# 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 = Mo3Ta # 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 3.933800827e+02 nan nan 1.16 3.617424301e+02 nan nan 1.18 3.327078444e+02 nan nan 1.20 3.060329902e+02 nan nan 1.22 2.815010891e+02 nan nan 1.24 2.589176891e+02 nan nan 1.26 2.381078171e+02 nan nan 1.28 2.189155397e+02 3.402403193e+02 3.907541158e+02 1.30 2.012045088e+02 3.150834677e+02 3.625253040e+02 1.32 1.848572120e+02 2.918312749e+02 3.363634391e+02 1.34 1.697717437e+02 2.703159724e+02 3.120927983e+02 1.36 1.558568974e+02 2.503828151e+02 2.895624078e+02 1.38 1.430274688e+02 2.318911754e+02 2.686422454e+02 1.40 1.312012443e+02 2.147159847e+02 2.492165376e+02 1.42 1.202980850e+02 1.987480371e+02 2.311777158e+02 1.44 1.102406587e+02 1.838924068e+02 2.144233375e+02 1.46 1.009559554e+02 1.700655875e+02 1.988559443e+02 1.48 9.237671054e+01 1.571926874e+02 1.843842943e+02 1.50 8.444221913e+01 1.452057014e+02 1.709243088e+02 1.52 7.709851074e+01 1.340429940e+02 1.583989953e+02 1.54 7.029811417e+01 1.236493748e+02 1.467376750e+02 1.56 6.399960838e+01 1.139759525e+02 1.358752669e+02 1.58 5.816700218e+01 1.049792912e+02 1.257520301e+02 1.60 5.276889291e+01 9.661992268e+01 1.163135828e+02 1.62 4.777738837e+01 8.886064752e+01 1.075107837e+02 1.64 4.316690109e+01 8.166513092e+01 9.929925701e+01 1.66 3.891304362e+01 7.499711630e+01 9.163865289e+01 1.68 3.499187141e+01 6.882029707e+01 8.449190634e+01 1.70 3.137960344e+01 6.309865977e+01 7.782473103e+01 1.72 2.805289806e+01 5.779703291e+01 7.160543474e+01 1.74 2.499351191e+01 5.288163339e+01 6.580495777e+01 1.76 2.218874372e+01 4.832052206e+01 6.039690749e+01 1.78 1.961893645e+01 4.408397937e+01 5.535737548e+01 1.80 1.726393610e+01 4.014483949e+01 5.066447906e+01 1.82 1.510489452e+01 3.647877546e+01 4.629775122e+01 1.84 1.312423646e+01 3.306445628e+01 4.223758054e+01 1.86 1.130570612e+01 2.988357010e+01 3.846484076e+01 1.88 9.634483589e+00 2.692382586e+01 3.496072768e+01 1.90 8.097303405e+00 2.417429210e+01 3.170673543e+01 1.92 6.682500574e+00 2.162731993e+01 2.868469629e+01 1.94 5.379948269e+00 1.927115279e+01 2.587965388e+01 1.96 4.180898787e+00 1.709349762e+01 2.327999308e+01 1.98 3.077765821e+00 1.508245400e+01 2.087388782e+01 2.00 2.063887166e+00 1.322643314e+01 1.864497613e+01 2.02 1.133296175e+00 1.151417250e+01 1.657787535e+01 2.04 2.805195289e-01 9.934795216e+00 1.465872666e+01 2.06 -4.995875967e-01 8.477877543e+00 1.287540941e+01 2.08 -1.211961688e+00 7.133509998e+00 1.121757217e+01 2.10 -1.861402313e+00 5.892356892e+00 9.676475691e+00 2.12 -2.452595417e+00 4.745725043e+00 8.244697518e+00 2.14 -2.990095539e+00 3.685642203e+00 6.915774709e+00 2.16 -3.478280702e+00 2.704928513e+00 