# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2024--Huang-S-Xiong-Y-Ma-S-et-al--Ni-Al-Co-Ti # implementation = 2024--Huang-S--Ni-Al-Co-Ti--LAMMPS--ipr1 # composition = Ni # 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 A1--Cu--fcc A15--beta-W A2--W--bcc A3'--alpha-La--d A3--Mg--hcp A4--C--dc A5--beta-Sn A6--In--bct A7--alpha-As Ah--alpha-Po--sc 0.50 nan nan nan nan nan nan nan nan nan nan 0.52 nan nan nan nan nan nan nan nan nan nan 0.54 nan nan nan nan nan nan nan nan nan nan 0.56 nan nan nan nan nan nan nan nan nan nan 0.58 nan nan nan nan nan nan nan nan nan nan 0.60 nan nan nan nan nan nan nan nan nan nan 0.62 nan nan nan nan nan nan nan nan nan nan 0.64 nan nan nan nan nan nan nan nan nan nan 0.66 nan nan nan nan nan nan nan nan nan nan 0.68 nan nan nan nan nan nan nan nan nan nan 0.70 nan nan nan nan nan nan nan nan nan nan 0.72 nan nan nan nan nan nan nan nan nan nan 0.74 nan nan nan nan nan nan nan nan nan nan 0.76 nan nan nan nan nan nan nan nan nan nan 0.78 nan nan nan nan nan 6.685638676e+02 nan nan nan nan 0.80 nan nan nan nan nan 6.107800739e+02 nan nan nan nan 0.82 nan nan nan nan nan 5.586559471e+02 nan nan 6.122576104e+02 nan 0.84 nan nan nan nan nan 5.115621372e+02 nan nan 5.588311163e+02 nan 0.86 nan nan nan nan nan 4.689487579e+02 nan nan 5.091887457e+02 nan 0.88 nan nan nan nan nan 4.303340449e+02 nan nan 4.632840231e+02 nan 0.90 nan 7.995979154e+02 nan nan nan 3.952948263e+02 nan nan 4.211563290e+02 5.977911786e+02 0.92 nan 7.255877040e+02 nan nan nan 3.634584894e+02 6.104365994e+02 nan 3.827108455e+02 5.496200092e+02 0.94 nan 6.560588415e+02 nan nan nan 3.344961657e+02 5.575998653e+02 nan 3.477693839e+02 5.058122197e+02 0.96 nan 5.910747232e+02 nan nan nan 3.081169518e+02 5.097213087e+02 nan 3.161060366e+02 4.659247794e+02 0.98 nan 5.310933729e+02 7.615565422e+02 nan nan 2.840629825e+02 4.659774057e+02 nan 2.874717774e+02 4.295648435e+02 1.00 nan 4.762520273e+02 6.972488029e+02 nan 8.037267225e+02 2.621052146e+02 4.256000761e+02 7.429599203e+02 2.616110759e+02 3.963834622e+02 1.02 7.430994505e+02 4.264744024e+02 6.386386745e+02 7.431338039e+02 7.431681574e+02 2.420417908e+02 3.885116417e+02 6.832076491e+02 2.382742721e+02 3.660731161e+02 1.04 6.852947509e+02 3.812469577e+02 5.836989445e+02 6.853287033e+02 6.853626557e+02 2.228932525e+02 3.537771869e+02 6.254942707e+02 2.166231420e+02 3.371604937e+02 1.06 6.283402087e+02 3.400958249e+02 5.310547708e+02 6.283737623e+02 6.284073160e+02 2.040253607e+02 3.207473005e+02 5.698624870e+02 1.960789997e+02 3.086906696e+02 1.08 5.734149543e+02 3.028820707e+02 4.813649399e+02 5.734481117e+02 5.734812690e+02 1.858312191e+02 2.897608638e+02 5.171183469e+02 1.768380330e+02 2.812502305e+02 1.10 5.212873433e+02 2.693925043e+02 4.350051152e+02 5.213201067e+02 5.213528701e+02 1.685670051e+02 2.609957013e+02 4.677388268e+02 1.590002849e+02 2.552208118e+02 1.12 4.724148147e+02 2.393707573e+02 3.921423821e+02 4.724471865e+02 4.724795583e+02 1.523852552e+02 2.345125050e+02 4.219600138e+02 1.425957302e+02 2.308289708e+02 1.14 4.270280874e+02 2.125400314e+02 3.527965914e+02 4.270600700e+02 4.270920526e+02 1.373629318e+02 2.102903659e+02 3.798465150e+02 