# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2018--Farkas-D-Caro-A--Fe-Ni-Cr-Co-Cu # implementation = 2018--Farkas-D--Fe-Ni-Cr-Co-Cu--LAMMPS--ipr2 # 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 2022-05-24 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 -5.655551450e+02 nan 0.76 nan nan nan nan nan nan nan nan -5.213421250e+02 nan 0.78 nan nan nan nan nan nan nan nan -4.816656856e+02 nan 0.80 nan nan nan nan nan -3.844458653e+02 nan nan -4.457006873e+02 nan 0.82 nan nan nan nan nan -3.553513242e+02 nan nan -4.127580725e+02 nan 0.84 nan nan nan nan nan -3.281549769e+02 nan nan -3.825299304e+02 nan 0.86 nan nan nan nan nan -3.028556360e+02 nan nan -3.550010445e+02 nan 0.88 nan nan nan nan nan -2.792982059e+02 nan nan -3.298039768e+02 nan 0.90 nan -4.170943196e+02 nan -6.004048143e+02 -6.005702482e+02 -2.572746607e+02 nan nan -3.066376478e+02 -4.186501614e+02 0.92 nan -3.887896760e+02 nan -5.603772068e+02 -5.603580390e+02 -2.366097305e+02 -3.957925528e+02 nan -2.853612229e+02 -3.911835981e+02 0.94 nan -3.629251241e+02 nan -5.237602132e+02 -5.236524935e+02 -2.169609656e+02 -3.705509297e+02 nan -2.657021478e+02 -3.655283796e+02 0.96 nan -3.393822697e+02 nan -4.902129086e+02 -4.901176597e+02 -1.982082812e+02 -3.472153849e+02 nan -2.473312873e+02 -3.415764384e+02 0.98 nan -3.177869678e+02 nan -4.592555337e+02 -4.591436923e+02 -1.805726931e+02 -3.252981518e+02 nan -2.300789176e+02 -3.196062439e+02 1.00 nan -2.978673419e+02 nan -4.305786638e+02 -4.303503008e+02 -1.641823107e+02 -3.047204254e+02 nan -2.140057958e+02 -2.995549330e+02 1.02 -4.042079503e+02 -2.795348978e+02 -3.697949758e+02 -4.042278070e+02 -4.038777327e+02 -1.490059384e+02 -2.856253873e+02 -3.802639322e+02 -1.990487933e+02 -2.810190090e+02 1.04 -3.805303154e+02 -2.627059581e+02 -3.479739586e+02 -3.801664830e+02 -3.798112086e+02 -1.350436836e+02 -2.680116900e+02 -3.579165665e+02 -1.850251566e+02 -2.636874694e+02 1.06 -3.586424022e+02 -2.471758643e+02 -3.276087642e+02 -3.580591921e+02 -3.577899334e+02 -1.223120094e+02 -2.517388359e+02 -3.370643446e+02 -1.718003433e+02 -2.475235198e+02 1.08 -3.381136354e+02 -2.327276362e+02 -3.088026311e+02 -3.376144528e+02 -3.374957954e+02 -1.108718631e+02 -2.366915246e+02 -3.174676372e+02 -1.592755435e+02 -2.323342016e+02 1.10 -3.187665186e+02 -2.191821093e+02 -2.913949553e+02 -3.186637713e+02 -3.187496146e+02 -1.007024752e+02 -2.226646427e+02 -2.990736679e+02 -1.473350232e+02 -2.179281292e+02 1.12 -3.005962719e+02 -2.064098104e+02 -2.750853216e+02 -3.010203984e+02 -3.013127455e+02 -9.168436061e+01 -2.093765177e+02 -2.819365281e+02 -1.358868030e+02 -2.043465414e+02 1.14 -2.836519681e+02 -1.943965002e+02 -2.597308901e+02 -2.844085938e+02 -2.848417809e+02 -8.375289294e+01 -1.966720562e+02 -2.660759990e+02 -1.248745797e+02 -1.916360803e+02 1.16 -2.679235054e+02 -1.831780412e+02 -2.452524680e+02 -2.686865285e+02 -2.691624129e+02 -7.684943356e+01 -1.846110635e+02 -2.514107801e+02 -1.143266746e+02 -1.796904544e+02 1.18 -2.533734009e+02 -1.727229629e+02 -2.316909014e+02 -2.539103955e+02 -2.543132877e+02 -7.088121318e+01 -1.732836580e+02 -2.378781613e+02 -1.043181331e+02 -1.682671633e+02 1.20 -2.399855797e+02 -1.628555151e+02 -2.191678617e+02 -2.401812562e+02 -2.404053718e+02 -6.571410691e+01 -1.626358197e+02 -2.254111751e+02 -9.488006120e+01 -1.571716756e+02 1.22 -2.276880519e+02 -1.533978673e+02 -2.076502661e+02 -2.275146594e+02 -2.275149414e+02 -6.117219928e+01 -1.525336162e+02 -2.138337481e+02 -8.598185076e+01 -1.463501641e+02 1.24 -2.162505370e+02 -1.442186646e+02 -1.969403632e+02 -2.157984728e+02 -2.156059422e+02 -5.703446171e+01 -1.428412679e+02 -2.029171816e+02 -7.760178453e+01 -1.358514245e+02 1.26 -2.054308433e+02 -1.352333503e+02 -1.868415941e+02 -2.048600878e+02 -2.045330899e+02 -5.311548928e+01 -1.334753113e+02 -1.924856572e+02 -6.975705600e+01 -1.257362788e+02 1.28 -1.950445624e+02 -1.264498247e+02 -1.772654750e+02 -1.945157458e+02 -1.941123692e+02 -4.932486331e+01 -1.244065552e+02 -1.824593489e+02 -6.251204427e+01 -1.159875056e+02 1.30 -1.850432730e+02 -1.178933663e+02 -1.681274785e+02 -1.846352186e+02 -1.842096543e+02 -4.564699981e+01 -1.155761012e+02 -1.728251137e+02 -5.592356110e+01 -1.065908877e+02 1.32 -1.754517691e+02 -1.095270540e+02 -1.593279138e+02 -1.751745772e+02 -1.747825348e+02 -4.209400188e+01 -1.069056410e+02 -1.635890401e+02 -4.999472011e+01 -9.756373293e+01 1.34 -1.662600544e+02 -1.013206449e+02 -1.507883573e+02 -1.661255782e+02 -1.658313167e+02 -3.864628784e+01 -9.832780091e+01 -1.547554878e+02 -4.467760550e+01 -8.893153397e+01 1.36 -1.574661681e+02 -9.331183148e+01 -1.424980357e+02 -1.574805206e+02 -1.573261945e+02 -3.526686103e+01 -8.981934192e+01 -1.463296861e+02 -3.989255703e+01 -8.078961221e+01 1.38 -1.490852420e+02 -8.552321633e+01 -1.344947950e+02 -1.492111628e+02 -1.491890605e+02 -3.194839092e+01 -8.145359667e+01 -1.382805148e+02 -3.555694063e+01 -7.326024679e+01 1.40 -1.410723020e+02 -7.794455382e+01 -1.267874250e+02 -1.412570945e+02 -1.413300523e+02 -2.870866044e+01 -7.337913788e+01 -1.305273313e+02 -3.160957116e+01 -6.641462081e+01 1.42 -1.333562560e+02 -7.057980578e+01 -1.192914132e+02 -1.335538887e+02 -1.336821911e+02 -2.553328800e+01 -6.573460800e+01 -1.229866952e+02 -2.801885096e+01 -6.026485722e+01 1.44 -1.258963675e+02 -6.347670350e+01 -1.118885564e+02 -1.260563941e+02 -1.262088964e+02 -2.237791327e+01 -5.861257346e+01 -1.155970996e+02 -2.474417022e+01 -5.475195854e+01 1.46 -1.186353493e+02 -5.666678586e+01 -1.045116697e+02 -1.187159804e+02 -1.188790562e+02 -1.919498073e+01 -5.204662989e+01 -1.083072794e+02 -2.171679955e+01 -4.972332229e+01 1.48 -1.115318619e+02 -5.012852269e+01 -9.715298026e+01 -1.115132968e+02 -1.116832391e+02 -1.594346278e+01 -4.602250080e+01 -1.010880337e+02 -1.886886572e+01 -4.506280449e+01 1.50 -1.045167668e+02 -4.381429126e+01 -8.982543084e+01 -1.044270838e+02 -1.046033294e+02 -1.263519871e+01 -4.050536391e+01 -9.391228757e+01 -1.615326053e+01 -4.072751408e+01 1.52 -9.749770460e+01 -3.771669739e+01 -8.255341719e+01 -9.742535807e+01 -9.761251497e+01 -9.804659671e+00 -3.546500625e+01 -8.677380764e+01 -1.353331837e+01 -3.671173615e+01 1.54 -9.044398038e+01 -3.188681713e+01 -7.535714037e+01 -9.048777693e+01 -9.069211034e+01 -7.573885530e+00 -3.086789511e+01 -7.969874710e+01 -1.111413229e+01 -3.300200878e+01 1.56 -8.340735914e+01 -2.638463894e+01 -6.824485685e+01 -8.361614002e+01 -8.383932580e+01 -5.873306220e+00 -2.666958907e+01 -7.273670281e+01 -9.143018612e+00 -2.957233380e+01 1.58 -7.646621567e+01 -2.124185514e+01 -6.120749775e+01 -7.682393378e+01 -7.705854796e+01 -4.616233773e+00 -2.282306680e+01 -6.593096788e+01 -7.547101002e+00 -2.638748961e+01 1.60 -6.968850580e+01 -1.645256960e+01 -5.424712771e+01 -7.013107647e+01 -7.035888826e+01 -3.712441403e+00 -1.929595665e+01 -5.931193707e+01 -6.263045616e+00 -2.342187707e+01 1.62 -6.310825836e+01 -1.198541028e+01 -4.741714207e+01 -6.355527486e+01 -6.375460133e+01 -3.076404096e+00 -1.608073424e+01 -5.289312679e+01 -5.244608953e+00 -2.064053684e+01 1.64 -5.673273764e+01 -8.190370882e+00 -4.082484267e+01 -5.712126197e+01 -5.727863234e+01 -2.624187634e+00 -1.318285728e+01 -4.668931487e+01 -4.455489962e+00 -1.798978106e+01 1.66 -5.056592932e+01 -5.413586664e+00 -3.459130168e+01 -5.086961799e+01 -5.098877693e+01 -2.276911305e+00 -1.068933215e+01 -4.073158877e+01 -3.860334469e+00 -1.541958827e+01 1.68 -4.462389446e+01 -3.579392200e+00 -2.879043059e+01 -4.483536649e+01 -4.492907212e+01 -1.964963158e+00 -8.785860970e+00 -3.505741085e+01 -3.422897476e+00 -1.290780161e+01 1.70 -3.892867001e+01 -2.448768493e+00 -2.344195839e+01 -3.903852853e+01 -3.911453685e+01 -1.651943338e+00 -7.321514970e+00 -2.969277114e+01 -3.108671481e+00 -1.067661986e+01 1.72 -3.349360322e+01 -1.815280094e+00 -1.855286474e+01 -3.349283699e+01 -3.355047520e+01 -1.411595480e+00 -6.176214792e+00 -2.464442738e+01 -2.884998398e+00 -8.787113280e+00 1.74 -2.832304431e+01 -1.517389500e+00 -1.412262064e+01 -2.821057823e+01 -2.823893871e+01 -1.286810598e+00 -5.271037614e+00 -1.990793036e+01 -2.720890503e+00 -7.191664578e+00 1.76 -2.343875321e+01 -1.439867620e+00 -1.014820081e+01 -2.322070052e+01 -2.319928647e+01 -1.238494443e+00 -4.553321013e+00 -1.549630308e+01 -2.587708670e+00 -5.872360644e+00 1.78 -1.886490466e+01 -1.501154993e+00 -7.059582104e+00 -1.855263085e+01 -1.845976304e+01 -1.229378986e+00 -3.986627485e+00 -1.142462326e+01 -2.458512794e+00 -4.814205835e+00 1.80 -1.460689748e+01 -1.642438977e+00 -4.912639091e+00 -1.422438578e+01 -1.404909260e+01 -1.231763785e+00 -3.545557820e+00 -7.907254601e+00 -2.333735003e+00 -3.990861561e+00 1.82 -1.066217509e+01 -1.823980202e+00 -3.442511461e+00 -1.025004998e+01 -9.998479324e+00 -1.238504232e+00 -3.211922528e+00 -5.395222408e+00 -2.254666776e+00 -3.371303507e+00 1.84 -7.363078860e+00 -2.021102913e+00 -2.464022188e+00 -7.046875283e+00 -6.799259688e+00 -1.250577762e+00 -2.969999716e+00 -3.670314306e+00 -2.240939028e+00 -2.924294831e+00 1.86 -5.026695557e+00 -2.218393907e+00 -1.847854766e+00 -4.802370562e+00 -4.577083628e+00 -1.268485080e+00 -2.806357242e+00 -2.527150802e+00 -2.273686627e+00 -2.616824212e+00 1.88 -3.424207404e+00 -2.408673566e+00 -1.498857645e+00 -3.267554243e+00 -3.072273201e+00 -1.293451855e+00 -2.708827309e+00 -1.808716567e+00 -2.333020836e+00 -2.414721958e+00 1.90 -2.367128767e+00 -2.590227633e+00 -1.342087907e+00 -2.253088201e+00 -2.089332470e+00 -1.326975547e+00 -2.663745329e+00 -1.395492688e+00 -2.402388156e+00 -2.285747871e+00 1.92 -1.706200015e+00 -2.760959788e+00 -1.318863310e+00 -1.617200316e+00 -1.483320856e+00 -1.369820280e+00 -2.655177142e+00 -1.197837776e+00 -2.468625004e+00 -2.202157195e+00 1.94 -1.328369548e+00 -2.918820365e+00 -1.387743706e+00 -1.254718479e+00 -1.147352426e+00 -1.421765736e+00 -2.666377203e+00 -1.150085119e+00 -2.526846379e+00 -2.140517053e+00 1.96 -1.151354153e+00 -3.061910554e+00 -1.519728635e+00 -1.088563468e+00 -1.003547725e+00 -1.481117265e+00 -2.680909317e+00 -1.205274644e+00 -2.578384926e+00 -2.083542788e+00 1.98 -1.114522332e+00 -3.188249381e+00 -1.692594494e+00 -1.060850768e+00 -9.942340781e-01 -1.545797568e+00 -2.685477329e+00 -1.330379463e+00 -2.625246794e+00 -2.047887204e+00 2.00 -1.174576509e+00 -3.298876374e+00 -1.890271205e+00 -1.129567931e+00 -1.078236369e+00 -1.614370905e+00 -2.691758763e+00 -1.502218512e+00 -2.669644715e+00 -2.064511571e+00 2.02 -1.300654348e+00 -3.397034774e+00 -2.100888975e+00 -1.264672848e+00 -1.226515401e+00 -1.685797233e+00 -2.725129312e+00 -1.703749392e+00 -2.713602622e+00 -2.137398865e+00 2.04 -1.470950997e+00 -3.486640758e+00 -2.316138056e+00 -1.444502740e+00 -1.418196476e+00 -1.759503226e+00 -2.797845214e+00 -1.921835169e+00 -2.758359871e+00 -2.247298039e+00 2.06 -1.669921804e+00 -3.570847641e+00 -2.530271226e+00 -1.653076634e+00 -1.637840490e+00 -1.835258804e+00 -2.898329083e+00 -2.145461799e+00 -2.803643628e+00 -2.377690162e+00 2.08 -1.885358897e+00 -3.650295036e+00 -2.738525203e+00 -1.878002168e+00 -1.873433232e+00 -1.912499539e+00 -3.013255371e+00 -2.365315872e+00 -2.847979981e+00 -2.515721191e+00 2.10 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