5.683859999e+00 2.18 -3.921297338e+00 1.797234441e+00 4.543447990e+00 2.20 -4.323010830e+00 9.570239707e-01 3.489201800e+00 2.22 -4.686970813e+00 1.794986724e-01 2.515883788e+00 2.24 -5.016393136e+00 -5.395236332e-01 1.618370281e+00 2.26 -5.314155980e+00 -1.203751345e+00 7.917140603e-01 2.28 -5.582806633e+00 -1.816557460e+00 3.121407440e-02 2.30 -5.824576245e+00 -2.381094471e+00 -6.675396605e-01 2.32 -6.041400493e+00 -2.900374732e+00 -1.308661053e+00 2.34 -6.234944061e+00 -3.377313235e+00 -1.895999901e+00 2.36 -6.406622421e+00 -3.814736374e+00 -2.433195414e+00 2.38 -6.557537621e+00 -4.215365252e+00 -2.923731517e+00 2.40 -6.688751556e+00 -4.581784968e+00 -3.370976873e+00 2.42 -6.801211675e+00 -4.916411560e+00 -3.778199654e+00 2.44 -6.895704533e+00 -5.221465806e+00 -4.148555640e+00 2.46 -6.972890965e+00 -5.498958897e+00 -4.485055929e+00 2.48 -7.033341686e+00 -5.750690674e+00 -4.790525532e+00 2.50 -7.077571710e+00 -5.978258134e+00 -5.067565452e+00 2.52 -7.105746809e+00 -6.183070815e+00 -5.318528498e+00 2.54 -7.118212267e+00 -6.366370060e+00 -5.545514261e+00 2.56 -7.115696124e+00 -6.529250249e+00 -5.750383313e+00 2.58 -7.098948905e+00 -6.672681113e+00 -5.934786362e+00 2.60 -7.068754288e+00 -6.797457369e+00 -6.100201871e+00 2.62 -7.025928525e+00 -6.904370994e+00 -6.247975369e+00 2.64 -6.971319441e+00 -6.994248575e+00 -6.379354815e+00 2.66 -6.905702906e+00 -7.067869554e+00 -6.495518091e+00 2.68 -6.829026309e+00 -7.125987739e+00 -6.597566467e+00 2.70 -6.740959986e+00 -7.169347348e+00 -6.686496145e+00 2.72 -6.641387416e+00 -7.198692938e+00 -6.763428719e+00 2.74 -6.530424403e+00 -7.214614700e+00 -6.829438331e+00 2.76 -6.408432843e+00 -7.217599436e+00 -6.885513363e+00 2.78 -6.276024069e+00 -7.208492939e+00 -6.932542147e+00 2.80 -6.134043921e+00 -7.188108322e+00 -6.971167648e+00 2.82 -5.983535164e+00 -7.157249646e+00 -7.001841789e+00 2.84 -5.825678118e+00 -7.116710833e+00 -7.025338353e+00 2.86 -5.661716059e+00 -7.067277193e+00 -7.042122097e+00 2.88 -5.492876423e+00 -7.009728347e+00 -7.052472080e+00 2.90 -5.320300599e+00 -6.944748484e+00 -7.056578940e+00 2.92 -5.144993521e+00 -6.872466783e+00 -7.054545117e+00 2.94 -4.967799881e+00 -6.792808306e+00 -7.046388213e+00 2.96 -4.789407857e+00 -6.705811990e+00 -7.032048330e+00 2.98 -4.610375678e+00 -6.611627530e+00 -7.011367376e+00 3.00 -4.431172248e+00 -6.510489505e+00 -6.983790848e+00 3.02 -4.252221323e+00 -6.402686457e+00 -6.948575037e+00 3.04 -4.073939281e+00 -6.288527688e+00 -6.905033766e+00 3.06 -3.896759017e+00 -6.168311569e+00 -6.852548497e+00 3.08 -3.721136190e+00 -6.042299199e+00 -6.790574926e+00 3.10 -3.547538140e+00 -5.910696507e+00 -6.718648591e+00 3.12 -3.376419487e+00 -5.773646505e+00 -6.636388515e+00 