# 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 = Cu3W # 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 1.915484618e+02 nan nan 1.16 1.745971847e+02 nan nan 1.18 1.591328221e+02 nan nan 1.20 1.450287262e+02 nan nan 1.22 1.321665781e+02 nan nan 1.24 1.204327842e+02 nan nan 1.26 1.097190036e+02 nan nan 1.28 9.992371046e+01 1.630165476e+02 1.903196344e+02 1.30 9.095324304e+01 1.497268486e+02 1.752782980e+02 1.32 8.272364582e+01 1.375133458e+02 1.614156472e+02 1.34 7.516328613e+01 1.262803341e+02 1.486218380e+02 1.36 6.821410446e+01 1.159378602e+02 1.367997315e+02 1.38 6.182991646e+01 1.064032170e+02 1.258664025e+02 1.40 5.597242348e+01 9.760243598e+01 1.157516592e+02 1.42 5.060689093e+01 8.947134859e+01 1.063949086e+02 1.44 4.569900485e+01 8.195503959e+01 9.774233142e+01 1.46 4.121348187e+01 7.500567196e+01 8.974490247e+01 1.48 3.711433924e+01 6.858002309e+01 8.235671669e+01 1.50 3.336675816e+01 6.263810736e+01 7.553369964e+01 1.52 2.993761360e+01 5.714312284e+01 6.923322860e+01 1.54 2.679635000e+01 5.206179214e+01 6.341450491e+01 1.56 2.391586306e+01 4.736422093e+01 5.803909019e+01 1.58 2.127236301e+01 4.302339845e+01 5.307138267e+01 1.60 1.884503228e+01 3.901491433e+01 4.847900871e+01 1.62 1.661579222e+01 3.531709822e+01 4.423288530e+01 1.64 1.456863383e+01 3.191119175e+01 4.030670367e+01 1.66 1.268935322e+01 2.877960506e+01 3.667600639e+01 1.68 1.096547033e+01 2.590550428e+01 3.331801142e+01 1.70 9.386149924e+00 2.327198412e+01 3.021080415e+01 1.72 7.941985041e+00 2.086141140e+01 2.733367582e+01 1.74 6.624670164e+00 1.865529465e+01 2.466825317e+01 1.76 5.426675950e+00 1.663478071e+01 2.219874113e+01 1.78 4.340985303e+00 1.478138336e+01 1.991151447e+01 1.80 3.360873496e+00 1.307776080e+01 1.779479700e+01 1.82 2.479697594e+00 1.150844474e+01 1.583828375e+01 1.84 1.690691085e+00 1.006025857e+01 1.403275865e+01 1.86 9.867952136e-01 8.722365311e+00 1.236989489e+01 1.88 3.605763077e-01 7.486010993e+00 1.084200700e+01 1.90 -1.957275893e-01 6.344094078e+00 9.441686985e+00 1.92 -6.900193485e-01 5.290696486e+00 8.161361189e+00 1.94 -1.130051253e+00 4.320680400e+00 6.992888048e+00 1.96 -1.523102575e+00 3.429399258e+00 5.927343493e+00 1.98 -1.875700862e+00 2.612511359e+00 4.955106349e+00 2.00 -2.193299774e+00 1.865852558e+00 4.066265104e+00 2.02 -2.480581032e+00 1.185332819e+00 3.251241070e+00 2.04 -2.741376671e+00 5.668488996e-01 2.501421416e+00 2.06 -2.978557846e+00 6.225437326e-03 1.809592197e+00 2.08 -3.194216956e+00 -5.008000051e-01 1.170066554e+00 2.10 -3.389833897e+00 -9.585406469e-01 5.785398688e-01 2.12 -3.566078104e+00 -1.371278915e+00 3.178448133e-02 2.14 -3.723355888e+00 -1.743158572e+00 -4.726995988e-01 2.16 -3.862243393e+00 -2.078075331e+00 -9.369991110e-01 2.18 -3.983472106e+00 -2.379463073e+00 -1.363027709e+00 2.20 -4.087901124e+00 -2.650647633e+00 -1.752677833e+00 2.22 -4.176481802e+00 -2.894696337e+00 -2.107885011e+00 2.24 -4.250216039e+00 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-4.126005429e+00 -4.561465090e+00 -4.528941778e+00 2.62 -4.077625180e+00 -4.553755334e+00 -4.525770108e+00 2.64 -4.025806238e+00 -4.540268984e+00 -4.518468304e+00 2.66 -3.970584377e+00 -4.521571174e+00 -4.507740704e+00 2.68 -3.911988639e+00 -4.497854102e+00 -4.494065032e+00 2.70 -3.850046343e+00 -4.469430660e+00 -4.477740574e+00 2.72 -3.784786826e+00 -4.436975014e+00 -4.458945073e+00 2.74 -3.716243778e+00 -4.400442168e+00 -4.437824296e+00 2.76 -3.644455970e+00 -4.359714090e+00 -4.415030455e+00 2.78 -3.569466355e+00 -4.314737483e+00 -4.390343696e+00 2.80 -3.491319971e+00 -4.265533859e+00 -4.363311458e+00 2.82 -3.410061594e+00 -4.212147038e+00 -4.333605530e+00 2.84 -3.325734460e+00 -4.154631199e+00 -4.301000336e+00 2.86 -3.238381521e+00 -4.093062365e+00 -4.265352301e+00 2.88 -3.148050481e+00 -4.027580739e+00 -4.226581184e+00 2.90 -3.054803352e+00 -3.958406880e+00 -4.184653786e+00 2.92 -2.958730491e+00 -3.885815671e+00 -4.139578588e+00 2.94 -2.859968178e+00 -3.810140645e+00 -4.091443610e+00 2.96 -2.758717839e+00 -3.731772870e+00 -4.040362321e+00 2.98 -2.655264304e+00 -3.651151427e+00 -3.986442270e+00 3.00 -2.549990016e+00 -3.568746730e+00 -3.929783215e+00 3.02 -2.443382211e+00 -3.485038774e+00 -3.870477392e+00 3.04 -2.336030590e+00 -3.400493008e+00 -3.808611211e+00 3.06 -2.228614161e+00 -3.315536751e+00 -3.744267788e+00 3.08 -2.121877330e+00 -3.230538843e+00 -3.677529447e+00 3.10 -2.016596976e+00 -3.145794674e+00 -3.608479160e+00 3.12 -1.913543709e+00 -3.061517804e+00 -3.537200019e+00 3.14 -1.813441567e+00 -2.977838461e+00 -3.463772293e+00 3.16 -1.716930729e+00 -2.894808348e+00 -3.388268462e+00 3.18 -1.624537388e+00 -2.812410654e+00 -3.310747580e+00 3.20 -1.536653713e+00 -2.730573894e+00 -3.231251074e+00 3.22 -1.453529238e+00 -2.649188230e+00 -3.149802151e+00 3.24 -1.375273310e+00 -2.568123078e+00 -3.066410438e+00 3.26 -1.301866839e+00 -2.487244975e+00 -2.981082261e+00 3.28 -1.233180714e+00 -2.406434848e+00 -2.893835707e+00 3.30 -1.168997960e+00 -2.325603856e+00 -2.804718549e+00 3.32 -1.109036967e+00 -2.244706982e+00 -2.713826547e+00 3.34 -1.052973654e+00 -2.163753572e+00 -2.621319577e+00 3.36 -1.000461167e+00 -2.082814039e+00 -2.527433334e+00 3.38 -9.511464139e-01 -2.002022129e+00 -2.432484944e+00 3.40 -9.046833152e-01 -1.921572378e+00 -2.336871508e+00 3.42 -8.607430627e-01 -1.841712782e+00 -2.241061379e+00 3.44 -8.190219090e-01 -1.762733135e+00 -2.145578749e+00 3.46 -7.792470670e-01 -1.684949906e+00 -2.050982838e+00 3.48 -7.411812125e-01 -1.608688941e+00 -1.957843566e+00 3.50 -7.046258889e-01 -1.534267517e+00 -1.866715957e+00 3.52 -6.694238494e-01 -1.461977349e+00 -1.778115633e+00 3.54 -6.354600947e-01 -1.392070036e+00 -1.692497570e+00 3.56 -6.026611565e-01 -1.324746115e+00 -1.610239792e+00 3.58 -5.709920994e-01 -1.260148451e+00 -1.531633041e+00 3.60 -5.404508608e-01 -1.198360171e+00 -1.456876690e+00 3.62 -5.110599233e-01 -1.139406902e+00 -1.386080469e+00 3.64 -4.828558573e-01 -1.083262661e+00 -1.319271055e+00 3.66 -4.558778451e-01 -1.029858534e+00 -1.256402201e+00 3.68 -4.301566850e-01 -9.790931331e-01 -1.197367021e+00 3.70 -4.057058288e-01 -9.308438335e-01 -1.142011097e+00 3.72 -3.825156711e-01 -8.849778602e-01 -1.090145333e+00 3.74 -3.605516812e-01 -8.413623786e-01 -1.041557739e+00 3.76 -3.397562560e-01 -7.998728690e-01 -9.960236368e-01 3.78 -3.200535752e-01 -7.603992031e-01 -9.533140625e-01 3.80 -3.013563938e-01 -7.228490135e-01 -9.132023122e-01 3.82 -2.835736360e-01 -6.871481975e-01 -8.754687623e-01 3.84 -2.666177779e-01 -6.532387031e-01 -8.399041616e-01 3.86 -2.504112396e-01 -6.210740913e-01 -8.063116446e-01 3.88 -2.348912419e-01 -5.906136857e-01 -7.745077208e-01 3.90 -2.200127932e-01 -5.618163104e-01 -7.443224791e-01 3.92 -2.057496490e-01 -5.346346287e-01 -7.155992202e-01 3.94 -1.920932499e-01 -5.090109029e-01 -6.881936951e-01 3.96 -1.790498229e-01 -4.848746476e-01 -6.619730976e-01 3.98 -1.666360245e-01 -4.621422543e-01 -6.368149252e-01 4.00 -1.548736834e-01 -4.407183135e-01 -6.126058028e-01 4.02 -1.437843239e-01 -4.204981395e-01 -5.892403384e-01 4.04 -1.333841731e-01 -4.013709341e-01 -5.666200701e-01 4.06 -1.236802494e-01 -3.832230766e-01 -5.446525513e-01 4.08 -1.146679216e-01 -3.659411697e-01 -5.232506164e-01 4.10 -1.063300598e-01 -3.494146234e-01 -5.023318671e-01 4.12 -9.863764571e-02 -3.335377136e-01 -4.818184169e-01 4.14 -9.155152200e-02 -3.182111537e-01 -4.616369330e-01 4.16 -8.502486740e-02 -3.033432904e-01 -4.417190107e-01 4.18 -7.900598816e-02 -2.888510583e-01 -4.220019116e-01 4.20 -7.344108422e-02 -2.746608281e-01 -4.024296819e-01 4.22 -6.827675112e-02 -2.607092534e-01 -3.829546494e-01 4.24 -6.346208570e-02 -2.469441859e-01 -3.635392625e-01 4.26 -5.895026655e-02 -2.333256731e-01 -3.441581892e-01 4.28 -5.469968830e-02 -2.198269957e-01 -3.248005393e-01 4.30 -5.067541677e-02 -2.064356457e-01 -3.054720056e-01 4.32 -4.684903324e-02 -1.931540871e-01 -2.861966590e-01 4.34 -4.319876070e-02 -1.800001044e-01 -2.670180860e-01 4.36 -3.970933556e-02 -1.670065298e-01 -2.479995412e-01 4.38 -3.637156996e-02 -1.542201576e-01 -2.292228286e-01 4.40 -3.318163478e-02 -1.416997248e-01 -2.107857203e-01 4.42 -3.014010528e-02 -1.295129393e-01 -1.927978886e-01 4.44 -2.725082216e-02 -1.177326793e-01 -1.753755309e-01 4.46 -2.451964496e-02 -1.064326240e-01 -1.586350811e-01 4.48 -2.195319160e-02 -9.568270006e-02 -1.426865844e-01 4.50 -1.955765841e-02 -8.554478271e-02 -1.276273991e-01 4.52 -1.733750501e-02 -7.606908149e-02 -1.135368783e-01 4.54 -1.529540816e-02 -6.729154711e-02 -1.004725494e-01 4.56 -1.343165664e-02 -5.923249581e-02 -8.846809071e-02 4.58 -1.174372080e-02 -5.189647588e-02 -7.753315749e-02 4.60 -1.022637472e-02 -4.527324340e-02 -6.765486481e-02 4.62 -8.872023821e-03 -3.933949175e-02 -5.880056789e-02 4.64 -7.671166590e-03 -3.406121970e-02 -5.092148364e-02 4.66 -6.612919882e-03 -2.939702832e-02 -4.395669354e-02 4.68 -5.685547026e-03 -2.530017364e-02 -3.783713142e-02 4.70 -4.876943426e-03 -2.172097835e-02 -3.248924235e-02 4.72 -4.175050897e-03 -1.860858257e-02 -2.783766681e-02 4.74 -3.568187096e-03 -1.591338438e-02 -2.380868660e-02 4.76 -3.045288340e-03 -1.358819064e-02 -2.033203737e-02 4.78 -2.596072306e-03 -1.158863233e-02 -1.734143361e-02 4.80 -2.211131896e-03 -9.873778323e-03 -1.477607157e-02 4.82 -1.881973509e-03 -8.406446519e-03 -1.258064920e-02 4.84 -1.601012993e-03 -7.153285037e-03 -1.070546343e-02 4.86 -1.361541329e-03 -6.084689359e-03 -9.106335541e-03 4.88 -1.157670269e-03 -5.174608669e-03 -7.744353360e-03 