# 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 = Al3Zr # 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 1.612475095e+02 nan nan 1.16 1.495349160e+02 nan nan 1.18 1.387140084e+02 nan nan 1.20 1.287081315e+02 nan nan 1.22 1.194462078e+02 nan nan 1.24 1.108630682e+02 nan nan 1.26 1.029008920e+02 nan nan 1.28 9.550891063e+01 1.419788759e+02 1.611354320e+02 1.30 8.864192416e+01 1.325202656e+02 1.506378023e+02 1.32 8.225924813e+01 1.237083951e+02 1.408548388e+02 1.34 7.632388494e+01 1.154948396e+02 1.317335164e+02 1.36 7.080156719e+01 1.078349917e+02 1.232240059e+02 1.38 6.566036027e+01 1.006883321e+02 1.152783748e+02 1.40 6.087120966e+01 9.401785032e+01 1.078508125e+02 1.42 5.640854649e+01 8.778879745e+01 1.008995004e+02 1.44 5.224988806e+01 8.196753612e+01 9.438846988e+01 1.46 4.837451374e+01 7.652141313e+01 8.828776758e+01 1.48 4.476227978e+01 7.142003045e+01 8.257186649e+01 1.50 4.139331575e+01 6.663702666e+01 7.721749368e+01 1.52 3.824851534e+01 6.215084378e+01 7.220202641e+01 1.54 3.531024709e+01 5.794384970e+01 6.750294632e+01 1.56 3.256273663e+01 5.400061484e+01 6.309819148e+01 1.58 2.999217067e+01 5.030643501e+01 5.896673738e+01 1.60 2.758639798e+01 4.684655590e+01 5.508895758e+01 1.62 2.533380783e+01 4.360596600e+01 5.144671327e+01 1.64 2.322373055e+01 4.056954500e+01 4.802324668e+01 1.66 2.124772571e+01 3.772237576e+01 4.480305646e+01 1.68 1.940203906e+01 3.505016661e+01 4.177195238e+01 1.70 1.767941010e+01 3.253969254e+01 3.891727765e+01 1.72 1.607289954e+01 3.017917137e+01 3.622808759e+01 1.74 1.457605701e+01 2.795849444e+01 3.369500461e+01 1.76 1.318255659e+01 2.586821182e+01 3.130977939e+01 1.78 1.188597716e+01 2.389971605e+01 2.906497276e+01 1.80 1.067975313e+01 2.204566728e+01 2.695347797e+01 1.82 9.557212137e+00 2.030143362e+01 2.496774694e+01 1.84 8.511711752e+00 1.866274423e+01 2.310008031e+01 1.86 7.536819801e+00 1.712345694e+01 2.134358323e+01 1.88 6.626552530e+00 1.567783374e+01 1.969415417e+01 1.90 5.775589292e+00 1.432047080e+01 1.814431774e+01 1.92 4.979388596e+00 1.304617438e+01 1.668670652e+01 1.94 4.234191253e+00 1.184989256e+01 1.531476618e+01 1.96 3.536914631e+00 1.072673064e+01 1.402285727e+01 1.98 2.884998751e+00 9.672059355e+00 1.280614911e+01 2.00 2.276252550e+00 8.681659547e+00 1.166038750e+01 2.02 1.708730284e+00 7.751816748e+00 1.058165862e+01 2.04 1.180647434e+00 6.879317786e+00 9.566251215e+00 2.06 6.903294387e-01 6.061339568e+00 8.610616884e+00 2.08 2.361550346e-01 5.295270665e+00 7.711396614e+00 2.10 -1.835026674e-01 4.578539155e+00 6.865450756e+00 2.12 -5.703372407e-01 3.908504412e+00 6.069879718e+00 2.14 -9.261547758e-01 3.282432757e+00 5.322023706e+00 2.16 -1.252887711e+00 2.697546018e+00 4.619442223e+00 2.18 -1.552575733e+00 2.151096891e+00 3.959875466e+00 2.20 -1.827302055e+00 1.640452908e+00 3.341184807e+00 2.22 -2.079122204e+00 1.163149218e+00 2.761314534e+00 2.24 -2.309984208e+00 