3.14 -3.208191008e+00 -5.631231930e+00 -6.543498529e+00 3.16 -3.043189330e+00 -5.483487274e+00 -6.439766713e+00 3.18 -2.881654358e+00 -5.330418412e+00 -6.325064063e+00 3.20 -2.723719316e+00 -5.172027749e+00 -6.199343962e+00 3.22 -2.569415548e+00 -5.008342801e+00 -6.062644198e+00 3.24 -2.418691448e+00 -4.839446228e+00 -5.915093027e+00 3.26 -2.271442640e+00 -4.665505423e+00 -5.756920169e+00 3.28 -2.127549030e+00 -4.486799717e+00 -5.588472695e+00 3.30 -1.986913758e+00 -4.303743169e+00 -5.410234651e+00 3.32 -1.849499123e+00 -4.116900817e+00 -5.222848059e+00 3.34 -1.715355158e+00 -3.926996332e+00 -5.027131912e+00 3.36 -1.584637479e+00 -3.734909319e+00 -4.824095101e+00 3.38 -1.457612253e+00 -3.541661099e+00 -4.614939080e+00 3.40 -1.334647572e+00 -3.348388695e+00 -4.401046691e+00 3.42 -1.216192090e+00 -3.156307894e+00 -4.183954951e+00 3.44 -1.102743363e+00 -2.966667514e+00 -3.965311667e+00 3.46 -9.948095895e-01 -2.780698223e+00 -3.746818147e+00 3.48 -8.928693541e-01 -2.599560173e+00 -3.530162660e+00 3.50 -7.973340505e-01 -2.424294159e+00 -3.316951007e+00 3.52 -7.085171219e-01 -2.255780801e+00 -3.108641394e+00 3.54 -6.266130204e-01 -2.094711344e+00 -2.906490308e+00 3.56 -5.516872317e-01 -1.941572307e+00 -2.711514606e+00 3.58 -4.836770967e-01 -1.796644531e+00 -2.524472704e+00 3.60 -4.224019070e-01 -1.660015529e+00 -2.345865206e+00 3.62 -3.675798329e-01 -1.531602746e+00 -2.175952981e+00 3.64 -3.188489295e-01 -1.411184508e+00 -2.014788967e+00 3.66 -2.757896445e-01 -1.298435107e+00 -1.862259012e+00 3.68 -2.379465703e-01 -1.192960646e+00 -1.718126863e+00 3.70 -2.048481821e-01 -1.094332742e+00 -1.582078797e+00 3.72 -1.760238497e-01 -1.002117854e+00 -1.453764196e+00 3.74 -1.510163490e-01 -9.159007350e-01 -1.332829331e+00 3.76 -1.293915041e-01 -8.353012316e-01 -1.218942706e+00 3.78 -1.107446859e-01 -7.599842715e-01 -1.111811270e+00 3.80 -9.470461414e-02 -6.896634502e-01 -1.011187730e+00 3.82 -8.093499807e-02 -6.240990710e-01 -9.168699444e-01 3.84 -6.913452707e-02 -5.630918369e-01 -8.286939494e-01 3.86 -5.903571361e-02 -5.064736030e-01 -7.465225959e-01 3.88 -5.040290894e-02 -4.540966714e-01 -6.702318963e-01 3.90 -4.302983293e-02 -4.058230314e-01 -5.996971352e-01 3.92 -3.673688008e-02 -3.615147341e-01 -5.347804875e-01 3.94 -3.136843013e-02 -3.210262543e-01 -4.753214332e-01 3.96 -2.679015887e-02 -2.841993582e-01 -4.211307024e-01 3.98 -2.288578511e-02 -2.508605653e-01 -3.719879335e-01 4.00 -1.955623233e-02 -2.208210053e-01 -3.276427379e-01 4.02 -1.671719435e-02 -1.938782236e-01 -2.878185629e-01 4.04 -1.429632569e-02 -1.698194277e-01 -2.522185072e-01 4.06 -1.223172129e-02 -1.484254434e-01 -2.205322186e-01 4.08 -1.047052086e-02 -1.294749093e-01 -1.924430914e-01 