# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2024--Mendelev-M-I--Ni-Co-Cr # implementation = 2024--Mendelev-M-I--Ni-Co-Cr--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 2024-11-27 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 2.032445812e+04 nan 0.78 nan nan nan nan nan nan nan nan 1.839506568e+04 nan 0.80 nan nan nan nan nan nan nan nan 1.665810917e+04 nan 0.82 nan nan nan nan nan 1.249550723e+04 nan nan 1.509041593e+04 nan 0.84 nan nan nan nan nan 1.126563734e+04 nan nan 1.367154711e+04 nan 0.86 nan nan nan nan nan 1.015079747e+04 nan nan 1.238438281e+04 nan 0.88 nan nan nan nan nan 9.137990166e+03 nan nan 1.121422114e+04 nan 0.90 nan nan nan nan nan 8.215938808e+03 nan nan 1.014829838e+04 nan 0.92 nan nan nan 2.190484009e+04 2.190487366e+04 7.374806542e+03 nan nan 9.175483114e+03 1.396548692e+04 0.94 nan 1.274633870e+04 nan 2.019875479e+04 2.019876474e+04 6.605965143e+03 1.300939634e+04 nan 8.285990269e+03 1.276686998e+04 0.96 nan 1.164774675e+04 nan 1.863528702e+04 1.863528157e+04 5.901833833e+03 1.189549315e+04 nan 7.471210310e+03 1.166875342e+04 0.98 nan 1.063846117e+04 nan 1.719989599e+04 1.719990204e+04 5.255732224e+03 1.087259605e+04 nan 6.723561778e+03 1.066092142e+04 1.00 nan 9.709791251e+03 nan 1.587980715e+04 1.587985230e+04 4.661773465e+03 9.931766586e+03 nan 6.036342578e+03 9.734370623e+03 1.02 nan 8.853893049e+03 nan 1.466266009e+04 1.466273958e+04 4.114418935e+03 9.064731049e+03 nan 5.403355991e+03 8.880640005e+03 1.04 nan 8.063781944e+03 1.200976713e+04 1.353775858e+04 1.353785579e+04 3.608927887e+03 8.264231622e+03 1.246562771e+04 4.819186590e+03 8.092371384e+03 1.06 1.249656924e+04 7.333419328e+03 1.105463596e+04 1.249669886e+04 1.249679785e+04 3.141474492e+03 7.524168741e+03 1.148488352e+04 4.279315407e+03 7.363558998e+03 1.08 1.153190296e+04 6.657427308e+03 1.016985788e+04 1.153200586e+04 1.153209310e+04 2.708640912e+03 6.839093299e+03 1.057628210e+04 3.779716263e+03 6.688817568e+03 1.10 1.063695331e+04 6.031000360e+03 9.349231839e+03 1.063700911e+04 1.063707717e+04 2.307364135e+03 6.204118849e+03 9.733465405e+03 3.316791012e+03 6.063316223e+03 1.12 9.805634095e+03 5.449818931e+03 8.587208071e+03 9.805656354e+03 9.805713854e+03 1.934896823e+03 5.614855878e+03 8.950701768e+03 2.887313879e+03 5.482704579e+03 1.14 9.032502794e+03 4.909991447e+03 7.878814552e+03 9.032526133e+03 9.032586768e+03 1.588774805e+03 5.067359698e+03 8.222899782e+03 2.488378282e+03 4.943090540e+03 1.16 8.312718438e+03 4.408006782e+03 7.219576693e+03 8.312771571e+03 8.312842499e+03 1.266779759e+03 4.558078064e+03 7.545486660e+03 2.117364742e+03 4.441003165e+03 1.18 7.641926044e+03 3.940688229e+03 6.605425534e+03 7.642014507e+03 7.642091983e+03 9.668911019e+02 4.083799223e+03 6.914331656e+03 1.771910467e+03 3.973337476e+03 1.20 7.016180195e+03 3.505157966e+03 6.032656479e+03 7.016285723e+03 7.016357814e+03 7.069823007e+02 3.641627994e+03 6.325688612e+03 1.449875521e+03 3.537286691e+03 1.22 6.431891580e+03 3.098812133e+03 5.497945847e+03 6.431984132e+03 6.432039564e+03 5.192376411e+02 3.228960949e+03 5.776151073e+03 1.149346084e+03 3.130292357e+03 1.24 5.885785207e+03 2.719293770e+03 4.998281838e+03 5.885839255e+03 5.885871099e+03 3.842548489e+02 2.843443601e+03 5.262614460e+03 8.685929778e+02 2.750018924e+03 1.26 5.374877477e+03 2.364465568e+03 4.530927280e+03 5.374882640e+03 5.374889024e+03 2.867617107e+02 