# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2021--Deluigi-O-R-Pasianot-R-C-Valencia-F-J-et-al--Fe-Ni-Cr-Co-Cu # implementation = 2021--Deluigi-O-R--Fe-Ni-Cr-Co-Cu--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 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 -1.018405851e+02 nan 0.76 nan nan nan nan nan nan nan nan -1.138776794e+02 nan 0.78 nan nan nan nan nan nan nan nan -1.221929782e+02 nan 0.80 nan nan nan nan nan -1.061218537e+02 nan nan -1.273656426e+02 nan 0.82 nan nan nan nan nan -1.110406631e+02 nan nan -1.299044138e+02 nan 0.84 nan nan nan nan nan -1.127195800e+02 nan nan -1.304905819e+02 nan 0.86 nan nan nan nan nan -1.119867261e+02 nan nan -1.298501744e+02 nan 0.88 nan nan nan nan nan -1.093916683e+02 nan nan -1.282127483e+02 nan 0.90 nan -1.489749590e+02 nan -1.708039431e+02 -1.710206306e+02 -1.052906493e+02 nan nan -1.257692983e+02 -1.447712889e+02 0.92 nan -1.447300884e+02 nan -1.691641635e+02 -1.692794521e+02 -9.998456902e+01 -1.443813293e+02 nan -1.228040289e+02 -1.431081532e+02 0.94 nan -1.406199410e+02 nan -1.660494614e+02 -1.661172395e+02 -9.354985105e+01 -1.415894788e+02 nan -1.193823533e+02 -1.403221453e+02 0.96 nan -1.367861879e+02 nan -1.620598667e+02 -1.621389876e+02 -8.623720273e+01 -1.385213628e+02 nan -1.154582231e+02 -1.367861103e+02 0.98 nan -1.330948473e+02 nan -1.574850249e+02 -1.575116456e+02 -7.859851131e+01 -1.350534925e+02 nan -1.111149663e+02 -1.331798214e+02 1.00 nan -1.295010615e+02 nan -1.526773817e+02 -1.525255852e+02 -7.106011279e+01 -1.313664728e+02 nan -1.066419667e+02 -1.297891299e+02 1.02 -1.481727800e+02 -1.261188016e+02 -1.421199503e+02 -1.481926492e+02 -1.478425874e+02 -6.383059165e+01 -1.278046498e+02 -1.445545307e+02 -1.021649795e+02 -1.264821516e+02 1.04 -1.446533014e+02 -1.230102850e+02 -1.384782686e+02 -1.442208072e+02 -1.437968711e+02 -5.704591336e+01 -1.244804510e+02 -1.410591930e+02 -9.761731816e+01 -1.230720205e+02 1.06 -1.412861320e+02 -1.201050523e+02 -1.349894726e+02 -1.405958863e+02 -1.402195918e+02 -5.083493161e+01 -1.213457452e+02 -1.375214039e+02 -9.296062805e+01 -1.196176719e+02 1.08 -1.377878069e+02 -1.173183069e+02 -1.318655511e+02 -1.371740985e+02 -1.369409153e+02 -4.532731027e+01 -1.183624962e+02 -1.338580044e+02 -8.818102324e+01 -1.160218779e+02 1.10 -1.341279393e+02 -1.145693202e+02 -1.290155861e+02 -1.339248774e+02 -1.339104060e+02 -4.055146454e+01 -1.154005893e+02 -1.301722228e+02 -8.324266428e+01 -1.121889828e+02 1.12 -1.304488616e+02 -1.117982872e+02 -1.262086645e+02 -1.307993574e+02 -1.310180738e+02 -3.643700168e+01 -1.122530446e+02 -1.266699353e+02 -7.812470783e+01 -1.082559566e+02 1.14 -1.269467560e+02 -1.090449831e+02 -1.233714519e+02 -1.276596798e+02 -1.280491649e+02 -3.296838997e+01 -1.088311945e+02 -1.235016887e+02 -7.283021035e+01 -1.043651713e+02 1.16 -1.237578781e+02 -1.063864312e+02 -1.204942591e+02 -1.245011972e+02 -1.249573776e+02 -3.013608402e+01 -1.052522511e+02 -1.206915426e+02 -6.743901528e+01 -1.005052585e+02 1.18 -1.209498058e+02 -1.038289763e+02 -1.176874348e+02 -1.214803730e+02 -1.218768377e+02 -2.789640735e+01 -1.016632823e+02 -1.182313725e+02 -6.207718230e+01 -9.650451623e+01 1.20 -1.185451634e+02 -1.012296102e+02 -1.151421549e+02 -1.187397862e+02 -1.189628481e+02 -2.616432875e+01 -9.806721639e+01 -1.160888705e+02 -5.682682995e+01 -9.220794594e+01 1.22 -1.165044044e+02 -9.844273965e+01 -1.128948412e+02 -1.163310066e+02 -1.163312832e+02 -2.481302705e+01 -9.438707196e+01 -1.141224773e+02 -5.170836355e+01 -8.759885330e+01 1.24 -1.146296911e+02 -9.536924695e+01 -1.108137112e+02 -1.141776268e+02 -1.139850962e+02 -2.366703207e+01 -9.054140447e+01 -1.121380105e+02 -4.674998693e+01 -8.276316598e+01 1.26 -1.127112735e+02 -9.195681168e+01 -1.087412332e+02 -1.121405180e+02 -1.118135202e+02 -2.255955625e+01 -8.649144373e+01 -1.099941658e+02 -4.200647431e+01 -7.779883796e+01 1.28 -1.105971868e+02 -8.824557099e+01 -1.066155661e+02 -1.100683702e+02 -1.096649936e+02 -2.140641305e+01 -8.225047144e+01 -1.076456323e+02 -3.757199824e+01 -7.272578056e+01 1.30 -1.082714525e+02 -8.429304015e+01 -1.043787602e+02 -1.078633981e+02 -1.074378339e+02 -2.019818583e+01 -7.780206368e+01 -1.051137828e+02 -3.353304150e+01 -6.756690969e+01 1.32 -1.057913073e+02 -8.009453564e+01 -1.019577026e+02 -1.055141153e+02 -1.051220730e+02 -1.895314519e+01 -7.310944986e+01 -1.024392196e+02 -2.992238995e+01 -6.237666440e+01 1.34 -1.031791979e+02 -7.565167079e+01 -9.930054766e+01 -1.030447217e+02 -1.027504602e+02 -1.765787683e+01 -6.814304190e+01 -9.966077459e+01 -2.672122362e+01 -5.721767043e+01 1.36 -1.004656052e+02 -7.102946464e+01 -9.642309870e+01 -1.004799577e+02 -1.003256315e+02 -1.628155119e+01 -6.291644758e+01 -9.681597995e+01 -2.387270321e+01 -5.222238063e+01 1.38 -9.769810571e+01 -6.627486845e+01 -9.338978105e+01 -9.782402653e+01 -9.780192418e+01 -1.482300552e+01 -5.753875630e+01 -9.390292473e+01 -2.130542473e+01 -4.755020850e+01 1.40 -9.486416638e+01 -6.140193290e+01 -9.023596096e+01 -9.504895886e+01 -9.512191661e+01 -1.330618983e+01 -5.218231835e+01 -9.086993498e+01 -1.896741548e+01 -4.330946725e+01 1.42 -9.192506215e+01 -5.643891536e+01 -8.690341925e+01 -9.212269489e+01 -9.225099720e+01 -1.172289004e+01 -4.700214933e+01 -8.766249016e+01 -1.683629051e+01 -3.954926029e+01 1.44 -8.886736750e+01 -5.145784447e+01 -8.329653321e+01 -8.902739407e+01 -8.917989640e+01 -1.003491327e+01 -4.210707998e+01 -8.424463239e+01 -1.488065274e+01 -3.623745853e+01 1.46 -8.565302109e+01 -4.651451911e+01 -7.936809468e+01 -8.573365222e+01 -8.589672795e+01 -8.200871327e+00 -3.754696968e+01 -8.058525518e+01 -1.304098563e+01 -3.323215818e+01 1.48 -8.225918548e+01 -4.160945571e+01 -7.513025338e+01 -8.224062041e+01 -8.241056265e+01 -6.185898357e+00 -3.332380629e+01 -7.667483443e+01 -1.125862837e+01 -3.042646627e+01 1.50 -7.863522361e+01 -3.671359186e+01 -7.061587531e+01 -7.854554060e+01 -7.872178613e+01 -4.294596653e+00 -2.941903118e+01 -7.250597111e+01 -9.495685491e+00 -2.778674247e+01 1.52 -7.470727962e+01 -3.183778978e+01 -6.586928022e+01 -7.463493309e+01 -7.482208999e+01 -2.822271278e+00 -2.581869590e+01 -6.809210879e+01 -7.746917402e+00 -2.531652366e+01 1.54 -7.046315978e+01 -2.705138165e+01 -6.093059092e+01 -7.050695634e+01 -7.071128974e+01 -1.731747312e+00 -2.250551396e+01 -6.347907639e+01 -6.276655766e+00 -2.301159848e+01 1.56 -6.597313126e+01 -2.243261028e+01 -5.582798782e+01 -6.618191214e+01 -6.640509791e+01 -9.836347622e-01 -1.945058406e+01 -5.873614806e+01 -5.106950526e+00 -2.085521986e+01 1.58 -6.133407119e+01 -1.803142476e+01 -5.057232475e+01 -6.169178930e+01 -6.192640349e+01 -5.205781746e-01 -1.662149348e+01 -5.392628677e+01 -4.180746798e+00 -1.882141737e+01 1.60 -5.663243802e+01 -1.386018388e+01 -4.518559026e+01 -5.707500869e+01 -5.730282049e+01 -2.794299681e-01 -1.400041603e+01 -4.909787116e+01 -3.458149537e+00 -1.689384318e+01 1.62 -5.192076196e+01 -9.909558894e+00 -3.974110160e+01 -5.236777846e+01 -5.256710493e+01 -1.979787784e-01 -1.159318495e+01 -4.427837026e+01 -2.912666394e+00 -1.504678864e+01 1.64 -4.722420169e+01 -6.627145342e+00 -3.436567881e+01 -4.761272603e+01 -4.777009640e+01 -2.124533020e-01 -9.414253515e+00 -3.949572405e+01 -2.524676609e+00 -1.323551309e+01 1.66 -4.255934773e+01 -4.249508511e+00 -2.919638567e+01 -4.286303640e+01 -4.298219533e+01 -2.601796280e-01 -7.660498088e+00 -3.479241933e+01 -2.270380118e+00 -1.141629747e+01 1.68 -3.795213972e+01 -2.713379624e+00 -2.432130793e+01 -3.816361175e+01 -3.825731738e+01 -2.846082357e-01 -6.381324696e+00 -3.021640835e+01 -2.122102635e+00 -9.619708396e+00 1.70 -3.343447307e+01 -1.802993794e+00 -1.977433473e+01 -3.354433160e+01 -3.362033991e+01 -2.717626770e-01 -5.428352206e+00 -2.580416492e+01 -2.052675010e+00 -8.066317437e+00 1.72 -2.902955266e+01 -1.332032486e+00 -1.557660638e+01 -2.902878644e+01 -2.908642464e+01 -3.046274575e-01 -4.702026290e+00 -2.157292954e+01 -2.035681938e+00 -6.738252831e+00 1.74 -2.475158649e+01 -1.154138570e+00 -1.174164876e+01 -2.463912041e+01 -2.466748090e+01 -4.105396186e-01 -4.138791619e+00 -1.752873611e+01 -2.045464724e+00 -5.605208921e+00 1.76 -2.063219166e+01 -1.165601712e+00 -8.295115490e+00 -2.041413897e+01 -2.039272492e+01 -5.537556841e-01 -3.698068321e+00 -1.369509154e+01 -2.057958685e+00 -4.663313072e+00 1.78 -1.670539999e+01 -1.294015434e+00 -5.708762162e+00 -1.639312618e+01 -1.630025837e+01 -7.031768622e-01 -3.353267082e+00 -1.009755552e+01 -2.050369224e+00 -3.909776315e+00 1.80 -1.298646797e+01 -1.488122914e+00 -3.944026837e+00 -1.260395626e+01 -1.242866308e+01 -8.363616976e-01 -3.087346522e+00 -7.000959624e+00 -2.028544104e+00 -3.329194371e+00 1.82 -9.482697108e+00 -1.712168440e+00 -2.763708201e+00 -9.075100576e+00 -8.827820636e+00 -9.502837749e-01 -2.889467690e+00 -4.804549886e+00 -2.034706088e+00 -2.900263569e+00 1.84 -6.578720693e+00 -1.942937263e+00 -2.002890152e+00 -6.267147363e+00 -6.023171620e+00 -1.048259758e+00 -2.750495899e+00 -3.300968370e+00 -2.088183589e+00 -2.600229265e+00 1.86 -4.527244052e+00 -2.166227126e+00 -1.547465128e+00 -4.305215501e+00 -4.082261524e+00 -1.133102474e+00 -2.662941290e+00 -2.308446196e+00 -2.172245717e+00 -2.403477827e+00 1.88 -3.123167241e+00 -2.375940888e+00 -1.314105956e+00 -2.967511571e+00 -2.773550441e+00 -1.208369000e+00 -2.620047475e+00 -1.688101878e+00 -2.269573522e+00 -2.282285932e+00 1.90 -2.199387199e+00 -2.571365729e+00 -1.237335919e+00 -2.085736232e+00 -1.922630333e+00 -1.277905323e+00 -2.613019274e+00 -1.334703064e+00 -2.365877822e+00 -2.210009749e+00 1.92 -1.623161368e+00 -2.751361810e+00 -1.266243996e+00 -1.534298728e+00 -1.400685928e+00 -1.344841057e+00 -2.629526546e+00 -1.170270603e+00 -2.450044237e+00 -2.163785504e+00 1.94 -1.294467638e+00 -2.914816879e+00 -1.366000830e+00 -1.220856977e+00 -1.113574625e+00 -1.411337369e+00 -2.655710326e+00 -1.139095230e+00 -2.519089119e+00 -2.124518527e+00 1.96 -1.141701258e+00 -3.060752215e+00 -1.513476797e+00 -1.078918736e+00 -9.939197044e-01 -1.478095192e+00 -2.677821728e+00 -1.202124952e+00 -2.576136866e+00 -2.078908219e+00 1.98 -1.113412606e+00 -3.188114661e+00 -1.691870004e+00 -1.059741672e+00 -9.931261717e-01 -1.545445259e+00 -2.685117448e+00 -1.330015436e+00 -2.624984697e+00 -2.047350160e+00 2.00 -1.174576515e+00 -3.298876375e+00 -1.890271210e+00 -1.129567937e+00 -1.078236375e+00 -1.614370908e+00 -2.691758766e+00 -1.502218514e+00 -2.669644718e+00 -2.064511575e+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 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