# 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 = Al3W # 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 1.701684314e+02 nan nan 1.16 1.571407143e+02 nan nan 1.18 1.451515404e+02 nan nan 1.20 1.341076811e+02 nan nan 1.22 1.239207616e+02 nan nan 1.24 1.145098773e+02 nan nan 1.26 1.058046646e+02 nan nan 1.28 9.774526125e+01 1.485878985e+02 1.699772482e+02 1.30 9.028013448e+01 1.381460759e+02 1.582579845e+02 1.32 8.336403799e+01 1.284432414e+02 1.473782045e+02 1.34 7.695613748e+01 1.194245503e+02 1.372732906e+02 1.36 7.101807930e+01 1.110406006e+02 1.278830693e+02 1.38 6.551302770e+01 1.032466647e+02 1.191497057e+02 1.40 6.040629360e+01 9.600102734e+01 1.110172480e+02 1.42 5.566650279e+01 8.926309521e+01 1.034336621e+02 1.44 5.126578786e+01 8.299220850e+01 9.635343971e+01 1.46 4.717882782e+01 7.714790154e+01 8.973839740e+01 1.48 4.338177295e+01 7.169179969e+01 8.355641160e+01 1.50 3.985193826e+01 6.659011182e+01 7.777938863e+01 1.52 3.656832014e+01 6.181499924e+01 7.238161680e+01 1.54 3.351267955e+01 5.734407964e+01 6.733892600e+01 1.56 3.066850452e+01 5.315880904e+01 6.262842259e+01 1.58 2.802081088e+01 4.924283041e+01 5.822833255e+01 1.60 2.555572689e+01 4.558078499e+01 5.411777361e+01 1.62 2.326061272e+01 4.215758197e+01 5.027654758e+01 1.64 2.112818039e+01 3.895802814e+01 4.668502355e+01 1.66 1.914778680e+01 3.596693186e+01 4.332416458e+01 1.68 1.730847819e+01 3.316972238e+01 4.017580980e+01 1.70 1.560060947e+01 3.055212606e+01 3.722320915e+01 1.72 1.401572103e+01 2.810113061e+01 3.445200071e+01 1.74 1.254624558e+01 2.580523364e+01 3.184980831e+01 1.76 1.118517477e+01 2.365537140e+01 2.940573518e+01 1.78 9.925781592e+00 2.164416879e+01 2.711031038e+01 1.80 8.761428480e+00 1.976664160e+01 2.495502014e+01 1.82 7.685459315e+00 1.801544340e+01 2.293218964e+01 1.84 6.691190597e+00 1.638330048e+01 2.103811802e+01 1.86 5.772034211e+00 1.486346992e+01 1.926608628e+01 1.88 4.921737497e+00 1.344955633e+01 1.760791379e+01 1.90 4.134634216e+00 1.213530606e+01 1.605546431e+01 1.92 3.405768183e+00 1.091443580e+01 1.460102858e+01 1.94 2.730834929e+00 9.780558196e+00 1.323773024e+01 1.96 2.106008688e+00 8.727244981e+00 1.195972108e+01 1.98 1.527773650e+00 7.748211591e+00 1.076207589e+01 2.00 9.928390804e-01 6.837548189e+00 9.640488814e+00 2.02 4.981456682e-01 5.989901739e+00 8.590953540e+00 2.04 4.091867444e-02 5.200538771e+00 7.609559453e+00 2.06 -3.812913970e-01 4.465272669e+00 6.692438112e+00 2.08 -7.706239496e-01 3.780300322e+00 5.835819671e+00 2.10 -1.128942374e+00 3.142029810e+00 5.036128610e+00 2.12 -1.458005369e+00 2.546971504e+00 4.290056692e+00 2.14 -1.759752435e+00 1.991721881e+00 3.594579575e+00 2.16 -2.036189041e+00 1.473024505e+00 