4.90 -9.842661468e-04 -4.400284511e-03 -6.585500332e-03 4.92 -8.368781019e-04 -3.741954137e-03 -5.600224177e-03 4.94 -7.116652996e-04 -3.182542019e-03 -4.762983001e-03 4.96 -6.053262672e-04 -2.707355788e-03 -4.051794967e-03 4.98 -5.150323734e-04 -2.303797134e-03 -3.447808497e-03 5.00 -4.383666175e-04 -1.961093985e-03 -2.934903124e-03 5.02 -3.732682784e-04 -1.670057154e-03 -2.499326280e-03 5.04 -3.179835395e-04 -1.422862493e-03 -2.129367825e-03 5.06 -2.710219203e-04 -1.212858164e-03 -1.815071916e-03 5.08 -2.311181648e-04 -1.034395700e-03 -1.547984336e-03 5.10 -1.971991379e-04 -8.826830376e-04 -1.320932627e-03 5.12 -1.683552354e-04 -7.536574378e-04 -1.127835923e-03 5.14 -1.438158089e-04 -6.438761334e-04 -9.635413070e-04 5.16 -1.229281216e-04 -5.504226191e-04 -8.236835619e-04 5.18 -1.051393845e-04 -4.708266036e-04 -7.045653538e-04 5.20 -8.998145976e-05 -4.029958119e-04 -6.030551583e-04 5.22 -7.705786328e-05 -3.451580095e-04 -5.165004807e-04 5.24 -6.603273754e-05 -2.958117999e-04 -4.426542085e-04 5.26 -5.662150930e-05 -2.536849243e-04 -3.796121927e-04 5.28 -4.858298181e-05 -2.176989555e-04 -3.257604023e-04 5.30 -4.171264667e-05 -1.869394316e-04 -2.797302175e-04 5.32 -3.583703016e-05 -1.606306026e-04 -2.403606321e-04 5.34 -3.080891583e-05 -1.381140889e-04 -2.066663086e-04 5.36 -2.650330839e-05 -1.188308481e-04 -1.778105866e-04 5.38 -2.281402405e-05 -1.023059390e-04 -1.530826777e-04 5.40 -1.965081017e-05 -8.813564909e-05 -1.318783995e-04 5.42 -1.693691158e-05 -7.597661814e-05 -1.136838949e-04 5.44 -1.460701402e-05 -6.553664529e-05 -9.806187403e-05 5.46 -1.260550566e-05 -5.656691821e-05 -8.463998287e-05 5.48 -1.088500714e-05 -4.885544157e-05 -7.310096799e-05 5.50 -9.405128043e-06 -4.222147787e-05 -6.317435600e-05 5.52 -8.131414609e-06 -3.651084247e-05 -5.462941196e-05 5.54 -7.034458763e-06 -3.159192004e-05 -4.726915236e-05 5.56 -6.089143401e-06 -2.735228987e-05 -4.092539726e-05 5.58 -5.274002754e-06 -2.369586565e-05 -3.545433010e-05 5.60 -4.570679999e-06 -2.054046995e-05 -3.073297787e-05 5.62 -3.963467065e-06 -1.781577620e-05 -2.665610247e-05 5.64 -3.438913954e-06 -1.546156146e-05 -2.313358580e-05 5.66 -2.985496897e-06 -1.342622217e-05 -2.008820852e-05 5.68 -2.593336289e-06 -1.166551262e-05 -1.745376203e-05 5.70 -2.253956819e-06 -1.014147193e-05 -1.517344269e-05 5.72 -1.960083345e-06 -8.821510951e-06 -1.319848539e-05 5.74 -1.705467072e-06 -7.677634702e-06 -1.148699984e-05 5.76 -1.484737468e-06 -6.685779823e-06 -1.000297908e-05 5.78 -1.293276000e-06 -5.825249679e-06 -8.715454154e-06 5.80 -1.127108428e-06 -5.078232444e-06 -7.597772919e-06 5.82 -9.828128672e-07 -4.429389688e-06 -6.626984368e-06 5.84 -8.574412590e-07 -3.865504959e-06 -5.783312762e-06 5.86 -7.484522520e-07 -3.375183409e-06 -5.049708135e-06 5.88 -6.536538061e-07 -2.948594895e-06 -4.411461865e-06 5.90 -5.711540755e-07 -2.577254127e-06 -3.855877685e-06 5.92 -4.993193532e-07 -2.253832405e-06 -3.371989962e-06 5.94 -4.367380386e-07 -1.971996302e-06 -2.950322312e-06 5.96 -3.821897474e-07 -1.726269363e-06 -2.582680637e-06 5.98 -3.346188148e-07 -1.511913450e-06 -2.261975585e-06 6.00 -2.931115519e-07 -1.324826894e-06 -1.982070139e-06