# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2024--Hayakawa-S-Xu-H--Fe-Ni-Al # implementation = 2024--Hayakawa-S--Fe-Ni-Al--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 2025-12-17 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 nan nan nan nan nan 0.80 nan nan nan nan nan nan nan nan nan nan 0.82 nan nan nan nan nan nan nan nan 9.419361152e+02 nan 0.84 nan nan nan nan nan nan nan nan 8.447130309e+02 nan 0.86 nan nan nan nan nan nan nan nan 7.587154330e+02 nan 0.88 nan nan nan nan nan 6.045216332e+02 nan nan 6.825648260e+02 nan 0.90 nan nan nan nan nan 5.447703916e+02 nan nan 6.150255140e+02 nan 0.92 nan nan nan nan nan 4.920729888e+02 nan nan 5.548415367e+02 nan 0.94 nan nan nan nan nan 4.455504011e+02 nan nan 5.011180950e+02 nan 0.96 nan nan nan nan nan 4.044683413e+02 nan nan 4.531573786e+02 nan 0.98 nan nan nan nan nan 3.681771070e+02 nan nan 4.103145439e+02 nan 1.00 nan nan nan 9.152062129e+02 9.151075724e+02 3.360966675e+02 nan nan 3.720549964e+02 5.667427788e+02 1.02 nan 5.004663930e+02 nan 8.370884347e+02 8.369995723e+02 3.077093977e+02 5.198467996e+02 nan 3.379036953e+02 5.157872631e+02 1.04 nan 4.566850474e+02 nan 7.670614106e+02 7.669930411e+02 2.825561651e+02 4.740490323e+02 nan 3.074321156e+02 4.701285968e+02 1.06 nan 4.168968721e+02 nan 7.042028260e+02 7.041651040e+02 2.602306043e+02 4.327261200e+02 nan 2.802535159e+02 4.292058284e+02 1.08 nan 3.806930446e+02 nan 6.476612264e+02 6.476756952e+02 2.403741152e+02 3.953941172e+02 nan 2.560187796e+02 3.924932228e+02 1.10 nan 3.477436652e+02 nan 5.967314476e+02 5.968118317e+02 2.226729085e+02 3.616695662e+02 nan 2.344068865e+02 3.595563504e+02 1.12 nan 3.177037077e+02 nan 5.503214043e+02 5.504482274e+02 2.056408806e+02 3.310416706e+02 nan 2.150104224e+02 3.297863258e+02 1.14 5.074093890e+02 2.902427134e+02 4.448167740e+02 5.075595625e+02 5.077039226e+02 1.880755586e+02 3.030986205e+02 4.631745696e+02 1.974948659e+02 3.026749982e+02 1.16 4.679964782e+02 2.651159740e+02 4.091421414e+02 4.681442578e+02 4.682837767e+02 1.709927902e+02 2.776233576e+02 4.265503956e+02 1.816188701e+02 2.779930970e+02 1.18 4.316779728e+02 2.421415976e+02 3.762570924e+02 4.318034425e+02 4.319215014e+02 1.550809127e+02 2.544151708e+02 3.928302340e+02 1.656649088e+02 2.555299542e+02 1.20 3.982021299e+02 2.211411493e+02 3.459619147e+02 3.982911438e+02 3.983763654e+02 1.405441343e+02 2.332883275e+02 3.617510925e+02 1.496863891e+02 2.350922315e+02 1.22 3.673285604e+02 2.019751176e+02 3.180697717e+02 3.673748160e+02 3.674216754e+02 1.272630817e+02 2.140717595e+02 3.330643575e+02 1.344755394e+02 2.164985017e+02 1.24 3.387589415e+02 1.845069725e+02 2.924067055e+02 3.387725817e+02 3.387905236e+02 1.151226617e+02 1.966079328e+02 3.065609815e+02 1.205343703e+02 1.995543706e+02 1.26 3.123175856e+02 1.686153222e+02 2.688104472e+02 3.123108595e+02 3.123108968e+02 1.040218817e+02 1.807506980e+02 2.820976124e+02 1.079251371e+02 1.841120940e+02 1.28 2.878674204e+02 1.540565756e+02 2.471285832e+02 