# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1 # composition = AuTa3 # 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 2024-04-11 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 nan nan nan 0.98 nan nan nan 1.00 nan nan nan 1.02 nan nan nan 1.04 nan nan nan 1.06 nan nan nan 1.08 nan nan nan 1.10 nan nan nan 1.12 nan nan nan 1.14 4.811707614e+02 nan nan 1.16 4.442560594e+02 nan nan 1.18 4.103151698e+02 nan nan 1.20 3.790907768e+02 nan nan 1.22 3.503448030e+02 nan nan 1.24 3.238576647e+02 nan nan 1.26 2.994280853e+02 nan nan 1.28 2.768724107e+02 4.199041531e+02 4.788395228e+02 1.30 2.560236641e+02 3.903726238e+02 4.458880666e+02 1.32 2.367308206e+02 3.629991630e+02 4.153025285e+02 1.34 2.188584155e+02 3.376142345e+02 3.868921696e+02 1.36 2.022863092e+02 3.140567576e+02 3.604788615e+02 1.38 1.869093756e+02 2.921753503e+02 3.358997760e+02 1.40 1.726367021e+02 2.718304777e+02 3.130094077e+02 1.42 1.593896912e+02 2.528960009e+02 2.916800333e+02 1.44 1.470988104e+02 2.352596424e+02 2.718002213e+02 1.46 1.356997215e+02 2.188224222e+02 2.532714040e+02 1.48 1.251302307e+02 2.034972277e+02 2.360033879e+02 1.50 1.153290649e+02 1.892067076e+02 2.199104515e+02 1.52 1.062362997e+02 1.758808070e+02 2.049093714e+02 1.54 9.779452020e+01 1.634544441e+02 1.909194911e+02 1.56 8.994996758e+01 1.518658645e+02 1.778639564e+02 1.58 8.265340599e+01 1.410559713e+02 1.656710952e+02 1.60 7.586067506e+01 1.309685163e+02 1.542753138e+02 1.62 6.953290095e+01 1.215507106e+02 1.436173542e+02 1.64 6.363632140e+01 1.127537775e+02 1.336440609e+02 1.66 5.814170089e+01 1.045331804e+02 1.243078618e+02 1.68 5.302338686e+01 9.684849690e+01 1.155660789e+02 1.70 4.825819443e+01 8.966303322e+01 1.073801107e+02 1.72 4.382441592e+01 8.294328688e+01 9.971454955e+01 1.74 3.970119888e+01 7.665834720e+01 9.253635488e+01 1.76 3.586832731e+01 7.077931815e+01 8.581424103e+01 1.78 3.230624359e+01 6.527884816e+01 7.951838204e+01 1.80 2.899936976e+01 6.013084345e+01 7.362041582e+01 1.82 2.594232163e+01 5.531040956e+01 6.809362029e+01 1.84 2.312636897e+01 5.079400121e+01 6.291310185e+01 1.86 2.053589507e+01 4.655968682e+01 5.805587974e+01 1.88 1.815323144e+01 4.258740482e+01 5.350082303e+01 1.90 1.596199255e+01 3.885911872e+01 4.922846204e+01 1.92 1.394705923e+01 3.535883523e+01 4.522073097e+01 1.94 1.209454044e+01 3.207249305e+01 4.146070449e+01 1.96 1.039170063e+01 2.899026269e+01 3.793237909e+01 1.98 8.826851948e+00 2.611264124e+01 3.462053046e+01 2.00 7.389223425e+00 2.343879716e+01 3.151065517e+01 2.02 6.068832337e+00 2.096253106e+01 2.859381287e+01 2.04 4.856389055e+00 1.867181460e+01 2.586505782e+01 2.06 3.743256923e+00 1.655465657e+01 2.331432298e+01 2.08 2.721463175e+00 1.459917786e+01 2.093726790e+01 2.10 1.783729275e+00 1.279378716e+01 1.872304580e+01 2.12 9.234787417e-01 1.112738741e+01 1.666143402e+01 2.14 1.347959746e-01 9.589551586e+00 1.474320400e+01 2.16 -5.876596569e-01 8.170632603e+00 1.295996227e+01 2.18 -1.248756032e+00 6.861799251e+00 1.130395152e+01 2.20 -1.852975356e+00 5.655008517e+00 9.767838302e+00 2.22 -2.404470315e+00 4.542932685e+00 8.344527740e+00 2.24 -2.907093138e+00 3.518859794e+00 7.027045787e+00 2.26 -3.364411610e+00 2.576583235e+00 