2.946914296e+00 2.18 -2.289385433e+00 9.878674341e-01 2.344436941e+00 2.20 -2.521413586e+00 5.335738465e-01 1.784592183e+00 2.22 -2.734246027e+00 1.078551244e-01 1.264830690e+00 2.24 -2.929654254e+00 -2.911848613e-01 7.826011468e-01 2.26 -3.109018767e+00 -6.650872438e-01 3.354006366e-01 2.28 -3.273344668e+00 -1.015089511e+00 -7.914379049e-02 2.30 -3.423474108e+00 -1.342141137e+00 -4.632060235e-01 2.32 -3.560114056e+00 -1.647147339e+00 -8.187376715e-01 2.34 -3.683867101e+00 -1.930904610e+00 -1.147495203e+00 2.36 -3.795266608e+00 -2.194113658e+00 -1.451097575e+00 2.38 -3.894807698e+00 -2.437419178e+00 -1.731088128e+00 2.40 -3.982970568e+00 -2.661446372e+00 -1.988937529e+00 2.42 -4.060236067e+00 -2.866835495e+00 -2.226125449e+00 2.44 -4.127094788e+00 -3.054272805e+00 -2.444262831e+00 2.46 -4.184050133e+00 -3.224507701e+00 -2.644945597e+00 2.48 -4.231614720e+00 -3.378248528e+00 -2.829727166e+00 2.50 -4.270299663e+00 -3.516196302e+00 -3.000082649e+00 2.52 -4.300598488e+00 -3.639157943e+00 -3.157366823e+00 2.54 -4.322970870e+00 -3.748039969e+00 -3.302774506e+00 2.56 -4.337833623e+00 -3.843840504e+00 -3.437281987e+00 2.58 -4.345564862e+00 -3.927640500e+00 -3.561500434e+00 2.60 -4.346525136e+00 -4.000584747e+00 -3.675854633e+00 2.62 -4.342793424e+00 -4.063842876e+00 -3.780675898e+00 2.64 -4.335486965e+00 -4.118548990e+00 -3.876215153e+00 2.66 -4.324047154e+00 -4.165731165e+00 -3.962659742e+00 2.68 -4.308124656e+00 -4.206251028e+00 -4.040150451e+00 2.70 -4.287555955e+00 -4.240770948e+00 -4.108797589e+00 2.72 -4.262329814e+00 -4.269755499e+00 -4.168697438e+00 2.74 -4.232547026e+00 -4.293500994e+00 -4.219951218e+00 2.76 -4.198381301e+00 -4.312179710e+00 -4.262688459e+00 2.78 -4.160075612e+00 -4.325952087e+00 -4.297095264e+00 2.80 -4.117890053e+00 -4.335626096e+00 -4.323445623e+00 2.82 -4.072040656e+00 -4.341162713e+00 -4.342130941e+00 2.84 -4.022686709e+00 -4.342280641e+00 -4.353680226e+00 2.86 -3.969929445e+00 -4.338756322e+00 -4.358762118e+00 2.88 -3.913821017e+00 -4.330993160e+00 -4.358161916e+00 2.90 -3.854381425e+00 -4.319583222e+00 -4.352732505e+00 2.92 -3.791620210e+00 -4.304064957e+00 -4.343618983e+00 2.94 -3.725559515e+00 -4.284097254e+00 -4.333286229e+00 2.96 -3.656255797e+00 -4.259481725e+00 -4.321986980e+00 2.98 -3.583818856e+00 -4.230141840e+00 -4.309523547e+00 3.00 -3.508426932e+00 -4.196125138e+00 -4.295655849e+00 3.02 -3.430337057e+00 -4.157603296e+00 -4.280102282e+00 3.04 -3.349889673e+00 -4.114864409e+00 -4.262552800e+00 3.06 -3.267506484e+00 -4.068304808e+00 -4.242687492e+00 3.08 -3.183680882e+00 -4.018411039e+00 -4.220194992e+00 3.10 -3.098960952e+00 -3.965695512e+00 -4.194789710e+00 3.12 -3.013926206e+00 -3.910652021e+00 -4.166243849e+00 