2.878514778e+02 2.878431027e+02 9.387122402e+01 1.663624091e+02 2.595392340e+02 9.651537910e+01 1.699112693e+02 1.30 2.652795830e+02 1.393683391e+02 2.272050394e+02 2.652631711e+02 2.652533635e+02 8.457608238e+01 1.522146197e+02 2.387594119e+02 8.618250754e+01 1.554757525e+02 1.32 2.444335655e+02 1.247994332e+02 2.088766460e+02 2.444208034e+02 2.444121854e+02 7.603186474e+01 1.378910081e+02 2.196402718e+02 7.680405038e+01 1.410531832e+02 1.34 2.252162813e+02 1.109508107e+02 1.920393127e+02 2.252101652e+02 2.252046890e+02 6.819001066e+01 1.240503291e+02 2.020714936e+02 6.829445471e+01 1.272439038e+02 1.36 2.075208929e+02 9.822936710e+01 1.765973230e+02 2.075233547e+02 2.075223398e+02 6.100760064e+01 1.111486026e+02 1.859492250e+02 6.058012367e+01 1.144560893e+02 1.38 1.912473374e+02 8.675439361e+01 1.624591456e+02 1.912586214e+02 1.912625183e+02 5.444347902e+01 9.941420989e+01 1.711759614e+02 5.359501261e+01 1.028112112e+02 1.40 1.763024800e+02 7.642506996e+01 1.492706474e+02 1.763206462e+02 1.763289561e+02 4.845764046e+01 8.877592648e+01 1.576598410e+02 4.727934989e+01 9.221274828e+01 1.42 1.625988785e+02 6.714102351e+01 1.358481601e+02 1.626200497e+02 1.626314518e+02 4.301098380e+01 7.913380916e+01 1.445568068e+02 4.157194845e+01 8.256601022e+01 1.44 1.497948397e+02 5.880987375e+01 1.225787239e+02 1.498136318e+02 1.498255569e+02 3.806498429e+01 7.039703653e+01 1.312465891e+02 3.640859500e+01 7.378634812e+01 1.46 1.367595735e+02 5.134672202e+01 1.099189282e+02 1.367737928e+02 1.367847333e+02 3.358211004e+01 6.246367161e+01 1.182673426e+02 3.174882426e+01 6.579786702e+01 1.48 1.238489773e+02 4.467385258e+01 9.819155261e+01 1.238579877e+02 1.238671950e+02 2.952643788e+01 5.525890381e+01 1.060106108e+02 2.755489075e+01 5.853268663e+01 1.50 1.114810361e+02 3.872000366e+01 8.753085957e+01 1.114840674e+02 1.114905007e+02 2.586398444e+01 4.872434366e+01 9.473685804e+01 2.379052442e+01 5.191704251e+01 1.52 9.994593581e+01 3.341951036e+01 7.786476340e+01 9.994244634e+01 9.994491243e+01 2.256306720e+01 4.280594614e+01 8.447214198e+01 2.042083227e+01 4.587169579e+01 1.54 8.939711037e+01 2.871157649e+01 6.911119721e+01 8.938741982e+01 8.938500973e+01 1.959435086e+01 3.745375960e+01 7.513760104e+01 1.741226498e+01 4.035811543e+01 1.56 7.978053380e+01 2.453964190e+01 6.119379329e+01 7.976567448e+01 7.975802778e+01 1.693024772e+01 3.262193826e+01 6.666005794e+01 1.473300118e+01 3.534178123e+01 1.58 7.102462281e+01 2.085117837e+01 5.404192662e+01 7.100610313e+01 7.099345335e+01 1.454470238e+01 2.826839485e+01 5.897180973e+01 1.235350000e+01 3.078996351e+01 1.60 6.306295178e+01 1.759770120e+01 4.759027393e+01 6.304262675e+01 6.302583503e+01 1.241305952e+01 2.435436004e+01 5.201023197e+01 1.024683681e+01 2.667145695e+01 1.62 5.583409950e+01 1.473459458e+01 4.177848601e+01 5.581388027e+01 5.579436984e+01 1.051210569e+01 2.084390894e+01 4.571733080e+01 8.388252122e+00 2.295649576e+01 1.64 4.928108930e+01 1.222084245e+01 3.655099923e+01 4.926267986e+01 