# 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 = Al3Ta # 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 1.616716902e+02 nan nan 1.16 1.496683633e+02 nan nan 1.18 1.385805684e+02 nan nan 1.20 1.283283178e+02 nan nan 1.22 1.188396228e+02 nan nan 1.24 1.100506808e+02 nan nan 1.26 1.019051860e+02 nan nan 1.28 9.435240313e+01 1.417981095e+02 1.613818589e+02 1.30 8.734546095e+01 1.321132421e+02 1.506119805e+02 1.32 8.084079527e+01 1.231020107e+02 1.405859341e+02 1.34 7.479817484e+01 1.147119326e+02 1.312450306e+02 1.36 6.918075608e+01 1.068941930e+02 1.225349995e+02 1.38 6.395528327e+01 9.960434615e+01 1.144061242e+02 1.40 5.909235485e+01 9.280239013e+01 1.068132404e+02 1.42 5.456613099e+01 8.645218417e+01 9.971600226e+01 1.44 5.035316896e+01 8.052058151e+01 9.307891375e+01 1.46 4.643102626e+01 7.497682364e+01 8.687051523e+01 1.48 4.277758582e+01 6.979252533e+01 8.106200812e+01 1.50 3.937138615e+01 6.494194087e+01 7.562610256e+01 1.52 3.619243954e+01 6.040189713e+01 7.053654446e+01 1.54 3.322519709e+01 5.615124073e+01 6.576826994e+01 1.56 3.045702200e+01 5.217021722e+01 6.129782094e+01 1.58 2.787347620e+01 4.844016773e+01 5.710366316e+01 1.60 2.546169039e+01 4.494353163e+01 5.316629177e+01 1.62 2.321043113e+01 4.166393740e+01 4.946816612e+01 1.64 2.111423022e+01 3.858623549e+01 4.599350065e+01 1.66 1.916451905e+01 3.569647012e+01 4.272795999e+01 1.68 1.735168532e+01 3.298419336e+01 3.965838105e+01 1.70 1.566666114e+01 3.044041324e+01 3.677260415e+01 1.72 1.410085097e+01 2.805399094e+01 3.405938109e+01 1.74 1.264610979e+01 2.581469477e+01 3.151107165e+01 1.76 1.129475673e+01 2.371356625e+01 2.911943964e+01 1.78 1.003958584e+01 2.174334914e+01 2.687464811e+01 1.80 8.873845905e+00 1.989834900e+01 2.476739381e+01 1.82 7.791190710e+00 1.817113411e+01 2.278970254e+01 1.84 6.785630215e+00 1.655437018e+01 2.093724565e+01 1.86 5.851525900e+00 1.504144579e+01 1.920246668e+01 1.88 4.983647681e+00 1.362637770e+01 1.757758753e+01 1.90 4.177258565e+00 1.230365563e+01 1.605515351e+01 1.92 3.428166889e+00 1.106807109e+01 1.462810985e+01 1.94 2.732711867e+00 9.914578798e+00 1.328995398e+01 1.96 2.087696444e+00 8.838229900e+00 1.203484559e+01 1.98 1.490306636e+00 7.834186957e+00 1.085759432e+01 2.00 9.380459932e-01 6.897794702e+00 9.753541497e+00 2.02 4.286887663e-01 6.024662447e+00 8.718414037e+00 2.04 -3.976332895e-02 5.210718470e+00 7.748221076e+00 2.06 -4.691413631e-01 4.452216163e+00 6.839218796e+00 2.08 -8.611998766e-01 3.745697153e+00 5.987926652e+00 2.10 -1.217735083e+00 3.087935391e+00 5.191157210e+00 2.12 -1.540708448e+00 2.475887929e+00 4.446024094e+00 2.14 -1.832340542e+00 1.906666604e+00 3.749908649e+00 2.16 -2.095141639e+00 1.377532221e+00 3.100384791e+00 2.18 -2.331851740e+00 8.859048796e-01 2.495116485e+00 2.20 -2.545210465e+00 4.293801560e-01 1.931753495e+00 2.22 -2.738151845e+00 5.739384487e-03 1.407858412e+00 2.24 -2.913440368e+00 -3.870546187e-01 9.208943796e-01 2.26 -3.073440598e+00 -7.508779108e-01 4.682837945e-01 2.28 -3.220045813e+00 -1.087475603e+00 4.751705926e-02 2.30 -3.354679002e+00 -1.398491416e+00 -3.437326425e-01 2.32 -3.478341737e+00 -1.685487627e+00 -7.075315449e-01 2.34 -3.591564583e+00 -1.949950442e+00 -1.045663901e+00 2.36 -3.694602873e+00 -2.193282364e+00 -1.359659739e+00 2.38 -3.787665645e+00 -2.416784886e+00 -1.650850471e+00 2.40 -3.870954184e+00 -2.621542501e+00 -1.920431444e+00 2.42 -3.944686977e+00 -2.808693838e+00 -2.169518323e+00 2.44 -4.009116236e+00 -2.979351266e+00 -2.399190847e+00 2.46 -4.064535886e+00 -3.134521385e+00 -2.610521150e+00 2.48 -4.111280672e+00 -3.275141753e+00 -2.804584844e+00 2.50 -4.149716608e+00 -3.402117885e+00 -2.982412010e+00 2.52 -4.180225158e+00 -3.516354846e+00 -3.145013615e+00 2.54 -4.203186801e+00 -3.618737251e+00 -3.293449296e+00 2.56 -4.218971478e+00 -3.709999292e+00 -3.428693266e+00 2.58 -4.227941799e+00 -3.790934136e+00 -3.551617451e+00 2.60 -4.230470099e+00 -3.862447635e+00 -3.662991273e+00 2.62 -4.226963819e+00 -3.925514040e+00 -3.763493672e+00 2.64 -4.218953360e+00 -3.981111629e+00 -3.853731309e+00 2.66 -4.208270855e+00 -4.030148612e+00 -3.934255975e+00 2.68 -4.194625288e+00 -4.073398250e+00 -4.005497771e+00 2.70 -4.177879923e+00 -4.111460098e+00 -4.067697612e+00 2.72 -4.158056621e+00 -4.144754265e+00 -4.121086271e+00 2.74 -4.135294236e+00 -4.173543609e+00 -4.165915474e+00 2.76 -4.109806148e+00 -4.197971669e+00 -4.202467232e+00 2.78 -4.081840176e+00 -4.218103677e+00 -4.231068200e+00 2.80 -4.051646941e+00 -4.233962030e+00 -4.252109364e+00 2.82 -4.019475815e+00 -4.245552436e+00 -4.266068038e+00 2.84 -3.985534378e+00 -4.253096299e+00 -4.273525733e+00 2.86 -3.949961628e+00 -4.257042633e+00 -4.275173175e+00 2.88 -3.912832421e+00 -4.257238486e+00 -4.271794752e+00 2.90 -3.874169100e+00 -4.253720450e+00 -4.264229623e+00 2.92 -3.833956947e+00 -4.247372959e+00 -4.253314540e+00 2.94 -3.792159815e+00 -4.238016039e+00 -4.239834616e+00 2.96 -3.748733241e+00 -4.225343357e+00 -4.225730996e+00 2.98 -3.703633977e+00 -4.209144509e+00 -4.211843379e+00 3.00 -3.656825580e+00 -4.189301669e+00 -4.197897707e+00 3.02 -3.608280638e+00 -4.165790514e+00 -4.183601087e+00 3.04 -3.557980436e+00 -4.138684011e+00 -4.168653214e+00 3.06 -3.505912970e+00 -4.108129433e+00 -4.152761213e+00 3.08 -3.452070172e+00 -4.074328959e+00 -4.135653202e+00 3.10 -3.396445141e+00 -4.037527303e+00 -4.117087963e+00 3.12 -3.339030074e+00 -3.997994530e+00 -4.096859992e+00 3.14 -3.279815432e+00 -3.955985615e+00 -4.074800991e+00 3.16 -3.218790731e+00 -3.911724307e+00 -4.050789051e+00 3.18 -3.155947105e+00 -3.865397557e+00 -4.024747315e+00 3.20 -3.091281628e+00 -3.817157980e+00 -3.996620441e+00 3.22 -3.024803144e+00 -3.767132362e+00 -3.966369503e+00 3.24 -2.956539231e+00 -3.715433253e+00 -3.933968133e+00 3.26 -2.886543820e+00 -3.662170767e+00 -3.899399303e+00 3.28 -2.814904884e+00 -3.607462288e+00 -3.862652883e+00 3.30 -2.741751556e+00 -3.551438690e+00 -3.823724104e+00 3.32 -2.667259973e+00 -3.494246474e+00 -3.782612960e+00 3.34 -2.591657016e+00 -3.436046003e+00 -3.739324546e+00 3.36 -2.515221201e+00 -3.377006558e+00 -3.693870295e+00 3.38 -2.438279851e+00 -3.317299323e+00 -3.646270055e+00 3.40 -2.361202230e+00 -3.257089561e+00 -3.596554862e+00 3.42 -2.284388444e+00 -3.196529206e+00 -3.544770166e+00 3.44 -2.208254721e+00 -3.135750779e+00 -3.490979095e+00 3.46 -2.133215986e+00 -3.074863316e+00 -3.435265169e+00 3.48 -2.059667564e+00 -3.013950471e+00 -3.377733744e+00 3.50 -1.987967633e+00 -2.953070724e+00 -3.318511475e+00 3.52 -1.918422338e+00 -2.892259359e+00 -3.257743445e+00 3.54 -1.851274785e+00 -2.831531778e+00 -3.195587635e+00 3.56 -1.786698902e+00 -2.770887717e+00 -3.132207812e+00 3.58 -1.724798124e+00 -2.710315979e+00 -3.067765662e+00 3.60 -1.665608458e+00 -2.649799393e+00 -3.002413816e+00 3.62 -1.609104973e+00 -2.589319786e+00 -2.936291187e+00 3.64 -1.555210561e+00 -2.528862804e+00 -2.869521555e+00 3.66 -1.503805795e+00 -2.468422459e+00 -2.802215637e+00 3.68 -1.454738895e+00 -2.408005249e+00 -2.734476166e+00 3.70 -1.407835040e+00 -2.347633687e+00 -2.666404930e+00 3.72 -1.362904563e+00 -2.287349014e+00 -2.598110467e+00 3.74 -1.319749838e+00 -2.227212872e+00 -2.529715109e+00 3.76 -1.278170860e+00 -2.167307705e+00 -2.461360282e+00 3.78 -1.237969690e+00 -2.107735684e+00 -2.393209263e+00 3.80 -1.198954048e+00 -2.048616089e+00 -2.325447009e+00 3.82 -1.160940334e+00 -1.990081175e+00 -2.258277041e+00 3.84 -1.123756420e+00 -1.932270748e+00 -2.191915715e+00 3.86 -1.087244448e+00 -1.875325827e+00 -2.126584519e+00 3.88 -1.051263857e+00 -1.819381883e+00 -2.062501248e+00 3.90 -1.015694697e+00 -1.764562259e+00 -1.999870996e+00 3.92 -9.804411999e-01 -1.710972298e+00 -1.938877852e+00 3.94 -9.454354085e-01 -1.658694737e+00 -1.879678160e+00 3.96 -9.106403899e-01 -1.607786534e+00 -1.822395639e+00 3.98 -8.760526391e-01 -1.558277510e+00 -1.767118903e+00 4.00 -8.417029355e-01 -1.510170610e+00 -1.713901117e+00 4.02 -8.076550895e-01 -1.463443702e+00 -1.662761628e+00 4.04 -7.740021259e-01 -1.418052649e+00 -1.613689128e+00 4.06 -7.408597694e-01 -1.373935354e+00 -1.566645868e+00 4.08 -7.083575318e-01 -1.331016477e+00 -1.521572434e+00 4.10 -6.766281635e-01 -1.289212537e+00 -1.478392640e+00 4.12 -6.457966136e-01 -1.248437335e+00 -1.437018222e+00 4.14 -6.159698196e-01 -1.208607030e+00 -1.397353068e+00 4.16 -5.872285710e-01 -1.169645322e+00 -1.359296845e+00 4.18 -5.596223600e-01 -1.131488028e+00 -1.322747978e+00 4.20 -5.331676238e-01 -1.094087031e+00 -1.287605962e+00 4.22 -5.078494001e-01 -1.057413277e+00 -1.253773065e+00 4.24 -4.836255594e-01 -1.021458548e+00 -1.221155490e+00 4.26 -4.604332344e-01 -9.862357163e-01 -1.189664080e+00 4.28 -4.381962302e-01 -9.517773080e-01 -1.159214656e+00 4.30 -4.168327100e-01 -9.181323227e-01 -1.129728055e+00 4.32 -3.962624333e-01 -8.853614738e-01 -1.101129958e+00 4.34 -3.764130137e-01 -8.535312348e-01 -1.073350547e+00 4.36 -3.572248160e-01 -8.227072712e-01 -1.046324059e+00 4.38 -3.386542904e-01 -7.929479529e-01 -1.019988271e+00 4.40 -3.206755259e-01 -7.642986407e-01 -9.942839420e-01 4.42 -3.032801383e-01 -7.367873131e-01 -9.691542403e-01 4.44 -2.864754979e-01 -7.104218857e-01 -9.445441818e-01 4.46 -2.702815705e-01 -6.851893106e-01 -9.204000852e-01 4.48 -2.547267238e-01 -6.610563066e-01 -8.966690625e-01 4.50 -2.398429639e-01 -6.379713847e-01 -8.732985588e-01 4.52 -2.256611201e-01 -6.158677487e-01 -8.502359173e-01 4.54 -2.122064840e-01 -5.946666375e-01 -8.274281998e-01 4.56 -1.994953207e-01 -5.742807420e-01 -8.048217334e-01 4.58 -1.875325292e-01 -5.546174196e-01 -7.823621516e-01 4.60 -1.763105540e-01 -5.355815439e-01 -7.599943791e-01 4.62 -1.658094856e-01 -5.170779216e-01 -7.376628255e-01 4.64 -1.559981602e-01 -4.990132883e-01 -7.153117786e-01 4.66 -1.468359868e-01 -4.812979486e-01 -6.928860320e-01 4.68 -1.382752145e-01 -4.638471522e-01 -6.703317801e-01 4.70 -1.302633719e-01 -4.465823124e-01 -6.475978102e-01 4.72 -1.227456668e-01 -4.294321594e-01 -6.246370115e-01 4.74 -1.156671855e-01 -4.123339082e-01 -6.014082072e-01 4.76 -1.089748227e-01 -3.952344901e-01 -5.778782888e-01 4.78 -1.026188934e-01 -3.780918610e-01 -5.540246015e-01 4.80 -9.655441856e-02 -3.608763453e-01 -5.298374868e-01 4.82 -9.074208016e-02 -3.435720475e-01 -5.053228404e-01 4.84 -8.514889804e-02 -3.261779655e-01 -4.805044949e-01 4.86 -7.974850977e-02 -3.087090100e-01 -4.554261916e-01 4.88 -7.452142421e-02 -2.911964919e-01 -4.301528775e-01 4.90 -6.945523186e-02 -2.736880162e-01 -4.047710602e-01 4.92 -6.454377979e-02 -2.562466118e-01 -3.793879877e-01 4.94 -5.978658049e-02 -2.389489964e-01 -3.541294946e-01 4.96 -5.518798083e-02 -2.218829549e-01 -3.291364747e-01 4.98 -5.075612281e-02 -2.051439057e-01 -3.045600846e-01 5.00 -4.650176171e-02 -1.888308375e-01 -2.805559441e-01 5.02 -4.243701761e-02 -1.730418881e-01 -2.572777384e-01 5.04 -3.857413790e-02 -1.578699032e-01 -2.348707269e-01 5.06 -3.492436299e-02 -1.433983310e-01 -2.134656952e-01 5.08 -3.149698691e-02 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-3.152162546e-03 -1.322885572e-02 -1.978512747e-02 5.46 -2.742982278e-03 -1.151288794e-02 -1.721952426e-02 5.48 -2.386627059e-03 -1.001792885e-02 -1.498400170e-02 5.50 -2.076498860e-03 -8.716551608e-03 -1.303773572e-02 5.52 -1.806751104e-03 -7.584393883e-03 -1.134441146e-02 5.54 -1.572223547e-03 -6.599913031e-03 -9.871874998e-03 5.56 -1.368377006e-03 -5.744131857e-03 -8.591805842e-03 5.58 -1.191229977e-03 -5.000386117e-03 -7.479295782e-03 5.60 -1.037298523e-03 -4.354081446e-03 -6.512530450e-03 5.62 -9.035402502e-04 -3.792464534e-03 -5.672441929e-03 5.64 -7.873028310e-04 -3.304411333e-03 -4.942394935e-03 5.66 -6.862772226e-04 -2.880233598e-03 -4.307899289e-03 5.68 -5.984555349e-04 -2.511503984e-03 -3.756349454e-03 5.70 -5.220933657e-04 -2.190899248e-03 -3.276790691e-03 5.72 -4.556763334e-04 -1.912060623e-03 -2.859710611e-03 5.74 -3.978904884e-04 -1.669470168e-03 -2.496854460e-03 5.76 -3.475962629e-04 -1.458341776e-03 -2.181062205e-03 5.78 -3.038056168e-04 -1.274525451e-03 -1.906125419e-03 5.80 -2.656620444e-04 -1.114423508e-03 -1.666661950e-03 5.82 -2.324231271e-04 -9.749173973e-04 -1.458006472e-03 5.84 -2.034453378e-04 -8.533039486e-04 -1.276115101e-03 5.86 -1.781708283e-04 -7.472399062e-04 -1.117482421e-03 5.88 -1.561159571e-04 -6.546937594e-04 -9.790694164e-04 5.90 -1.368613376e-04 -5.739039508e-04 -8.582409440e-04 5.92 -1.200432156e-04 -5.033426535e-04 -7.527115354e-04 5.94 -1.053460009e-04 -4.416843970e-04 -6.604984570e-04 5.96 -9.249580337e-05 -3.877789103e-04 -5.798810771e-04 5.98 -8.125484094e-05 -3.406276226e-04 -5.093657075e-04 6.00 -7.141660193e-05 -2.993633372e-04 -4.476551926e-04