# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2026--Wu-Y-Yan-G-Yu-P-et-al--Hf-Nb-Zr-Ti-Ta # implementation = 2026--Wu-Y--Hf-Nb-Zr-Ti-Ta--LAMMPS--ipr1 # composition = Nb3Zr # 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 2026-06-16 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 4.005334524e+02 nan nan 1.14 3.708368274e+02 nan nan 1.16 3.434299431e+02 nan nan 1.18 3.181107172e+02 nan nan 1.20 2.946976503e+02 nan nan 1.22 2.730284522e+02 nan nan 1.24 2.529580436e+02 nan nan 1.26 2.343556682e+02 3.490541253e+02 nan 1.28 2.171015716e+02 3.252838983e+02 3.681495940e+02 1.30 2.010872804e+02 3.031885189e+02 3.437483368e+02 1.32 1.862168865e+02 2.826371664e+02 3.210250549e+02 1.34 1.724049241e+02 2.635090811e+02 2.998443167e+02 1.36 1.595728310e+02 2.456921162e+02 2.800855357e+02 1.38 1.476485200e+02 2.290829531e+02 2.616414159e+02 1.40 1.365671201e+02 2.135888363e+02 2.444154115e+02 1.42 1.262686326e+02 1.991256738e+02 2.283194888e+02 1.44 1.166953083e+02 1.856145658e+02 2.132729483e+02 1.46 1.077904624e+02 1.729819748e+02 1.992020827e+02 1.48 9.949885601e+01 1.611618997e+02 1.860380162e+02 1.50 9.176882458e+01 1.500960575e+02 1.737160160e+02 1.52 8.455404789e+01 1.397313233e+02 1.621763875e+02 1.54 7.781403324e+01 1.300174852e+02 1.513642651e+02 1.56 7.151352057e+01 1.209078613e+02 1.412284290e+02 1.58 6.562183692e+01 1.123613822e+02 1.317208881e+02 1.60 6.011224376e+01 1.043429452e+02 1.227980743e+02 1.62 5.496709516e+01 9.682187818e+01 1.144208616e+02 1.64 5.018727377e+01 8.976971336e+01 1.065530130e+02 1.66 4.575112272e+01 8.315894356e+01 9.915997972e+01 1.68 4.163571438e+01 7.696301436e+01 9.220922801e+01 1.70 3.781982841e+01 7.115661491e+01 8.567116709e+01 1.72 3.428340422e+01 6.571575240e+01 7.951932691e+01 1.74 3.100733561e+01 6.061747415e+01 7.372966719e+01 1.76 2.797341253e+01 5.584228035e+01 6.827989507e+01 1.78 2.516461849e+01 5.138421419e+01 6.314937092e+01 1.80 2.256502629e+01 4.722674658e+01 5.831935601e+01 1.82 2.015989166e+01 4.334718288e+01 5.378361714e+01 1.84 1.793541990e+01 3.972507418e+01 4.954217738e+01 1.86 1.587868740e+01 3.634271399e+01 4.557895439e+01 1.88 1.397766235e+01 3.318499196e+01 4.187790009e+01 1.90 1.222122619e+01 3.023889675e+01 3.842316631e+01 1.92 1.059919961e+01 2.749280939e+01 3.519901398e+01 1.94 9.102266257e+00 2.493584700e+01 3.219031703e+01 1.96 7.721759484e+00 2.255725579e+01 2.938285527e+01 1.98 6.449420357e+00 2.034612495e+01 2.676341017e+01 2.00 5.277237822e+00 1.829132338e+01 2.431958179e+01 2.02 4.197572198e+00 1.638165841e+01 2.203967729e+01 2.04 3.203321248e+00 1.460615906e+01 1.991260786e+01 2.06 2.287932234e+00 1.295439966e+01 1.792793401e+01 2.08 1.445259084e+00 1.141678135e+01 1.607591429e+01 2.10 6.694337547e-01 9.984678011e+00 1.434761860e+01 2.12 -4.514179763e-02 8.650456436e+00 1.273506490e+01 2.14 -7.037602781e-01 7.407339427e+00 1.123124813e+01 2.16 -1.311271683e+00 6.249389205e+00 9.829966403e+00 2.18 -1.872058848e+00 5.171290105e+00 8.525466493e+00 2.20 -2.389990327e+00 4.168230955e+00 7.312113196e+00 2.22 -2.868415622e+00 3.235792836e+00 6.184181176e+00 2.24 -3.310198073e+00 2.369879219e+00 5.135857903e+00 2.26 -3.717817857e+00 1.566647775e+00 