# 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 = NiTi3 # 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 2.524287208e+02 nan nan 1.16 2.315632658e+02 nan nan 1.18 2.124389445e+02 nan nan 1.20 1.948996094e+02 nan nan 1.22 1.788050803e+02 nan nan 1.24 1.640290799e+02 nan nan 1.26 1.504572262e+02 nan nan 1.28 1.379856986e+02 2.174861641e+02 2.507557226e+02 1.30 1.265206009e+02 2.009017416e+02 2.321304932e+02 1.32 1.159769083e+02 1.855831048e+02 2.148989262e+02 1.34 1.062770133e+02 1.714238157e+02 1.989494214e+02 1.36 9.734995436e+01 1.583276608e+02 1.841802219e+02 1.38 8.913119722e+01 1.462092302e+02 1.704984333e+02 1.40 8.156220743e+01 1.349921618e+02 1.578191894e+02 1.42 7.458982991e+01 1.246069430e+02 1.460646428e+02 1.44 6.816578838e+01 1.149898741e+02 1.351633512e+02 1.46 6.224610109e+01 1.060828072e+02 1.250500331e+02 1.48 5.679036194e+01 9.783250749e+01 1.156649582e+02 1.50 5.176142097e+01 9.018961072e+01 1.069530138e+02 1.52 4.712559225e+01 8.310790674e+01 9.886328147e+01 1.54 4.285268033e+01 7.654425595e+01 9.134931953e+01 1.56 3.891530449e+01 7.045885431e+01 8.436930102e+01 1.58 3.528791511e+01 6.481535607e+01 7.788531408e+01 1.60 3.194622490e+01 5.958066929e+01 7.186219858e+01 1.62 2.886729908e+01 5.472464091e+01 6.626675539e+01 1.64 2.602991528e+01 5.021976155e+01 6.106769198e+01 1.66 2.341485027e+01 4.604074179e+01 5.623593137e+01 1.68 2.100495021e+01 4.216395635e+01 5.174468463e+01 1.70 1.878392580e+01 3.856706551e+01 4.756920360e+01 1.72 1.673676380e+01 3.522904421e+01 4.368656882e+01 1.74 1.484980150e+01 3.213046822e+01 4.007565219e+01 1.76 1.311074936e+01 2.925369349e+01 3.671710033e+01 1.78 1.150862814e+01 2.658276732e+01 3.359321886e+01 1.80 1.003359223e+01 2.410322369e+01 3.068777566e+01 1.82 8.676680562e+00 2.180232308e+01 2.798576573e+01 1.84 7.429572714e+00 1.966825938e+01 2.547320588e+01 1.86 6.284401983e+00 1.768998777e+01 2.313713670e+01 1.88 5.233646588e+00 1.585721212e+01 2.096587454e+01 1.90 4.270108438e+00 1.416014723e+01 1.894819937e+01 1.92 3.386969892e+00 1.258936347e+01 1.707362322e+01 1.94 2.577882914e+00 1.113576108e+01 1.533232419e+01 1.96 1.837032740e+00 9.790672328e+00 1.371509246e+01 1.98 1.159150769e+00 8.546021670e+00 1.221336029e+01 2.00 5.394798831e-01 7.394429734e+00 1.081924286e+01 2.02 -2.629743167e-02 6.329194989e+00 9.525525817e+00 2.04 -5.421506093e-01 5.344187921e+00 8.325602412e+00 2.06 -1.011787647e+00 4.433747162e+00 7.213395304e+00 2.08 -1.438713775e+00 3.592637366e+00 6.183283907e+00 2.10 -1.826258071e+00 2.816060521e+00 5.230031502e+00 2.12 -2.177577818e+00 2.099668419e+00 4.348705696e+00 2.14 -2.495647406e+00 1.439534376e+00 