# 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 = CuFe3 # 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 1.985622821e+02 nan nan 1.16 1.792990318e+02 nan nan 1.18 1.618583821e+02 nan nan 1.20 1.460603023e+02 nan nan 1.22 1.317427951e+02 nan nan 1.24 1.187609229e+02 nan nan 1.26 1.069868290e+02 nan nan 1.28 9.630867956e+01 1.655546220e+02 1.958612599e+02 1.30 8.662759698e+01 1.506473270e+02 1.786821816e+02 1.32 7.785396947e+01 1.370236928e+02 1.629547338e+02 1.34 6.990500511e+01 1.245581596e+02 1.485559553e+02 1.36 6.270408505e+01 1.131435154e+02 1.353753582e+02 1.38 5.618102297e+01 1.026889477e+02 1.233121912e+02 1.40 5.027198932e+01 9.311619709e+01 1.122739890e+02 1.42 4.491881226e+01 8.435589263e+01 1.021753388e+02 1.44 4.006826670e+01 7.634500333e+01 9.293660099e+01 1.46 3.567173420e+01 6.902535950e+01 8.448293261e+01 1.48 3.168531671e+01 6.234286110e+01 7.674404059e+01 1.50 2.807079156e+01 5.624705244e+01 6.965485622e+01 1.52 2.479520661e+01 5.069085962e+01 6.315671981e+01 1.54 2.183001050e+01 4.563032508e+01 5.719813393e+01 1.56 1.914984945e+01 4.102428919e+01 5.173443428e+01 1.58 1.673143122e+01 3.683413890e+01 4.672656763e+01 1.60 1.455274533e+01 3.302352922e+01 4.213962550e+01 1.62 1.259269115e+01 2.955876847e+01 3.794161634e+01 1.64 1.083101057e+01 2.640882898e+01 3.410244045e+01 1.66 9.248427428e+00 2.354505857e+01 3.059354974e+01 1.68 7.826907406e+00 2.094080221e+01 2.738816663e+01 1.70 6.549887517e+00 1.857118566e+01 2.446123586e+01 1.72 5.402323524e+00 1.641311094e+01 2.178969220e+01 1.74 4.370557958e+00 1.444546330e+01 1.935259525e+01 1.76 3.442163429e+00 1.264942902e+01 1.713102960e+01 1.78 2.605897435e+00 1.100873115e+01 1.510778075e+01 1.80 1.851766440e+00 9.509612062e+00 1.326693514e+01 1.82 1.171094945e+00 8.140524096e+00 1.159352666e+01 1.84 5.565018000e-01 6.891627873e+00 1.007328358e+01 1.86 1.758207794e-03 5.754255490e+00 8.692489523e+00 1.88 -4.984352780e-01 4.720464702e+00 7.437965760e+00 1.90 -9.486943731e-01 3.782735979e+00 6.297179858e+00 1.92 -1.353167290e+00 2.933802138e+00 5.258461003e+00 1.94 -1.715683946e+00 2.166575148e+00 4.311256262e+00 1.96 -2.039822644e+00 1.474137208e+00 3.446331613e+00 1.98 -2.328910838e+00 8.497751699e-01 2.655841466e+00 2.00 -2.586002412e+00 2.870478941e-01 1.933250478e+00 2.02 -2.813871512e+00 -2.201203439e-01 1.273145962e+00 2.04 -3.015035630e+00 -6.773337675e-01 6.709972933e-01 2.06 -3.191795158e+00 -1.089630796e+00 1.229092472e-01 2.08 -3.346270753e+00 -1.461429838e+00 -3.745973200e-01 2.10 -3.480428542e+00 -1.796532962e+00 -8.247549382e-01 2.12 -3.596093135e+00 -2.098185543e+00 -1.230660058e+00 2.14 -3.694953057e+00 -2.369172998e+00 -1.595330802e+00 2.16 -3.778563013e+00 -2.611929458e+00 -1.921727951e+00 2.18 -3.848345206e+00 -2.828637179e+00 -2.212755837e+00 2.20 -3.905589793e+00 -3.021304316e+00 -2.471253944e+00 2.22 -3.951456342e+00 -3.191817373e+00 -2.699983305e+00 2.24 -3.987269626e+00 -3.341971014e+00 -2.901608458e+00 2.26 -4.013743120e+00 -3.473481439e+00 -3.078676546e+00 2.28 -4.031181183e+00 -3.587989495e+00 -3.233596995e+00 2.30 -4.039904082e+00 -3.687056531e+00 -3.368624835e+00 2.32 -4.040244531e+00 -3.772152418e+00 -3.485847934e+00 2.34 -4.032551792e+00 -3.844635207e+00 -3.587176355e+00 2.36 -4.017208506e+00 -3.905726642e+00 -3.674332964e+00 2.38 -3.994372884e+00 -3.956492820e+00 -3.748847273e+00 2.40 -3.963744497e+00 -3.997839329e+00 -3.812056356e+00 2.42 -3.925148929e+00 -4.030528287e+00 -3.865115987e+00 2.44 -3.878577736e+00 -4.055314127e+00 -3.909022463e+00 2.46 -3.824154839e+00 -4.072907402e+00 -3.944642634e+00 2.48 -3.762105565e+00 -4.083439227e+00 -3.972747687e+00 2.50 -3.692730261e+00 -4.087062286e+00 -3.994191044e+00 2.52 -3.616385628e+00 -4.083989879e+00 -4.009743461e+00 2.54 -3.533476708e+00 -4.074488465e+00 -4.019731399e+00 2.56 -3.444460221e+00 -4.058848084e+00 -4.024531224e+00 2.58 -3.349856719e+00 -4.037150832e+00 -4.024558918e+00 2.60 -3.250266475e+00 -4.009333137e+00 -4.020238294e+00 2.62 -3.146383118e+00 -3.975313417e+00 -4.011969596e+00 2.64 -3.038999285e+00 -3.935102071e+00 -4.000008538e+00 2.66 -2.928999408e+00 -3.888794515e+00 -3.984183007e+00 2.68 -2.817336348e+00 -3.836558183e+00 -3.964289138e+00 2.70 -2.704991642e+00 -3.778624603e+00 -3.940191051e+00 2.72 -2.592923450e+00 -3.715284030e+00 -3.911800213e+00 2.74 -2.482010541e+00 -3.646880633e+00 -3.879061158e+00 2.76 -2.373002906e+00 -3.573807294e+00 -3.841941679e+00 2.78 -2.266488637e+00 -3.496500082e+00 -3.800426521e+00 2.80 -2.162882788e+00 -3.415432623e+00 -3.754514049e+00 2.82 -2.062438600e+00 -3.331109810e+00 -3.704215399e+00 2.84 -1.965276588e+00 -3.244059350e+00 -3.649555519e+00 2.86 -1.871423848e+00 -3.154819356e+00 -3.590575251e+00 2.88 -1.780855120e+00 -3.063921246e+00 -3.527333528e+00 2.90 -1.693528231e+00 -2.971869011e+00 -3.459908754e+00 2.92 -1.609408850e+00 -2.879117636e+00 -3.388398741e+00 2.94 -1.528482421e+00 -2.786054298e+00 -3.312918936e+00 2.96 -1.450753882e+00 -2.692985497e+00 -3.233599235e+00 2.98 -1.376238087e+00 -2.600132040e+00 -3.150580086e+00 3.00 -1.304945195e+00 -2.507632122e+00 -3.064008950e+00 3.02 -1.236865595e+00 -2.415551477e+00 -2.974038275e+00 3.04 -1.171958233e+00 -2.323898769e+00 -2.880826022e+00 3.06 -1.110144776e+00 -2.232644260e+00 -2.784539444e+00 3.08 -1.051310375e+00 -2.141740034e+00 -2.685362321e+00 3.10 -9.953102942e-01 -2.051140435e+00 -2.583505307e+00 3.12 -9.419806804e-01 -1.960821704e+00 -2.479218527e+00 3.14 -8.911513266e-01 -1.870799981e+00 -2.372805125e+00 3.16 -8.426583642e-01 -1.781146775e+00 -2.264634242e+00 3.18 -7.963551923e-01 -1.692000884e+00 -2.155151703e+00 3.20 -7.521204733e-01 -1.603575572e+00 -2.044886646e+00 3.22 -7.098625480e-01 -1.516159800e+00 -1.934452302e+00 3.24 -6.695201043e-01 -1.430112550e+00 -1.824539247e+00 3.26 -6.310593491e-01 -1.345849821e+00 -1.715899964e+00 3.28 -5.944682947e-01 -1.263824771e+00 -1.609324485e+00 3.30 -5.597490455e-01 -1.184502481e+00 -1.505608273e+00 3.32 -5.269091545e-01 -1.108331800e+00 -1.405515077e+00 3.34 -4.959531503e-01 -1.035717368e+00 -1.309738743e+00 3.36 -4.668752376e-01 -9.669950139e-01 -1.218868548e+00 3.38 -4.396538027e-01 -9.024132688e-01 -1.133362234e+00 3.40 -4.142483341e-01 -8.421227226e-01 -1.053529736e+00 3.42 -3.905991325e-01 -7.861737355e-01 -9.795287881e-01 3.44 -3.686279679e-01 -7.345218068e-01 -9.113718171e-01 3.46 -3.482408844e-01 -6.870389891e-01 -8.489420103e-01 3.48 -3.293319210e-01 -6.435292494e-01 -7.920156073e-01 3.50 -3.117871454e-01 -6.037456188e-01 -7.402872300e-01 3.52 -2.954885464e-01 -5.674072603e-01 -6.933954083e-01 3.54 -2.803174607e-01 -5.342150619e-01 -6.509461187e-01 3.56 -2.661573555e-01 -5.038649043e-01 -6.125329423e-01 3.58 -2.528959088e-01 -4.760582429e-01 -5.777531797e-01 3.60 -2.404264253e-01 -4.505100230e-01 -5.462198525e-01 3.62 -2.286486842e-01 -4.269542056e-01 -5.175699188e-01 3.64 -2.174693502e-01 -4.051473095e-01 -4.914692582e-01 3.66 -2.068020882e-01 -3.848704172e-01 -4.676150732e-01 3.68 -1.965675208e-01 -3.659300558e-01 -4.457363375e-01 3.70 -1.866931544e-01 -3.481582902e-01 -4.255928632e-01 3.72 -1.771133855e-01 -3.314122623e-01 -4.069734557e-01 3.74 -1.677696744e-01 -3.155731071e-01 -3.896935305e-01 3.76 -1.586109516e-01 -3.005450919e-01 -3.735924743e-01 3.78 -1.495942883e-01 -2.862537756e-01 -3.585308416e-01 3.80 -1.406858211e-01 -2.726435206e-01 -3.443878134e-01 3.82 -1.318618676e-01 -2.596747511e-01 -3.310590635e-01 3.84 -1.231101109e-01 -2.473206589e-01 -3.184540560e-01 3.86 -1.144306616e-01 -2.355635134e-01 -3.064940492e-01 3.88 -1.058367546e-01 -2.243908379e-01 -2.951103185e-01 3.90 -9.735480519e-02 -2.137917873e-01 -2.842425798e-01 3.92 -8.902357071e-02 -2.037540652e-01 -2.738376066e-01 3.94 -8.089224555e-02 -1.942616499e-01 -2.638480287e-01 3.96 -7.301746491e-02 -1.852934631e-01 -2.542312975e-01 3.98 -6.545938738e-02 -1.768229692e-01 -2.449488017e-01 4.00 -5.827722303e-02 -1.688185506e-01 -2.359651193e-01 4.02 -5.152472106e-02 -1.612444408e-01 -2.272473943e-01 4.04 -4.524618097e-02 -1.540619599e-01 -2.187648293e-01 4.06 -3.947346808e-02 -1.472305511e-01 -2.104882891e-01 4.08 -3.422435314e-02 -1.407093813e-01 -2.023900139e-01 4.10 -2.950226610e-02 -1.344589458e-01 -1.944434437e-01 