7.169263306e-01 2.218259296e+00 2.26 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2.62 -4.158159349e+00 -3.606551087e+00 -3.260742839e+00 2.64 -4.164186713e+00 -3.686365564e+00 -3.385392778e+00 2.66 -4.164181588e+00 -3.758630692e+00 -3.499741926e+00 2.68 -4.158721768e+00 -3.824129207e+00 -3.604091735e+00 2.70 -4.148507140e+00 -3.883459757e+00 -3.698696042e+00 2.72 -4.135962336e+00 -3.936968807e+00 -3.783780197e+00 2.74 -4.121725659e+00 -3.984878130e+00 -3.859563293e+00 2.76 -4.105555664e+00 -4.027348841e+00 -3.926283874e+00 2.78 -4.087335709e+00 -4.064501864e+00 -3.984227926e+00 2.80 -4.067043024e+00 -4.096442616e+00 -4.033757759e+00 2.82 -4.044704597e+00 -4.123262172e+00 -4.075275976e+00 2.84 -4.020371051e+00 -4.145053050e+00 -4.109217775e+00 2.86 -3.994092492e+00 -4.161912075e+00 -4.136138118e+00 2.88 -3.965908851e+00 -4.173944258e+00 -4.156697650e+00 2.90 -3.935866768e+00 -4.181266652e+00 -4.171621917e+00 2.92 -3.904013785e+00 -4.184306850e+00 -4.181648440e+00 2.94 -3.870395970e+00 -4.183525709e+00 -4.187471916e+00 2.96 -3.835050726e+00 -4.178924166e+00 -4.189696072e+00 2.98 -3.798023396e+00 -4.170777637e+00 -4.188817579e+00 3.00 -3.759367160e+00 -4.160141768e+00 -4.185200272e+00 3.02 -3.719143659e+00 -4.146980076e+00 -4.179099105e+00 3.04 -3.677422263e+00 -4.131187229e+00 -4.171490076e+00 3.06 -3.634278786e+00 -4.112750090e+00 -4.163229210e+00 3.08 -3.589794267e+00 -4.091722050e+00 -4.153866901e+00 3.10 -3.544054123e+00 -4.068211802e+00 -4.143034726e+00 3.12 -3.497147654e+00 -4.042366904e+00 -4.130448952e+00 3.14 -3.449167636e+00 -4.014353671e+00 -4.115903074e+00 3.16 -3.400209598e+00 -3.984327728e+00 -4.099258083e+00 3.18 -3.350370523e+00 -3.952436984e+00 -4.080430808e+00 3.20 -3.299746952e+00 -3.918824399e+00 -4.059380121e+00 3.22 -3.248432856e+00 -3.883611763e+00 -4.036098426e+00 3.24 -3.196517751e+00 -3.846902056e+00 -4.010594926e+00 3.26 -3.144085461e+00 -3.808785841e+00 -3.982904414e+00 3.28 -3.091213613e+00 -3.769347455e+00 -3.953076274e+00 3.30 -3.037973669e+00 -3.728669625e+00 -3.921158590e+00 3.32 -2.984431182e+00 -3.686835709e+00 -3.887198416e+00 3.34 -2.930646047e+00 -3.643929524e+00 -3.851243558e+00 3.36 -2.876672775e+00 -3.600033516e+00 -3.813345166e+00 3.38 -2.822560847e+00 -3.555226516e+00 -3.773560815e+00 3.40 -2.768355509e+00 -3.509581378e+00 -3.731957896e+00 3.42 -2.714095773e+00 -3.463168734e+00 -3.688617187e+00 3.44 -2.659830013e+00 -3.416052351e+00 -3.643636380e+00 3.46 -2.605596059e+00 -3.368295590e+00 -3.597133153e+00 3.48 -2.551438677e+00 -3.319962485e+00 -3.549247221e+00 3.50 -2.497406648e+00 -3.271119367e+00 -3.500138230e+00 3.52 -2.443553121e+00 -3.221835547e+00 -3.449994663e+00 3.54 -2.389934855e+00 -3.172183036e+00 -3.399013084e+00 3.56 -2.336610732e+00 -3.122235471e+00 -3.347404081e+00 3.58 -2.283639819e+00 -3.072066542e+00 -3.295381888e+00 3.60 -2.231079437e+00 -3.021748209e+00 -3.243156809e+00 