# 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 = Ni3W # 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 1.933960157e+02 nan nan 1.16 1.758035322e+02 nan nan 1.18 1.597835851e+02 nan nan 1.20 1.451953768e+02 nan nan 1.22 1.319078686e+02 nan nan 1.24 1.197974909e+02 nan nan 1.26 1.087498064e+02 nan nan 1.28 9.866223144e+01 1.637379652e+02 1.920899568e+02 1.30 8.944392150e+01 1.499753663e+02 1.764321644e+02 1.32 8.101372343e+01 1.373361104e+02 1.620178075e+02 1.34 7.329909728e+01 1.257190055e+02 1.487394191e+02 1.36 6.623647146e+01 1.150323112e+02 1.365001334e+02 1.38 5.977132960e+01 1.051944668e+02 1.252133293e+02 1.40 5.385670039e+01 9.613307305e+01 1.148019364e+02 1.42 4.845049043e+01 8.778376986e+01 1.051970411e+02 1.44 4.351301846e+01 8.008930712e+01 9.633629153e+01 1.46 3.900567336e+01 7.299827462e+01 8.816274413e+01 1.48 3.489090130e+01 6.646360517e+01 8.062394355e+01 1.50 3.113311577e+01 6.044155234e+01 7.367100848e+01 1.52 2.769970547e+01 5.489161639e+01 6.725820537e+01 1.54 2.456167481e+01 4.977703785e+01 6.134319504e+01 1.56 2.169391930e+01 4.506492258e+01 5.588730002e+01 1.58 1.907345499e+01 4.072563447e+01 5.085529235e+01 1.60 1.667948742e+01 3.673201874e+01 4.621492717e+01 1.62 1.449309005e+01 3.305903806e+01 4.193655105e+01 1.64 1.249694154e+01 2.968371838e+01 3.799273736e+01 1.66 1.067514165e+01 2.658495811e+01 3.435778160e+01 1.68 9.013222205e+00 2.374331921e+01 3.100716028e+01 1.70 7.498254234e+00 2.114043487e+01 2.791732926e+01 1.72 6.118858396e+00 1.875768790e+01 2.506625891e+01 1.74 4.865023591e+00 1.657659064e+01 2.243467325e+01 1.76 3.727811176e+00 1.457899067e+01 2.000529849e+01 1.78 2.699076297e+00 1.274757167e+01 1.776331214e+01 1.80 1.771265451e+00 1.106644328e+01 1.569588319e+01 1.82 9.372720924e-01 9.521595183e+00 1.379150299e+01 1.84 1.903127908e-01 8.101097566e+00 1.203952244e+01 1.86 -4.761964941e-01 6.794985227e+00 1.042989375e+01 1.88 -1.068761981e+00 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-4.601840029e+00 -5.247367122e+00 -5.301879503e+00 2.62 -4.533864863e+00 -5.219416657e+00 -5.280698560e+00 2.64 -4.463016475e+00 -5.185809228e+00 -5.254943481e+00 2.66 -4.389309757e+00 -5.146963349e+00 -5.225442029e+00 2.68 -4.312767520e+00 -5.103314197e+00 -5.192826526e+00 2.70 -4.233419632e+00 -5.055199478e+00 -5.157545721e+00 2.72 -4.151300975e+00 -5.002877218e+00 -5.119898397e+00 2.74 -4.066449034e+00 -4.946647427e+00 -5.080078285e+00 2.76 -3.978901765e+00 -4.886690849e+00 -5.038216945e+00 2.78 -3.888696134e+00 -4.823049050e+00 -4.994416872e+00 2.80 -3.795867598e+00 -4.755806600e+00 -4.948704664e+00 2.82 -3.700450790e+00 -4.685076985e+00 -4.900824893e+00 2.84 -3.602481702e+00 -4.610984519e+00 -4.850522629e+00 2.86 -3.502001750e+00 -4.533657616e+00 -4.797626885e+00 2.88 -3.399064019e+00 -4.453231881e+00 -4.742032666e+00 2.90 -3.293741850e+00 -4.369859349e+00 -4.683684815e+00 2.92 -3.186139645e+00 -4.283719658e+00 -4.622564198e+00 2.94 -3.076405363e+00 -4.195029547e+00 -4.558676337e+00 2.96 -2.964743779e+00 -4.104048134e+00 -4.492042520e+00 2.98 -2.851429175e+00 -4.011076596e+00 -4.422693351e+00 3.00 -2.736815752e+00 -3.916451865e+00 -4.350664681e+00 3.02 -2.621343859e+00 -3.820534932e+00 -4.275995854e+00 3.04 -2.505540106e+00 -3.723695177e+00 -4.198730108e+00 3.06 -2.390009782e+00 -3.626292745e+00 -4.118916852e+00 3.08 -2.275420756e+00 -3.528661319e+00 -4.036615281e+00 3.10 -2.162479162e+00 -3.431093483e+00 -3.951898559e+00 3.12 -2.051898548e+00 -3.333830325e+00 -3.864857472e+00 3.14 -1.944365402e+00 -3.237056184e+00 -3.775602391e+00 3.16 -1.840504838e+00 -3.140898593e+00 -3.684262581e+00 3.18 -1.740850338e+00 -3.045432817e+00 -3.590982535e+00 3.20 -1.645820885e+00 -2.950689975e+00 -3.495915992e+00 3.22 -1.555707567e+00 -2.856667567e+00 -3.399219260e+00 3.24 -1.470670280e+00 -2.763341336e+00 -3.301046011e+00 3.26 -1.390743686e+00 -2.670677539e+00 -3.201545530e+00 3.28 -1.315850511e+00 -2.578644936e+00 -3.100865506e+00 3.30 -1.245819713e+00 -2.487225951e+00 -2.999159216e+00 3.32 -1.180406966e+00 -2.396426541e+00 -2.896595854e+00 3.34 -1.119315249e+00 -2.306284351e+00 -2.793372059e+00 3.36 -1.062213915e+00 -2.216874689e+00 -2.689722541e+00 3.38 -1.008755234e+00 -2.128313851e+00 -2.585927889e+00 3.40 -9.585880152e-01 -2.040759377e+00 -2.482318127e+00 3.42 -9.113683742e-01 -1.954406940e+00 -2.379271109e+00 3.44 -8.667680334e-01 -1.869483837e+00 -2.277205497e+00 3.46 -8.244806935e-01 -1.786239361e+00 -2.176568694e+00 3.48 -7.842270618e-01 -1.704932719e+00 -2.077820720e+00 3.50 -7.457590250e-01 -1.625819508e+00 -1.981415543e+00 3.52 -7.088632809e-01 -1.549137971e+00 -1.887781712e+00 3.54 -6.733644882e-01 -1.475096338e+00 -1.797304221e+00 3.56 -6.391277059e-01 -1.403862413e+00 -1.710309328e+00 3.58 -6.060596123e-01 -1.335556270e+00 -1.627053606e+00 3.60 -5.741078099e-01 -1.270246550e+00 -1.547717919e+00 3.62 -5.432575189e-01 -1.207950389e+00 -1.472406379e+00 3.64 -5.135252178e-01 -1.148636682e+00 -1.401149770e+00 3.66 -4.849493095e-01 -1.092232085e+00 -1.333912546e+00 3.68 -4.575785773e-01 -1.038629047e+00 -1.270602300e+00 3.70 -4.314598423e-01 -9.876950941e-01 -1.211080558e+00 3.72 -4.066266056e-01 -9.392826470e-01 -1.155173885e+00 3.74 -3.830903840e-01 -8.932387066e-01 -1.102684493e+00 3.76 -3.608359241e-01 -8.494138185e-01 -1.053399770e+00 3.78 -3.398206825e-01 -8.076697706e-01 -1.007100398e+00 3.80 -3.199781504e-01 -7.678855205e-01 -9.635669119e-01 3.82 -3.012240152e-01 -7.299609071e-01 -9.225847366e-01 3.84 -2.834639000e-01 -6.938178166e-01 -8.839478001e-01 3.86 -2.666014701e-01 -6.593986881e-01 -8.474609239e-01 3.88 -2.505459275e-01 -6.266625475e-01 -8.129411921e-01 3.90 -2.352182099e-01 -5.955791276e-01 -7.802185097e-01 3.92 -2.205554607e-01 -5.661219498e-01 -7.491355455e-01 3.94 -2.065135378e-01 -5.382614370e-01 -7.195472288e-01 3.96 -1.930674699e-01 -5.119590844e-01 -6.913199412e-01 3.98 -1.802099167e-01 -4.871634656e-01 -6.643305204e-01 4.00 -1.679478517e-01 -4.638084370e-01 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-1.819539525e-01 -2.700721861e-01 4.38 -4.119428572e-02 -1.693026151e-01 -2.515502266e-01 4.40 -3.785782441e-02 -1.568109780e-01 -2.332006838e-01 4.42 -3.465490764e-02 -1.445245712e-01 -2.151016432e-01 4.44 -3.158439645e-02 -1.325011171e-01 -1.973477808e-01 4.46 -2.864944164e-02 -1.208076183e-01 -1.800463530e-01 4.48 -2.585631006e-02 -1.095165208e-01 -1.633117395e-01 4.50 -2.321308904e-02 -9.870122285e-02 -1.472589452e-01 4.52 -2.072834013e-02 -8.843133844e-02 -1.319966761e-01 4.54 -1.840949836e-02 -7.876819947e-02 -1.176207228e-01 4.56 -1.626276685e-02 -6.976107181e-02 -1.042083715e-01 4.58 -1.429197961e-02 -6.144446869e-02 -9.181442511e-02 4.60 -1.249793398e-02 -5.383677489e-02 -8.046916671e-02 4.62 -1.087828780e-02 -4.694020503e-02 -7.017831300e-02 4.64 -9.427743579e-03 -4.074176602e-02 -6.092473794e-02 4.66 -8.138450280e-03 -3.521539653e-02 -5.267154936e-02 4.68 -7.000541150e-03 -3.032523507e-02 -4.536601204e-02 4.70 -6.002728030e-03 -2.602774156e-02 -3.894381552e-02 4.72 -5.132885491e-03 -2.227446382e-02 -3.333322862e-02 4.74 -4.378576643e-03 -1.901413261e-02 -2.845821073e-02 4.76 -3.727491832e-03 -1.619587900e-02 -2.424315638e-02 4.78 -3.167788581e-03 -1.377038211e-02 -2.061461762e-02 4.80 -2.688334082e-03 -1.169073352e-02 -1.750257671e-02 4.82 -2.278860039e-03 -9.913312258e-03 -1.484224039e-02 4.84 -1.930044194e-03 -8.398283494e-03 -1.257430886e-02 4.86 -1.633534246e-03 -7.109804508e-03 -1.064532231e-02 4.88 -1.381929291e-03 -6.016014907e-03 -9.007698630e-03 4.90 -1.168732034e-03 -5.088877870e-03 -7.619528952e-03 4.92 -9.882826777e-04 -4.303926419e-03 -6.444218562e-03 4.94 -8.356830048e-04 -3.639956370e-03 -5.450039919e-03 4.96 -7.067169311e-04 -3.078696641e-03 -4.609646733e-03 4.98 -5.977719431e-04 -2.604478383e-03 -3.899583165e-03 5.00 -5.057643221e-04 -2.203917154e-03 -3.299810638e-03 5.02 -4.280698990e-04 -1.865616807e-03 -2.793266015e-03 5.04 -3.624612394e-04 -1.579899729e-03 -2.365458558e-03 5.06 -3.070515556e-04 -1.338565259e-03 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-1.195789153e-06 -5.261969131e-06 -7.876126332e-06 5.80 -1.036955121e-06 -4.564995005e-06 -6.832859588e-06 5.82 -8.997251443e-07 -3.962610813e-06 -5.931185107e-06 5.84 -7.810914012e-07 -3.441669963e-06 -5.151422891e-06 5.86 -6.784745124e-07 -2.990896042e-06 -4.476692659e-06 5.88 -5.896611363e-07 -2.600610684e-06 -3.892506427e-06 5.90 -5.127508512e-07 -2.262501897e-06 -3.386421690e-06 5.92 -4.461109163e-07 -1.969426743e-06 -2.947746004e-06 5.94 -3.883377161e-07 -1.715243137e-06 -2.567285190e-06 5.96 -3.382238803e-07 -1.494666386e-06 -2.237128565e-06 5.98 -2.947302269e-07 -1.303146760e-06 -1.950465653e-06 6.00 -2.569618046e-07 -1.136764928e-06 -1.701429660e-06