# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Cr-Ni # implementation = 2025--Sharifi-H--Cr-Ni--LAMMPS--ipr1 # composition = Cr3Ni # 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 2.522558842e+02 nan nan 0.92 2.358530016e+02 nan nan 0.94 2.205674874e+02 nan nan 0.96 2.062713151e+02 nan nan 0.98 1.928661279e+02 2.168080608e+02 nan 1.00 1.802750232e+02 2.033441633e+02 nan 1.02 1.684365114e+02 1.907128840e+02 2.230985778e+02 1.04 1.573028978e+02 1.788739399e+02 2.103803507e+02 1.06 1.471473796e+02 1.677672442e+02 1.983867918e+02 1.08 1.380377012e+02 1.575271477e+02 1.873369872e+02 1.10 1.297090085e+02 1.481141969e+02 1.772029264e+02 1.12 1.219402329e+02 1.393824155e+02 1.678041789e+02 1.14 1.145845468e+02 1.312225057e+02 1.590063219e+02 1.16 1.075489453e+02 1.235524325e+02 1.507092656e+02 1.18 1.007786391e+02 1.164551927e+02 1.430533842e+02 1.20 9.424517416e+01 1.099691012e+02 1.361095896e+02 1.22 8.793750038e+01 1.039326255e+02 1.296500175e+02 1.24 8.185535812e+01 9.823126470e+01 1.235150591e+02 1.26 7.600448665e+01 9.278700647e+01 1.175982047e+02 1.28 7.039324009e+01 8.754903621e+01 1.118325940e+02 1.30 6.503028574e+01 8.248641446e+01 1.061803795e+02 1.32 5.992311857e+01 7.758235146e+01 1.006243792e+02 1.34 5.507718525e+01 7.282978624e+01 9.516160629e+01 1.36 5.049545994e+01 6.822801577e+01 8.979831597e+01 1.38 4.617829906e+01 6.378016482e+01 8.454627085e+01 1.40 4.212351750e+01 5.949132663e+01 7.941998413e+01 1.42 3.832660993e+01 5.536722939e+01 7.443473058e+01 1.44 3.478104838e+01 5.141330843e+01 6.960515201e+01 1.46 3.147862555e+01 4.763411120e+01 6.494435926e+01 1.48 2.840980511e+01 4.403294097e+01 6.046338690e+01 1.50 2.556405794e+01 4.061167584e+01 5.617090856e+01 1.52 2.293017327e+01 3.737071805e+01 5.207314824e+01 1.54 2.049653608e+01 3.430903585e+01 4.817393246e+01 1.56 1.825135521e+01 3.142426749e+01 4.447483798e+01 1.58 1.618287712e+01 2.871286388e+01 4.097540016e+01 1.60 1.427956674e+01 2.617025321e+01 3.767335682e+01 1.62 1.253024038e+01 2.379101357e+01 3.456490694e+01 1.64 1.092416903e+01 2.156904758e+01 3.164497525e+01 1.66 9.451156853e+00 1.949775482e+01 2.890747680e+01 1.68 8.101580148e+00 1.757017154e+01 2.634552985e+01 1.70 6.866403986e+00 1.577910421e+01 2.395166326e+01 1.72 5.737193929e+00 1.411725101e+01 2.171800768e+01 1.74 4.706117383e+00 1.257730397e+01 1.963646279e+01 1.76 3.765934812e+00 1.115203341e+01 1.769884091e+01 1.78 2.909980249e+00 9.834359960e+00 1.589698789e+01 1.80 2.132093886e+00 8.617412481e+00 1.422288263e+01 1.82 1.426524740e+00 7.494574458e+00 1.266871750e+01 1.84 7.878949590e-01 6.459519382e+00 1.122696121e+01 1.86 2.111797070e-01 5.506236129e+00 9.890406332e+00 1.88 -3.083123202e-01 4.629045364e+00 8.652202957e+00 1.90 -7.749610133e-01 3.822601295e+00 7.505868633e+00 1.92 -1.192852217e+00 3.081895978e+00 6.445303428e+00 1.94 -1.565790257e+00 2.402267443e+00 5.464811934e+00 1.96 -1.897314414e+00 1.779393518e+00 4.559101607e+00 1.98 -2.190714901e+00 1.209281516e+00 3.723274444e+00 2.00 -2.449048076e+00 6.882420133e-01 2.952794664e+00 2.02 -2.675150902e+00 2.128412848e-01 2.243424332e+00 2.04 -2.871655149e+00 -2.201222059e-01 1.591194454e+00 2.06 -3.041009018e+00 -6.136383778e-01 9.923812042e-01 2.08 -3.185498604e+00 -9.705226635e-01 4.434857675e-01 2.10 -3.307244424e+00 -1.293434916e+00 -5.877931221e-02 2.12 -3.408210450e+00 -1.584854834e+00 -5.175026635e-01 2.14 -3.490343875e+00 -1.847091267e+00 -9.355858609e-01 2.16 -3.556012869e+00 -2.082294244e+00 -1.315754490e+00 2.18 -3.607451895e+00 -2.292463587e+00 -1.660564338e+00 2.20 -3.646585516e+00 -2.479451798e+00 -1.972398705e+00 2.22 -3.675072142e+00 -2.644983499e+00 -2.253494275e+00 2.24 -3.694339977e+00 -2.790667226e+00 -2.505954733e+00 2.26 -3.705617259e+00 -2.918003160e+00 -2.731758141e+00 2.28 -3.709958837e+00 -3.028390312e+00 -2.932763909e+00 2.30 -3.708269510e+00 -3.123133213e+00 -3.110719403e+00 2.32 -3.701324493e+00 -3.203448140e+00 -3.267266199e+00 2.34 -3.689787340e+00 -3.270468910e+00 -3.403946001e+00 2.36 -3.674225615e+00 -3.325252283e+00 -3.522206239e+00 2.38 -3.655124576e+00 -3.368788790e+00 -3.623413982e+00 2.40 -3.632899095e+00 -3.402194720e+00 -3.709138869e+00 2.42 -3.607904033e+00 -3.426707812e+00 -3.781144986e+00 2.44 -3.580443248e+00 -3.443430601e+00 -3.841008436e+00 2.46 -3.550777391e+00 -3.453330658e+00 -3.890116293e+00 2.48 -3.519130655e+00 -3.457256095e+00 -3.929688355e+00 2.50 -3.485696600e+00 -3.455949450e+00 -3.960796608e+00 2.52 -3.450645247e+00 -3.450065627e+00 -3.984390228e+00 2.54 -3.414128760e+00 -3.440186634e+00 -4.001316139e+00 2.56 -3.376280884e+00 -3.426820156e+00 -4.012317326e+00 2.58 -3.337219696e+00 -3.410407299e+00 -4.018043713e+00 2.60 -3.297050362e+00 -3.391330700e+00 -4.019063528e+00 2.62 -3.255867488e+00 -3.369921730e+00 -4.015873382e+00 2.64 -3.213757083e+00 -3.346466891e+00 -4.008907228e+00 2.66 -3.170798206e+00 -3.321213478e+00 -3.998544289e+00 2.68 -3.127064336e+00 -3.294374584e+00 -3.985116070e+00 2.70 -3.082624493e+00 -3.266133532e+00 -3.968912566e+00 2.72 -3.037544159e+00 -3.236647773e+00 -3.950187724e+00 2.74 -2.991886018e+00 -3.206052323e+00 -3.929164266e+00 2.76 -2.945710540e+00 -3.174462780e+00 -3.906037923e+00 2.78 -2.899076445e+00 -3.141977970e+00 -3.880981154e+00 2.80 -2.852041042e+00 -3.108682261e+00 -3.854146404e+00 2.82 -2.804660492e+00 -3.074647583e+00 -3.825668951e+00 2.84 -2.756989975e+00 -3.039935186e+00 -3.795669386e+00 2.86 -2.709083808e+00 -3.004597168e+00 -3.764255776e+00 2.88 -2.660995497e+00 -2.968677794e+00 -3.731525536e+00 2.90 -2.612777749e+00 -2.932214642e+00 -3.697567048e+00 2.92 -2.564482447e+00 -2.895239590e+00 -3.662461056e+00 2.94 -2.516160599e+00 -2.857779673e+00 -3.626281868e+00 2.96 -2.467862255e+00 -2.819857821e+00 -3.589098380e+00 2.98 -2.419636417e+00 -2.781493512e+00 -3.550974950e+00 3.00 -2.371530930e+00 -2.742703348e+00 -3.511972133e+00 3.02 -2.323592366e+00 -2.703501587e+00 -3.472147312e+00 3.04 -2.275865895e+00 -2.663900638e+00 -3.431555209e+00 3.06 -2.228395170e+00 -2.623911558e+00 -3.390248326e+00 3.08 -2.181222192e+00 -2.583544563e+00 -3.348277295e+00 3.10 -2.134387191e+00 -2.542809588e+00 -3.305691170e+00 3.12 -2.087928509e+00 -2.501716921e+00 -3.262537658e+00 3.14 -2.041882486e+00 -2.460277936e+00 -3.218863303e+00 3.16 -1.996283355e+00 -2.418505954e+00 -3.174713627e+00 3.18 -1.951163153e+00 -2.376417256e+00 -3.130133240e+00 3.20 -1.906551640e+00 -2.334032257e+00 -3.085165911e+00 3.22 -1.862476225e+00 -2.291376828e+00 -3.039854627e+00 3.24 -1.818961923e+00 -2.248483753e+00 -2.994241620e+00 3.26 -1.776031310e+00 -2.205394243e+00 -2.948368382e+00 3.28 -1.733704509e+00 -2.162159404e+00 -2.902275672e+00 3.30 -1.691999190e+00 -2.118841507e+00 -2.856003500e+00 3.32 -1.650930587e+00 -2.075514844e+00 -2.809591114e+00 3.34 -1.610511536e+00 -2.032265942e+00 -2.763076975e+00 3.36 -1.570752540e+00 -1.989192869e+00 -2.716498729e+00 3.38 -1.531661837e+00 -1.946403424e+00 -2.669893179e+00 3.40 -1.493245508e+00 -1.904012078e+00 -2.623296247e+00 3.42 -1.455507590e+00 -1.862135684e+00 -2.576742946e+00 3.44 -1.418450206e+00 -1.820888181e+00 -2.530267348e+00 3.46 -1.382073718e+00 -1.780374710e+00 -2.483902547e+00 3.48 -1.346376884e+00 -1.740685768e+00 -2.437679405e+00 3.50 -1.311357034e+00 -1.701892077e+00 -2.391600337e+00 3.52 -1.277010245e+00 -1.664040869e+00 -2.345634515e+00 3.54 -1.243331525e+00 -1.627154064e+00 -2.299938692e+00 3.56 -1.210314993e+00 -1.591228612e+00 -2.254603901e+00 3.58 -1.177954064e+00 -1.556238900e+00 -2.209555775e+00 3.60 -1.146241614e+00 -1.522140862e+00 -2.164819920e+00 3.62 -1.115170148e+00 -1.488877200e+00 -2.120420809e+00 3.64 -1.084731946e+00 -1.456383034e+00 -2.076381768e+00 3.66 -1.054919196e+00 -1.424591333e+00 -2.032724975e+00 3.68 -1.025724104e+00 -1.393437578e+00 -1.989471463e+00 3.70 -9.971389889e-01 -1.362863325e+00 -1.946641116e+00 3.72 -9.691563539e-01 -1.332818511e+00 -1.904252680e+00 3.74 -9.417689317e-01 -1.303262535e+00 -1.862323767e+00 3.76 -9.149697135e-01 -1.274164284e+00 -1.820870865e+00 3.78 -8.887519544e-01 -1.245501367e+00 -1.779909354e+00 3.80 -8.631091620e-01 -1.217258844e+00 -1.739453518e+00 3.82 -8.380350687e-01 -1.189427720e+00 -1.699516565e+00 3.84 -8.135235915e-01 -1.162003434e+00 -1.660110640e+00 3.86 -7.895687833e-01 -1.134984495e+00 -1.621246852e+00 3.88 -7.661647788e-01 -1.108371362e+00 -1.582935291e+00 3.90 -7.433057387e-01 -1.082165586e+00 -1.545185057e+00 3.92 -7.209857956e-01 -1.056369204e+00 -1.508004276e+00 3.94 -6.991990046e-01 -1.030984332e+00 -1.471400137e+00 3.96 -6.779393008e-01 -1.006012931e+00 -1.435378907e+00 