2.889302149e+03 4.573241476e+03 0.84 nan 4.123313165e+03 nan 6.838799083e+03 6.841708366e+03 2.302593217e+03 4.126164368e+03 nan 2.541686641e+03 4.014442605e+03 0.86 nan 3.672680212e+03 nan 6.136698540e+03 6.138739444e+03 2.065744397e+03 3.639233449e+03 nan 2.235594525e+03 3.537051452e+03 0.88 nan 3.260571071e+03 nan 5.524407268e+03 5.525275979e+03 1.860279931e+03 3.213004900e+03 nan 1.967376156e+03 3.129689995e+03 0.90 nan 2.887125970e+03 nan 4.983590389e+03 4.983854526e+03 1.681509771e+03 2.841764415e+03 nan 1.733840733e+03 2.779885109e+03 0.92 4.504358690e+03 2.536799295e+03 3.993181224e+03 4.504629674e+03 4.504765499e+03 1.525951751e+03 2.519693365e+03 4.117179785e+03 1.531826049e+03 2.478714096e+03 0.94 4.078971127e+03 2.209946157e+03 3.576413000e+03 4.079304556e+03 4.079441024e+03 1.388050076e+03 2.239997663e+03 3.726772234e+03 1.357073233e+03 2.218706187e+03 0.96 3.700359942e+03 1.911848740e+03 3.199017534e+03 3.700482746e+03 3.700549534e+03 1.263816688e+03 1.994435188e+03 3.379352086e+03 1.205468196e+03 1.993393985e+03 0.98 3.362455127e+03 1.645175924e+03 2.860180233e+03 3.362307751e+03 3.362280050e+03 1.151790219e+03 1.775503619e+03 3.065859824e+03 1.074382786e+03 1.797250218e+03 1.00 3.060179105e+03 1.410399193e+03 2.558130497e+03 3.059878744e+03 3.059755323e+03 1.050590819e+03 1.581342365e+03 2.763986227e+03 9.613688093e+02 1.625705512e+03 1.02 2.770019360e+03 1.204029996e+03 2.277417205e+03 2.769729346e+03 2.769558560e+03 9.525745765e+02 1.403688026e+03 2.468743421e+03 8.587354617e+02 1.465606846e+03 1.04 2.478545595e+03 1.022771909e+03 2.008241155e+03 2.478372093e+03 2.478230477e+03 8.533387899e+02 1.236775179e+03 2.181235136e+03 7.607550514e+02 1.309309179e+03 1.06 2.195008782e+03 8.654551927e+02 1.755611560e+03 2.195008678e+03 2.194941542e+03 7.560970972e+02 1.081258635e+03 1.908950137e+03 6.689042845e+02 1.160822625e+03 1.08 1.925843479e+03 7.303818894e+02 1.523119955e+03 1.925988015e+03 1.925998513e+03 6.634635390e+02 9.388988354e+02 1.656670007e+03 5.842897218e+02 1.021573309e+03 1.10 1.675382088e+03 6.154411576e+02 1.312805883e+03 1.675575171e+03 1.675650588e+03 5.773365467e+02 8.106489106e+02 1.427106405e+03 5.075429098e+02 8.920071049e+02 1.12 1.446943339e+03 5.183728200e+02 1.125326497e+03 1.447138068e+03 1.447267629e+03 4.988275020e+02 6.967289160e+02 1.221852027e+03 4.388645903e+02 7.737808120e+02 1.14 1.242167664e+03 4.370314825e+02 9.603997339e+02 1.242335453e+03 1.242489154e+03 4.284228752e+02 5.968306459e+02 1.041080204e+03 3.781621866e+02 6.677307874e+02 1.16 1.061311796e+03 3.693585396e+02 8.170502636e+02 1.061404453e+03 1.061531946e+03 3.661795891e+02 5.102800941e+02 8.838877012e+02 3.251085419e+02 5.739921815e+02 1.18 9.035313721e+02 3.134307627e+02 6.936987202e+02 9.035306087e+02 9.035952706e+02 3.117983471e+02 4.361827891e+02 7.486307893e+02 