4.924229185e+01 8.820298035e+00 1.770353063e+01 4.003918025e+01 6.754400801e+00 1.961640319e+01 1.66 4.335082331e+01 1.001875593e+01 3.185671193e+01 4.333565342e+01 4.331642037e+01 7.317760801e+00 1.490189367e+01 3.492548331e+01 5.323311945e+00 1.662328125e+01 1.68 3.799386536e+01 8.093705088e+00 2.764860348e+01 3.798296177e+01 3.796679911e+01 5.986059477e+00 1.240963823e+01 3.032936767e+01 4.074428165e+00 1.395015456e+01 1.70 3.316421888e+01 6.413891389e+00 2.388331694e+01 3.315808104e+01 3.314652176e+01 4.808047398e+00 1.019323255e+01 2.620714172e+01 2.988650143e+00 1.157116111e+01 1.72 2.881890315e+01 4.949769522e+00 2.052070278e+01 2.881760424e+01 2.881171390e+01 3.767761179e+00 8.223039303e+00 2.251803213e+01 2.046476524e+00 9.461576953e+00 1.74 2.491749374e+01 3.664097813e+00 1.752333825e+01 2.492092244e+01 2.492130734e+01 2.850335448e+00 6.478052602e+00 1.922389487e+01 1.226084492e+00 7.597866061e+00 1.76 2.142195857e+01 2.533471683e+00 1.485632142e+01 2.143002318e+01 2.143686426e+01 2.042120484e+00 4.938917029e+00 1.628913334e+01 5.137546423e-01 5.958026286e+00 1.78 1.829683986e+01 1.542204877e+00 1.248738534e+01 1.830945158e+01 1.832250873e+01 1.331006970e+00 3.587964745e+00 1.368072691e+01 -1.027716844e-01 4.521725782e+00 1.80 1.550917177e+01 6.763028823e-01 1.038677276e+01 1.552612943e+01 1.554476251e+01 7.065136866e-01 2.408584906e+00 1.136809970e+01 -6.348899922e-01 3.269811809e+00 1.82 1.302833127e+01 -7.683811208e-02 8.527018428e+00 1.304917704e+01 1.307239643e+01 1.593204929e-01 1.384953584e+00 9.322966689e+00 -1.093080035e+00 2.184171467e+00 1.84 1.082588529e+01 -7.286842452e-01 6.874270017e+00 1.084988034e+01 1.087642881e+01 -3.191820852e-01 5.020075825e-01 7.519177999e+00 -1.486784347e+00 1.247659326e+00 1.86 8.875465106e+00 -1.289758244e+00 5.401295467e+00 8.901634428e+00 8.930086210e+00 -7.369828107e-01 -2.544616390e-01 5.932583242e+00 -1.824332894e+00 4.440943058e-01 1.88 7.152705566e+00 -1.769752473e+00 4.090486816e+00 7.179872493e+00 7.208716398e+00 -1.101245155e+00 -8.977547541e-01 4.540941270e+00 -2.112877406e+00 -2.415979021e-01 1.90 5.635155468e+00 -2.185818357e+00 2.926230277e+00 5.661980310e+00 5.689700471e+00 -1.418273815e+00 -1.440273647e+00 3.323823301e+00 -2.358477445e+00 -8.233155889e-01 1.92 4.302172946e+00 -2.549903415e+00 1.894985918e+00 4.327204434e+00 4.352365387e+00 -1.693561335e+00 -1.893555158e+00 2.262652153e+00 -2.566486384e+00 -1.313818537e+00 1.94 3.134822381e+00 -2.866932616e+00 9.849424801e-01 3.156585298e+00 3.177919934e+00 -1.931829547e+00 -2.268343676e+00 1.340758336e+00 -2.741743871e+00 -1.724808604e+00 1.96 2.115773399e+00 -3.141712193e+00 1.854918097e-01 2.132952081e+00 2.149451228e+00 -2.137064591e+00 -2.574619654e+00 5.430017129e-01 -2.888623004e+00 -2.066954011e+00 1.98 1.229196831e+00 -3.378761027e+00 -5.130217863e-01 1.240859633e+00 1.251852822e+00 -2.312552175e+00 -2.821619106e+00 -1.444889882e-01 -3.011002094e+00 -2.349905145e+00 2.00 4.606613018e-01 -3.582253596e+00 -1.119529609e+00 4.663418718e-01 4.715139925e-01 -2.461028994e+00 -3.020029464e+00 -7.343051063e-01 -3.112244016e+00 -2.582310046e+00 2.02 -2.029550962e-01 -3.755972001e+00 -1.642466554e+00 -2.033073528e-01 -2.039616000e-01 -2.584931314e+00 -3.179174590e+00 -1.237828580e+00 -3.195245982e+00 -2.771829037e+00 2.04 -7.735546424e-01 -3.903253255e+00 -2.089852328e+00 -7.796462647e-01 -7.858702089e-01 -2.686517250e+00 -3.305273048e+00 -1.665486594e+00 -3.262444745e+00 -2.925147673e+00 2.06 -1.261907453e+00 -4.026932896e+00 -2.469250196e+00 -1.273163805e+00 -1.284458749e+00 -2.767954826e+00 -3.403892691e+00 -2.036534776e+00 -3.315811900e+00 -3.047986799e+00 2.08 -1.677735397e+00 -4.129301918e+00 -2.787836164e+00 -1.693379260e+00 -1.709028881e+00 -2.831379916e+00 -3.479860690e+00 -2.362780710e+00 -3.356880645e+00 -3.145125144e+00 2.10 -2.029792774e+00 -4.212232668e+00 -3.052361522e+00 -2.048898217e+00 -2.068003766e+00 -2.878842744e+00 -3.537216994e+00 -2.648583577e+00 -3.386788312e+00 -3.220603443e+00 2.12 -2.337576432e+00 -4.278808870e+00 -3.276864604e+00 -2.359102892e+00 -2.380629351e+00 -2.916137613e+00 -3.583275205e+00 -2.901810133e+00 -3.409340808e+00 -3.283814566e+00 2.14 -2.616574870e+00 -4.331524335e+00 -3.472803302e+00 -2.639408072e+00 -2.662241274e+00 -2.947856207e+00 -3.623778334e+00 -3.128928229e+00 -3.427464203e+00 -3.342181953e+00 2.16 -2.868746647e+00 -4.371123703e+00 -3.642672786e+00 -2.891761817e+00 -2.914776986e+00 -2.974183782e+00 -3.659739010e+00 -3.331840448e+00 -3.440849098e+00 -3.396271054e+00 2.18 -3.095924926e+00 -4.398310728e+00 -3.788904041e+00 -3.118066681e+00 -3.140208435e+00 -2.995338751e+00 -3.691925034e+00 -3.512359436e+00 -3.449304587e+00 -3.446444430e+00 2.20 -3.299825221e+00 -4.413783503e+00 -3.913827497e+00 -3.320187726e+00 -3.340550231e+00 -3.011550240e+00 -3.720882786e+00 -3.672216761e+00 -3.452746605e+00 -3.492886300e+00 2.22 -3.482053004e+00 -4.418270307e+00 -4.019634155e+00 -3.499920743e+00 -3.517788483e+00 -3.023041460e+00 -3.746964064e+00 -3.813057654e+00 -3.451208129e+00 -3.535630299e+00 2.24 -3.644110784e+00 -4.412543814e+00 -4.108334766e+00 -3.658971689e+00 -3.673832594e+00 -3.030019976e+00 -3.770355999e+00 -3.936384631e+00 -3.444843522e+00 -3.574588439e+00 2.26 -3.787404671e+00 -4.397410239e+00 -4.181716231e+00 -3.798950393e+00 -3.810496116e+00 -3.032671952e+00 -3.791113537e+00 -4.043516406e+00 -3.433890622e+00 -3.609580757e+00 2.28 -3.913250420e+00 -4.373714600e+00 -4.241333630e+00 -3.921363452e+00 -3.929476483e+00 -3.031131719e+00 -3.809177531e+00 -4.135568341e+00 -3.418642464e+00 -3.640365295e+00 2.30 -4.022879117e+00 -4.342287479e+00 -4.288603986e+00 -4.027606243e+00 -4.032333369e+00 -3.025480844e+00 -3.824350909e+00 -4.213498588e+00 -3.399431670e+00 -3.666668217e+00 2.32 -4.117442449e+00 -4.303894267e+00 -4.324836277e+00 -4.118954302e+00 -4.120466155e+00 -3.015820233e+00 -3.836298790e+00 -4.278258885e+00 -3.376611548e+00 -3.688236325e+00 2.34 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