3.534592319e+00 2.16 -2.783233303e+00 8.320818872e-01 2.783116498e+00 2.18 -3.042861455e+00 2.739921911e-01 2.089796092e+00 2.20 -3.276795988e+00 -2.378853757e-01 1.450253204e+00 2.22 -3.487043188e+00 -7.066065578e-01 8.602939158e-01 2.24 -3.675380651e+00 -1.135177799e+00 3.160222029e-01 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-4.388383366e+00 2.62 -4.660562496e+00 -4.667149959e+00 -4.468836383e+00 2.64 -4.636964153e+00 -4.709381183e+00 -4.538775162e+00 2.66 -4.609373748e+00 -4.743375128e+00 -4.599192650e+00 2.68 -4.577678213e+00 -4.769741686e+00 -4.650931688e+00 2.70 -4.541828369e+00 -4.789122718e+00 -4.694691060e+00 2.72 -4.501838509e+00 -4.802009466e+00 -4.731050062e+00 2.74 -4.457776457e+00 -4.808803534e+00 -4.760500309e+00 2.76 -4.409755828e+00 -4.809902177e+00 -4.783499967e+00 2.78 -4.357929239e+00 -4.805704870e+00 -4.800583241e+00 2.80 -4.302482420e+00 -4.796601703e+00 -4.812020411e+00 2.82 -4.243628678e+00 -4.782964726e+00 -4.818057155e+00 2.84 -4.181604685e+00 -4.765141347e+00 -4.818968780e+00 2.86 -4.116666356e+00 -4.743346856e+00 -4.815058775e+00 2.88 -4.049084689e+00 -4.717650120e+00 -4.806653774e+00 2.90 -3.979139284e+00 -4.688016046e+00 -4.794095843e+00 2.92 -3.907110810e+00 -4.654383176e+00 -4.777731827e+00 2.94 -3.833272190e+00 -4.616764439e+00 -4.757840799e+00 2.96 -3.757880468e+00 -4.575244382e+00 -4.734470362e+00 2.98 -3.681172919e+00 -4.529972057e+00 -4.707619262e+00 3.00 -3.603368433e+00 -4.481155278e+00 -4.677242807e+00 3.02 -3.524674523e+00 -4.429053667e+00 -4.643324435e+00 3.04 -3.445297884e+00 -4.373967477e+00 -4.605883795e+00 3.06 -3.365455035e+00 -4.316221393e+00 -4.564971840e+00 3.08 -3.285379147e+00 -4.256143486e+00 -4.520667639e+00 3.10 -3.205319976e+00 -4.194045523e+00 -4.473075774e+00 3.12 -3.125535907e+00 -4.130207685e+00 -4.422323614e+00 3.14 -3.046279901e+00 -4.064871823e+00 -4.368558240e+00 3.16 -2.967783536e+00 -3.998241484e+00 -4.311943025e+00 3.18 -2.890244002e+00 -3.930488473e+00 -4.252654219e+00 3.20 -2.813817415e+00 -3.861761010e+00 -4.190878058e+00 3.22 -2.738619047e+00 -3.792191528e+00 -4.126809357e+00 3.24 -2.664728586e+00 -3.721902522e+00 -4.060651648e+00 3.26 -2.592197578e+00 -3.651010089e+00 -3.992619882e+00 3.28 -2.521056688e+00 -3.579625465e+00 -3.922944473e+00 3.30 -2.451321620e+00 -3.507855230e+00 -3.851875464e+00 3.32 -2.382997541e+00 -3.435800797e+00 -3.779684554e+00 3.34 -2.316082258e+00 -3.363557775e+00 -3.706662709e+00 3.36 -2.250568875e+00 -3.291215614e+00 -3.633111992e+00 3.38 -2.186447096e+00 -3.218857844e+00 -3.559331967e+00 3.40 -2.123704679e+00 -3.146563101e+00 -3.485603079e+00 3.42 -2.062327968e+00 -3.074407234e+00 -3.412170741e+00 