3.14 -2.929160239e+00 -3.853719800e+00 -4.134380936e+00 3.16 -2.845222394e+00 -3.795258164e+00 -4.099058150e+00 3.18 -2.762621756e+00 -3.735535022e+00 -4.060166069e+00 3.20 -2.681796421e+00 -3.674728459e+00 -4.017626730e+00 3.22 -2.603099969e+00 -3.612938499e+00 -3.971391071e+00 3.24 -2.526795820e+00 -3.550204988e+00 -3.921436692e+00 3.26 -2.453058909e+00 -3.486527819e+00 -3.867766763e+00 3.28 -2.381983198e+00 -3.421886813e+00 -3.810410550e+00 3.30 -2.313593065e+00 -3.356259626e+00 -3.749425846e+00 3.32 -2.247856626e+00 -3.289637014e+00 -3.684903323e+00 3.34 -2.184699286e+00 -3.222035225e+00 -3.616972533e+00 3.36 -2.124016366e+00 -3.153505493e+00 -3.545809021e+00 3.38 -2.065683945e+00 -3.084140533e+00 -3.471641731e+00 3.40 -2.009567754e+00 -3.014077884e+00 -3.394759661e+00 3.42 -1.955529973e+00 -2.943499884e+00 -3.315516538e+00 3.44 -1.903434217e+00 -2.872630092e+00 -3.234332221e+00 3.46 -1.853148788e+00 -2.801726344e+00 -3.151689588e+00 3.48 -1.804548746e+00 -2.731070803e+00 -3.068125957e+00 3.50 -1.757516890e+00 -2.660957815e+00 -2.984218578e+00 3.52 -1.711944040e+00 -2.591680661e+00 -2.900564717e+00 3.54 -1.667728677e+00 -2.523518444e+00 -2.817757249e+00 3.56 -1.624776318e+00 -2.456724334e+00 -2.736358597e+00 3.58 -1.582998605e+00 -2.391516136e+00 -2.656875524e+00 3.60 -1.542312271e+00 -2.328069849e+00 -2.579737982e+00 3.62 -1.502638052e+00 -2.266516399e+00 -2.505284440e+00 3.64 -1.463899588e+00 -2.206941399e+00 -2.433755037e+00 3.66 -1.426022376e+00 -2.149387444e+00 -2.365292544e+00 3.68 -1.388932794e+00 -2.093858299e+00 -2.299949949e+00 3.70 -1.352557244e+00 -2.040324267e+00 -2.237702716e+00 3.72 -1.316821460e+00 -1.988728091e+00 -2.178463559e+00 3.74 -1.281650029e+00 -1.938990853e+00 -2.122097765e+00 3.76 -1.246966191e+00 -1.891017485e+00 -2.068437627e+00 3.78 -1.212691999e+00 -1.844701668e+00 -2.017295067e+00 3.80 -1.178748920e+00 -1.799929993e+00 -1.968472057e+00 3.82 -1.145058968e+00 -1.756585404e+00 -1.921768827e+00 3.84 -1.111546450e+00 -1.714549950e+00 -1.876990048e+00 3.86 -1.078140387e+00 -1.673706940e+00 -1.833949331e+00 3.88 -1.044777614e+00 -1.633942606e+00 -1.792472351e+00 3.90 -1.011406503e+00 -1.595147331e+00 -1.752398903e+00 3.92 -9.779911267e-01 -1.557216534e+00 -1.713584124e+00 3.94 -9.445155999e-01 -1.520051308e+00 -1.675899104e+00 3.96 -9.109880465e-01 -1.483558727e+00 -1.639230841e+00 3.98 -8.774437599e-01 -1.447652074e+00 -1.603481877e+00 4.00 -8.439467846e-01 -1.412250904e+00 -1.568569498e+00 4.02 -8.105893439e-01 -1.377281072e+00 -1.534424630e+00 4.04 -7.774886463e-01 -1.342674815e+00 -1.500990509e+00 4.06 -7.447809353e-01 -1.308370975e+00 -1.468221189e+00 4.08 -7.126130819e-01 -1.274315467e+00 -1.436079968e+00 