1.276057201e+02 2.081882344e+02 1.16 3.851954024e+02 1.886187764e+02 3.168864223e+02 3.852269981e+02 3.852585938e+02 1.235228359e+02 1.882533152e+02 3.413437914e+02 1.139789725e+02 1.873311729e+02 1.18 3.468711682e+02 1.673311856e+02 2.842636537e+02 3.469023794e+02 3.469335905e+02 1.108498236e+02 1.682899568e+02 3.063172919e+02 1.016433750e+02 1.682336832e+02 1.20 3.119325823e+02 1.484139342e+02 2.547384485e+02 3.119634113e+02 3.119942402e+02 9.930301245e+01 1.502678506e+02 2.745814627e+02 9.051461612e+01 1.508332638e+02 1.22 2.802069540e+02 1.316202224e+02 2.280977836e+02 2.802374030e+02 2.802678521e+02 8.882488947e+01 1.340439080e+02 2.459210099e+02 8.050241070e+01 1.350426455e+02 1.24 2.514918558e+02 1.167219095e+02 2.041186670e+02 2.515219272e+02 2.515519986e+02 7.934802833e+01 1.194717685e+02 2.201062559e+02 7.151490507e+01 1.207598410e+02 1.26 2.255698032e+02 1.035103231e+02 1.825774383e+02 2.255994992e+02 2.256291953e+02 7.079998259e+01 1.064069168e+02 1.969040275e+02 6.346172480e+01 1.078754623e+02 1.28 2.022187520e+02 9.179617120e+01 1.632561245e+02 2.022480750e+02 2.022773980e+02 6.310678486e+01 9.471011085e+01 1.760851792e+02 5.625600718e+01 9.627794986e+01 1.30 1.812194343e+02 8.140886611e+01 1.459466126e+02 1.812483865e+02 1.812773387e+02 5.619539212e+01 8.424956516e+01 1.574296078e+02 4.981568721e+01 8.585722408e+01 1.32 1.623603187e+02 7.219548686e+01 1.304532161e+02 1.623889024e+02 1.624174861e+02 4.999533926e+01 7.490222425e+01 1.407294127e+02 4.406423861e+01 7.650715174e+01 1.34 1.454408002e+02 6.401953512e+01 1.165940726e+02 1.454690176e+02 1.454972350e+02 4.443980230e+01 6.655438043e+01 1.257907011e+02 3.893102237e+01 6.812712859e+01 1.36 1.302730911e+02 5.675959948e+01 1.042017110e+02 1.303009444e+02 1.303287977e+02 3.946622875e+01 5.910183064e+01 1.124344230e+02 3.435135979e+01 6.062301474e+01 1.38 1.166831632e+02 5.030800027e+01 9.312303273e+01 1.167106547e+02 1.167381461e+02 3.501665180e+01 5.244971327e+01 1.004965198e+02 3.026641427e+01 5.390759718e+01 1.40 1.045110203e+02 4.456946756e+01 8.321889993e+01 1.045381521e+02 1.045652840e+02 3.103778103e+01 4.651213404e+01 8.982760452e+01 2.662294823e+01 4.790071831e+01 1.42 9.361050295e+01 3.945988263e+01 7.436346739e+01 9.363727733e+01 9.366405170e+01 2.748093741e+01 4.121165874e+01 8.029233335e+01 2.337300128e+01 4.252917217e+01 1.44 8.384877669e+01 3.490510155e+01 6.644335790e+01 8.387519581e+01 8.390161493e+01 2.430188277e+01 3.647873210e+01 7.176858590e+01 2.047352377e+01 3.772644175e+01 1.46 7.510562431e+01 3.083987076e+01 5.935675867e+01 7.513169035e+01 7.515775639e+01 2.146058387e+01 3.225106408e+01 6.414654182e+01 1.788599144e+01 3.343233435e+01 1.48 6.727262021e+01 2.720683688e+01 5.301248732e+01 6.729833533e+01 6.732405045e+01 1.892093723e+01 2.847301034e+01 5.732771235e+01 1.557601753e+01 2.959256338e+01 1.50 6.025224837e+01 2.395565008e+01 4.732906448e+01 6.027761472e+01 6.030298107e+01 1.665047514e+01 2.509496670e+01 5.122396989e+01 1.351297399e+01 2.615830632e+01 1.52 5.395700983e+01 2.104215692e+01 4.223381913e+01 5.398202956e+01 5.400704929e+01 1.462006817e+01 2.207279154e+01 4.575660580e+01 1.166963070e+01 2.308575756e+01 1.54 