# 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 = FeTa3 # 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 3.946924284e+02 nan nan 1.16 3.621048159e+02 nan nan 1.18 3.322385712e+02 nan nan 1.20 3.048508448e+02 nan nan 1.22 2.797283624e+02 nan nan 1.24 2.566787417e+02 nan nan 1.26 2.355237971e+02 nan nan 1.28 2.160973796e+02 3.402417933e+02 3.917229205e+02 1.30 1.982463596e+02 3.143603476e+02 3.627062882e+02 1.32 1.818318765e+02 2.904537821e+02 3.358804961e+02 1.34 1.667291365e+02 2.683604000e+02 3.110655944e+02 1.36 1.528258157e+02 2.479337938e+02 2.880987662e+02 1.38 1.400199612e+02 2.290411659e+02 2.668323515e+02 1.40 1.282182051e+02 2.115620035e+02 2.471310853e+02 1.42 1.173347479e+02 1.953867673e+02 2.288695978e+02 1.44 1.072911940e+02 1.804151539e+02 2.119309824e+02 1.46 9.801688796e+01 1.665540541e+02 1.962067901e+02 1.48 8.944908853e+01 1.537158254e+02 1.815980391e+02 1.50 8.153247651e+01 1.418175022e+02 1.680161514e+02 1.52 7.421802275e+01 1.307811147e+02 1.553828432e+02 1.54 6.746163005e+01 1.205347174e+02 1.436288834e+02 1.56 6.122293694e+01 1.110134128e+02 1.326923847e+02 1.58 5.546441636e+01 1.021597739e+02 1.225173118e+02 1.60 5.015071887e+01 9.392347551e+01 1.130524218e+02 1.62 4.524820524e+01 8.626034116e+01 1.042504620e+02 1.64 4.072469797e+01 7.913118788e+01 9.606738043e+01 1.66 3.654952270e+01 7.250076984e+01 8.846147954e+01 1.68 3.269384618e+01 6.633694170e+01 8.139265489e+01 1.70 2.913118464e+01 6.061001709e+01 7.482196706e+01 1.72 2.583785083e+01 5.529225215e+01 6.871171938e+01 1.74 2.279311557e+01 5.035741636e+01 6.302600216e+01 1.76 1.997942282e+01 4.578046445e+01 5.773144034e+01 1.78 1.739304531e+01 4.153734281e+01 5.279780263e+01 1.80 1.502397673e+01 3.760493758e+01 4.819824248e+01 1.82 1.285733994e+01 3.396112722e+01 4.390914393e+01 1.84 1.087900110e+01 3.058487591e+01 3.990969455e+01 1.86 9.075318262e+00 2.745630766e+01 3.618134361e+01 1.88 7.433098164e+00 2.455672873e+01 3.270726540e+01 1.90 5.939706201e+00 2.186859778e+01 2.947189760e+01 1.92 4.583212071e+00 1.937645232e+01 2.646059060e+01 1.94 3.352499087e+00 1.707520993e+01 2.365938195e+01 1.96 2.237292467e+00 1.495450927e+01 2.105488859e+01 1.98 1.228092960e+00 1.299975234e+01 1.863792777e+01 2.00 3.160347156e-01 1.119723933e+01 1.640608085e+01 2.02 -5.072848828e-01 9.534312292e+00 1.434715960e+01 2.04 -1.249941505e+00 7.999421016e+00 1.244912463e+01 2.06 -1.919734720e+00 6.582232422e+00 1.070076056e+01 2.08 -2.524135409e+00 5.273660345e+00 9.091715953e+00 2.10 -3.070153619e+00 4.065791824e+00 7.612322131e+00 2.12 -3.564179852e+00 2.951728850e+00 6.253441598e+00 2.14 -4.011856499e+00 1.925390644e+00 5.006312988e+00 2.16 -4.418017170e+00 9.813211323e-01 3.862421400e+00 2.18 -4.786704181e+00 1.145282813e-01 2.813426980e+00 2.20 -5.121251520e+00 -6.796388079e-01 1.851176947e+00 2.22 -5.424408215e+00 -1.405582341e+00 9.678067832e-01 2.24 -5.698474819e+00 -2.067528813e+00 1.559085766e-01 2.26 -5.945430478e+00 -2.669590184e+00 -5.912803158e-01 2.28 -6.167036361e+00 -3.215814355e+00 -1.279724265e+00 2.30 -6.364909846e+00 -3.710219670e+00 -1.914515518e+00 2.32 -6.540570616e+00 -4.156804690e+00 -2.499894976e+00 2.34 -6.695463718e+00 -4.559525801e+00 -3.039353577e+00 2.36 -6.830966039e+00 -4.922241801e+00 -3.535781622e+00 2.38 -6.948382346e+00 -5.248634326e+00 -3.991629946e+00 2.40 -7.048935938e+00 -5.542121795e+00 -4.409054732e+00 2.42 -7.133687930e+00 -5.805787841e+00 -4.790030303e+00 2.44 -7.203427279e+00 -6.042341087e+00 -5.136425804e+00 2.46 -7.259319709e+00 -6.254113378e+00 -5.450049630e+00 2.48 -7.302441310e+00 -6.443092593e+00 -5.732669596e+00 2.50 -7.333720555e+00 -6.610978344e+00 -5.986017826e+00 2.52 -7.353953323e+00 -6.759246231e+00 -6.211788414e+00 2.54 -7.363821454e+00 -6.889208181e+00 -6.411633924e+00 2.56 -7.363913527e+00 -7.002060893e+00 -6.587164501e+00 2.58 -7.354718201e+00 -7.098919165e+00 -6.739951126e+00 2.60 -7.336230072e+00 -7.180834761e+00 -6.871532635e+00 2.62 -7.308146409e+00 -7.248768776e+00 -6.983424494e+00 2.64 -7.270275368e+00 -7.303489908e+00 -7.077126272e+00 2.66 -7.222531432e+00 -7.345931409e+00 -7.154124301e+00 2.68 -7.164918875e+00 -7.377116640e+00 -7.215886473e+00 2.70 -7.097516509e+00 -7.397993977e+00 -7.263847585e+00 2.72 -7.020464259e+00 -7.409406623e+00 -7.299190164e+00 2.74 -6.933951754e+00 -7.412099083e+00 -7.323145640e+00 2.76 -6.838208817e+00 -7.406725758e+00 -7.337206308e+00 2.78 -6.733497640e+00 -7.393861710e+00 -7.342673033e+00 2.80 -6.620106520e+00 -7.373912525e+00 -7.340641945e+00 2.82 -6.498345336e+00 -7.346910135e+00 -7.332009161e+00 2.84 -6.368544991e+00 -7.312713881e+00 -7.317490057e+00 2.86 -6.231055061e+00 -7.271225207e+00 -7.297649388e+00 2.88 -6.086241765e+00 -7.222434304e+00 -7.272803130e+00 2.90 -5.934500040e+00 -7.166411654e+00 -7.242733613e+00 2.92 -5.776261172e+00 -7.103297302e+00 -7.207216393e+00 2.94 -5.612002362e+00 -7.033287839e+00 -7.166149898e+00 2.96 -5.442258237e+00 -6.956621648e+00 -7.119536792e+00 2.98 -5.267634143e+00 -6.873563486e+00 -7.067464800e+00 3.00 -5.088813815e+00 -6.784389635e+00 -7.010087354e+00 3.02 -4.906485332e+00 -6.689374878e+00 -6.947604779e+00 3.04 -4.721392342e+00 -6.588782433e+00 -6.880246898e+00 3.06 -4.534413586e+00 -6.482857728e+00 -6.808257895e+00 3.08 -4.346555564e+00 -6.371826639e+00 -6.731884062e+00 3.10 -4.158929100e+00 -6.255901762e+00 -6.651364843e+00 3.12 -3.972709664e+00 -6.135282858e+00 -6.566927252e+00 3.14 -3.789082619e+00 -6.010170143e+00 -6.478783498e+00 3.16 -3.609178366e+00 -5.880784710e+00 -6.387131416e+00 3.18 -3.434005455e+00 -5.747386172e+00 -6.292159718e+00 3.20 -3.264391262e+00 -5.610290510e+00 -6.194045437e+00 3.22 -3.100939081e+00 -5.469885680e+00 -6.092959993e+00 3.24 -2.944007797e+00 -5.326639480e+00 -5.989075663e+00 3.26 -2.793716313e+00 -5.181004089e+00 -5.882567578e+00 3.28 -2.649970825e+00 -5.033402771e+00 -5.773613677e+00 3.30 -2.512509743e+00 -4.884349884e+00 -5.662392348e+00 3.32 -2.380959149e+00 -4.734434212e+00 -5.549077918e+00 3.34 -2.254891101e+00 -4.584284827e+00 -5.433834544e+00 3.36 -2.133877759e+00 -4.434531688e+00 -5.316788979e+00 3.38 -2.017535684e+00 -4.285765221e+00 -5.197962620e+00 3.40 -1.905556492e+00 -4.138499467e+00 -5.077337094e+00 3.42 -1.797722081e+00 -3.993142802e+00 -4.954872007e+00 3.44 -1.693904690e+00 -3.849978973e+00 -4.830500563e+00 3.46 -1.594053951e+00 -3.709159562e+00 -4.704127762e+00 3.48 -1.498174560e+00 -3.570707419e+00 -4.575631203e+00 3.50 -1.406299156e+00 -3.434529400e+00 -4.444864401e+00 3.52 -1.318461076e+00 -3.300436058e+00 -4.311662547e+00 3.54 -1.234671079e+00 -3.168165832e+00 -4.175850657e+00 3.56 -1.154900911e+00 -3.037411496e+00 -4.037254113e+00 3.58 -1.079075048e+00 -2.907847154e+00 -3.895711607e+00 3.60 -1.007070535e+00 -2.779154549e+00 -3.751090449e+00 3.62 -9.387236375e-01 -2.651047878e+00 -3.603304025e+00 3.64 -8.738413351e-01 -2.523296579e+00 -3.452330994e+00 3.66 -8.122154378e-01 -2.395745590e+00 -3.298235457e+00 3.68 -7.536372245e-01 -2.268332543e+00 -3.141186933e+00 3.70 -6.979108506e-01 -2.141101170e+00 -2.981478592e+00 3.72 -6.448642397e-01 -2.014210032e+00 -2.819541807e+00 3.74 -5.943566470e-01 -1.887935598e+00 -2.655954895e+00 3.76 -5.462825237e-01 -1.762668762e+00 -2.491443951e+00 3.78 -5.005716975e-01 -1.638904194e+00 -2.326874039e+00 3.80 -4.571862094e-01 -1.517222408e+00 -2.163229746e+00 3.82 -4.161144108e-01 -1.398265162e+00 -2.001585193e+00 3.84 -3.773631261e-01 -1.282705579e+00 -1.843064865e+00 3.86 -3.409487973e-01 -1.171215112e+00 -1.688797940e+00 3.88 -3.068885521e-01 -1.064430018e+00 -1.539869797e+00 3.90 -2.751920574e-01 -9.629201475e-01 -1.397275000e+00 3.92 -2.458548527e-01 -8.671626801e-01 -1.261875942e+00 3.94 -2.188536209e-01 -7.775228208e-01 -1.134370692e+00 3.96 -1.941435874e-01 -6.942426095e-01 -1.015272362e+00 3.98 -1.716579880e-01 -6.174380604e-01 -9.049008869e-01 4.00 -1.513093459e-01 -5.471039402e-01 -8.033866808e-01 4.02 -1.329920888e-01 -4.831248196e-01 -7.106844315e-01 4.04 -1.165858237e-01 -4.252906271e-01 -6.265945494e-01 4.06 -1.019605039e-01 -3.733148214e-01 -5.507894517e-01 4.08 -8.897979182e-02 -3.268534333e-01 -4.828419593e-01 4.10 -7.750482043e-02 -2.855235245e-01 -4.222534675e-01 4.12 -6.739768340e-02 -2.489200025e-01 -3.684801058e-01 4.14 -5.852429062e-02 -2.166301152e-01 -3.209557037e-01 4.16 -5.075660378e-02 -1.882453180e-01 -2.791109367e-01 4.18 -4.397423768e-02 -1.633704721e-01 -2.423884850e-01 4.20 -3.806547278e-02 -1.416305474e-01 -2.102543735e-01 4.22 -3.292777800e-02 -1.226751109e-01 -1.822058827e-01 4.24 -2.846797117e-02 -1.061809561e-01 -1.577765333e-01 4.26 -2.460162229e-02 -9.185326627e-02 -1.365386872e-01 4.28 -2.125345142e-02 -7.942562785e-02 -1.181042881e-01 4.30 -1.835719481e-02 -6.865918358e-02 -1.021242230e-01 4.32 -1.585404512e-02 -5.934120169e-02 -8.828667734e-02 4.34 -1.369211425e-02 -5.128330341e-02 -7.631487648e-02 4.36 -1.182584066e-02 -4.431909134e-02 -6.596445006e-02 4.38 -1.021537781e-02 -3.830299722e-02 -5.702061561e-02 4.40 -8.825991875e-03 -3.310796770e-02 -4.929527714e-02 4.42 -7.627488335e-03 -2.862309793e-02 -4.262423156e-02 4.44 -6.593677524e-03 -2.475175987e-02 -3.686439520e-02 4.46 -5.701885267e-03 -2.140958368e-02 -3.189096919e-02 4.48 -4.932510459e-03 -1.852434362e-02 -2.759674918e-02 4.50 -4.268629129e-03 -1.603352547e-02 -2.388875330e-02 4.52 -3.695642957e-03 -1.388296756e-02 -2.068630726e-02 4.54 -3.200969247e-03 -1.202583504e-02 -1.792016474e-02 4.56 -2.773768921e-03 -1.042168675e-02 -1.553043359e-02 4.58 -2.404708870e-03 -9.035639119e-03 -1.346536234e-02 4.60 -2.085755074e-03 -7.837625011e-03 -1.168028819e-02 4.62 -1.809993013e-03 -6.801742120e-03 -1.013669925e-02 4.64 -1.571472137e-03 -5.905683369e-03 -8.801406800e-03 4.66 -1.365071447e-03 -5.130241290e-03 -7.645819795e-03 4.68 -1.186383493e-03 -4.458878222e-03 -6.645312660e-03 4.70 -1.031614403e-03 -3.877354574e-03 -5.778676423e-03 4.72 -8.974978083e-04 -3.373407924e-03 -5.027643693e-03 4.74 -7.812208058e-04 -2.936476446e-03 -4.376478448e-03 4.76 -6.803603014e-04 -2.557460787e-03 -3.811622391e-03 4.78 -5.928283132e-04 -2.228519247e-03 -3.321390436e-03 4.80 -5.168249865e-04 -1.942891509e-03 -2.895708735e-03 4.82 -4.507982415e-04 -1.694748088e-03 -2.525889448e-03 4.84 -3.934091219e-04 -1.479059162e-03 -2.204437175e-03 4.86 -3.435020410e-04 -1.291483727e-03 -1.924882646e-03 4.88 -3.000792295e-04 -1.128273488e-03 -1.681639837e-03 4.90 -2.622787921e-04 -9.861904673e-04 -1.469883233e-03 4.92 -2.293558576e-04 -8.624362373e-04 -1.285442360e-03 4.94 -2.006663837e-04 -7.545911049e-04 -1.124711168e-03 4.96 -1.756532396e-04 -6.605618464e-04 -9.845701403e-04 4.98 -1.538342415e-04 -5.785367735e-04 -8.623193295e-04 5.00 -1.347918639e-04 -5.069470925e-04 -7.556207714e-04 5.02 -1.181643889e-04 -4.444336605e-04 -6.624489425e-04 5.04 -1.036382895e-04 -3.898183777e-04 -5.810481241e-04 5.06 -9.094167239e-05 -3.420795560e-04 -5.098956956e-04 5.08 -7.983863011e-05 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-8.277199683e-06 -3.116976311e-05 -4.647153907e-05 5.46 -7.327554058e-06 -2.759547380e-05 -4.114312314e-05 5.48 -6.489471939e-06 -2.444090169e-05 -3.644034836e-05 5.50 -5.749537389e-06 -2.165559351e-05 -3.228801381e-05 5.52 -5.095985284e-06 -1.919530219e-05 -2.862016828e-05 5.54 -4.518493542e-06 -1.702120595e-05 -2.537885272e-05 5.56 -4.008002100e-06 -1.509922791e-05 -2.251347278e-05 5.58 -3.556555093e-06 -1.339944291e-05 -1.997931661e-05 5.60 -3.157163219e-06 -1.189556014e-05 -1.773719579e-05 5.62 -2.803683638e-06 -1.056447167e-05 -1.575266595e-05 5.64 -2.490715130e-06 -9.385858357e-06 -1.399543926e-05 5.66 -2.213506525e-06 -8.341845637e-06 -1.243887154e-05 5.68 -1.967876699e-06 -7.416702696e-06 -1.105951385e-05 5.70 -1.750144623e-06 -6.596579547e-06 -9.836720690e-06 5.72 -1.557068200e-06 -5.869277046e-06 -8.752307162e-06 5.74 -1.385790742e-06 -5.224045662e-06 -7.790249094e-06 5.76 -1.233794118e-06 -4.651409320e-06 -6.936420476e-06 5.78 -1.098857725e-06 -4.143011131e-06 -6.178363527e-06 5.80 -9.790225461e-07 -3.691478222e-06 -5.505087233e-06 5.82 -8.725596383e-07 -3.290303258e-06 -4.906890756e-06 5.84 -7.779425074e-07 -2.933740545e-06 -4.375208576e-06 5.86 -6.938228707e-07 -2.616714880e-06 -3.902474630e-06 5.88 -6.190093847e-07 -2.334741550e-06 -3.482003074e-06 5.90 -5.524489697e-07 -2.083856089e-06 -3.107883581e-06 5.92 -4.932104046e-07 -1.860552580e-06 -2.774889371e-06 5.94 -4.404699117e-07 -1.661729423e-06 -2.478396388e-06 5.96 -3.934984831e-07 -1.484641674e-06 -2.214312246e-06 5.98 -3.516507366e-07 -1.326859114e-06 -1.979013730e-06 6.00 -3.143551090e-07 -1.186229360e-06 -1.769291813e-06