# 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 = AuNi3 # 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 1.803231347e+02 nan nan 1.16 1.646029289e+02 nan nan 1.18 1.502345559e+02 nan nan 1.20 1.370952078e+02 nan nan 1.22 1.250721610e+02 nan nan 1.24 1.140622106e+02 nan nan 1.26 1.039730001e+02 nan nan 1.28 9.472283717e+01 1.539193598e+02 1.789620701e+02 1.30 8.623869424e+01 1.414821339e+02 1.649459107e+02 1.32 7.845454214e+01 1.300162396e+02 1.520078027e+02 1.34 7.131077272e+01 1.194409660e+02 1.400592634e+02 1.36 6.475373239e+01 1.096837698e+02 1.290212054e+02 1.38 5.873468482e+01 1.006796464e+02 1.188213671e+02 1.40 5.320872969e+01 9.236968777e+01 1.093922772e+02 1.42 4.813427174e+01 8.469960495e+01 1.006708680e+02 1.44 4.347278508e+01 7.761873941e+01 9.259922074e+01 1.46 3.918859992e+01 7.107967360e+01 8.512520827e+01 1.48 3.524895095e+01 6.503839939e+01 7.820219186e+01 1.50 3.162828413e+01 5.945472794e+01 7.178798639e+01 1.52 2.831382856e+01 5.429243074e+01 6.584396758e+01 1.54 2.528163316e+01 4.951881987e+01 6.033475060e+01 1.56 2.250890507e+01 4.510391058e+01 5.522811716e+01 1.58 1.997453723e+01 4.101962401e+01 5.049475052e+01 1.60 1.765862370e+01 3.723948110e+01 4.610771013e+01 1.62 1.554242167e+01 3.373885154e+01 4.204186620e+01 1.64 1.360860076e+01 3.050152693e+01 3.827351195e+01 1.66 1.184151723e+01 2.751643361e+01 3.478022483e+01 1.68 1.022730169e+01 2.476428344e+01 3.154328638e+01 1.70 8.753676562e+00 2.222758742e+01 2.855448461e+01 1.72 7.409603142e+00 1.989041589e+01 2.579597845e+01 1.74 6.184963924e+00 1.773813273e+01 2.324999522e+01 1.76 5.070387817e+00 1.575719041e+01 2.090049497e+01 1.78 4.057172296e+00 1.393498701e+01 1.873293996e+01 1.80 3.137224712e+00 1.225979270e+01 1.673397423e+01 1.82 2.303000553e+00 1.072072886e+01 1.489112384e+01 1.84 1.547457206e+00 9.307754019e+00 1.319262031e+01 1.86 8.640392396e-01 8.011601374e+00 1.162737237e+01 1.88 2.466886971e-01 6.823648230e+00 1.018503598e+01 1.90 -3.101436088e-01 5.735756526e+00 8.856103150e+00 1.92 -8.115095571e-01 4.740151742e+00 7.631948559e+00 1.94 -1.262007066e+00 3.829389480e+00 6.504806106e+00 1.96 -1.665850707e+00 2.996414578e+00 5.467675042e+00 1.98 -2.026954321e+00 2.234672590e+00 4.514181987e+00 2.00 -2.348996786e+00 1.538211013e+00 3.638445933e+00 2.02 -2.635439995e+00 9.017212587e-01 2.834989301e+00 2.04 -2.889495209e+00 3.205101899e-01 2.098705782e+00 2.06 -3.114071496e+00 -2.095769158e-01 1.424857935e+00 2.08 -3.311750646e+00 -6.922492188e-01 8.090654363e-01 2.10 -3.484808821e+00 -1.130854328e+00 2.472657761e-01 2.12 -3.635273509e+00 -1.528443952e+00 -2.643422287e-01 2.14 -3.764990123e+00 -1.887823954e+00 -7.293525307e-01 2.16 -3.875676872e+00 -2.211596493e+00 -1.151193704e+00 2.18 -3.968957635e+00 -2.502199963e+00 -1.533159456e+00 2.20 -4.046372088e+00 -2.761947278e+00 -1.878429062e+00 2.22 -4.109368613e+00 -2.993058502e+00 -2.190071953e+00 2.24 -4.159289264e+00 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-3.743632771e+00 -4.274697424e+00 -4.330531607e+00 2.62 -3.677810789e+00 -4.255575631e+00 -4.326724052e+00 2.64 -3.609748813e+00 -4.231030837e+00 -4.317952150e+00 2.66 -3.539690940e+00 -4.201152871e+00 -4.304855572e+00 2.68 -3.467881176e+00 -4.166124907e+00 -4.287669096e+00 2.70 -3.394567975e+00 -4.126210547e+00 -4.266340179e+00 2.72 -3.320006504e+00 -4.081745928e+00 -4.240833412e+00 2.74 -3.244458443e+00 -4.033135640e+00 -4.211143359e+00 2.76 -3.168189185e+00 -3.980833744e+00 -4.177300082e+00 2.78 -3.091462672e+00 -3.925315617e+00 -4.139370377e+00 2.80 -3.014534724e+00 -3.867045796e+00 -4.097468637e+00 2.82 -2.937646278e+00 -3.806449218e+00 -4.051760375e+00 2.84 -2.861018038e+00 -3.743892456e+00 -4.002459077e+00 2.86 -2.784847442e+00 -3.679677765e+00 -3.949819499e+00 2.88 -2.709307943e+00 -3.614048348e+00 -3.894127494e+00 2.90 -2.634549881e+00 -3.547200597e+00 -3.835686952e+00 2.92 -2.560702039e+00 -3.479298670e+00 -3.774805292e+00 2.94 -2.487873334e+00 -3.410488047e+00 -3.711779664e+00 2.96 -2.416154459e+00 -3.340906364e+00 -3.646886138e+00 2.98 -2.345619586e+00 -3.270691090e+00 -3.580373564e+00 3.00 -2.276328145e+00 -3.199984237e+00 -3.512462599e+00 3.02 -2.208326595e+00 -3.128934415e+00 -3.443349326e+00 3.04 -2.141650037e+00 -3.057696546e+00 -3.373212150e+00 3.06 -2.076323554e+00 -2.986429515e+00 -3.302220437e+00 3.08 -2.012363294e+00 -2.915292267e+00 -3.230543409e+00 3.10 -1.949777392e+00 -2.844439099e+00 -3.158357965e+00 3.12 -1.888566876e+00 -2.774015083e+00 -3.085854127e+00 3.14 -1.828726646e+00 -2.704152480e+00 -3.013236962e+00 3.16 -1.770246563e+00 -2.634968658e+00 -2.940724164e+00 3.18 -1.713112575e+00 -2.566565583e+00 -2.868539235e+00 3.20 -1.657307759e+00 -2.499030556e+00 -2.796901253e+00 3.22 -1.602813125e+00 -2.432437658e+00 -2.726013226e+00 3.24 -1.549608066e+00 -2.366849415e+00 -2.656051496e+00 3.26 -1.497670384e+00 -2.302318315e+00 -2.587158393e+00 3.28 -1.446975928e+00 -2.238887990e+00 -2.519439272e+00 3.30 -1.397497928e+00 -2.176594045e+00 -2.452963874e+00 3.32 -1.349206179e+00 -2.115464557e+00 -2.387770915e+00 3.34 -1.302066256e+00 -2.055520351e+00 -2.323874419e+00 3.36 -1.256038932e+00 -1.996775133e+00 -2.261270392e+00 3.38 -1.211079936e+00 -1.939235548e+00 -2.199942862e+00 3.40 -1.167140206e+00 -1.882901254e+00 -2.139868819e+00 3.42 -1.124166719e+00 -1.827765053e+00 -2.081021966e+00 3.44 -1.082103992e+00 -1.773813145e+00 -2.023375409e+00 3.46 -1.040896311e+00 -1.721025536e+00 -1.966903492e+00 3.48 -1.000490720e+00 -1.669376648e+00 -1.911582986e+00 3.50 -9.608407103e-01 -1.618836116e+00 -1.857393737e+00 3.52 -9.219104630e-01 -1.569369763e+00 -1.804318904e+00 3.54 -8.836793241e-01 -1.520940697e+00 -1.752344819e+00 3.56 -8.461460046e-01 -1.473510454e+00 -1.701460599e+00 3.58 -8.093318011e-01 -1.427040119e+00 -1.651657591e+00 3.60 -7.732820160e-01 -1.381491353e+00 -1.602928763e+00 3.62 -7.380647980e-01 -1.336827303e+00 -1.555268146e+00 3.64 -7.037668955e-01 -1.293013407e+00 -1.508670365e+00 3.66 -6.704863417e-01 -1.250018177e+00 -1.463130254e+00 3.68 -6.383227672e-01 -1.207814037e+00 -1.418642548e+00 3.70 -6.073666814e-01 -1.166378341e+00 -1.375201584e+00 3.72 -5.776894440e-01 -1.125694626e+00 -1.332801007e+00 3.74 -5.493355958e-01 -1.085754108e+00 -1.291433469e+00 3.76 -5.223187294e-01 -1.046557310e+00 -1.251090324e+00 3.78 -4.966213151e-01 -1.008115593e+00 -1.211761363e+00 3.80 -4.721981139e-01 -9.704522543e-01 -1.173434598e+00 3.82 -4.489822368e-01 -9.336027692e-01 -1.136096113e+00 3.84 -4.268926587e-01 -8.976138077e-01 -1.099729983e+00 3.86 -4.058420402e-01 -8.625407590e-01 -1.064318263e+00 3.88 -3.857439404e-01 -8.284437621e-01 -1.029841010e+00 3.90 -3.665187995e-01 -7.953825504e-01 -9.962763390e-01 3.92 -3.480983289e-01 -7.634107185e-01 -9.636004771e-01 3.94 -3.304281428e-01 -7.325702132e-01 -9.317878120e-01 3.96 -3.134686034e-01 -7.028868485e-01 -9.008109114e-01 3.98 -2.971939760e-01 -6.743674659e-01 -8.706405228e-01 4.00 -2.815901023e-01 -6.469990222e-01 -8.412455453e-01 4.02 -2.666509442e-01 -6.207495310e-01 -8.125929859e-01 4.04 -2.523744762e-01 -5.955704857e-01 -7.846479123e-01 4.06 -2.387584867e-01 -5.714002325e-01 -7.573734175e-01 4.08 -2.257968493e-01 -5.481677425e-01 -7.307306167e-01 4.10 -2.134767243e-01 -5.257963232e-01 -7.046786988e-01 4.12 -2.017769651e-01 -5.042069649e-01 -6.791750611e-01 4.14 -1.906677920e-01 -4.833211508e-01 -6.541755543e-01 4.16 -1.801115910e-01 -4.630631230e-01 -6.296348756e-01 4.18 -1.700645650e-01 -4.433616419e-01 -6.055071446e-01 4.20 -1.604789104e-01 -4.241513465e-01 -5.817467027e-01 4.22 -1.513052090e-01 -4.053738231e-01 -5.583091722e-01 4.24 -1.424947914e-01 -3.869784814e-01 -5.351528048e-01 4.26 -1.340019127e-01 -3.689233151e-01 -5.122401329e-01 4.28 -1.257854639e-01 -3.511755960e-01 -4.895399100e-01 4.30 -1.178107957e-01 -3.337125211e-01 -4.670292868e-01 4.32 -1.100512531e-01 -3.165218032e-01 -4.446961170e-01 4.34 -1.024884776e-01 -2.996021588e-01 -4.225412231e-01 4.36 -9.511296735e-02 -2.829636142e-01 -4.005803894e-01 4.38 -8.792418504e-02 -2.666275122e-01 -3.788457915e-01 4.40 -8.093016332e-02 -2.506260775e-01 -3.573865487e-01 4.42 -7.414659735e-02 -2.350013948e-01 -3.362681054e-01 4.44 -6.759542451e-02 -2.198036833e-01 -3.155702285e-01 4.46 -6.130295208e-02 -2.050888236e-01 -2.953835608e-01 4.48 -5.529764970e-02 -1.909152075e-01 -2.758048673e-01 4.50 -4.960778178e-02 -1.773401051e-01 -2.569313326e-01 4.52 -4.425909352e-02 -1.644158675e-01 -2.388544511e-01 4.54 -3.927277344e-02 -1.521863513e-01 -2.216541726e-01 4.56 -3.466387787e-02 -1.406839570e-01 -2.053939324e-01 4.58 -3.044034869e-02 -1.299275957e-01 -1.901171138e-01 4.60 -2.660267392e-02 -1.199217693e-01 -1.758452347e-01 4.62 -2.314414778e-02 -1.106567846e-01 -1.625779175e-01 4.64 -2.005159361e-02 -1.021099736e-01 -1.502944566e-01 4.66 -1.730590617e-02 -9.424768055e-02 -1.389566229e-01 4.68 -1.488481395e-02 -8.702772179e-02 -1.285122582e-01 4.70 -1.276348500e-02 -8.040203249e-02 -1.188992108e-01 4.72 -1.091540114e-02 -7.431924173e-02 -1.100492248e-01 4.74 -9.313529614e-03 -6.872673263e-02 -1.018914988e-01 4.76 -7.931267064e-03 -6.357306563e-02 -9.435573666e-02 4.78 -6.743148407e-03 -5.880988209e-02 -8.737450842e-02 4.80 -5.725336558e-03 -5.439244098e-02 -8.088512545e-02 4.82 -4.855922611e-03 -5.028043275e-02 -7.483143167e-02 4.84 -4.115072013e-03 -4.643851920e-02 -6.916409424e-02 4.86 -3.485052692e-03 -4.283657155e-02 -6.384100835e-02 4.88 -2.950178024e-03 -3.944965427e-02 -5.882736002e-02 4.90 -2.496692555e-03 -3.625780429e-02 -5.409537127e-02 4.92 -2.112622925e-03 -3.324564318e-02 -4.962378481e-02 4.94 -1.787611193e-03 -3.040185537e-02 -4.539713845e-02 4.96 -1.512743067e-03 -2.771856404e-02 -4.140487731e-02 4.98 -1.280379663e-03 -2.519063736e-02 -3.764035500e-02 5.00 -1.083998394e-03 -2.281496038e-02 -3.409977558e-02 5.02 -9.180462678e-04 -2.058971441e-02 -3.078114125e-02 5.04 -7.778071964e-04 -1.851370059e-02 -2.768326251e-02 5.06 -6.592837361e-04 -1.658574522e-02 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-2.577488529e-06 -1.013237323e-04 -1.516961682e-04 5.80 -2.234466971e-06 -8.771718670e-05 -1.313248071e-04 5.82 -1.938153152e-06 -7.597493257e-05 -1.137446617e-04 5.84 -1.682042155e-06 -6.583710886e-05 -9.856666456e-05 5.86 -1.460555254e-06 -5.708054008e-05 -8.545667411e-05 5.88 -1.268905154e-06 -4.951352760e-05 -7.412767633e-05 5.90 -1.102981254e-06 -4.297137626e-05 -6.433308727e-05 5.92 -9.592519081e-07 -3.731255500e-05 -5.586100481e-05 5.94 -8.346810971e-07 -3.241540348e-05 -4.852927784e-05 5.96 -7.266573522e-07 -2.817530845e-05 -4.218127856e-05 5.98 -6.329330874e-07 -2.450228324e-05 -3.668227857e-05 6.00 -5.515727906e-07 -2.131889347e-05 -3.191634306e-05