# 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 = AgCu3 # 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 1.483762512e+02 nan nan 1.16 1.356178394e+02 nan nan 1.18 1.239496656e+02 nan nan 1.20 1.132755195e+02 nan nan 1.22 1.035071515e+02 nan nan 1.24 9.456214621e+01 nan nan 1.26 8.636546949e+01 nan nan 1.28 7.885012875e+01 1.269248544e+02 1.472655401e+02 1.30 7.195558505e+01 1.168271563e+02 1.358868455e+02 1.32 6.562645897e+01 1.075187842e+02 1.253806795e+02 1.34 5.981284828e+01 9.893216331e+01 1.156756485e+02 1.36 5.447104521e+01 9.100733275e+01 1.067066045e+02 1.38 4.956322803e+01 8.369139128e+01 9.841390792e+01 1.40 4.505606031e+01 7.693698937e+01 9.074285197e+01 1.42 4.091958673e+01 7.070104901e+01 8.364347608e+01 1.44 3.712601591e+01 6.494364654e+01 7.707072121e+01 1.46 3.364693193e+01 5.962700528e+01 7.098423264e+01 1.48 3.045520436e+01 5.471506726e+01 6.534738399e+01 1.50 2.752574282e+01 5.017394376e+01 6.012624343e+01 1.52 2.483603804e+01 4.597278420e+01 5.528930704e+01 1.54 2.236612082e+01 4.208427632e+01 5.080775928e+01 1.56 2.009806274e+01 3.848527540e+01 4.665552808e+01 1.58 1.801536383e+01 3.515370687e+01 4.280895589e+01 1.60 1.610255496e+01 3.206932703e+01 3.924741440e+01 1.62 1.434511854e+01 2.921412429e+01 3.595113053e+01 1.64 1.272963359e+01 2.657232329e+01 3.290080886e+01 1.66 1.124401747e+01 2.412995789e+01 3.007775229e+01 1.68 9.877729151e+00 2.187417469e+01 2.746361572e+01 1.70 8.621785832e+00 1.979259133e+01 2.504076142e+01 1.72 7.468541597e+00 1.787290129e+01 2.279303127e+01 1.74 6.411325538e+00 1.610278166e+01 2.070637676e+01 1.76 5.444084111e+00 1.447008510e+01 1.876890867e+01 1.78 4.561110127e+00 1.296322178e+01 1.697043918e+01 1.80 3.756865728e+00 1.157156823e+01 1.530190637e+01 1.82 3.025875267e+00 1.028573069e+01 1.375498396e+01 1.84 2.362669333e+00 9.097560994e+00 1.232193296e+01 1.86 1.761778696e+00 7.999951768e+00 1.099558577e+01 1.88 1.217785768e+00 6.986537583e+00 9.769325832e+00 1.90 7.254285775e-01 6.051433427e+00 8.636992819e+00 1.92 2.797270789e-01 5.189082016e+00 7.592724284e+00 1.94 -1.239104097e-01 4.394218831e+00 6.630782917e+00 1.96 -4.896268459e-01 3.661920389e+00 5.745422252e+00 1.98 -8.210982412e-01 2.987676605e+00 4.930843778e+00 2.00 -1.121536801e+00 2.367430263e+00 4.181283728e+00 2.02 -1.393702477e+00 1.797556929e+00 3.491213116e+00 2.04 -1.639928258e+00 1.274795071e+00 2.855565383e+00 2.06 -1.862171347e+00 7.961554206e-01 2.269886276e+00 2.08 -2.062091522e+00 3.588379430e-01 1.730353031e+00 2.10 -2.241142721e+00 -3.982641023e-02 1.233684411e+00 2.12 -2.400659017e+00 -4.024057968e-01 7.770006016e-01 2.14 -2.541922017e+00 -7.313770287e-01 