4.161317025e+00 2.28 -4.093447273e+00 8.224101523e-01 3.255005331e+00 2.30 -4.439061996e+00 1.335485138e-01 2.411733725e+00 2.32 -4.756566682e+00 -5.036178535e-01 1.626794060e+00 2.34 -5.047694352e+00 -1.092839396e+00 8.960004590e-01 2.36 -5.314121358e+00 -1.637836424e+00 2.156702547e-01 2.38 -5.557320228e+00 -2.142189866e+00 -4.173889436e-01 2.40 -5.778649415e+00 -2.609159456e+00 -1.005964346e+00 2.42 -5.979401382e+00 -3.041677567e+00 -1.552529818e+00 2.44 -6.160873790e+00 -3.442335680e+00 -2.059339368e+00 2.46 -6.324383586e+00 -3.813407300e+00 -2.528603773e+00 2.48 -6.471202231e+00 -4.156880864e+00 -2.962451749e+00 2.50 -6.602457524e+00 -4.474505023e+00 -3.363039240e+00 2.52 -6.719070758e+00 -4.767846008e+00 -3.732482636e+00 2.54 -6.821757374e+00 -5.038348470e+00 -4.072778068e+00 2.56 -6.911074347e+00 -5.287380920e+00 -4.385734656e+00 2.58 -6.986701838e+00 -5.516241477e+00 -4.672949187e+00 2.60 -7.049104644e+00 -5.726206637e+00 -4.935897000e+00 2.62 -7.098927737e+00 -5.918424885e+00 -5.175917361e+00 2.64 -7.136741363e+00 -6.093962007e+00 -5.394339762e+00 2.66 -7.163146370e+00 -6.253766980e+00 -5.592517054e+00 2.68 -7.178775940e+00 -6.398665757e+00 -5.771849367e+00 2.70 -7.184241411e+00 -6.529373007e+00 -5.933778585e+00 2.72 -7.180118686e+00 -6.646521206e+00 -6.079757227e+00 2.74 -7.166871881e+00 -6.750676751e+00 -6.211198136e+00 2.76 -7.144729988e+00 -6.842437616e+00 -6.329445618e+00 2.78 -7.113851080e+00 -6.922351856e+00 -6.435714629e+00 2.80 -7.074201236e+00 -6.991028255e+00 -6.531088214e+00 2.82 -7.025780161e+00 -7.048712126e+00 -6.616505466e+00 2.84 -6.968684502e+00 -7.095514683e+00 -6.692767075e+00 2.86 -6.903081905e+00 -7.132166899e+00 -6.760553273e+00 2.88 -6.829363309e+00 -7.159378200e+00 -6.820252292e+00 2.90 -6.747836417e+00 -7.177834830e+00 -6.871938935e+00 2.92 -6.658853797e+00 -7.188211309e+00 -6.916134943e+00 2.94 -6.562705222e+00 -7.191130282e+00 -6.953469271e+00 2.96 -6.459595260e+00 -7.187139470e+00 -6.984440806e+00 2.98 -6.349661010e+00 -7.176715253e+00 -7.009557865e+00 3.00 -6.233018691e+00 -7.160109553e+00 -7.029266476e+00 3.02 -6.109822141e+00 -7.137357105e+00 -7.043893974e+00 3.04 -5.980316912e+00 -7.108376461e+00 -7.053643803e+00 3.06 -5.844882951e+00 -7.073023711e+00 -7.058615410e+00 3.08 -5.704060305e+00 -7.031220760e+00 -7.058699435e+00 3.10 -5.558555940e+00 -6.982802673e+00 -7.053545363e+00 3.12 -5.409230640e+00 -6.927638722e+00 -7.042805088e+00 3.14 -5.257065132e+00 -6.865607083e+00 -7.026191130e+00 3.16 -5.103110079e+00 -6.796606327e+00 -7.003471596e+00 3.18 -4.948424341e+00 -6.720570717e+00 -6.974499708e+00 3.20 -4.794012921e+00 -6.637489340e+00 -6.939171904e+00 3.22 -4.640771602e+00 -6.547426745e+00 -6.897462749e+00 3.24 -4.489449870e+00 -6.450543909e+00 -6.849421617e+00 3.26 -4.340631903e+00 -6.347114283e+00 -6.795175675e+00 3.28 -4.194738441e+00 -6.237532145e+00 -6.734926794e+00 3.30 -4.052041604e+00 -6.122308919e+00 -6.668939481e+00 3.32 -3.912689104e+00 -6.002058704e+00 -6.597519453e+00 3.34 -3.776732593e+00 -5.877468180e+00 -6.520986237e+00 3.36 -3.644163273e+00 -5.749306461e+00 -6.439646543e+00 3.38 -3.514877177e+00 -5.618352369e+00 -6.353774289e+00 3.40 -3.388923942e+00 -5.485414686e+00 -6.263599668e+00 3.42 -3.266204915e+00 -5.351302134e+00 -6.169306028e+00 3.44 -3.146704558e+00 -5.216791842e+00 -6.071033234e+00 3.46 -3.030432745e+00 -5.082586387e+00 -5.968843166e+00 3.48 -2.917414784e+00 -4.949262639e+00 -5.862861137e+00 3.50 -2.807676818e+00 -4.817228613e+00 -5.753067661e+00 3.52 -2.701230309e+00 -4.686699742e+00 -5.639446262e+00 3.54 -2.598060482e+00 -4.557703237e+00 -5.521946915e+00 3.56 -2.498123326e+00 -4.430106594e+00 -5.400489863e+00 3.58 -2.401349301e+00 -4.303661424e+00 -5.274971897e+00 3.60 -2.307655035e+00 -4.178051971e+00 -5.145275883e+00 3.62 -2.216955694e+00 -4.052940222e+00 -5.011284402e+00 3.64 -2.129175332e+00 -3.928004482e+00 -4.872898438e+00 3.66 -2.044250666e+00 -3.802969877e+00 -4.730061572e+00 3.68 -1.962128199e+00 -3.677632079e+00 -4.582789377e+00 3.70 -1.882759099e+00 -3.551875093e+00 -4.431203734e+00 3.72 -1.806096133e+00 -3.425684756e+00 -4.275569818e+00 3.74 -1.732096542e+00 -3.299156452e+00 -4.116329956e+00 3.76 -1.660730233e+00 -3.172497996e+00 -3.954128579e+00 3.78 -1.591989005e+00 -3.046026618e+00 -3.789820808e+00 3.80 -1.525891873e+00 -2.920159430e+00 -3.624457399e+00 3.82 -1.462482338e+00 -2.795396721e+00 -3.459243661e+00 3.84 -1.401818552e+00 -2.672299642e+00 -3.295477027e+00 3.86 -1.343944357e+00 -2.551446115e+00 -3.134449199e+00 3.88 -1.288936001e+00 -2.433473917e+00 -2.977470822e+00 3.90 -1.236793936e+00 -2.318938267e+00 -2.825651581e+00 3.92 -1.187502750e+00 -2.208368087e+00 -2.679964333e+00 3.94 -1.141024845e+00 -2.102226185e+00 -2.541187699e+00 3.96 -1.097292241e+00 -2.000898105e+00 -2.409894576e+00 3.98 -1.056209794e+00 -1.904686656e+00 -2.286452990e+00 4.00 -1.017661058e+00 -1.813811226e+00 -2.171037531e+00 4.02 -9.815139330e-01 -1.728415043e+00 -2.063648862e+00 4.04 -9.476254864e-01 -1.648486337e+00 -1.964137445e+00 4.06 -9.158462684e-01 -1.574130532e+00 -1.872229916e+00 4.08 -8.860242917e-01 -1.505172825e+00 -1.787557394e+00 4.10 -8.580084157e-01 -1.441432249e+00 -1.709682496e+00 4.12 -8.316511858e-01 -1.382658826e+00 -1.638124049e+00 4.14 -8.068111182e-01 -1.328546315e+00 -1.572378796e+00 4.16 -7.833544523e-01 -1.278748625e+00 -1.511939459e+00 4.18 -7.611563376e-01 -1.232897602e+00 -1.456308995e+00 4.20 -7.401015498e-01 -1.190619726e+00 -1.405011107e+00 4.22 -7.200847416e-01 -1.151550037e+00 -1.357597392e+00 4.24 -7.010104075e-01 -1.115342659e+00 -1.313651826e+00 4.26 -6.827926232e-01 -1.081675820e+00 -1.272793103e+00 4.28 -6.653222435e-01 -1.050256620e+00 -1.234674854e+00 4.30 -6.486016532e-01 -1.020828765e+00 -1.198984752e+00 4.32 -6.325299319e-01 -9.931639281e-01 -1.165442917e+00 4.34 -6.170535889e-01 -9.670607059e-01 -1.133799514e+00 4.36 -6.021253480e-01 -9.423428766e-01 -1.103832051e+00 4.38 -5.877034997e-01 -9.188572002e-01 -1.075342808e+00 4.40 -5.737512724e-01 -8.964709662e-01 -1.048156318e+00 4.42 -5.602362284e-01 -8.750694458e-01 -1.022116925e+00 4.44 -5.471306081e-01 -8.545535909e-01 -9.970895976e-01 4.46 -5.343877528e-01 -8.348379730e-01 -9.728857484e-01 4.48 -5.220290803e-01 -8.158488452e-01 -9.495371474e-01 4.50 -5.100105992e-01 -7.975224793e-01 -9.268767919e-01 4.52 -4.983147615e-01 -7.798037630e-01 -9.048286267e-01 4.54 -4.869258766e-01 -7.626449435e-01 -8.833315396e-01 4.56 -4.758298595e-01 -7.460045362e-01 -8.623397883e-01 4.58 -4.650140195e-01 -7.298464253e-01 -8.418232952e-01 4.60 -4.544668776e-01 -7.141390899e-01 -8.217673584e-01 4.62 -4.441779987e-01 -6.988549135e-01 -8.021713835e-01 4.64 -4.341378548e-01 -6.839696179e-01 -7.830455075e-01 4.66 -4.243377077e-01 -6.694617895e-01 -7.644073522e-01 4.68 -4.147695040e-01 -6.553124539e-01 -7.462813954e-01 4.70 -4.054257850e-01 -6.415047356e-01 -7.286912580e-01 4.72 -3.962996128e-01 -6.279920861e-01 -7.116554060e-01 4.74 -3.873845048e-01 -6.148297336e-01 -6.951841392e-01 4.76 -3.786743751e-01 -6.019669012e-01 -6.792780838e-01 4.78 -3.701634878e-01 -5.893926851e-01 -6.639282016e-01 4.80 -3.618464145e-01 -5.770971042e-01 -6.491170004e-01 4.82 -3.537179979e-01 -5.650709682e-01 -6.348204799e-01 4.84 -3.457733192e-01 -5.533057693e-01 -6.210103561e-01 4.86 -3.380076719e-01 -5.417935899e-01 -6.076561805e-01 4.88 -3.304165362e-01 -5.305270175e-01 -5.947271107e-01 4.90 -3.229955572e-01 -5.194990716e-01 -5.821932450e-01 4.92 -3.157405258e-01 -5.087031418e-01 -5.700265205e-01 4.94 -3.086473605e-01 -4.981329307e-01 -5.582012271e-01 4.96 -3.017120903e-01 -4.877824011e-01 -5.466942219e-01 4.98 -2.949308392e-01 -4.776457306e-01 -5.354849355e-01 5.00 -2.882998105e-01 -4.677172685e-01 -5.245552422e-01 5.02 -2.818152721e-01 -4.579914939e-01 -5.138892490e-01 5.04 -2.754735400e-01 -4.484629760e-01 -5.034730511e-01 5.06 -2.692709633e-01 -4.391263369e-01 -4.932944812e-01 5.08 -2.632039068e-01 -4.299762114e-01 -4.833428660e-01 5.10 -2.572687325e-01 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-1.680843911e-01 -2.830836003e-01 -3.289005657e-01 5.48 -1.637329688e-01 -2.761937430e-01 -3.223028150e-01 5.50 -1.593852567e-01 -2.693207441e-01 -3.158350761e-01 5.52 -1.550278031e-01 -2.624579816e-01 -3.094947376e-01 5.54 -1.506461769e-01 -2.556014116e-01 -3.032792207e-01 5.56 -1.462250704e-01 -2.487503170e-01 -2.971859754e-01 5.58 -1.417484816e-01 -2.419079584e-01 -2.912124752e-01 5.60 -1.372000130e-01 -2.350821537e-01 -2.853562129e-01 5.62 -1.325632889e-01 -2.282855527e-01 -2.796146944e-01 5.64 -1.278225315e-01 -2.215356361e-01 -2.739854330e-01 5.66 -1.229633103e-01 -2.148537464e-01 -2.684659423e-01 5.68 -1.179734417e-01 -2.082635967e-01 -2.630537284e-01 5.70 -1.128440866e-01 -2.017931855e-01 -2.577462814e-01 5.72 -1.075694282e-01 -1.954712496e-01 -2.525410657e-01 5.74 -1.021499019e-01 -1.893252682e-01 -2.474355084e-01 5.76 -9.659415801e-02 -1.833797090e-01 -2.424269880e-01 5.78 -9.091883243e-02 -1.776546225e-01 -2.375128193e-01 5.80 -8.514915505e-02 -1.721646012e-01 -2.326902383e-01 5.82 -7.931894426e-02 -1.669183335e-01 -2.279563845e-01 5.84 -7.347001739e-02 -1.619185916e-01 -2.233082818e-01 5.86 -6.765072195e-02 -1.571627182e-01 -2.187428189e-01 5.88 -6.191386467e-02 -1.526433609e-01 -2.142567179e-01 5.90 -5.631401509e-02 -1.483494251e-01 -2.098465101e-01 5.92 -5.090450793e-02 -1.442670433e-01 -2.055085068e-01 5.94 -4.573452658e-02 -1.403805039e-01 -2.012387651e-01 5.96 -4.084645236e-02 -1.366730581e-01 -1.970330544e-01 5.98 -3.627392012e-02 -1.331275660e-01 -1.928868163e-01 6.00 -3.204064549e-02 -1.297269911e-01 -1.887951221e-01