4.10 -6.811324848e-01 -1.240462032e+00 -1.404537812e+00 4.12 -6.504764260e-01 -1.206773513e+00 -1.373571838e+00 4.14 -6.207622102e-01 -1.173223166e+00 -1.343163904e+00 4.16 -5.920793341e-01 -1.139796586e+00 -1.313299348e+00 4.18 -5.644846063e-01 -1.106493590e+00 -1.283965888e+00 4.20 -5.380006269e-01 -1.073330025e+00 -1.255152689e+00 4.22 -5.126176527e-01 -1.040339145e+00 -1.226849596e+00 4.24 -4.882980161e-01 -1.007572210e+00 -1.199046506e+00 4.26 -4.649827218e-01 -9.750979582e-01 -1.171732872e+00 4.28 -4.425990066e-01 -9.430006831e-01 -1.144897307e+00 4.30 -4.210681575e-01 -9.113768107e-01 -1.118527273e+00 4.32 -4.003128657e-01 -8.803300743e-01 -1.092608836e+00 4.34 -3.802635800e-01 -8.499656243e-01 -1.067126459e+00 4.36 -3.608634770e-01 -8.203836181e-01 -1.042062838e+00 4.38 -3.420718431e-01 -7.916729550e-01 -1.017398747e+00 4.40 -3.238656454e-01 -7.639058276e-01 -9.931129071e-01 4.42 -3.062394086e-01 -7.371336428e-01 -9.691818551e-01 4.44 -2.892034033e-01 -7.113846493e-01 -9.455798244e-01 4.46 -2.727804237e-01 -6.866633499e-01 -9.222786302e-01 4.48 -2.570015155e-01 -6.629515395e-01 -8.992475682e-01 4.50 -2.419011285e-01 -6.402106267e-01 -8.764533316e-01 4.52 -2.275122225e-01 -6.183848110e-01 -8.538599234e-01 4.54 -2.138618432e-01 -5.974046810e-01 -8.314287930e-01 4.56 -2.009675928e-01 -5.771908598e-01 -8.091186640e-01 4.58 -1.888352760e-01 -5.576574252e-01 -7.868858306e-01 4.60 -1.774578229e-01 -5.387149381e-01 -7.646843680e-01 4.62 -1.668154242e-01 -5.202730158e-01 -7.424665269e-01 4.64 -1.568766816e-01 -5.022424632e-01 -7.201833065e-01 4.66 -1.476004966e-01 -4.845370295e-01 -6.977852417e-01 4.68 -1.389384022e-01 -4.670748864e-01 -6.752234402e-01 4.70 -1.308370654e-01 -4.497799344e-01 -6.524509032e-01 4.72 -1.232407423e-01 -4.325830344e-01 -6.294241509e-01 4.74 -1.160935326e-01 -4.154232449e-01 -6.061051591e-01 4.76 -1.093413452e-01 -3.982491142e-01 -5.824635905e-01 4.78 -1.029335340e-01 -3.810200448e-01 -5.584792665e-01 4.80 -9.682419911e-02 -3.637076873e-01 -5.341447893e-01 4.82 -9.097317046e-02 -3.462973948e-01 -5.094681697e-01 4.84 -8.534669213e-02 -3.287893747e-01 -4.844752701e-01 4.86 -7.991770921e-02 -3.111997382e-01 -4.592118248e-01 4.88 -7.466611482e-02 -2.935610104e-01 -4.337447734e-01 4.90 -6.957893745e-02 -2.759220375e-01 -4.081626373e-01 4.92 -6.464953271e-02 -2.583471208e-01 -3.825747057e-01 4.94 -5.987698541e-02 -2.409142756e-01 -3.571088731e-01 4.96 -5.526527149e-02 -2.237125932e-01 -3.319080878e-01 4.98 -5.082221221e-02 -2.068387845e-01 -3.071255200e-01 5.00 -4.655828624e-02 -1.903930866e-01 -2.829187184e-01 5.02 -4.248537576e-02 -1.744748098e-01 -2.594431637e-01 5.04 -3.861552386e-02 -1.591778642e-01 -2.368457308e-01 