5.808512024e+00 2.28 -3.779724411e+00 1.710293964e+00 4.682195992e+00 2.30 -4.156080641e+00 9.144881909e-01 3.641622744e+00 2.32 -4.496302347e+00 1.839027940e-01 2.680682571e+00 2.34 -4.803006820e+00 -4.865125228e-01 1.793708959e+00 2.36 -5.078626219e+00 -1.101584409e+00 9.755092811e-01 2.38 -5.325423589e+00 -1.665874116e+00 2.213523237e-01 2.40 -5.545505461e+00 -2.183621156e+00 -4.730721669e-01 2.42 -5.740831639e+00 -2.658692246e+00 -1.111705096e+00 2.44 -5.913222813e+00 -3.094552118e+00 -1.698168351e+00 2.46 -6.064366485e+00 -3.494264211e+00 -2.235807707e+00 2.48 -6.195685718e+00 -3.860519598e+00 -2.727727348e+00 2.50 -6.308472675e+00 -4.195685519e+00 -3.176817899e+00 2.52 -6.404309236e+00 -4.501862488e+00 -3.585780569e+00 2.54 -6.484627240e+00 -4.780940332e+00 -3.957149449e+00 2.56 -6.550700638e+00 -5.034646589e+00 -4.293313242e+00 2.58 -6.603652628e+00 -5.264583801e+00 -4.596537043e+00 2.60 -6.644464417e+00 -5.472254441e+00 -4.868984211e+00 2.62 -6.673986780e+00 -5.659074095e+00 -5.112737525e+00 2.64 -6.692907236e+00 -5.826375207e+00 -5.329817752e+00 2.66 -6.701343463e+00 -5.975405137e+00 -5.522196952e+00 2.68 -6.699161625e+00 -6.107288541e+00 -5.691803795e+00 2.70 -6.686306135e+00 -6.222914197e+00 -5.840519165e+00 2.72 -6.662801803e+00 -6.323329626e+00 -5.970162328e+00 2.74 -6.628751090e+00 -6.409641349e+00 -6.082470254e+00 2.76 -6.584328316e+00 -6.482854223e+00 -6.179061285e+00 2.78 -6.529769220e+00 -6.543875056e+00 -6.261169510e+00 2.80 -6.465355852e+00 -6.593525650e+00 -6.330294427e+00 2.82 -6.391398429e+00 -6.632555000e+00 -6.387935165e+00 2.84 -6.308227806e+00 -6.661650700e+00 -6.435399637e+00 2.86 -6.216227572e+00 -6.681397889e+00 -6.473821986e+00 2.88 -6.115641660e+00 -6.692058453e+00 -6.504183418e+00 2.90 -6.006683264e+00 -6.693725331e+00 -6.527332759e+00 2.92 -5.889568023e+00 -6.686478434e+00 -6.544004656e+00 2.94 -5.764525321e+00 -6.670461749e+00 -6.554715867e+00 2.96 -5.631817360e+00 -6.645873209e+00 -6.559498394e+00 2.98 -5.491764641e+00 -6.612952264e+00 -6.558344769e+00 3.00 -5.344775315e+00 -6.571967634e+00 -6.551311819e+00 3.02 -5.191369977e+00 -6.523205610e+00 -6.538502673e+00 3.04 -5.032207863e+00 -6.466959437e+00 -6.520052636e+00 3.06 -4.868109199e+00 -6.403520355e+00 -6.496117809e+00 3.08 -4.700056923e+00 -6.333170971e+00 -6.466865549e+00 3.10 -4.529179643e+00 -6.256215996e+00 -6.432466194e+00 3.12 -4.356714822e+00 -6.172957942e+00 -6.393085839e+00 3.14 -4.183954194e+00 -6.083564957e+00 -6.348880170e+00 3.16 -4.012176958e+00 -5.988213546e+00 -6.299989487e+00 3.18 -3.842579206e+00 -5.887104743e+00 -6.246540052e+00 3.20 -3.676209338e+00 -5.780476340e+00 -6.188690865e+00 3.22 -3.513918445e+00 -5.668615904e+00 -6.126491728e+00 3.24 -3.356332019e+00 -5.551872294e+00 -6.059951134e+00 3.26 -3.203845524e+00 -5.430657919e+00 -5.989069440e+00 3.28 -3.056642356e+00 -5.305447584e+00 -5.913841199e+00 3.30 -2.914729511e+00 -5.176782013e+00 -5.834258353e+00 3.32 -2.777984276e+00 -5.045254403e+00 -5.750313771e+00 3.34 -2.646204724e+00 -4.911488365e+00 -5.662004541e+00 3.36 -2.519157335e+00 -4.776110361e+00 -5.569334455e+00 3.38 -2.396616511e+00 -4.639719768e+00 -5.472311983e+00 3.40 -2.278392506e+00 -4.502860110e+00 -5.370949531e+00 3.42 -2.164346317e+00 -4.365994832e+00 -5.265267073e+00 3.44 -2.054391946e+00 -4.229490143e+00 -5.155290262e+00 3.46 -1.948488055e+00 -4.093606298e+00 -5.041047599e+00 3.48 -1.846622280e+00 -3.958497434e+00 -4.922567684e+00 3.50 -1.748792011e+00 -3.824219085e+00 -4.799877194e+00 3.52 -1.654985433e+00 -3.690741824e+00 -4.673000256e+00 3.54 -1.565165984e+00 -3.557969292e+00 -4.541959823e+00 3.56 -1.479262300e+00 -3.425758901e+00 -4.406781636e+00 3.58 -1.397164543e+00 -3.293943834e+00 -4.267501147e+00 3.60 -1.318726826e+00 -3.162355275e+00 -4.124173660e+00 3.62 -1.243774642e+00 -3.030844057e+00 -3.976887609e+00 3.64 -1.172115666e+00 -2.899301144e+00 -3.825780560e+00 3.66 -1.103552185e+00 -2.767676324e+00 -3.671057092e+00 3.68 -1.037893511e+00 -2.635994472e+00 -3.513007248e+00 3.70 -9.749670289e-01 -2.504368551e+00 -3.352023834e+00 3.72 -9.146268717e-01 -2.373008432e+00 -3.188616508e+00 3.74 -8.567595989e-01 -2.242224515e+00 -3.023420463e+00 3.76 -8.012865873e-01 -2.112425269e+00 -2.857197628e+00 3.78 -7.481631587e-01 -1.984108084e+00 -2.690828733e+00 3.80 -6.973747427e-01 -1.857843342e+00 -2.525295374e+00 3.82 -6.489306139e-01 -1.734252272e+00 -2.361652267e+00 3.84 -6.028559268e-01 -1.613979904e+00 -2.200991103e+00 3.86 -5.591828913e-01 -1.497665112e+00 -2.044398598e+00 3.88 -5.179419627e-01 -1.385910193e+00 -1.892912251e+00 3.90 -4.791538569e-01 -1.279252600e+00 -1.747477767e+00 3.92 -4.428230483e-01 -1.178141220e+00 -1.608911986e+00 3.94 -4.089331876e-01 -1.082919050e+00 -1.477874463e+00 3.96 -3.774446210e-01 -9.938133074e-01 -1.354849725e+00 3.98 -3.482939544e-01 -9.109331721e-01 -1.240140883e+00 4.00 -3.213954036e-01 -8.342745060e-01 -1.133874022e+00 4.02 -2.966435007e-01 -7.637303170e-01 -1.036011695e+00 4.04 -2.739165729e-01 -6.991053421e-01 -9.463732306e-01 4.06 -2.530815400e-01 -6.401330407e-01 -8.646592711e-01 4.08 -2.339977024e-01 -5.864934043e-01 -7.904780765e-01 4.10 -2.165206895e-01 -5.378302595e-01 -7.233714993e-01 4.12 -2.005061001e-01 -4.937671007e-01 -6.628390342e-01 4.14 -1.858125789e-01 -4.539208056e-01 -6.083588957e-01 4.16 -1.723042998e-01 -4.179129585e-01 -5.594055800e-01 4.18 -1.598528874e-01 -3.853786960e-01 -5.154637730e-01 4.20 -1.483388399e-01 -3.559732005e-01 -4.760387717e-01 4.22 -1.376525375e-01 -3.293760609e-01 -4.406637757e-01 4.24 -1.276949198e-01 -3.052937790e-01 -4.089045105e-01 4.26 -1.183779113e-01 -2.834607178e-01 -3.803616748e-01 4.28 -1.096246513e-01 -2.636387853e-01 -3.546716884e-01 4.30 -1.013695636e-01 -2.456161410e-01 -3.315061702e-01 4.32 -9.355827497e-02 -2.292051951e-01 -3.105705169e-01 4.34 -8.614736765e-02 -2.142401584e-01 -2.916018829e-01 4.36 -7.910393116e-02 -2.005743821e-01 -2.743668048e-01 4.38 -7.240487847e-02 -1.880776956e-01 -2.586586514e-01 4.40 -6.603596269e-02 -1.766339187e-01 -2.442950372e-01 4.42 -5.999051675e-02 -1.661386648e-01 -2.311152926e-01 4.44 -5.426790552e-02 -1.564974685e-01 -2.189780567e-01 4.46 -4.887174996e-02 -1.476241975e-01 -2.077590342e-01 4.48 -4.380803989e-02 -1.394404789e-01 -1.973489367e-01 4.50 -3.908324557e-02 -1.318745039e-01 -1.876515363e-01 4.52 -3.470258578e-02 -1.248603840e-01 -1.785820112e-01 4.54 -3.066860906e-02 -1.183377477e-01 -1.700658655e-01 4.56 -2.698017690e-02 -1.122512169e-01 -1.620372236e-01 4.58 -2.363148275e-02 -1.065505402e-01 -1.544377299e-01 4.60 -2.061266426e-02 -1.011902813e-01 -1.472156111e-01 4.62 -1.791036064e-02 -9.612929339e-02 -1.403248797e-01 4.64 -1.550756932e-02 -9.133050828e-02 -1.337246690e-01 4.66 -1.338448251e-02 -8.676071851e-02 -1.273786957e-01 4.68 -1.151939662e-02 -8.239036559e-02 -1.212548407e-01 4.70 -9.889600097e-03 -7.819334807e-02 -1.153248416e-01 4.72 -8.472170905e-03 -7.414685910e-02 -1.095640866e-01 4.74 -7.244642401e-03 -7.023125942e-02 -1.039514998e-01 4.76 -6.185519919e-03 -6.642998690e-02 -9.846950375e-02 4.78 -5.274649270e-03 -6.272949873e-02 -9.310404166e-02 4.80 -4.493450872e-03 -5.911923653e-02 -8.784463774e-02 4.82 -3.825040294e-03 -5.559160417e-02 -8.268446809e-02 4.84 -3.254258526e-03 -5.214192988e-02 -7.762041184e-02 4.86 -2.767634751e-03 -4.876840323e-02 -7.265304673e-02 4.88 -2.353302067e-03 -4.547195228e-02 -6.778654837e-02 4.90 -2.000883209e-03 -4.225605050e-02 -6.302847518e-02 4.92 -1.701359757e-03 -3.912642946e-02 -5.838940255e-02 4.94 -1.446935089e-03 -3.609069106e-02 -5.388239759e-02 4.96 -1.230898349e-03 -3.315782206e-02 -4.952233944e-02 4.98 -1.047494317e-03 -3.033763356e-02 -4.532511925e-02 5.00 -8.918022582e-04 -2.764014185e-02 -4.130674845e-02 5.02 -7.596253963e-04 -2.507493701e-02 -3.748244054e-02 5.04 -6.473916549e-04 -2.265058756e-02 -3.386574355e-02 5.06 -5.520656081e-04 -2.037412306e-02 -3.046778530e-02 5.08 -4.710711666e-04 -1.825063257e-02 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-1.575706962e-03 -2.358885830e-03 5.46 -2.658378595e-05 -1.358848283e-03 -2.034251405e-03 5.48 -2.302560290e-05 -1.171643795e-03 -1.754004675e-03 5.50 -1.995847719e-05 -1.010159770e-03 -1.512258767e-03 5.52 -1.731265068e-05 -8.709444422e-04 -1.303847690e-03 5.54 -1.502854611e-05 -7.509803464e-04 -1.124254829e-03 5.56 -1.305524395e-05 -6.476381383e-04 -9.695453300e-04 5.58 -1.134919226e-05 -5.586329185e-04 -8.362986489e-04 5.60 -9.873113212e-06 -4.819836899e-04 -7.215494220e-04 5.62 -8.595075559e-06 -4.159762695e-04 -6.227316057e-04 5.64 -7.487707630e-06 -3.591297560e-04 -5.376283124e-04 5.66 -6.527528949e-06 -3.101664984e-04 -4.643268789e-04 5.68 -5.694382187e-06 -2.679854102e-04 -4.011789348e-04 5.70 -4.970950124e-06 -2.316384089e-04 -3.467651433e-04 5.72 -4.342344615e-06 -2.003097246e-04 -2.998642351e-04 5.74 -3.795756531e-06 -1.732978116e-04 -2.594259337e-04 5.76 -3.320157437e-06 -1.499995918e-04 -2.245473722e-04 5.78 -2.906045194e-06 -1.298967744e-04 -1.944526146e-04 5.80 -2.545226864e-06 -1.125440074e-04 -1.684749203e-04 5.82 -2.230633281e-06 -9.755863891e-05 -1.460414163e-04 5.84 -1.956160592e-06 -8.461188486e-05 -1.266598755e-04 5.86 -1.716534735e-06 -7.342122124e-05 -1.099073277e-04 5.88 -1.507195453e-06 -6.374383905e-05 -9.542026070e-05 5.90 -1.324196947e-06 -5.537101901e-05 -8.288619926e-05 5.92 -1.164122731e-06 -4.812330048e-05 -7.203647207e-05 5.94 -1.024012615e-06 -4.184633484e-05 -6.264000388e-05 5.96 -9.013000212e-07 -3.640732810e-05 -5.449798960e-05 5.98 -7.937581477e-07 -3.169198987e-05 -4.743932647e-05 6.00 -6.994537055e-07 -2.760191722e-05 -4.131669734e-05