3.576834291e-01 2.16 -2.666204213e+00 -1.029126353e+00 -2.673766493e-02 2.18 -2.774786545e+00 -1.297950420e+00 -3.786650680e-01 2.20 -2.868950182e+00 -1.540060343e+00 -7.004727165e-01 2.22 -2.949946690e+00 -1.757587388e+00 -9.945008354e-01 2.24 -3.018957912e+00 -1.952588732e+00 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-3.301189531e+00 -3.272138731e+00 2.62 -2.943452865e+00 -3.300713773e+00 -3.288130892e+00 2.64 -2.899329075e+00 -3.294097075e+00 -3.298951446e+00 2.66 -2.853103826e+00 -3.281795169e+00 -3.304872334e+00 2.68 -2.804899579e+00 -3.264262390e+00 -3.306091957e+00 2.70 -2.754852414e+00 -3.242003628e+00 -3.302823443e+00 2.72 -2.703119032e+00 -3.215555714e+00 -3.295262154e+00 2.74 -2.649880884e+00 -3.185461448e+00 -3.283480987e+00 2.76 -2.595344415e+00 -3.152238574e+00 -3.267573074e+00 2.78 -2.539736956e+00 -3.116349693e+00 -3.247662650e+00 2.80 -2.483298765e+00 -3.078182302e+00 -3.223909966e+00 2.82 -2.426272744e+00 -3.038044861e+00 -3.196512207e+00 2.84 -2.368893954e+00 -2.996166190e+00 -3.165701259e+00 2.86 -2.311380809e+00 -2.952710603e+00 -3.131739144e+00 2.88 -2.253929069e+00 -2.907799728e+00 -3.094914680e+00 2.90 -2.196708725e+00 -2.861533948e+00 -3.055530028e+00 2.92 -2.139863291e+00 -2.814009923e+00 -3.013885293e+00 2.94 -2.083510906e+00 -2.765332701e+00 -2.970267110e+00 2.96 -2.027746750e+00 -2.715622490e+00 -2.924939599e+00 2.98 -1.972646482e+00 -2.665016997e+00 -2.878139454e+00 3.00 -1.918270273e+00 -2.613670453e+00 -2.830075958e+00 3.02 -1.864666928e+00 -2.561750261e+00 -2.780935500e+00 3.04 -1.811877482e+00 -2.509431940e+00 -2.730889103e+00 3.06 -1.759937839e+00 -2.456892842e+00 -2.680100928e+00 3.08 -1.708880214e+00 -2.404305080e+00 -2.628735666e+00 3.10 -1.658733472e+00 -2.351828336e+00 -2.576962971e+00 3.12 -1.609522606e+00 -2.299603346e+00 -2.524957666e+00 3.14 -1.561267719e+00 -2.247746916e+00 -2.472895324e+00 3.16 -1.513982848e+00 -2.196349116e+00 -2.420943917e+00 3.18 -1.467674883e+00 -2.145472902e+00 -2.369253335e+00 3.20 -1.422342776e+00 -2.095155976e+00 -2.317945293e+00 3.22 -1.377977100e+00 -2.045414363e+00 -2.267106115e+00 3.24 -1.334560008e+00 -1.996247077e+00 -2.216784142e+00 3.26 -1.292065547e+00 -1.947641257e+00 -2.166992225e+00 3.28 -1.250460293e+00 -1.899577270e+00 -2.117714526e+00 3.30 -1.209704249e+00 -1.852033404e+00 -2.068916031e+00 3.32 -1.169751955e+00 -1.804989854e+00 -2.020552900e+00 3.34 -1.130553775e+00 -1.758431805e+00 -1.972582072e+00 3.36 -1.092057369e+00 -1.712351472e+00 -1.924968980e+00 3.38 -1.054209347e+00 -1.666749054e+00 -1.877692880e+00 3.40 -1.016957191e+00 -1.621632647e+00 -1.830749699e+00 3.42 -9.802514840e-01 -1.577017251e+00 -1.784152700e+00 