3.62 -2.178983399e+00 -2.971348952e+00 -3.190928069e+00 3.64 -2.127400363e+00 -2.920932239e+00 -3.138877598e+00 3.66 -2.076372081e+00 -2.870555337e+00 -3.087164938e+00 3.68 -2.025931433e+00 -2.820268531e+00 -3.035923248e+00 3.70 -1.976100322e+00 -2.770114806e+00 -2.985256443e+00 3.72 -1.926887771e+00 -2.720130003e+00 -2.935237612e+00 3.74 -1.878288642e+00 -2.670343427e+00 -2.885908951e+00 3.76 -1.830283347e+00 -2.620778867e+00 -2.837283385e+00 3.78 -1.782838714e+00 -2.571455895e+00 -2.789347791e+00 3.80 -1.735909950e+00 -2.522391276e+00 -2.742067517e+00 3.82 -1.689443523e+00 -2.473600239e+00 -2.695391677e+00 3.84 -1.643380727e+00 -2.425097350e+00 -2.649258697e+00 3.86 -1.597661734e+00 -2.376896745e+00 -2.603601649e+00 3.88 -1.552229996e+00 -2.329011637e+00 -2.558353059e+00 3.90 -1.507036899e+00 -2.281453155e+00 -2.513449012e+00 3.92 -1.462045156e+00 -2.234227530e+00 -2.468830041e+00 3.94 -1.417239277e+00 -2.187339909e+00 -2.424453738e+00 3.96 -1.372620632e+00 -2.140784839e+00 -2.380280402e+00 3.98 -1.328217267e+00 -2.094551864e+00 -2.336285191e+00 4.00 -1.284084025e+00 -2.048624432e+00 -2.292455204e+00 4.02 -1.240302379e+00 -2.002981154e+00 -2.248788922e+00 4.04 -1.196977791e+00 -1.957597587e+00 -2.205295068e+00 4.06 -1.154234458e+00 -1.912448330e+00 -2.161991072e+00 4.08 -1.112207683e+00 -1.867509214e+00 -2.118901258e+00 4.10 -1.071034556e+00 -1.822755746e+00 -2.076054919e+00 4.12 -1.030843985e+00 -1.778180950e+00 -2.033484427e+00 4.14 -9.917473267e-01 -1.733772761e+00 -1.991223469e+00 4.16 -9.538307892e-01 -1.689533507e+00 -1.949305505e+00 4.18 -9.171505206e-01 -1.645477300e+00 -1.907762495e+00 4.20 -8.817308067e-01 -1.601631802e+00 -1.866623905e+00 4.22 -8.475654552e-01 -1.558039575e+00 -1.825916009e+00 4.24 -8.146216277e-01 -1.514758697e+00 -1.785661444e+00 4.26 -7.828457903e-01 -1.471862386e+00 -1.745879021e+00 4.28 -7.521706536e-01 -1.429437375e+00 -1.706583724e+00 4.30 -7.225224372e-01 -1.387580941e+00 -1.667786888e+00 4.32 -6.938277662e-01 -1.346396650e+00 -1.629496492e+00 4.34 -6.660196826e-01 -1.305989095e+00 -1.591717525e+00 4.36 -6.390401995e-01 -1.266458120e+00 -1.554452380e+00 4.38 -6.128527625e-01 -1.227893106e+00 -1.517701207e+00 4.40 -5.874294023e-01 -1.190367928e+00 -1.481462154e+00 4.42 -5.627608946e-01 -1.153937117e+00 -1.445731465e+00 4.44 -5.388525019e-01 -1.118633534e+00 -1.410503351e+00 4.46 -5.157210730e-01 -1.084467655e+00 -1.375769645e+00 4.48 -4.933911463e-01 -1.051428354e+00 -1.341519243e+00 4.50 -4.718904917e-01 -1.019484883e+00 -1.307737392e+00 4.52 -4.512434098e-01 -9.885896681e-01 -1.274400150e+00 4.54 -4.314757187e-01 -9.586815450e-01 -1.241493643e+00 4.56 -4.125971630e-01 -9.296890719e-01 -1.208982229e+00 4.58 -3.946092221e-01 -9.015336828e-01 -1.176830247e+00 4.60 -3.775014276e-01 -8.741325144e-01 -1.144996372e+00 4.62 -3.612514590e-01 -8.474008434e-01 -1.113434148e+00 4.64 -3.458261868e-01 -8.212541389e-01 -1.082092905e+00 4.66 -3.311834130e-01 -7.956097868e-01 -1.050919004e+00 4.68 -3.172740313e-01 -7.703885698e-01 -1.019857394e+00 4.70 -3.040443574e-01 -7.455159956e-01 -9.888534288e-01 4.72 -2.914384239e-01 -7.209235637e-01 -9.578549305e-01 4.74 -2.794000973e-01 -6.965500387e-01 -9.268144724e-01 4.76 -2.678749310e-01 -6.723427769e-01 -8.956918508e-01 4.78 -2.568117178e-01 -6.482591178e-01 -8.644567032e-01 4.80 -2.461637324e-01 -6.242647625e-01 -8.330911941e-01 4.82 -2.358896798e-01 -6.003479012e-01 -8.015926477e-01 4.84 -2.259543643e-01 -5.765005427e-01 -7.699759620e-01 4.86 -2.163289607e-01 -5.527334606e-01 -7.382755947e-01 4.88 -2.069912880e-01 -5.290730901e-01 -7.065468792e-01 4.90 -1.979260588e-01 -5.055615016e-01 -6.748664237e-01 4.92 -1.891240471e-01 -4.822556283e-01 -6.433313756e-01 4.94 -1.805815226e-01 -4.592256533e-01 -6.120573986e-01 4.96 -1.722994507e-01 -4.365525298e-01 -5.811753225e-01 4.98 -1.642824847e-01 -4.143247083e-01 -5.508265619e-01 5.00 -1.565378098e-01 -3.926342400e-01 -5.211575520e-01 5.02 -1.490739150e-01 -3.715725216e-01 -4.923135866e-01 5.04 -1.418993765e-01 -3.512260038e-01 -4.644325388e-01 5.06 -1.350217385e-01 -3.316722105e-01 -4.376389800e-01 5.08 -1.284465653e-01 -3.129763831e-01 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-1.186968640e-01 -1.565806867e-01 5.46 -4.971881403e-02 -1.133486985e-01 -1.502751295e-01 5.48 -4.696963139e-02 -1.083150846e-01 -1.443875034e-01 5.50 -4.427379816e-02 -1.035736517e-01 -1.388758248e-01 5.52 -4.162773107e-02 -9.910470425e-02 -1.337024067e-01 5.54 -3.903004451e-02 -9.489070047e-02 -1.288318998e-01 5.56 -3.648153045e-02 -9.091576536e-02 -1.242377111e-01 5.58 -3.398507280e-02 -8.716525321e-02 -1.198911004e-01 5.60 -3.154546889e-02 -8.362538689e-02 -1.157681735e-01 5.62 -2.916915420e-02 -8.028296396e-02 -1.118476400e-01 5.64 -2.686383366e-02 -7.712501574e-02 -1.081105115e-01 5.66 -2.463803246e-02 -7.413917802e-02 -1.045398239e-01 5.68 -2.250059084e-02 -7.131338915e-02 -1.011203848e-01 5.70 -2.046005454e-02 -6.863582230e-02 -9.783854590e-02 5.72 -1.852393714e-02 -6.609494471e-02 -9.468199943e-02 5.74 -1.669912652e-02 -6.367958714e-02 -9.163959710e-02 5.76 -1.499100986e-02 -6.137901138e-02 -8.870119036e-02 5.78 -1.340313135e-02 -5.918296738e-02 -8.585749045e-02 5.80 -1.193707690e-02 -5.708173533e-02 -8.309994664e-02 5.82 -1.059248569e-02 -5.506615136e-02 -8.042064154e-02 5.84 -9.367173203e-03 -5.312761772e-02 -7.781220241e-02 5.86 -8.257341789e-03 -5.125809978e-02 -7.526772741e-02 5.88 -7.257850314e-03 -4.945011334e-02 -7.278072657e-02 5.90 -6.362514026e-03 -4.769670576e-02 -7.034507668e-02 5.92 -5.564408766e-03 -4.599143454e-02 -6.795499032e-02 5.94 -4.856158838e-03 -4.432834662e-02 -6.560499889e-02 5.96 -4.230193915e-03 -4.270196118e-02 -6.328994968e-02 5.98 -3.678966287e-03 -4.110725829e-02 -6.100501701e-02 6.00 -3.195125026e-03 -3.953967676e-02 -5.874573023e-02