# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1989--Adams-J-B-Foiles-S-M-Wolfer-W-G--Ag-Au-Cu-Ni-Pd-Pt # implementation = 1989--Adams-J-B--Ag-Au-Cu-Ni-Pd-Pt--LAMMPS--ipr1 # composition = Ag3Pd # 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 5.421068696e+02 nan nan 0.92 4.944669673e+02 nan nan 0.94 4.520651270e+02 nan nan 0.96 4.142225306e+02 nan nan 0.98 3.803517735e+02 5.430414965e+02 nan 1.00 3.499451685e+02 4.990043985e+02 5.614288798e+02 1.02 3.225676206e+02 4.594681142e+02 5.166697985e+02 1.04 2.978390085e+02 4.238928390e+02 4.764002650e+02 1.06 2.754337588e+02 3.918042875e+02 4.400967087e+02 1.08 2.550678857e+02 3.627840731e+02 4.072922819e+02 1.10 2.365022049e+02 3.364731660e+02 3.775846988e+02 1.12 2.195253990e+02 3.125528884e+02 3.506151204e+02 1.14 2.039579042e+02 2.907448860e+02 3.260711809e+02 1.16 1.896423820e+02 2.708098673e+02 3.036782611e+02 1.18 1.764451584e+02 2.525365628e+02 2.831933564e+02 1.20 1.642499305e+02 2.357406463e+02 2.644067014e+02 1.22 1.529538300e+02 2.202611156e+02 2.471324699e+02 1.24 1.424708832e+02 2.059602540e+02 2.312072105e+02 1.26 1.327253293e+02 1.927157293e+02 2.164908878e+02 1.28 1.236507112e+02 1.804211475e+02 2.028592573e+02 1.30 1.151884517e+02 1.689824177e+02 1.902020703e+02 1.32 1.072889308e+02 1.583209700e+02 1.784254192e+02 1.34 9.990677868e+01 1.483664382e+02 1.674463180e+02 1.36 9.300186295e+01 1.390560548e+02 1.571911812e+02 1.38 8.653834771e+01 1.303360473e+02 1.475951986e+02 1.40 8.048566494e+01 1.221578650e+02 1.386022489e+02 1.42 7.481494323e+01 1.144789997e+02 1.301632071e+02 1.44 6.950055787e+01 1.072628607e+02 1.222337898e+02 1.46 6.451931725e+01 1.004756803e+02 1.147748197e+02 1.48 5.984928796e+01 9.408735717e+01 1.077510790e+02 1.50 5.547185235e+01 8.807155738e+01 1.011319028e+02 1.52 5.136864153e+01 8.240419401e+01 9.489075535e+01 1.54 4.752298231e+01 7.706242482e+01 8.900263373e+01 1.56 4.391967140e+01 7.202641327e+01 8.344413210e+01 1.58 4.054448914e+01 6.727827594e+01 7.819620523e+01 1.60 3.738300575e+01 6.280209002e+01 7.324024760e+01 1.62 3.442341096e+01 5.858195888e+01 6.855833292e+01 1.64 3.165409747e+01 5.460337374e+01 6.413604184e+01 1.66 2.906372501e+01 5.085353076e+01 5.995901239e+01 1.68 2.664205858e+01 4.732012271e+01 5.601375977e+01 1.70 2.437921215e+01 4.399143402e+01 5.228771802e+01 1.72 2.221667392e+01 4.085626771e+01 4.876965479e+01 1.74 2.023728630e+01 3.790452289e+01 4.544869739e+01 1.76 1.838996859e+01 3.512642301e+01 4.231451275e+01 1.78 1.666480679e+01 3.251219111e+01 3.935668666e+01 1.80 1.505470378e+01 3.005342659e+01 3.656688155e+01 1.82 1.355253912e+01 2.774210158e+01 3.393677446e+01 1.84 1.215246733e+01 2.557032283e+01 3.145816610e+01 1.86 1.084847433e+01 2.353038286e+01 2.912303465e+01 1.88 9.634962088e+00 2.156519027e+01 2.692402492e+01 1.90 8.506710191e+00 