2.792442415e+02 4.920863980e+02 1.20 7.672975861e+02 2.676120587e+02 5.884592397e+02 7.672227120e+02 7.672232580e+02 2.647535104e+02 3.734553163e+02 6.332593052e+02 2.400203540e+02 4.211621636e+02 1.22 6.507490944e+02 2.304976017e+02 4.993439436e+02 6.506112285e+02 6.505585324e+02 2.243681392e+02 3.204004083e+02 5.355893043e+02 2.068054568e+02 3.601845981e+02 1.24 5.518037879e+02 2.004228038e+02 4.244563280e+02 5.516161296e+02 5.515254341e+02 1.899184052e+02 2.753437733e+02 4.534003581e+02 1.785791008e+02 3.080618801e+02 1.26 4.682571330e+02 1.753774803e+02 3.619940818e+02 4.680761747e+02 4.679706077e+02 1.606840750e+02 2.372146303e+02 3.845610810e+02 1.544284012e+02 2.637824497e+02 1.28 3.979818673e+02 1.545617485e+02 3.102736275e+02 3.978939116e+02 3.977970539e+02 1.359888290e+02 2.050466401e+02 3.271279676e+02 1.338240315e+02 2.263676606e+02 1.30 3.391116119e+02 1.374010732e+02 2.678158569e+02 3.391562906e+02 3.390869675e+02 1.152283837e+02 1.779663505e+02 2.793922707e+02 1.162629321e+02 1.948626107e+02 1.32 2.900296121e+02 1.234042518e+02 2.326098618e+02 2.901580478e+02 2.901246014e+02 9.783057759e+01 1.552047091e+02 2.398663106e+02 1.013045108e+02 1.684083848e+02 1.34 2.492491046e+02 1.121547533e+02 2.029849558e+02 2.493944802e+02 2.493972408e+02 8.326423644e+01 1.360974313e+02 2.072445042e+02 8.856640624e+01 1.462229653e+02 1.36 2.154633329e+02 1.028268100e+02 1.781064276e+02 2.155748939e+02 2.156058650e+02 7.109636270e+01 1.201052507e+02 1.804152853e+02 7.771351679e+01 1.276245992e+02 1.38 1.875636778e+02 9.452570240e+01 1.573243673e+02 1.876175596e+02 1.876681802e+02 6.097954991e+01 1.067903932e+02 1.584630368e+02 6.847675429e+01 1.120412386e+02 1.40 1.645974815e+02 8.714147347e+01 1.400553804e+02 1.646106280e+02 1.646788023e+02 5.261976992e+01 9.576111229e+01 1.406500017e+02 6.062890852e+01 9.899129068e+01 1.42 1.458121685e+02 8.058974790e+01 1.257588119e+02 1.457991251e+02 1.458785608e+02 4.575336120e+01 8.667006420e+01 1.263892744e+02 5.397209222e+01 8.810446093e+01 1.44 1.306042799e+02 7.476974352e+01 1.139945939e+02 1.305669049e+02 1.306451061e+02 4.017389968e+01 7.900085526e+01 1.152151269e+02 4.834251182e+01 7.908055953e+01 1.46 1.184735392e+02 6.957864609e+01 1.044103523e+02 1.184240375e+02 1.184857811e+02 3.571700517e+01 7.247788615e+01 1.067463705e+02 4.362007647e+01 7.165802434e+01 1.48 1.090650705e+02 6.492915074e+01 9.672624838e+01 1.090128433e+02 1.090399527e+02 3.224005934e+01 6.697253018e+01 9.982419554e+01 3.971524129e+01 6.565912842e+01 1.50 1.021417480e+02 6.075540541e+01 9.074421240e+01 1.020902545e+02 1.020734747e+02 2.963665282e+01 6.239684726e+01 9.394756457e+01 3.655932193e+01 6.096932333e+01 1.52 9.655804218e+01 5.690596828e+01 8.567931218e+01 9.651944361e+01 9.646693115e+01 2.750703695e+01 5.837438404e+01 8.872390480e+01 3.385628508e+01 