4.830854399e+01 1.842767721e+01 3.766203893e+01 4.833321922e+01 4.835789446e+01 1.280363223e+01 1.936726220e+01 4.085543301e+01 1.002181583e+01 2.033568834e+01 1.56 4.323678640e+01 1.607835841e+01 3.355617655e+01 4.326111926e+01 4.328545213e+01 1.117784794e+01 1.694357072e+01 3.645794512e+01 8.548100839e+00 1.787302485e+01 1.58 3.867917544e+01 1.396460125e+01 2.986511674e+01 3.870316805e+01 3.872716066e+01 9.721896123e+00 1.477086077e+01 3.250853796e+01 7.229511210e+00 1.566645101e+01 1.60 3.457991152e+01 1.206054938e+01 2.654350325e+01 3.460356597e+01 3.462722042e+01 8.417210921e+00 1.282180435e+01 2.895779476e+01 6.049261958e+00 1.368803739e+01 1.62 3.088927514e+01 1.034363701e+01 2.355112680e+01 3.091259352e+01 3.093591190e+01 7.247252499e+00 1.107221258e+01 2.576183534e+01 4.992518011e+00 1.191289977e+01 1.64 2.756300271e+01 8.794188163e+00 2.085237071e+01 2.758598711e+01 2.760897150e+01 6.197298984e+00 9.500627737e+00 2.288172604e+01 4.046176375e+00 1.031888652e+01 1.66 2.456171754e+01 7.395025287e+00 1.841571020e+01 2.458437001e+01 2.460702248e+01 5.254256813e+00 8.087965327e+00 2.028294686e+01 3.198629425e+00 8.886293629e+00 1.68 2.185041567e+01 6.131008333e+00 1.621326295e+01 2.187273828e+01 2.189506089e+01 4.406489361e+00 6.817256429e+00 1.793491284e+01 2.439522033e+00 7.597607217e+00 1.70 1.939800130e+01 4.988728673e+00 1.422038558e+01 1.941999609e+01 1.944199088e+01 3.643662091e+00 5.673421948e+00 1.581054437e+01 1.759605450e+00 6.437270873e+00 1.72 1.717686845e+01 3.956313667e+00 1.241531245e+01 1.719853747e+01 1.722020649e+01 2.956603134e+00 4.643069887e+00 1.388588244e+01 1.150622844e+00 5.391476151e+00 1.74 1.516252620e+01 3.023254737e+00 1.077883291e+01 1.518387147e+01 1.520521674e+01 2.337178359e+00 3.714313852e+00 1.213974477e+01 6.052064717e-01 4.447974840e+00 1.76 1.333326188e+01 2.180254138e+00 9.293975893e+00 1.335428541e+01 1.337530895e+01 1.778179132e+00 2.876610312e+00 1.055341858e+01 1.167850357e-01 3.595910296e+00 1.78 1.166983978e+01 1.419088371e+00 7.945655594e+00 1.169054360e+01 1.171124741e+01 1.273221903e+00 2.120613052e+00 9.110386524e+00 -3.204994491e-01 2.825666545e+00 1.80 1.015523201e+01 7.324857057e-01 6.720426816e+00 1.017561810e+01 1.019600418e+01 8.166584839e-01 1.438043140e+00 7.796082218e+00 -7.118662121e-01 2.128733435e+00 1.82 8.774377163e+00 1.139745444e-01 5.606311128e+00 8.794447509e+00 8.814517855e+00 4.034956379e-01 8.215724665e-01 6.597672007e+00 -1.061962746e+00 1.497585790e+00 1.84 7.513965121e+00 -4.423170892e-01 4.592642378e+00 7.533721705e+00 7.553478288e+00 2.932334843e-02 2.647197830e-01 5.503860584e+00 -1.374924831e+00 9.255755997e-01 1.86 6.362244705e+00 -9.417494706e-01 3.669928181e+00 6.381689493e+00 6.401134282e+00 -3.097492860e-01 -2.382422526e-01 4.504717634e+00 -1.654430366e+00 4.068356575e-01 1.88 5.308851502e+00 -1.389215704e+00 2.829725588e+00 5.327986453e+00 5.347121404e+00 -6.171514275e-01 -6.923702821e-01 3.591523084e+00 -1.903747739e+00 -6.380667713e-02 1.90 4.344654368e+00 -1.789181979e+00 2.064529826e+00 4.363481429e+00 4.382308490e+00 -8.959016549e-01 -1.102125117e+00 2.756629165e+00 -2.125779116e+00 -4.909063812e-01 1.92 3.461618042e+00 -2.145724370e+00 1.367674413e+00 3.480139151e+00 3.498660260e+00 -1.148653748e+00 -1.471454046e+00 1.993337267e+00 -2.323099353e+00 -8.784695942e-01 1.94 2.652680269e+00 -2.462562446e+00 7.332414983e-01 2.670897354e+00 2.689114439e+00 -1.377737635e+00 -1.803876344e+00 1.295787976e+00 -2.497990919e+00 -1.230015178e+00 1.96 1.911642106e+00 -2.743089983e+00 1.559815371e-01 1.929557085e+00 1.947472065e+00 -1.585195947e+00 -2.102533799e+00 6.588555996e-01 -2.652475224e+00 -1.548629674e+00 1.98 1.233069573e+00 -2.990403068e+00 -3.687589885e-01 1.250684355e+00 1.268299138e+00 -1.772816789e+00 -2.370230072e+00 7.797846414e-02 -2.788340803e+00 -1.837016576e+00 2.00 6.122056547e-01 -3.207325808e+00 -8.451024742e-01 6.295221388e-01 6.468386229e-01 -1.942163064e+00 -2.609466121e+00 -4.509874740e-01 -2.907168650e+00 -2.097540421e+00 2.02 4.488131784e-02 -3.396435140e+00 -1.276705326e+00 6.190139339e-02 7.892146895e-02 -2.094602124e+00 -2.822475514e+00 -9.318195306e-01 -3.010357537e+00 -2.332271361e+00 2.04 -4.726658898e-01 -3.560096227e+00 -1.666884300e+00 -4.559403428e-01 -4.392147959e-01 -2.231366224e+00 -3.011290165e+00 -1.367999580e+00 -3.099172212e+00 -2.543075934e+00 2.06 -9.439442342e-01 -3.700493348e+00 -2.018723127e+00 -9.275113453e-01 -9.110784565e-01 -2.353603315e+00 -3.177796000e+00 -1.762775018e+00 -3.174784120e+00 -2.731693333e+00 2.08 -1.372234831e+00 -3.819644268e+00 -2.335095218e+00 -1.356092739e+00 -1.339950647e+00 -2.462386041e+00 -3.323746511e+00 -2.119177311e+00 -3.238280590e+00 -2.899748975e+00 2.10 -1.760605622e+00 -3.919412222e+00 -2.618677327e+00 -1.744752476e+00 -1.728899330e+00 -2.558716394e+00 -3.450771621e+00 -2.440035610e+00 -3.290670568e+00 -3.048761548e+00 2.12 -2.111924488e+00 -4.001517043e+00 -2.871962337e+00 -2.096358445e+00 -2.080792402e+00 -2.643530072e+00 -3.560385961e+00 -2.727989527e+00 -3.332889962e+00 -3.180149614e+00 2.14 -2.428871602e+00 -4.067545546e+00 -3.097271258e+00 -2.413590829e+00 -2.398310056e+00 -2.717700588e+00 -3.653996615e+00 -2.985501154e+00 -3.365806635e+00 -3.295237825e+00 2.16 -2.713951074e+00 -4.118961175e+00 -3.296764478e+00 -2.698953747e+00 -2.683956421e+00 -2.782043144e+00 -3.732910373e+00 -3.214866345e+00 -3.390225080e+00 -3.395262786e+00 2.18 -2.969501858e+00 -4.157112992e+00 -3.472452283e+00 -2.954786164e+00 -2.940070469e+00 -2.837318259e+00 -3.798340484e+00 -3.418225297e+00 -3.406890766e+00 -3.481378541e+00 2.20 -3.197708056e+00 -4.183244025e+00 -3.626204734e+00 -3.183272188e+00 -3.168836320e+00 -2.884235189e+00 -3.851412992e+00 -3.597572506e+00 -3.416494208e+00 -3.554661755e+00 2.22 -3.400608582e+00 -4.198499052e+00 -3.759760917e+00 -3.386450745e+00 -3.372292907e+00 -2.923455150e+00 -3.893172651e+00 -3.754766108e+00 -3.419674766e+00 -3.616116572e+00 2.24 -3.580106250e+00 -4.203931818e+00 -3.874737592e+00 -3.566224656e+00 -3.552343062e+00 -2.955594330e+00 -3.924588442e+00 -3.891536641e+00 -3.417024182e+00 -3.666679182e+00 2.26 -3.737976329e+00 -4.200511768e+00 -3.972637309e+00 -3.724369200e+00 -3.710762071e+00 -2.981226739e+00 -3.946558743e+00 -4.009495271e+00 -3.409089890e+00 -3.707222120e+00 2.28 -3.875874577e+00 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