# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Kushnerov-O-I-Ryabtsev-S-I-Bashev-V-F--Co-Cr-Fe-Ni-Mn-Al # implementation = 2025--Kushnerov-O-I--Co-Cr-Fe-Ni-Mn-Al--LAMMPS--ipr1 # composition = Al3Ni # 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 2025-07-01 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 2.706044469e+02 nan nan 0.98 2.485545911e+02 nan nan 1.00 2.286684222e+02 nan nan 1.02 2.102985476e+02 nan nan 1.04 1.937639089e+02 nan nan 1.06 1.783969143e+02 nan nan 1.08 1.641677546e+02 2.381383394e+02 nan 1.10 1.514798809e+02 2.209195015e+02 2.482426590e+02 1.12 1.393889362e+02 2.044859323e+02 2.299946551e+02 1.14 1.286903482e+02 1.891805967e+02 2.138258506e+02 1.16 1.185148278e+02 1.754068861e+02 1.982045919e+02 1.18 1.093124499e+02 1.625307833e+02 1.839600996e+02 1.20 1.005183578e+02 1.513512726e+02 1.709713534e+02 1.22 9.284056341e+01 1.402976417e+02 1.592947862e+02 1.24 8.533732862e+01 1.298941713e+02 1.479526235e+02 1.26 7.881134991e+01 1.205965929e+02 1.376186586e+02 1.28 7.241516074e+01 1.118972537e+02 1.279349140e+02 1.30 6.687465953e+01 1.038456813e+02 1.187548639e+02 1.32 6.143583745e+01 9.612478524e+01 1.105313550e+02 1.34 5.634547022e+01 8.947019209e+01 1.025393170e+02 1.36 5.191116782e+01 8.277891794e+01 9.528575269e+01 1.38 4.771424106e+01 7.661312959e+01 8.872633748e+01 1.40 4.365944641e+01 7.084687716e+01 8.226756230e+01 1.42 4.008421914e+01 6.549216151e+01 7.643477264e+01 1.44 3.684657265e+01 6.100636870e+01 7.083208088e+01 1.46 3.362342102e+01 5.669547781e+01 6.612063477e+01 1.48 3.062291522e+01 5.231771076e+01 6.121810486e+01 1.50 2.784849520e+01 4.824823639e+01 5.686571867e+01 1.52 2.552729846e+01 4.463873675e+01 5.259514213e+01 1.54 2.323238576e+01 4.144305671e+01 4.895754843e+01 1.56 2.100753538e+01 3.812191713e+01 4.521924618e+01 1.58 1.899499505e+01 3.509201115e+01 4.182506235e+01 1.60 1.708907170e+01 3.221246162e+01 3.857056407e+01 1.62 1.562965737e+01 2.953311900e+01 3.553685904e+01 1.64 1.397422497e+01 2.703977888e+01 3.304800618e+01 1.66 1.244467375e+01 2.488797712e+01 3.038079488e+01 1.68 1.103175457e+01 2.288169664e+01 2.789403975e+01 1.70 9.726937067e+00 2.084383026e+01 2.557532794e+01 1.72 8.732021585e+00 1.894765908e+01 2.341317886e+01 1.74 7.708868750e+00 1.735486229e+01 2.139696583e+01 1.76 6.709603408e+00 1.569946920e+01 2.002974397e+01 1.78 5.737491190e+00 1.415973346e+01 1.823447096e+01 1.80 4.841844305e+00 1.272779728e+01 1.656113301e+01 1.82 4.077676570e+00 1.162076971e+01 1.518313469e+01 1.84 3.314158979e+00 1.036535868e+01 1.371571378e+01 1.86 2.718460175e+00 9.537757166e+00 1.234861251e+01 1.88 2.174788983e+00 8.427656724e+00 1.107522069e+01 1.90 1.588444356e+00 7.396964818e+00 1.006956503e+01 1.92 1.029080910e+00 6.440378501e+00 8.951918023e+00 1.94 5.167551229e-01 5.640463653e+00 7.911800559e+00 1.96 