5.700969076e+01 1.54 9.126492411e+01 5.325810988e+01 8.082887694e+01 9.125887123e+01 9.118993522e+01 2.549276175e+01 5.456221081e+01 8.379321262e+01 3.133061269e+01 5.324650183e+01 1.56 8.626476443e+01 4.981722653e+01 7.620470135e+01 8.629034915e+01 8.621881084e+01 2.359409373e+01 5.095333472e+01 7.914381330e+01 2.896604770e+01 4.969288581e+01 1.58 8.156221766e+01 4.657049434e+01 7.182741649e+01 8.159679586e+01 8.152917464e+01 2.181706066e+01 4.754065559e+01 7.476047643e+01 2.675156057e+01 4.636113453e+01 1.60 7.713713520e+01 4.349591455e+01 6.769418349e+01 7.715381977e+01 7.709341085e+01 2.015635487e+01 4.431843758e+01 7.061271500e+01 2.467865308e+01 4.324144380e+01 1.62 7.295380484e+01 4.056786439e+01 6.377841984e+01 7.294007985e+01 7.288972637e+01 1.859609460e+01 4.128059627e+01 6.666582420e+01 2.273927695e+01 4.031267389e+01 1.64 6.898053726e+01 3.776919252e+01 6.006350324e+01 6.894042870e+01 6.890302393e+01 1.713155119e+01 3.842672177e+01 6.289092550e+01 2.092673512e+01 3.756084567e+01 1.66 6.518943912e+01 3.509460372e+01 5.654599271e+01 6.513556311e+01 6.511349357e+01 1.577218562e+01 3.575399523e+01 5.926347982e+01 1.923006309e+01 3.497959980e+01 1.68 6.155363130e+01 3.254155248e+01 5.322326268e+01 6.149872559e+01 6.149383217e+01 1.452642919e+01 3.325012248e+01 5.576658516e+01 1.763577281e+01 3.256265986e+01 1.70 5.805270071e+01 3.010865872e+01 5.008583009e+01 5.800838932e+01 5.802252905e+01 1.338739878e+01 3.089782611e+01 5.240176034e+01 1.613137754e+01 3.029995704e+01 1.72 5.466959361e+01 2.780169791e+01 4.711025213e+01 5.464967767e+01 5.468502060e+01 1.234052597e+01 2.868459900e+01 4.918124545e+01 1.470915159e+01 2.817953062e+01 1.74 5.139807675e+01 2.563455544e+01 4.427217363e+01 5.141835301e+01 5.147660793e+01 1.137125051e+01 2.660022363e+01 4.611731945e+01 1.336893885e+01 2.618944880e+01 1.76 4.825848427e+01 2.361250663e+01 4.154735145e+01 4.832518462e+01 4.840333816e+01 1.046508489e+01 2.463367474e+01 4.322271886e+01 1.211522063e+01 2.431782733e+01 1.78 4.527941259e+01 2.172887476e+01 3.891354159e+01 4.538222627e+01 4.547140342e+01 9.608135111e+00 2.277461220e+01 4.050166816e+01 1.094824695e+01 2.255305520e+01 1.80 4.248329695e+01 1.997057801e+01 3.636736007e+01 4.260030424e+01 4.268947722e+01 8.791753140e+00 2.101643597e+01 3.794509555e+01 9.864154769e+00 2.088579174e+01 1.82 3.986166882e+01 1.832484632e+01 3.391651737e+01 3.997298628e+01 4.005452877e+01 8.010474286e+00 1.935520644e+01 3.553555854e+01 8.857375588e+00 1.930801225e+01 1.84 3.739814406e+01 1.677898385e+01 3.157541961e+01 3.749054376e+01 3.756078176e+01 7.263181520e+00 1.779146997e+01 3.325628694e+01 7.921388018e+00 1.781155315e+01 1.86 3.507504475e+01 1.532164604e+01 2.935514535e+01 3.514154892e+01 3.519762502e+01 6.554199682e+00 1.632593530e+01 3.109603587e+01 7.046248987e+00 1.638694964e+01 