4.10 -8.967656548e-03 -1.127491775e-01 -1.676351435e-01 4.12 -7.684746377e-03 -9.803574393e-02 -1.457989109e-01 4.14 -6.589127225e-03 -8.513097819e-02 -1.266369166e-01 4.16 -5.653016456e-03 -7.384257104e-02 -1.098674694e-01 4.18 -4.852789412e-03 -6.399121930e-02 -9.522715168e-02 4.20 -4.168359489e-03 -5.541161988e-02 -8.247254161e-02 4.22 -3.582648038e-03 -4.795287458e-02 -7.138100474e-02 4.24 -3.081131958e-03 -4.147843679e-02 -6.175076478e-02 4.26 -2.651458720e-03 -3.586566229e-02 -5.340036728e-02 4.28 -2.283118906e-03 -3.100510608e-02 -4.616772609e-02 4.30 -1.967168065e-03 -2.679965227e-02 -3.990887928e-02 4.32 -1.695990641e-03 -2.316357191e-02 -3.449664577e-02 4.34 -1.463099692e-03 -2.002150737e-02 -2.981916483e-02 4.36 -1.262966944e-03 -1.730718523e-02 -2.577827764e-02 4.38 -1.090878984e-03 -1.496277237e-02 -2.228768833e-02 4.40 -9.428147109e-04 -1.293848551e-02 -1.927332459e-02 4.42 -8.153419940e-04 -1.119091838e-02 -1.667075238e-02 4.44 -7.055297169e-04 -9.682330112e-03 -1.442389873e-02 4.46 -6.108732088e-04 -8.379988003e-03 -1.248410016e-02 4.48 -5.292309581e-04 -7.255558420e-03 -1.080921293e-02 4.50 -4.587708755e-04 -6.284552776e-03 -9.362799342e-03 4.52 -3.979246099e-04 -5.445830387e-03 -8.113394453e-03 4.54 -3.453489424e-04 -4.721156846e-03 -7.033853791e-03 4.56 -2.998925367e-04 -4.094814706e-03 -6.100775541e-03 4.58 -2.605680836e-04 -3.553262279e-03 -5.293995110e-03 4.60 -2.265283833e-04 -3.084835977e-03 -4.596142898e-03 4.62 -1.970460222e-04 -2.679491568e-03 -3.992259775e-03 4.64 -1.714960577e-04 -2.328579888e-03 -3.469463574e-03 4.66 -1.493412592e-04 -2.024652866e-03 -3.016660533e-03 4.68 -1.301195194e-04 -1.761296051e-03 -2.624296088e-03 4.70 -1.134331113e-04 -1.532984222e-03 -2.284139965e-03 4.72 -9.893951455e-05 -1.334957042e-03 -1.989101066e-03 4.74 -8.634357699e-05 -1.163112047e-03 -1.733068146e-03 4.76 -7.539081438e-05 -1.013912626e-03 -1.510772783e-03 4.78 -6.586167784e-05 -8.843089132e-04 -1.317671578e-03 4.80 -5.756664766e-05 -7.716697299e-04 -1.149844917e-03 4.82 -5.034203145e-05 -6.737245060e-04 -1.003909977e-03 4.84 -4.404636319e-05 -5.885125902e-04 -8.769459913e-04 4.86 -3.855731553e-05 -5.143404910e-04 -7.664300336e-04 4.88 -3.376905075e-05 -4.497447429e-04 -6.701818427e-04 4.90 -2.958994665e-05 -3.934600739e-04 -5.863164071e-04 4.92 -2.594064297e-05 -3.443920457e-04 -5.132032093e-04 4.94 -2.275236241e-05 -3.015935304e-04 -4.494311856e-04 4.96 -1.996546678e-05 -2.642444813e-04 -3.937785917e-04 4.98 -1.752821450e-05 -2.316345303e-04 -3.451870784e-04 5.00 -1.539569084e-05 -2.031480116e-04 -3.027393819e-04 5.02 -1.352888641e-05 -1.782510681e-04 -2.656401170e-04 5.04 -1.189390284e-05 -1.564805478e-04 -2.331992345e-04 