4.809992433e-02 4.811182960e+00 6.944168935e+00 1.98 -3.800120703e-01 4.042665496e+00 6.044321242e+00 2.00 -7.704865596e-01 3.330887421e+00 5.385236267e+00 2.02 -1.126024096e+00 2.672097122e+00 4.595443711e+00 2.04 -1.449135294e+00 2.062795419e+00 3.862033637e+00 2.06 -1.590150428e+00 1.499717358e+00 3.181376548e+00 2.08 -1.830143993e+00 9.798154265e-01 2.550081631e+00 2.10 -2.044606878e+00 6.514839282e-01 2.141911768e+00 2.12 -2.245644437e+00 2.824795878e-01 1.675259303e+00 2.14 -2.453349744e+00 -1.396545441e-01 1.156494158e+00 2.16 -2.639409444e+00 -5.278664689e-01 6.767813928e-01 2.18 -2.805407362e+00 -8.843966625e-01 2.336153622e-01 2.20 -2.952818667e+00 -1.211340246e+00 -1.753494663e-01 2.22 -3.083017469e+00 -1.510656873e+00 -5.523093274e-01 2.24 -3.109747925e+00 -1.609108031e+00 -8.555532163e-01 2.26 -3.214880709e+00 -1.869765448e+00 -1.177347161e+00 2.28 -3.306028398e+00 -2.107237651e+00 -1.472747516e+00 2.30 -3.384248495e+00 -2.323072129e+00 -1.743457680e+00 2.32 -3.349680517e+00 -2.518717862e+00 -1.991074468e+00 2.34 -3.301219623e+00 -2.695531772e+00 -2.217095053e+00 2.36 -3.359225056e+00 -2.854784725e+00 -2.422923430e+00 2.38 -3.407050479e+00 -2.997667122e+00 -2.609876421e+00 2.40 -3.445488871e+00 -3.125294097e+00 -2.438890865e+00 2.42 -3.475279491e+00 -3.238710362e+00 -2.612459996e+00 2.44 -3.497111442e+00 -3.158389807e+00 -2.769381371e+00 2.46 -3.511626994e+00 -3.256996571e+00 -2.910749872e+00 2.48 -3.519424675e+00 -3.343514561e+00 -3.037593344e+00 2.50 -3.521062163e+00 -3.418785658e+00 -3.150876752e+00 2.52 -3.517058973e+00 -3.311836994e+00 -3.251506071e+00 2.54 -3.507898970e+00 -3.376902674e+00 -3.340331919e+00 2.56 -3.494032714e+00 -3.432369512e+00 -3.418152957e+00 2.58 -3.475879642e+00 -3.478919855e+00 -3.426259876e+00 2.60 -3.453830115e+00 -3.517193492e+00 -3.487586905e+00 2.62 -3.428247323e+00 -3.547790264e+00 -3.539841160e+00 2.64 -3.399469062e+00 -3.571272504e+00 -3.583653246e+00 2.66 -3.367809400e+00 -3.588167334e+00 -3.619615300e+00 2.68 -3.333560229e+00 -3.598968805e+00 -3.648283300e+00 2.70 -3.245311861e+00 -3.604139915e+00 -3.670179242e+00 2.72 -3.209380588e+00 -3.604114495e+00 -3.685793177e+00 2.74 -3.171476867e+00 -3.555123786e+00 -3.695585119e+00 2.76 -3.060695864e+00 -3.548222543e+00 -3.699986842e+00 2.78 -3.023465005e+00 -3.537147150e+00 -3.699403560e+00 2.80 -2.984666668e+00 -3.522237630e+00 -3.694215509e+00 2.82 -2.891228087e+00 -3.503812362e+00 -3.505483192e+00 2.84 -2.852510393e+00 -3.482169380e+00 -3.501408039e+00 2.86 -2.812625029e+00 -3.457587603e+00 -3.493257716e+00 2.88 -2.771729901e+00 -3.430327979e+00 -3.481350450e+00 2.90 -2.729971330e+00 -3.400634571e+00 -3.465984909e+00 2.92 -2.687484795e+00 -3.368735567e+00 -3.447441339e+00 2.94 -2.644395635e+00 -3.334844241e+00 -3.425982637e+00 2.96 -2.600819703e+00 -3.299159845e+00 -3.401855356e+00 