3.98 -6.572004637e-01 -9.814566600e-01 -1.399945970e+00 4.00 -6.369760924e-01 -9.573168139e-01 -1.365105845e+00 4.02 -6.168965129e-01 -9.335942940e-01 -1.330862224e+00 4.04 -5.920853560e-01 -9.102896017e-01 -1.297217992e+00 4.06 -5.528000173e-01 -8.874028443e-01 -1.264175267e+00 4.08 -5.079598858e-01 -8.649337454e-01 -1.231735421e+00 4.10 -4.913590231e-01 -8.428816581e-01 -1.199899115e+00 4.12 -4.758961507e-01 -8.212455787e-01 -1.168666327e+00 4.14 -4.608381036e-01 -8.000241616e-01 -1.138036384e+00 4.16 -4.461787192e-01 -7.792157338e-01 -1.108007992e+00 4.18 -4.319116666e-01 -7.588183097e-01 -1.078579263e+00 4.20 -4.180304665e-01 -7.388296064e-01 -1.049747747e+00 4.22 -4.045285105e-01 -7.192470580e-01 -1.021510463e+00 4.24 -3.913990792e-01 -7.000678304e-01 -9.938639222e-01 4.26 -3.786353598e-01 -6.812232732e-01 -9.668041639e-01 4.28 -3.662304620e-01 -6.614087199e-01 -9.403267776e-01 4.30 -3.541774340e-01 -6.372358780e-01 -9.144269335e-01 4.32 -3.424692768e-01 -6.082346588e-01 -8.890994088e-01 4.34 -3.310989580e-01 -5.883405445e-01 -8.643386141e-01 4.36 -3.200594250e-01 -5.722684178e-01 -8.401386192e-01 4.38 -3.093436172e-01 -5.565495678e-01 -8.164931781e-01 4.40 -2.982954847e-01 -5.411801333e-01 -7.933957538e-01 4.42 -2.755310057e-01 -5.261561005e-01 -7.708395416e-01 4.44 -2.124525414e-01 -5.114733148e-01 -7.488174923e-01 4.46 -1.013690551e-01 -4.971274925e-01 -7.273223347e-01 4.48 -5.807751751e-02 -4.831142316e-01 -7.063465969e-01 4.50 -5.651729088e-02 -4.694290227e-01 -6.858826268e-01 4.52 -5.499477957e-02 -4.560672590e-01 -6.659226128e-01 4.54 -5.350922870e-02 -4.430242466e-01 -6.464586024e-01 4.56 -5.205989258e-02 -4.302952142e-01 -6.274825207e-01 4.58 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-3.586805359e-01 4.94 -2.894120051e-02 -2.293682868e-01 -3.310697461e-01 4.96 -2.243633496e-02 -1.776931044e-01 -2.563723602e-01 4.98 -1.002885296e-02 -7.974838644e-02 -1.150062918e-01 5.00 -5.531487380e-25 -6.124844503e-24 -6.313387105e-24 5.02 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.04 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.06 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.08 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.10 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.12 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.14 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.16 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.18 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.20 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.22 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.24 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.26 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.28 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.30 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