4.12 -2.529730230e-02 -1.284410227e-01 -1.866231601e-01 4.14 -2.158713310e-02 -1.226194354e-01 -1.789049530e-01 4.16 -1.834162639e-02 -1.169606347e-01 -1.712660205e-01 4.18 -1.552553736e-02 -1.114341465e-01 -1.636853121e-01 4.20 -1.309951108e-02 -1.060129492e-01 -1.561440172e-01 4.22 -1.102256304e-02 -1.006738362e-01 -1.486261985e-01 4.24 -9.254043592e-03 -9.539779321e-02 -1.411195532e-01 4.26 -7.755072512e-03 -9.017040280e-02 -1.336162695e-01 4.28 -6.489490747e-03 -8.498226139e-02 -1.261139251e-01 4.30 -5.424407958e-03 -7.982937088e-02 -1.186163468e-01 4.32 -4.530435392e-03 -7.471344539e-02 -1.111343279e-01 4.34 -3.781689659e-03 -6.964205738e-02 -1.036860841e-01 4.36 -3.155641347e-03 -6.462854156e-02 -9.629731860e-02 4.38 -2.632868238e-03 -5.969158337e-02 -8.900078938e-02 4.40 -2.196757966e-03 -5.485444371e-02 -8.183530485e-02 4.42 -1.833192658e-03 -5.014381363e-02 -7.484414133e-02 4.44 -1.530237045e-03 -4.558834569e-02 -6.807295475e-02 4.46 -1.277843833e-03 -4.121696420e-02 -6.156734242e-02 4.48 -1.067583996e-03 -3.705710228e-02 -5.537027904e-02 4.50 -8.924054236e-04 -3.313303706e-02 -4.951968671e-02 4.52 -7.464206907e-04 -2.946449126e-02 -4.404639285e-02 4.54 -6.247229532e-04 -2.606562448e-02 -3.897266347e-02 4.56 -5.232277301e-04 -2.294450327e-02 -3.431144604e-02 4.58 -4.385382308e-04 -2.010305243e-02 -3.006632803e-02 4.60 -3.678313446e-04 -1.753743518e-02 -2.623213309e-02 4.62 -3.087616666e-04 -1.523843345e-02 -2.279551599e-02 4.64 -2.593810160e-04 -1.319261760e-02 -1.973672361e-02 4.66 -2.180711800e-04 -1.138448131e-02 -1.703282422e-02 4.68 -1.834878507e-04 -9.796231212e-03 -1.465740052e-02 4.70 -1.545139792e-04 -8.408770904e-03 -1.258203382e-02 4.72 -1.302210254e-04 -7.202581098e-03 -1.077763250e-02 4.74 -1.098368076e-04 -6.158418772e-03 -9.215487505e-03 4.76 -9.271884612e-05 -5.257836848e-03 -7.868057377e-03 4.78 -7.833227173e-05 -4.483540834e-03 -6.709507786e-03 4.80 -6.623152658e-05 -3.819606943e-03 -5.716042477e-03 4.82 -5.604520749e-05 -3.251589176e-03 -4.866066893e-03 4.84 -4.746351017e-05 -2.766541776e-03 -4.140224544e-03 4.86 -4.022782691e-05 -2.352981173e-03 -3.521341921e-03 4.88 -3.412212676e-05 -2.000807093e-03 -2.994311929e-03 4.90 -2.896580968e-05 -1.701198833e-03 -2.545939734e-03 4.92 -2.460777902e-05 -1.446498756e-03 -2.164769189e-03 4.94 -2.092152338e-05 -1.230091779e-03 -1.840903059e-03 4.96 -1.780103319e-05 -1.046286953e-03 -1.565826202e-03 4.98 -1.515740800e-05 -8.902050699e-04 -1.332237663e-03 5.00 -1.291603588e-05 -7.576746674e-04 -1.133895243e-03 5.02 -1.101424726e-05 -6.451375979e-04 -9.654743204e-04 5.04 -9.399361653e-06 -5.495645444e-04 -8.224415180e-04 5.06 -8.027060274e-06 -4.683802990e-04 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