3.44 -2.002302415e+00 -3.002465888e+00 -3.339233848e+00 3.46 -1.943612256e+00 -2.930818090e+00 -3.266940012e+00 3.48 -1.886240730e+00 -2.859549693e+00 -3.195387736e+00 3.50 -1.830169894e+00 -2.788756176e+00 -3.124633765e+00 3.52 -1.775380944e+00 -2.718543815e+00 -3.054704138e+00 3.54 -1.721853846e+00 -2.649028420e+00 -2.985603983e+00 3.56 -1.669567824e+00 -2.580331251e+00 -2.917327867e+00 3.58 -1.618501434e+00 -2.512572457e+00 -2.849867042e+00 3.60 -1.568632682e+00 -2.445863192e+00 -2.783214543e+00 3.62 -1.519939057e+00 -2.380298048e+00 -2.717368135e+00 3.64 -1.472397465e+00 -2.315949490e+00 -2.652331543e+00 3.66 -1.425984077e+00 -2.252865370e+00 -2.588114425e+00 3.68 -1.380674131e+00 -2.191069758e+00 -2.524731517e+00 3.70 -1.336441743e+00 -2.130566520e+00 -2.462201312e+00 3.72 -1.293259799e+00 -2.071344585e+00 -2.400544547e+00 3.74 -1.251099990e+00 -2.013383787e+00 -2.339782706e+00 3.76 -1.209933064e+00 -1.956660349e+00 -2.279936661e+00 3.78 -1.169729334e+00 -1.901151437e+00 -2.221025554e+00 3.80 -1.130459473e+00 -1.846838461e+00 -2.163065932e+00 3.82 -1.092095609e+00 -1.793709059e+00 -2.106071172e+00 3.84 -1.054612691e+00 -1.741757787e+00 -2.050051169e+00 3.86 -1.017990050e+00 -1.690985648e+00 -1.995012290e+00 3.88 -9.822130361e-01 -1.641398653e+00 -1.940957573e+00 3.90 -9.472745470e-01 -1.593005679e+00 -1.887887157e+00 3.92 -9.131761628e-01 -1.545815892e+00 -1.835798838e+00 3.94 -8.799289661e-01 -1.499836517e+00 -1.784689329e+00 3.96 -8.475529046e-01 -1.455070235e+00 -1.734554610e+00 3.98 -8.160757743e-01 -1.411513927e+00 -1.685391486e+00 4.00 -7.855308239e-01 -1.369157759e+00 -1.637198530e+00 4.02 -7.559535409e-01 -1.327985069e+00 -1.589976987e+00 4.04 -7.273778984e-01 -1.287972859e+00 -1.543731318e+00 4.06 -6.998325417e-01 -1.249092690e+00 -1.498469215e+00 4.08 -6.733374389e-01 -1.211311786e+00 -1.454200932e+00 4.10 -6.479014396e-01 -1.174593979e+00 -1.410937924e+00 4.12 -6.235210118e-01 -1.138901587e+00 -1.368690867e+00 4.14 -6.001802073e-01 -1.104195027e+00 -1.327467352e+00 4.16 -5.778516999e-01 -1.070434471e+00 -1.287269613e+00 4.18 -5.564986010e-01 -1.037580206e+00 -1.248092695e+00 4.20 -5.360765589e-01 -1.005593131e+00 -1.209923419e+00 4.22 -5.165366908e-01 -9.744352071e-01 -1.172740301e+00 4.24 -4.978268177e-01 -9.440698949e-01 -1.136514463e+00 4.26 -4.798939735e-01 -9.144626219e-01 -1.101211360e+00 4.28 -4.626856770e-01 -8.855813012e-01 -1.066793083e+00 4.30 -4.461509753e-01 -8.573969031e-01 -1.033220938e+00 4.32 -4.302411235e-01 -8.298840607e-01 -1.000458045e+00 4.34 -4.149099671e-01 -8.030216683e-01 -9.684717167e-01 4.36 -4.001140705e-01 -7.767934112e-01 -9.372354556e-01 4.38 -3.858128529e-01 -7.511881454e-01 -9.067304220e-01 4.40 -3.719682982e-01 -7.262000441e-01 -8.769462782e-01 4.42 -3.585449775e-01 -7.018284282e-01 -8.478813346e-01 4.44 -3.455098950e-01 -6.780772267e-01 -8.195419680e-01 4.46 -3.328324154e-01 -6.549540496e-01 -7.919413395e-01 4.48 -3.204842641e-01 -6.324689096e-01 -7.650975072e-01 4.50 -3.084396209e-01 -6.106326873e-01 -7.390311034e-01 4.52 -2.966753243e-01 -5.894554794e-01 -7.137625734e-01 4.54 -2.851711889e-01 -5.689450005e-01 -6.893106956e-01 4.56 -2.739104267e-01 -5.491052054e-01 -6.656888923e-01 4.58 -2.628801447e-01 -5.299352676e-01 -6.429046954e-01 4.60 -2.520718702e-01 -5.114289971e-01 -6.209584933e-01 4.62 -2.414820312e-01 -4.935747161e-01 -5.998432430e-01 4.64 -2.311123002e-01 -4.763555505e-01 -5.795447959e-01 4.66 -2.209696971e-01 -4.597500534e-01 -5.600427086e-01 4.68 -2.110663518e-01 -4.437330541e-01 -5.413113739e-01 4.70 -2.014188505e-01 -4.282766249e-01 -5.233213049e-01 4.72 -1.920471390e-01 -4.133510752e-01 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-3.043498984e-02 -1.042388749e-01 -1.538857745e-01 5.46 -2.890149586e-02 -1.001192017e-01 -1.480535750e-01 5.48 -2.744688623e-02 -9.607729127e-02 -1.422882383e-01 5.50 -2.606218573e-02 -9.210164847e-02 -1.365797402e-01 5.52 -2.473892897e-02 -8.818194615e-02 -1.309188184e-01 5.54 -2.346922145e-02 -8.430912995e-02 -1.252971767e-01 5.56 -2.224599613e-02 -8.047555212e-02 -1.197080551e-01 5.58 -2.106308412e-02 -7.667513138e-02 -1.141461567e-01 5.60 -1.991522580e-02 -7.290353249e-02 -1.086082923e-01 5.62 -1.879811378e-02 -6.915835319e-02 -1.030936663e-01 5.64 -1.770841964e-02 -6.543930247e-02 -9.760421604e-02 5.66 -1.664380389e-02 -6.174834957e-02 -9.214489899e-02 5.68 -1.560290683e-02 -5.808982004e-02 -8.672389265e-02 5.70 -1.458531680e-02 -5.447041390e-02 -8.135267082e-02 5.72 -1.359151175e-02 -5.089912247e-02 -7.604592167e-02 5.74 -1.262277089e-02 -4.738702571e-02 -7.082128098e-02 5.76 -1.168105494e-02 -4.394695954e-02 -6.569886684e-02 5.78 -1.076885641e-02 -4.059290367e-02 -6.070062112e-02 5.80 -9.889024687e-03 -3.733967549e-02 -5.584948094e-02 5.82 -9.044574188e-03 -3.420231323e-02 -5.116843167e-02 5.84 -8.238487074e-03 -3.119525398e-02 -4.667950537e-02 5.86 -7.473523432e-03 -2.833167062e-02 -4.240280077e-02 5.88 -6.752052197e-03 -2.562287825e-02 -3.835560314e-02 5.90 -6.075914340e-03 -2.307785556e-02 -3.455167238e-02 5.92 -5.446326671e-03 -2.070281438e-02 -3.100058442e-02 5.94 -4.863830368e-03 -1.850099489e-02 -2.770742782e-02 5.96 -4.328283868e-03 -1.647322386e-02 -2.467371066e-02 5.98 -3.838895642e-03 -1.461762340e-02 -2.189685872e-02 6.00 -3.394289343e-03 -1.292985887e-02 -1.937044348e-02