1.976043335e+01 2.485432010e+01 1.92 7.458784468e+00 1.806825948e+01 2.285823222e+01 1.94 6.486477963e+00 1.647990005e+01 2.102527333e+01 1.96 5.585344952e+00 1.498979039e+01 1.929624668e+01 1.98 4.750568358e+00 1.359230830e+01 1.767272467e+01 2.00 3.978549731e+00 1.228284536e+01 1.614632800e+01 2.02 3.265873968e+00 1.105671523e+01 1.471112247e+01 2.04 2.608806232e+00 9.909440049e+00 1.336317652e+01 2.06 2.004075684e+00 8.836587058e+00 1.209810738e+01 2.08 1.448477428e+00 7.834042044e+00 1.091159572e+01 2.10 9.390495498e-01 6.898321367e+00 9.799474928e+00 2.12 4.729159558e-01 6.025452042e+00 8.757459731e+00 2.14 4.734928429e-02 5.212232755e+00 7.782377197e+00 2.16 -3.402337020e-01 4.455389974e+00 6.870694591e+00 2.18 -6.922389910e-01 3.751847475e+00 6.019008966e+00 2.20 -1.010759130e+00 3.098773609e+00 5.224158126e+00 2.22 -1.298299223e+00 2.493154442e+00 4.483111599e+00 2.24 -1.556928743e+00 1.932458537e+00 3.792977119e+00 2.26 -1.788488077e+00 1.414206477e+00 3.151001670e+00 2.28 -1.994671571e+00 9.359684878e-01 2.554489816e+00 2.30 -2.177520620e+00 4.954198564e-01 2.001004622e+00 2.32 -2.338847240e+00 9.033178825e-02 1.488202382e+00 2.34 -2.480326880e+00 -2.813384691e-01 1.013819553e+00 2.36 -2.603155003e+00 -6.215775317e-01 5.757001157e-01 2.38 -2.708802739e+00 -9.320966490e-01 1.715899404e-01 2.40 -2.798547971e+00 -1.214816681e+00 -2.004428994e-01 2.42 -2.873600059e+00 -1.471560525e+00 -5.420411370e-01 2.44 -2.935245589e+00 -1.703922902e+00 -8.549521898e-01 2.46 -2.984375725e+00 -1.913346389e+00 -1.140643524e+00 2.48 -3.022089889e+00 -2.101094703e+00 -1.401008381e+00 2.50 -3.049260024e+00 -2.268846623e+00 -1.637820606e+00 2.52 -3.066845800e+00 -2.417924929e+00 -1.852285700e+00 2.54 -3.075787611e+00 -2.549584983e+00 -2.045467697e+00 2.56 -3.076878574e+00 -2.665017490e+00 -2.218923552e+00 2.58 -3.070858042e+00 -2.765351079e+00 -2.373970811e+00 2.60 -3.058414396e+00 -2.851654758e+00 -2.511802930e+00 2.62 -3.040187693e+00 -2.924940252e+00 -2.633553525e+00 2.64 -3.016772402e+00 -2.986164154e+00 -2.740298964e+00 2.66 -2.988804735e+00 -3.036251406e+00 -2.833164555e+00 2.68 -2.956787593e+00 -3.076049063e+00 -2.913114352e+00 2.70 -2.921107741e+00 -3.106311335e+00 -2.980962448e+00 2.72 -2.882200465e+00 -3.127618502e+00 -3.037575972e+00 2.74 -2.840467790e+00 -3.140810994e+00 -3.083758022e+00 2.76 -2.796279933e+00 -3.146655998e+00 -3.120195251e+00 2.78 -2.749994427e+00 -3.146055466e+00 -3.147775340e+00 2.80 -2.701969902e+00 -3.139533361e+00 -3.167007113e+00 2.82 -2.651632379e+00 -3.127404752e+00 -3.178631336e+00 2.84 -2.599972188e+00 -3.110187960e+00 -3.183317006e+00 2.86 -2.547224371e+00 -3.088367583e+00 -3.181641823e+00 2.88 -2.493548180e+00 -3.062395711e+00 -3.174148448e+00 2.90 -2.439360836e+00 -3.032721807e+00 -3.161346086e+00 2.92 -2.384823050e+00 -3.000016850e+00 -3.143712036e+00 