3.44 -9.440485356e-01 -1.532923113e+00 -1.737931402e+00 3.46 -9.083134043e-01 -1.489373640e+00 -1.692129263e+00 3.48 -8.730232681e-01 -1.446393185e+00 -1.646800582e+00 3.50 -8.381709331e-01 -1.404004919e+00 -1.602006993e+00 3.52 -8.037681124e-01 -1.362229010e+00 -1.557813845e+00 3.54 -7.698479265e-01 -1.321081232e+00 -1.514286657e+00 3.56 -7.364659535e-01 -1.280572095e+00 -1.471487871e+00 3.58 -7.036991534e-01 -1.240706534e+00 -1.429474045e+00 3.60 -6.716421802e-01 -1.201484173e+00 -1.388293646e+00 3.62 -6.404009944e-01 -1.162900158e+00 -1.347985572e+00 3.64 -6.100842456e-01 -1.124946519e+00 -1.308578424e+00 3.66 -5.807934709e-01 -1.087614036e+00 -1.270090525e+00 3.68 -5.526135495e-01 -1.050894515e+00 -1.232530522e+00 3.70 -5.256049271e-01 -1.014783348e+00 -1.195898434e+00 3.72 -4.997988078e-01 -9.792821607e-01 -1.160186938e+00 3.74 -4.751959122e-01 -9.444012633e-01 -1.125382722e+00 3.76 -4.517687077e-01 -9.101615637e-01 -1.091467793e+00 3.78 -4.294664370e-01 -8.765955440e-01 -1.058420630e+00 3.80 -4.082219350e-01 -8.437469512e-01 -1.026217166e+00 3.82 -3.879591529e-01 -8.116689668e-01 -9.948315627e-01 3.84 -3.686004436e-01 -7.804208339e-01 -9.642367936e-01 3.86 -3.500728885e-01 -7.500632064e-01 -9.344050463e-01 3.88 -3.323131958e-01 -7.206527539e-01 -9.053079637e-01 3.90 -3.152709015e-01 -6.922367477e-01 -8.769167436e-01 3.92 -2.989097753e-01 -6.648483919e-01 -8.492021221e-01 3.94 -2.832074719e-01 -6.385035283e-01 -8.221342660e-01 3.96 -2.681536040e-01 -6.131990686e-01 -7.956825954e-01 3.98 -2.537465668e-01 -5.889131952e-01 -7.698155758e-01 4.00 -2.399895643e-01 -5.656070680e-01 -7.445004989e-01 4.02 -2.268863879e-01 -5.432276029e-01 -7.197032879e-01 4.04 -2.144375087e-01 -5.217108209e-01 -6.953883552e-01 4.06 -2.026369653e-01 -5.009853214e-01 -6.715185426e-01 4.08 -1.914703691e-01 -4.809755478e-01 -6.480551759e-01 4.10 -1.809141441e-01 -4.616046544e-01 -6.249582643e-01 4.12 -1.709359164e-01 -4.427969161e-01 -6.021868795e-01 4.14 -1.614958243e-01 -4.244796942e-01 -5.796997468e-01 4.16 -1.525484437e-01 -4.065850674e-01 -5.574560834e-01 4.18 -1.440450180e-01 -3.890512172e-01 -5.354167113e-01 4.20 -1.359357354e-01 -3.718236740e-01 -5.135454646e-01 4.22 -1.281718680e-01 -3.548565002e-01 -4.918108925e-01 4.24 -1.207076715e-01 -3.381134431e-01 -4.701882289e-01 4.26 -1.135018982e-01 -3.215690506e-01 -4.486615626e-01 4.28 -1.065190048e-01 -3.052096945e-01 -4.272260896e-01 4.30 -9.973096048e-02 -2.890344007e-01 -4.058902700e-01 4.32 -9.311722343e-02 -2.730553553e-01 -3.846776599e-01 4.34 -8.666516280e-02 -2.572979315e-01 -3.636281396e-01 4.36 -8.037020258e-02 -2.418000893e-01 -3.427982506e-01 4.38 -7.423556402e-02 -2.266110263e-01 -3.222603820e-01 4.40 -6.827158252e-02 -2.117890240e-01 -3.021006346e-01 4.42 -6.249460978e-02 -1.973985193e-01 -2.824153345e-01 4.44 -5.692552860e-02 -1.835065452e-01 -2.633063510e-01 4.46 -5.158796482e-02 -1.701787906e-01 -2.448755685e-01 4.48 -4.650632324e-02 -1.574756136e-01 -2.272190208e-01 4.50 -4.170381032e-02 -1.454483867e-01 -2.104212871e-01 4.52 -3.720061892e-02 -1.341365250e-01 -1.945507335e-01 4.54 -3.301243974e-02 -1.235654691e-01 -1.796560793e-01 4.56 -2.914941009e-02 -1.137457667e-01 -1.657645501e-01 4.58 -2.561557783e-02 -1.046732531e-01 -1.528816967e-01 4.60 -2.240886619e-02 -9.633019531e-02 -1.409927012e-01 4.62 -1.952148193e-02 -8.868717643e-02 -1.300648636e-01 4.64 -1.694035746e-02 -8.170544207e-02 -1.200508658e-01 4.66 -1.464855883e-02 -7.533943847e-02 -1.108924055e-01 4.68 -1.262677911e-02 -6.953931191e-02 -1.025238414e-01 4.70 -1.085365641e-02 -6.425319209e-02 -9.487557359e-02 4.72 -9.306796752e-03 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-1.967093261e-03 5.44 -3.086789026e-05 -1.135292649e-03 -1.699477001e-03 5.46 -2.658023103e-05 -9.804888555e-04 -1.467754446e-03 5.48 -2.290240623e-05 -8.465922128e-04 -1.267323669e-03 5.50 -1.974568308e-05 -7.308792579e-04 -1.094109533e-03 5.52 -1.703452091e-05 -6.309500619e-04 -9.445207026e-04 5.54 -1.470457034e-05 -5.446984949e-04 -8.154049604e-04 5.56 -1.270098142e-05 -4.702827808e-04 -7.040065120e-04 5.58 -1.097697226e-05 -4.060971762e-04 -6.079216798e-04 5.60 -9.492617286e-06 -3.507453177e-04 -5.250604368e-04 5.62 -8.213821074e-06 -3.030155625e-04 -4.536091762e-04 5.64 -7.111448726e-06 -2.618584790e-04 -3.919970461e-04 5.66 -6.160588612e-06 -2.263665227e-04 -3.388655458e-04 5.68 -5.339926839e-06 -1.957558471e-04 -2.930413148e-04 5.70 -4.631216296e-06 -1.693501460e-04 -2.535119556e-04 5.72 -4.018825695e-06 -1.465663869e-04 -2.194046843e-04 5.74 -3.489356296e-06 -1.269022776e-04 -1.899675754e-04 5.76 -3.031315965e-06 -1.099253031e-04 -1.645531528e-04 5.78 -2.634841838e-06 -9.526316954e-05 -1.426040877e-04 5.80 -2.291464200e-06 -8.259549923e-05 -1.236407683e-04 5.82 -1.993905294e-06 -7.164663181e-05 -1.072505237e-04 5.84 -1.735907824e-06 -6.217939605e-05 -9.307830139e-05 5.86 -1.512088668e-06 -5.398973137e-05 -8.081861593e-05 5.88 -1.317814013e-06 -4.690204949e-05 -7.020860579e-05 5.90 -1.149092713e-06 -4.076523903e-05 -6.102205219e-05 5.92 -1.002485156e-06 -3.544922718e-05 -5.306423198e-05 5.94 -8.750253405e-07 -3.084202285e-05 -4.616749115e-05 5.96 -7.641541936e-07 -2.684717547e-05 -4.018744062e-05 5.98 -6.676624902e-07 -2.338159188e-05 -3.499968798e-05 6.00 -5.836419529e-07 -2.037366139e-05 -3.049703072e-05