# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2023--Liang-A-Goodelman-D-C-Hodge-A-M-et-al--Fe-Ni-Cr-Co-Ti # implementation = 2023--Liang-A--Fe-Ni-Cr-Co-Ti--LAMMPS--ipr1 # composition = Cr # 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 2024-03-01 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 -5.655551361e+02 nan 0.76 nan nan nan nan nan nan nan nan -5.213421258e+02 nan 0.78 nan nan nan nan nan nan nan nan -4.816656807e+02 nan 0.80 nan nan nan nan nan -3.844458652e+02 nan nan -4.457006943e+02 nan 0.82 nan nan nan nan nan -3.553513366e+02 nan nan -4.127580760e+02 nan 0.84 nan nan nan nan nan -3.281549703e+02 nan nan -3.825299300e+02 nan 0.86 nan nan nan nan nan -3.028556332e+02 nan nan -3.550010412e+02 nan 0.88 nan nan nan nan nan -2.792982054e+02 nan nan -3.298039802e+02 nan 0.90 nan -4.170943152e+02 nan -6.004048291e+02 -6.005702639e+02 -2.572746700e+02 nan nan -3.066376558e+02 -4.186501664e+02 0.92 nan -3.887896653e+02 nan -5.603772186e+02 -5.603580510e+02 -2.366097360e+02 -3.957925572e+02 nan -2.853612315e+02 -3.911836032e+02 0.94 nan -3.629251217e+02 nan -5.237602331e+02 -5.236525113e+02 -2.169609740e+02 -3.705509377e+02 nan -2.657021543e+02 -3.655283906e+02 0.96 nan -3.393822531e+02 nan -4.902129218e+02 -4.901176745e+02 -1.982082880e+02 -3.472153919e+02 nan -2.473312926e+02 -3.415764457e+02 0.98 nan -3.177869680e+02 nan -4.592555150e+02 -4.591436728e+02 -1.805726843e+02 -3.252981460e+02 nan -2.300789091e+02 -3.196062345e+02 1.00 nan -2.978673504e+02 nan -4.305786742e+02 -4.303503115e+02 -1.641823083e+02 -3.047204271e+02 nan -2.140057984e+02 -2.995549352e+02 1.02 -4.042079581e+02 -2.795348914e+02 -3.697949770e+02 -4.042278111e+02 -4.038777355e+02 -1.490059432e+02 -2.856253905e+02 -3.802639224e+02 -1.990487992e+02 -2.810190144e+02 1.04 -3.805303009e+02 -2.627059653e+02 -3.479739383e+02 -3.801664687e+02 -3.798111951e+02 -1.350436771e+02 -2.680116795e+02 -3.579165490e+02 -1.850251550e+02 -2.636874603e+02 1.06 -3.586424000e+02 -2.471758739e+02 -3.276087545e+02 -3.580591856e+02 -3.577899250e+02 -1.223120039e+02 -2.517388349e+02 -3.370643313e+02 -1.718003377e+02 -2.475235212e+02 1.08 -3.381136266e+02 -2.327276239e+02 -3.088026234e+02 -3.376144393e+02 -3.374957810e+02 -1.108718580e+02 -2.366915195e+02 -3.174676304e+02 -1.592755398e+02 -2.323341979e+02 1.10 -3.187664990e+02 -2.191821063e+02 -2.913949442e+02 -3.186637487e+02 -3.187495914e+02 -1.007024723e+02 -2.226646316e+02 -2.990736550e+02 -1.473350167e+02 -2.179281229e+02 1.12 -3.005962657e+02 -2.064098063e+02 -2.750853150e+02 -3.010203930e+02 -3.013127402e+02 -9.168435824e+01 -2.093765125e+02 -2.819365107e+02 -1.358867993e+02 -2.043465346e+02 1.14 -2.836519511e+02 -1.943964938e+02 -2.597308825e+02 -2.844085805e+02 -2.848417683e+02 -8.375288958e+01 -1.966720515e+02 -2.660759932e+02 -1.248745745e+02 -1.916360723e+02 1.16 -2.679234686e+02 -1.831780364e+02 -2.452524427e+02 -2.686864937e+02 -2.691623782e+02 -7.684942083e+01 -1.846110537e+02 -2.514107713e+02 -1.143266650e+02 -1.796904336e+02 1.18 -2.533734012e+02 -1.727229615e+02 -2.316909021e+02 -2.539103961e+02 -2.543132878e+02 -7.088121365e+01 -1.732836587e+02 -2.378781512e+02 -1.043181352e+02 -1.682671647e+02 1.20 -2.399855685e+02 -1.628555143e+02 -2.191678613e+02 -2.401812486e+02 -2.404053648e+02 -6.571410590e+01 -1.626358158e+02 -2.254111699e+02 -9.488005978e+01 -1.571716707e+02 1.22 -2.276880613e+02 -1.533978662e+02 -2.076502727e+02 -2.275146686e+02 -2.275149511e+02 -6.117220171e+01 -1.525336220e+02 -2.138337512e+02 -8.598185365e+01 -1.463501692e+02 1.24 -2.162505387e+02 -1.442186669e+02 -1.969403615e+02 -2.157984721e+02 -2.156059411e+02 -5.703446142e+01 -1.428412670e+02 -2.029171807e+02 -7.760178683e+01 -1.358514245e+02 1.26 -2.054308476e+02 -1.352333506e+02 -1.868415920e+02 -2.048600890e+02 -2.045330910e+02 -5.311548829e+01 -1.334753102e+02 -1.924856578e+02 -6.975705537e+01 -1.257362784e+02 1.28 -1.950445628e+02 -1.264498254e+02 -1.772654756e+02 -1.945157472e+02 -1.941123710e+02 -4.932486356e+01 -1.244065550e+02 -1.824593475e+02 -6.251204573e+01 -1.159875044e+02 1.30 -1.850432774e+02 -1.178933647e+02 -1.681274767e+02 -1.846352216e+02 -1.842096571e+02 -4.564699851e+01 -1.155761032e+02 -1.728251159e+02 -5.592356101e+01 -1.065908908e+02 1.32 -1.754517670e+02 -1.095270540e+02 -1.593279149e+02 -1.751745743e+02 -1.747825321e+02 -4.209400133e+01 -1.069056410e+02 -1.635890392e+02 -4.999472029e+01 -9.756373210e+01 1.34 -1.662600549e+02 -1.013206423e+02 -1.507883547e+02 -1.661255793e+02 -1.658313184e+02 -3.864628625e+01 -9.832780112e+01 -1.547554850e+02 -4.467760575e+01 -8.893153285e+01 1.36 -1.574661659e+02 -9.331183254e+01 -1.424980359e+02 -1.574805192e+02 -1.573261932e+02 -3.526686284e+01 -8.981934341e+01 -1.463296869e+02 -3.989255614e+01 -8.078961062e+01 1.38 -1.490852379e+02 -8.552321671e+01 -1.344947907e+02 -1.492111589e+02 -1.491890560e+02 -3.194838858e+01 -8.145359633e+01 -1.382805153e+02 -3.555693921e+01 -7.326024570e+01 1.40 -1.410723074e+02 -7.794455229e+01 -1.267874291e+02 -1.412570986e+02 -1.413300563e+02 -2.870866254e+01 -7.337913791e+01 -1.305273328e+02 -3.160957202e+01 -6.641462404e+01 1.42 -1.333562595e+02 -7.057980599e+01 -1.192914142e+02 -1.335538905e+02 -1.336821924e+02 -2.553328878e+01 -6.573460782e+01 -1.229866987e+02 -2.801885218e+01 -6.026485758e+01 1.44 -1.258963650e+02 -6.347670197e+01 -1.118885556e+02 -1.260563928e+02 -1.262088954e+02 -2.237791396e+01 -5.861257290e+01 -1.155970981e+02 -2.474416769e+01 -5.475195737e+01 1.46 -1.186353478e+02 -5.666678633e+01 -1.045116697e+02 -1.187159797e+02 -1.188790560e+02 -1.919497991e+01 -5.204663033e+01 -1.083072800e+02 -2.171679973e+01 -4.972332057e+01 1.48 -1.115318609e+02 -5.012852339e+01 -9.715298089e+01 -1.115132951e+02 -1.116832370e+02 -1.594346261e+01 -4.602249958e+01 -1.010880373e+02 -1.886886659e+01 -4.506280532e+01 1.50 -1.045167703e+02 -4.381429200e+01 -8.982542915e+01 -1.044270859e+02 -1.046033308e+02 -1.263519750e+01 -4.050536445e+01 -9.391228577e+01 -1.615326138e+01 -4.072751577e+01 1.52 -9.749770603e+01 -3.771669751e+01 -8.255341734e+01 -9.742535879e+01 -9.761251553e+01 -9.804659340e+00 -3.546500651e+01 -8.677380830e+01 -1.353331964e+01 -3.671173856e+01 1.54 -9.044398450e+01 -3.188681419e+01 -7.535714156e+01 -9.048777961e+01 -9.069211298e+01 -7.573885860e+00 -3.086789483e+01 -7.969874495e+01 -1.111413279e+01 -3.300200815e+01 1.56 -8.340735820e+01 -2.638464046e+01 -6.824485734e+01 -8.361614009e+01 -8.383932591e+01 -5.873306395e+00 -2.666958989e+01 -7.273670159e+01 -9.143019095e+00 -2.957233298e+01 1.58 -7.646621263e+01 -2.124185463e+01 -6.120749561e+01 -7.682393005e+01 -7.705854426e+01 -4.616233448e+00 -2.282306534e+01 -6.593096848e+01 -7.547100678e+00 -2.638748832e+01 1.60 -6.968850336e+01 -1.645256719e+01 -5.424712912e+01 -7.013107523e+01 -7.035888771e+01 -3.712441422e+00 -1.929595600e+01 -5.931193855e+01 -6.263045009e+00 -2.342187542e+01 1.62 -6.310825641e+01 -1.198540976e+01 -4.741714331e+01 -6.355527268e+01 -6.375459925e+01 -3.076403641e+00 -1.608073624e+01 -5.289312464e+01 -5.244608047e+00 -2.064053478e+01 1.64 -5.673273677e+01 -8.190371121e+00 -4.082484559e+01 -5.712126195e+01 -5.727863234e+01 -2.624187649e+00 -1.318285700e+01 -4.668931440e+01 -4.455489567e+00 -1.798978124e+01 1.66 -5.056592792e+01 -5.413586596e+00 -3.459130343e+01 -5.086961739e+01 -5.098877625e+01 -2.276911371e+00 -1.068933230e+01 -4.073158953e+01 -3.860334625e+00 -1.541958674e+01 1.68 -4.462389380e+01 -3.579391249e+00 -2.879043145e+01 -4.483536548e+01 -4.492907059e+01 -1.964963375e+00 -8.785861562e+00 -3.505740966e+01 -3.422897877e+00 -1.290780173e+01 1.70 -3.892867054e+01 -2.448767818e+00 -2.344196008e+01 -3.903852954e+01 -3.911453829e+01 -1.651943450e+00 -7.321514749e+00 -2.969277047e+01 -3.108671615e+00 -1.067661879e+01 1.72 -3.349360442e+01 -1.815279724e+00 -1.855286630e+01 -3.349283908e+01 -3.355047721e+01 -1.411596088e+00 -6.176215791e+00 -2.464442759e+01 -2.884998658e+00 -8.787114191e+00 1.74 -2.832304513e+01 -1.517389209e+00 -1.412262011e+01 -2.821057846e+01 -2.823893924e+01 -1.286810671e+00 -5.271037673e+00 -1.990793146e+01 -2.720890424e+00 -7.191664377e+00 1.76 -2.343875281e+01 -1.439867425e+00 -1.014820024e+01 -2.322069968e+01 -2.319928521e+01 -1.238494060e+00 -4.553320733e+00 -1.549630208e+01 -2.587708587e+00 -5.872360366e+00 1.78 -1.886490508e+01 -1.501154884e+00 -7.059582674e+00 -1.855263119e+01 -1.845976347e+01 -1.229378602e+00 -3.986627140e+00 -1.142462261e+01 -2.458512768e+00 -4.814205808e+00 1.80 -1.460689638e+01 -1.642438649e+00 -4.912637430e+00 -1.422438467e+01 -1.404909104e+01 -1.231763119e+00 -3.545556921e+00 -7.907254356e+00 -2.333734782e+00 -3.990861082e+00 1.82 -1.066217713e+01 -1.823980292e+00 -3.442513484e+00 -1.025005206e+01 -9.998481635e+00 -1.238504995e+00 -3.211923668e+00 -5.395221966e+00 -2.254667311e+00 -3.371304581e+00 1.84 -7.363076432e+00 -2.021102523e+00 -2.464021044e+00 -7.046873212e+00 -6.799257939e+00 -1.250577133e+00 -2.969999095e+00 -3.670312962e+00 -2.240938649e+00 -2.924293794e+00 1.86 -5.026692034e+00 -2.218393497e+00 -1.847853210e+00 -4.802367406e+00 -4.577080933e+00 -1.268484117e+00 -2.806356350e+00 -2.527150261e+00 -2.273685822e+00 -2.616822719e+00 1.88 -3.424205771e+00 -2.408673539e+00 -1.498857159e+00 -3.267553113e+00 -3.072272368e+00 -1.293451452e+00 -2.708826943e+00 -1.808716093e+00 -2.333020638e+00 -2.414721333e+00 1.90 -2.367127998e+00 -2.590227414e+00 -1.342087574e+00 -2.253087625e+00 -2.089332068e+00 -1.326975386e+00 -2.663745181e+00 -1.395492349e+00 -2.402387993e+00 -2.285747806e+00 1.92 -1.706199941e+00 -2.760959683e+00 -1.318863607e+00 -1.617200136e+00 -1.483320688e+00 -1.369820473e+00 -2.655177489e+00 -1.197837768e+00 -2.468625237e+00 -2.202157236e+00 1.94 -1.328369891e+00 -2.918820307e+00 -1.387743752e+00 -1.254718791e+00 -1.147352609e+00 -1.421765766e+00 -2.666377155e+00 -1.150085380e+00 -2.526846503e+00 -2.140517330e+00 1.96 -1.151354139e+00 -3.061910305e+00 -1.519728335e+00 -1.088563412e+00 -1.003547642e+00 -1.481117213e+00 -2.680909413e+00 -1.205274469e+00 -2.578385027e+00 -2.083543073e+00 1.98 -1.114522025e+00 -3.188249322e+00 -1.692594481e+00 -1.060850486e+00 -9.942337797e-01 -1.545797584e+00 -2.685477389e+00 -1.330379373e+00 -2.625246813e+00 -2.047887217e+00 2.00 -1.174576363e+00 -3.298876289e+00 -1.890271327e+00 -1.129567965e+00 -1.078236448e+00 -1.614370961e+00 -2.691758845e+00 -1.502218567e+00 -2.669644715e+00 -2.064511478e+00 2.02 -1.300654268e+00 -3.397034647e+00 -2.100889169e+00 -1.264672820e+00 -1.226515385e+00 -1.685797274e+00 -2.725129367e+00 -1.703749291e+00 -2.713602647e+00 -2.137398751e+00 2.04 -1.470950684e+00 -3.486640767e+00 -2.316137956e+00 -1.444502491e+00 -1.418196247e+00 -1.759503200e+00 -2.797845258e+00 -1.921835302e+00 -2.758359937e+00 -2.247298081e+00 2.06 -1.669921854e+00 -3.570847629e+00 -2.530271137e+00 -1.653076708e+00 -1.637840582e+00 -1.835258783e+00 -2.898329149e+00 -2.145461682e+00 -2.803643598e+00 -2.377690174e+00 2.08 -1.885358997e+00 -3.650294944e+00 -2.738525058e+00 -1.878002235e+00 -1.873433277e+00 -1.912499574e+00 -3.013255412e+00 -2.365315854e+00 -2.847980048e+00 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