2.94 -2.330102155e+00 -2.964310936e+00 -3.121693203e+00 2.96 -2.275574114e+00 -2.925944954e+00 -3.095707579e+00 2.98 -2.221289411e+00 -2.885234965e+00 -3.066145670e+00 3.00 -2.167260127e+00 -2.842473609e+00 -3.033371897e+00 3.02 -2.113506228e+00 -2.797931477e+00 -2.997725942e+00 3.04 -2.060122871e+00 -2.751893227e+00 -2.959524001e+00 3.06 -2.007202960e+00 -2.704040217e+00 -2.919071430e+00 3.08 -1.955091594e+00 -2.654762957e+00 -2.877007546e+00 3.10 -1.903660109e+00 -2.604555636e+00 -2.833199197e+00 3.12 -1.852859739e+00 -2.553564501e+00 -2.787871670e+00 3.14 -1.802742828e+00 -2.502027475e+00 -2.741106288e+00 3.16 -1.753355348e+00 -2.450141395e+00 -2.692606876e+00 3.18 -1.704737642e+00 -2.398054373e+00 -2.643192930e+00 3.20 -1.656922332e+00 -2.345885821e+00 -2.592925112e+00 3.22 -1.609938795e+00 -2.293745433e+00 -2.542316950e+00 3.24 -1.563813623e+00 -2.241727005e+00 -2.491402349e+00 3.26 -1.518563543e+00 -2.190217307e+00 -2.440216183e+00 3.28 -1.474200793e+00 -2.139089443e+00 -2.388880403e+00 3.30 -1.430743418e+00 -2.088313836e+00 -2.337504547e+00 3.32 -1.388150594e+00 -2.037956810e+00 -2.286188436e+00 3.34 -1.346366061e+00 -1.988078208e+00 -2.235022886e+00 3.36 -1.305412733e+00 -1.938731048e+00 -2.184090302e+00 3.38 -1.265355134e+00 -1.889962916e+00 -2.133465151e+00 3.40 -1.226243882e+00 -1.841828865e+00 -2.083214626e+00 3.42 -1.188089597e+00 -1.794533211e+00 -2.033399455e+00 3.44 -1.150874576e+00 -1.747916167e+00 -1.984073878e+00 3.46 -1.114564120e+00 -1.702006347e+00 -1.935285990e+00 3.48 -1.079147542e+00 -1.656828412e+00 -1.887079575e+00 3.50 -1.044623269e+00 -1.612402366e+00 -1.839492069e+00 3.52 -1.010959129e+00 -1.568748013e+00 -1.792557407e+00 3.54 -9.781258913e-01 -1.525881166e+00 -1.746304799e+00 3.56 -9.461395608e-01 -1.483805737e+00 -1.700759397e+00 3.58 -9.149865063e-01 -1.442537959e+00 -1.655943103e+00 3.60 -8.846888201e-01 -1.402074568e+00 -1.611873339e+00 3.62 -8.550089692e-01 -1.362366823e+00 -1.568568521e+00 3.64 -8.258476636e-01 -1.323386539e+00 -1.526040798e+00 3.66 -7.974679221e-01 -1.285151602e+00 -1.484293353e+00 3.68 -7.700626866e-01 -1.247714799e+00 -1.443343217e+00 3.70 -7.437907105e-01 -1.211125918e+00 -1.403177430e+00 3.72 -7.187244470e-01 -1.175387062e+00 -1.363747148e+00 3.74 -6.948687755e-01 -1.140461671e+00 -1.325025628e+00 3.76 -6.724896643e-01 -1.106337197e+00 -1.287183748e+00 3.78 -6.513296775e-01 -1.073009668e+00 -1.250199276e+00 3.80 -6.308308646e-01 -1.040466088e+00 -1.214039364e+00 3.82 -6.105947126e-01 -1.008659560e+00 -1.178701868e+00 3.84 -5.903483552e-01 -9.775989712e-01 -1.144151977e+00 3.86 -5.699169302e-01 -9.473002295e-01 -1.110378036e+00 3.88 -5.492010614e-01 -9.177751405e-01 -1.077376371e+00 3.90 -5.281539390e-01 -8.889749520e-01 -1.045137589e+00 3.92 -5.067628235e-01 -8.605989038e-01 -1.013611702e+00 3.94 -4.850776298e-01 -8.327411985e-01 -9.829241489e-01 3.96 -4.631667622e-01 -8.056151140e-01 -9.529968306e-01 3.98 -4.410579328e-01 -7.793788686e-01 -9.238141744e-01 4.00 -4.187809954e-01 -7.541455701e-01 -8.953596303e-01 4.02 -3.966044657e-01 -7.299960972e-01 -8.673502420e-01 4.04 -3.747512474e-01 -7.070357690e-01 -8.397944789e-01 4.06 -3.533912813e-01 -6.853878947e-01 -8.129059297e-01 4.08 -3.326512811e-01 -6.648990502e-01 -7.868451891e-01 4.10 -3.126228305e-01 -6.450855491e-01 -7.617291457e-01 4.12 -2.933691102e-01 -6.255777913e-01 -7.376406873e-01 4.14 -2.749304714e-01 -6.061148165e-01 -7.146544328e-01 4.16 -2.573290457e-01 -5.865218175e-01 -6.929027357e-01 4.18 -2.405725478e-01 -5.666915783e-01 -6.724500781e-01 4.20 -2.246574040e-01 -5.465692189e-01 -6.528020873e-01 4.22 -2.095713170e-01 -5.261397136e-01 -6.335665994e-01 4.24 -1.952953628e-01 -5.054177359e-01 -6.144609710e-01 4.26 -1.818056970e-01 -4.844255027e-01 -5.952901522e-01 4.28 -1.690749386e-01 -4.631742981e-01 -5.759284740e-01 4.30 -1.570732855e-01 -4.417786876e-01 -5.563045797e-01 4.32 -1.457694056e-01 -4.203137192e-01 -5.363890124e-01 4.34 -1.351311482e-01 -3.989832070e-01 -5.161840405e-01 4.36 -1.251261031e-01 -3.779716455e-01 -4.957109367e-01 4.38 -1.157220371e-01 -3.574213590e-01 -4.750013542e-01 4.40 -1.068872294e-01 -3.374398926e-01 -4.540930836e-01 4.42 -9.859072376e-02 -3.181062228e-01 -4.329835887e-01 4.44 -9.080251500e-02 -2.994759664e-01 -4.118946110e-01 4.46 -8.349368140e-02 -2.815857430e-01 -3.910268007e-01 4.48 -7.663647370e-02 -2.644568206e-01 -3.705369668e-01 4.50 -7.020437018e-02 -2.480981517e-01 -3.505455603e-01 4.52 -6.417494881e-02 -2.325089005e-01 -3.311429911e-01 4.54 -5.873587575e-02 -2.176805374e-01 -3.123949515e-01 4.56 -5.392319873e-02 -2.035984443e-01 -2.943468963e-01 4.58 -4.940140197e-02 -1.902329404e-01 -2.770277999e-01 4.60 -4.515338894e-02 -1.778646840e-01 -2.604533050e-01 4.62 -4.116298775e-02 -1.664379203e-01 -2.446283541e-01 4.64 -3.741491690e-02 -1.556207480e-01 -2.295493844e-01 4.66 -3.389474920e-02 -1.453976432e-01 -2.152061526e-01 4.68 -3.058887412e-02 -1.357422591e-01 -2.015832460e-01 4.70 -2.748445983e-02 -1.266281736e-01 -1.886613297e-01 4.72 -2.457304951e-02 -1.180292104e-01 -1.764181742e-01 4.74 -2.186568992e-02 -1.099196548e-01 -1.648294957e-01 4.76 -2.024783487e-02 -1.022744186e-01 -1.538696414e-01 4.78 -1.877444283e-02 -9.506916180e-02 -1.435121425e-01 4.80 -1.739523348e-02 -8.827261574e-02 -1.337301597e-01 4.82 -1.610052214e-02 -8.209957929e-02 -1.244968364e-01 4.84 -1.488522568e-02 -7.637211643e-02 -1.157855792e-01 4.86 -1.374456184e-02 -7.097318809e-02 -1.075702737e-01 4.88 -1.267403161e-02 -6.588470507e-02 -9.982544962e-02 4.90 -1.166940272e-02 -6.108943551e-02 -9.252640357e-02 4.92 -1.072669407e-02 -5.657099100e-02 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