2.98 -2.556863982e+00 -3.261868458e+00 -3.375290658e+00 3.00 -2.512627160e+00 -3.223143773e+00 -3.346505207e+00 3.02 -2.468200173e+00 -3.183147851e+00 -3.315702014e+00 3.04 -2.423666710e+00 -3.142031815e+00 -3.283071225e+00 3.06 -2.379103690e+00 -3.099936516e+00 -3.248790878e+00 3.08 -2.334581706e+00 -3.056993150e+00 -3.213027598e+00 3.10 -2.290165447e+00 -3.013323845e+00 -3.175937269e+00 3.12 -2.245914086e+00 -2.969042208e+00 -3.137665655e+00 3.14 -2.201881650e+00 -2.924253847e+00 -3.098348996e+00 3.16 -2.113539471e+00 -2.820296876e+00 -2.968958769e+00 3.18 -2.072125872e+00 -2.777508739e+00 -2.932000943e+00 3.20 -2.030973338e+00 -2.734361968e+00 -2.894170212e+00 3.22 -1.990122662e+00 -2.690940409e+00 -2.855578179e+00 3.24 -1.949610839e+00 -2.647321829e+00 -2.816329052e+00 3.26 -1.909471317e+00 -2.603578275e+00 -2.776520067e+00 3.28 -1.869734247e+00 -2.559776429e+00 -2.736241896e+00 3.30 -1.830426697e+00 -2.339492515e+00 -2.695579026e+00 3.32 -1.791572873e+00 -2.303602297e+00 -2.654610121e+00 3.34 -1.753194315e+00 -2.267478785e+00 -2.613408361e+00 3.36 -1.715310082e+00 -2.231185250e+00 -2.572041763e+00 3.38 -1.573545435e+00 -2.194780434e+00 -2.530573484e+00 3.40 -1.541075715e+00 -2.158318814e+00 -2.489062107e+00 3.42 -1.508963041e+00 -2.121850856e+00 -2.447561910e+00 3.44 -1.477225503e+00 -2.085423251e+00 -2.406123125e+00 3.46 -1.445879203e+00 -2.049079139e+00 -2.364792174e+00 3.48 -1.414938388e+00 -2.012858321e+00 -2.323611899e+00 3.50 -1.348212326e+00 -1.976797464e+00 -2.282621774e+00 3.52 -1.319714607e+00 -1.940930283e+00 -2.241858113e+00 3.54 -1.291585400e+00 -1.905287724e+00 -2.201354254e+00 3.56 -1.263835752e+00 -1.869898132e+00 -2.161140745e+00 3.58 -1.236475296e+00 -1.834787408e+00 -2.121245512e+00 3.60 -1.209512350e+00 -1.799979164e+00 -2.081694021e+00 3.62 -1.182954008e+00 -1.765494861e+00 -2.042509428e+00 3.64 -1.149620556e+00 -1.731353944e+00 -1.824193510e+00 3.66 -1.124217820e+00 -1.697573969e+00 -1.793038808e+00 3.68 -1.099219405e+00 -1.664170721e+00 -1.762018971e+00 3.70 -1.074629005e+00 -1.631158329e+00 -1.731160598e+00 3.72 -1.050449445e+00 -1.598549371e+00 -1.700488195e+00 3.74 -1.026682742e+00 -1.566354972e+00 -1.670024294e+00 3.76 -1.003330167e+00 -1.534584903e+00 -1.639789571e+00 3.78 -9.803923023e-01 -1.503247667e+00 -1.609802955e+00 3.80 -9.578690950e-01 -1.472350583e+00 -1.580081728e+00 3.82 -9.357599065e-01 -1.441899868e+00 -1.550641626e+00 3.84 -9.140635599e-01 -1.411900707e+00 -1.521496929e+00 3.86 -8.927783840e-01 -1.291448967e+00 -1.492660551e+00 3.88 -8.719022545e-01 -1.265771611e+00 -1.464144121e+00 3.90 -8.514326327e-01 -1.240429276e+00 -1.435958063e+00 3.92 -8.313666018e-01 -1.215428310e+00 -1.408111667e+00 3.94 -8.117009009e-01 -1.190774183e+00 -1.380613164e+00 3.96 -7.924319566e-01 -1.166471548e+00 -1.353469787e+00 3.98 -7.735559124e-01 -1.142524292e+00 -1.326687839e+00 4.00 -7.550686573e-01 -1.118935588e+00 -1.300272749e+00 4.02 -7.369658506e-01 -1.095707943e+00 -1.274229130e+00 4.04 -7.192429470e-01 -1.072843245e+00 -1.248560828e+00 4.06 -7.018952188e-01 -1.050342801e+00 -1.223270980e+00 4.08 -6.849177771e-01 -1.028207384e+00 -1.198362054e+00 4.10 -6.683055913e-01 -1.006437267e+00 -1.173835896e+00 4.12 -6.520535075e-01 -9.850322614e-01 -1.149693776e+00 4.14 -6.361562654e-01 -9.639917468e-01 -1.125936421e+00 4.16 -6.206085146e-01 -9.433147081e-01 -1.102564059e+00 4.18 -6.054048286e-01 -9.229997624e-01 -1.079576452e+00 4.20 -5.905397190e-01 -9.030451885e-01 -1.056972929e+00 4.22 -5.760076482e-01 -8.834489534e-01 -1.034752418e+00 4.24 -5.618030407e-01 -8.642087376e-01 -1.012913478e+00 4.26 -5.479202945e-01 -8.453219583e-01 -9.914543247e-01 4.28 -5.343537910e-01 -8.267857924e-01 -9.703728571e-01 4.30 -5.210979040e-01 -8.085971968e-01 -9.496666843e-01 4.32 -5.081470088e-01 -7.907529286e-01 -9.293331480e-01 4.34 -4.954954896e-01 -7.732495631e-01 -9.093693447e-01 4.36 -4.831377471e-01 -7.560835114e-01 -8.897721468e-01 4.38 -4.710682050e-01 -7.392510369e-01 -8.705382222e-01 4.40 -4.592813164e-01 -7.227482701e-01 -8.516640530e-01 4.42 -4.477715689e-01 -7.065712236e-01 -8.331459524e-01 4.44 -4.365334900e-01 -6.907158047e-01 -8.149800816e-01 4.46 -4.255616519e-01 -6.751778289e-01 -7.519224517e-01 4.48 -4.148506753e-01 -6.599530309e-01 -7.359210405e-01 4.50 -4.043952336e-01 -6.450370762e-01 -7.202120852e-01 4.52 -3.941900562e-01 -6.304255711e-01 -7.047927849e-01 4.54 -3.842299313e-01 -6.161140724e-01 -6.896602088e-01 4.56 -3.745097093e-01 -6.020980963e-01 -6.748113087e-01 4.58 -3.650243046e-01 -5.883731269e-01 -6.602429307e-01 4.60 -3.557686982e-01 -5.749346241e-01 -6.459518265e-01 4.62 -3.467379394e-01 -5.617780307e-01 -6.319346628e-01 4.64 -3.379271477e-01 -5.488987791e-01 -6.181880319e-01 4.66 -3.293315138e-01 -5.362922979e-01 -6.047084602e-01 4.68 -3.209463012e-01 -5.239540174e-01 -5.914924168e-01 4.70 -3.127668471e-01 -5.118793752e-01 -5.785363216e-01 4.72 -3.047885632e-01 -5.000638211e-01 -5.658365527e-01 4.74 -2.970069364e-01 -4.885028218e-01 -5.533894534e-01 4.76 -2.894175293e-01 -4.771918652e-01 -5.411913388e-01 4.78 -2.820159804e-01 -4.661264642e-01 -5.292385016e-01 4.80 -2.747980047e-01 -4.553021604e-01 -5.175272185e-01 4.82 -2.677593933e-01 -4.447145274e-01 -5.060537548e-01 4.84 -2.608960138e-01 -4.343591739e-01 -4.948143697e-01 4.86 -2.542038100e-01 -4.242317463e-01 -4.838053211e-01 4.88 -2.476788015e-01 -4.143279316e-01 -4.730228697e-01 4.90 -2.413170838e-01 -4.046434592e-01 -4.624632828e-01 4.92 -2.351148274e-01 -3.951741033e-01 -4.521228384e-01 4.94 -2.290682778e-01 -3.859156848e-01 -4.419978288e-01 4.96 -2.231737546e-01 -3.768640725e-01 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