1.88 3.287499636e+01 1.394325916e+01 2.726317769e+01 3.291467944e+01 3.295371014e+01 5.888989123e+00 1.495698845e+01 2.904649188e+01 6.222105821e+00 1.502669504e+01 1.90 3.078507560e+01 1.263659003e+01 2.529880905e+01 3.080022811e+01 3.081950733e+01 5.268866237e+00 1.367779151e+01 2.710130211e+01 5.443208208e+00 1.373545253e+01 1.92 2.879862861e+01 1.139553361e+01 2.345071099e+01 2.878992746e+01 2.878631037e+01 4.689856606e+00 1.247982261e+01 2.525213148e+01 4.708184907e+00 1.252159909e+01 1.94 2.691204541e+01 1.021463111e+01 2.170699451e+01 2.687848416e+01 2.684921362e+01 4.147719354e+00 1.135449410e+01 2.348944990e+01 4.018040480e+00 1.139137221e+01 1.96 2.511769901e+01 9.088816024e+00 2.005721772e+01 2.506054442e+01 2.500618911e+01 3.638246690e+00 1.029321351e+01 2.180616166e+01 3.372465597e+00 1.033855796e+01 1.98 2.340653841e+01 8.015712991e+00 1.849351792e+01 2.333064129e+01 2.325603552e+01 3.157281805e+00 9.287402657e+00 2.019862962e+01 2.771201926e+00 9.352528918e+00 2.00 2.176957427e+01 6.994709287e+00 1.700992630e+01 2.168254918e+01 2.159589766e+01 2.702157543e+00 8.330023561e+00 1.866402137e+01 2.213383668e+00 8.422693656e+00 2.02 2.019788445e+01 6.028781328e+00 1.560521764e+01 2.010782375e+01 2.001780624e+01 2.273732944e+00 7.418899180e+00 1.719811336e+01 1.697999932e+00 7.538505572e+00 2.04 1.868261854e+01 5.122186558e+00 1.427960947e+01 1.859783744e+01 1.851305635e+01 1.873727532e+00 6.553402620e+00 1.579448475e+01 1.222828463e+00 6.689466895e+00 2.06 1.721849108e+01 4.278238079e+00 1.303248395e+01 1.714676471e+01 1.707503835e+01 1.503133071e+00 5.732798159e+00 1.445121138e+01 7.836666731e-01 5.869058041e+00 2.08 1.581221693e+01 3.499958729e+00 1.186025562e+01 1.575818679e+01 1.570415664e+01 1.160322753e+00 4.953760825e+00 1.317172885e+01 3.771417261e-01 5.084250280e+00 2.10 1.447307690e+01 2.786030510e+00 1.075872314e+01 1.443769903e+01 1.440232116e+01 8.431410349e-01 4.212529502e+00 1.196020365e+01 2.583147699e-03 4.344905612e+00 2.12 1.320950442e+01 2.134360118e+00 9.723716490e+00 1.319044617e+01 1.317138791e+01 5.494792141e-01 3.508459747e+00 1.081861545e+01 -3.398010728e-01 3.660042026e+00 2.14 1.202131591e+01 1.540719347e+00 8.751068963e+00 1.201565425e+01 1.200999259e+01 2.772628631e-01 2.843824309e+00 9.743554497e+00 -6.500610752e-01 3.030064491e+00 2.16 1.090332990e+01 1.000021479e+00 7.836002000e+00 1.090874610e+01 1.091416231e+01 2.414586108e-02 2.220589032e+00 8.730440013e+00 -9.297813800e-01 2.450384629e+00 2.18 9.850310912e+00 5.075410143e-01 6.973338926e+00 9.864962098e+00 9.879613285e+00 -2.123166759e-01 1.638089295e+00 7.774804876e+00 -1.181646618e+00 1.916365319e+00 2.20 8.857031790e+00 5.872089520e-02 6.159011524e+00 8.879598810e+00 8.902165829e+00 -4.336019708e-01 1.094941565e+00 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