5.06 -1.046126761e-05 -1.374344359e-04 -2.048177686e-04 5.08 -9.205342971e-06 -1.207636081e-04 -1.799755512e-04 5.10 -8.103815467e-06 -1.061647183e-04 -1.582206166e-04 5.12 -7.137254997e-06 -9.337406312e-05 -1.391600605e-04 5.14 -6.288733656e-06 -8.216228517e-05 -1.224521497e-04 5.16 -5.543496122e-06 -7.232979936e-05 -1.077995078e-04 5.18 -4.888674435e-06 -6.370284105e-05 -9.494322789e-05 5.20 -4.313041048e-06 -5.613005010e-05 -8.365778361e-05 5.22 -3.806794928e-06 -4.947951645e-05 -7.374662735e-05 5.24 -3.361376181e-06 -4.363622394e-05 -6.503838206e-05 5.26 -2.969305293e-06 -3.849983726e-05 -5.738354419e-05 5.28 -2.624043669e-06 -3.398278529e-05 -5.065162810e-05 5.30 -2.319872571e-06 -3.000860010e-05 -4.472869142e-05 5.32 -2.051787995e-06 -2.651047692e-05 -3.951518962e-05 5.34 -1.815409308e-06 -2.343002503e-05 -3.492411489e-05 5.36 -1.606899838e-06 -2.071618368e-05 -3.087938106e-05 5.38 -1.422897805e-06 -1.832428080e-05 -2.731442116e-05 5.40 -1.260456209e-06 -1.621521532e-05 -2.417096908e-05 5.42 -1.116990505e-06 -1.435474644e-05 -2.139800068e-05 5.44 -9.902330173e-07 -1.271287563e-05 -1.895081300e-05 5.46 -8.781932236e-07 -1.126330898e-05 -1.679022319e-05 5.48 -7.791231177e-07 -9.982989199e-06 -1.488187120e-05 5.50 -6.914870026e-07 -8.851688051e-06 -1.319561252e-05 5.52 -6.139351281e-07 -7.851651316e-06 -1.170498917e-05 5.54 -5.452806728e-07 -6.967289257e-06 -1.038672827e-05 5.56 -4.844796385e-07 -6.184906704e-06 -9.220505619e-06 5.58 -4.306132807e-07 -5.492467551e-06 -8.188338341e-06 5.60 -3.828727481e-07 -4.879389178e-06 -7.274455193e-06 5.62 -3.405456457e-07 -4.336362925e-06 -6.464983348e-06 5.64 -3.030042782e-07 -3.855197235e-06 -5.747714669e-06 5.66 -2.696953572e-07 -3.428680539e-06 -5.111901397e-06 5.68 -2.401309863e-07 -3.050461352e-06 -4.548077485e-06 5.70 -2.138807626e-07 -2.714943365e-06 -4.047902276e-06 5.72 -1.905648524e-07 -2.417193621e-06 -3.604023667e-06 5.74 -1.698479196e-07 -2.152862104e-06 -3.209958297e-06 5.76 -1.514337983e-07 -1.918111290e-06 -2.859986561e-06 5.78 -1.350608175e-07 -1.709554407e-06 -2.549060609e-06 5.80 -1.204976956e-07 -1.524201296e-06 -2.272723671e-06 5.82 -1.075399341e-07 -1.359410917e-06 -2.027039277e-06 5.84 -9.600664870e-08 -1.212849669e-06 -1.808529156e-06 5.86 -8.573778301e-08 -1.082454802e-06 -1.614118698e-06 5.88 -7.659165850e-08 -9.664022716e-07 -1.441089062e-06 5.90 -6.844281852e-08 -8.630784988e-07 -1.287035080e-06 5.92 -6.118013082e-08 -7.710555421e-07 -1.149828269e-06 5.94 -5.470511675e-08 -6.890692638e-07 -1.027584280e-06 5.96 -4.893047944e-08 -6.160001205e-07 -9.186342801e-07 5.98 -4.377880682e-08 -5.508562559e-07 -8.214997496e-07 6.00 -3.918142840e-08 -4.927586146e-07 -7.348702983e-07