5.06 -3.495979598e-02 -1.445866253e-01 -2.152585999e-01 5.08 -3.152733639e-02 -1.307724652e-01 -1.947941171e-01 5.10 -2.832464898e-02 -1.177912025e-01 -1.755409908e-01 5.12 -2.535514168e-02 -1.056816198e-01 -1.575620529e-01 5.14 -2.261893673e-02 -9.446505075e-02 -1.408936324e-01 5.16 -2.011257021e-02 -8.414597483e-02 -1.255464224e-01 5.18 -1.782974119e-02 -7.471342790e-02 -1.115075915e-01 5.20 -1.576214659e-02 -6.614302848e-02 -9.874380721e-02 5.22 -1.389925505e-02 -5.839937683e-02 -8.720482029e-02 5.24 -1.222886407e-02 -5.143858618e-02 -7.682728427e-02 5.26 -1.073765081e-02 -4.521073058e-02 -6.753847738e-02 5.28 -9.411677658e-03 -3.966174854e-02 -5.925976137e-02 5.30 -8.236831028e-03 -3.473642769e-02 -5.190959697e-02 5.32 -7.199182762e-03 -3.037961443e-02 -4.540611609e-02 5.34 -6.285272163e-03 -2.653729483e-02 -3.966914626e-02 5.36 -5.482312996e-03 -2.315763447e-02 -3.462172416e-02 5.38 -4.778333654e-03 -2.019133190e-02 -3.019054492e-02 5.40 -4.162260640e-03 -1.759292092e-02 -2.630805387e-02 5.42 -3.623956106e-03 -1.532079804e-02 -2.291241319e-02 5.44 -3.154219695e-03 -1.333692716e-02 -1.994684898e-02 5.46 -2.744763934e-03 -1.160685584e-02 -1.736011903e-02 5.48 -2.388171042e-03 -1.009961766e-02 -1.510621148e-02 5.50 -2.077837673e-03 -8.787558137e-03 -1.314395679e-02 5.52 -1.807912700e-03 -7.646113163e-03 -1.143673514e-02 5.54 -1.573231979e-03 -6.653561952e-03 -9.952124248e-03 5.56 -1.369252980e-03 -5.790770510e-03 -8.661567853e-03 5.58 -1.191991335e-03 -5.040936980e-03 -7.539951220e-03 5.60 -1.037960642e-03 -4.389346509e-03 -6.565279344e-03 5.62 -9.041163942e-04 -3.823140512e-03 -5.718326608e-03 5.64 -7.878044484e-04 -3.331103130e-03 -4.982320265e-03 5.66 -6.867141994e-04 -2.903466161e-03 -4.342650478e-03 5.68 -5.988364133e-04 -2.531732721e-03 -3.786607669e-03 5.70 -5.224255311e-04 -2.208519150e-03 -3.303146714e-03 5.72 -4.559661749e-04 -1.927414232e-03 -2.882676778e-03 5.74 -3.981435363e-04 -1.682854529e-03 -2.516875057e-03 5.76 -3.478173071e-04 -1.470014485e-03 -2.198522519e-03 5.78 -3.039988081e-04 -1.284709916e-03 -1.921359605e-03 5.80 -2.658309818e-04 -1.123313513e-03 -1.679959860e-03 5.82 -2.325709332e-04 -9.826810664e-04 -1.469619577e-03 5.84 -2.035747231e-04 -8.600871769e-04 -1.286261627e-03 5.86 -1.782841471e-04 -7.531693347e-04 -1.126351799e-03 5.88 -1.562152551e-04 -6.598793505e-04 -9.868261286e-04 5.90 -1.369483938e-04 -5.784412173e-04 -8.650278611e-04 5.92 -1.201195776e-04 -5.073145874e-04 -7.586528003e-04 5.94 -1.054130158e-04 -4.451631391e-04 -6.657019812e-04 5.96 -9.255464439e-05 -3.908271939e-04 -5.844407008e-04 5.98 -8.130653037e-05 -3.433000234e-04 -5.133630685e-04 6.00 -7.146203104e-05 -3.017073545e-04 -4.511613435e-04