2.482934125e+03 4.782254662e+03 6.357015619e+02 2.394342182e+03 1.28 4.896456459e+03 2.032384312e+03 4.093387562e+03 4.896417484e+03 4.896400031e+03 2.159807596e+02 2.145476205e+03 4.332503720e+03 4.671103320e+02 2.061343612e+03 1.30 4.448048128e+03 1.721285782e+03 3.683379165e+03 4.447981091e+03 4.447945430e+03 1.642883117e+02 1.829286829e+03 3.911015444e+03 3.447278185e+02 1.749285799e+03 1.32 4.027392091e+03 1.429568171e+03 3.298810569e+03 4.027318158e+03 4.027273641e+03 1.262797189e+02 1.532727344e+03 3.515650350e+03 2.556227142e+02 1.456585420e+03 1.34 3.632422805e+03 1.155772434e+03 2.937772358e+03 3.632361901e+03 3.632319480e+03 9.811676421e+01 1.254307067e+03 3.144454887e+03 1.905362009e+02 1.181794255e+03 1.36 3.261244537e+03 8.985659803e+02 2.598524521e+03 3.261211132e+03 3.261181350e+03 7.706820492e+01 9.926817089e+02 2.795641618e+03 1.428233560e+02 9.235731191e+02 1.38 2.912115990e+03 6.715128160e+02 2.279478730e+03 2.912117992e+03 2.912109759e+03 6.118457829e+01 7.511532982e+02 2.467576453e+03 1.077049221e+02 6.941107645e+02 1.40 2.583456429e+03 5.014711430e+02 1.979180276e+03 2.583495265e+03 2.583514587e+03 4.906981608e+01 5.633111566e+02 2.158775056e+03 8.173531541e+01 5.214580501e+02 1.42 2.273820722e+03 3.750311084e+02 1.696294829e+03 2.273892441e+03 2.273940596e+03 3.971929411e+01 4.232894617e+02 1.867878134e+03 6.242652603e+01 3.927164201e+02 1.44 1.981885687e+03 2.808798874e+02 1.429595865e+03 1.981981238e+03 1.982053270e+03 3.240839193e+01 3.187303155e+02 1.593638330e+03 4.797982472e+01 2.965288180e+02 1.46 1.706435587e+03 2.106730151e+02 1.177956104e+03 1.706540864e+03 1.706626082e+03 2.661405041e+01 2.405116788e+02 1.334906542e+03 3.709330813e+01 2.245173998e+02 1.48 1.446350065e+03 1.582421310e+02 9.403424650e+02 1.446448497e+03 1.446533588e+03 2.195934487e+01 1.818898549e+02 1.090621006e+03 2.882414054e+01 1.704883442e+02 1.50 1.200592847e+03 1.190221927e+02 7.223269018e+02 1.200670084e+03 1.200743091e+03 1.817263358e+01 1.378703359e+02 8.597989571e+02 2.248895396e+01 1.298527981e+02 1.52 9.682050721e+02 8.963379073e+01 5.521507253e+02 9.682513070e+02 9.683037648e+02 1.505550551e+01 1.047466779e+02 6.584913247e+02 1.759059416e+01 9.920655489e+01 1.54 7.516982561e+02 6.757154130e+01 4.225241526e+02 7.517096828e+02 7.517368962e+02 1.246193980e+01 7.975850132e+01 5.046544301e+02 1.376544424e+01 7.602117177e+01 1.56 5.787476859e+02 5.097241098e+01 3.236700413e+02 5.787303858e+02 5.787344538e+02 1.028421204e+01 6.085013270e+01 3.871540346e+02 1.074517190e+01 5.841661882e+01 1.58 4.460404473e+02 3.844219111e+01 2.482005950e+02 4.460040569e+02 4.459911661e+02 8.442351906e+00 4.649461947e+01 2.972981683e+02 8.330414084e+00 4.499420457e+01 1.60 3.440899637e+02 2.895057378e+01 1.905228533e+02 3.440453605e+02 3.440220502e+02 6.876028490e+00 3.555390811e+01 2.284983559e+02 6.378846009e+00 3.471320065e+01 1.62 2.656726180e+02 2.173351829e+01 1.463948542e+02 2.656298444e+02 2.656020905e+02 5.538480381e+00 2.717909291e+01 1.757562990e+02 4.785595288e+00 2.679825380e+01 1.64 2.052854220e+02 1.622306649e+01 1.125942263e+02 2.052514977e+02 2.052239171e+02 4.392302229e+00 2.073612019e+01 1.352754020e+02 3.472416889e+00 2.067071202e+01 1.66 1.587307217e+02 1.199569120e+01 8.666599779e+01 1.587083874e+02 1.586840111e+02 3.406031090e+00 1.575134731e+01 1.041665508e+02 2.380596619e+00 1.589861997e+01 1.68 1.227993880e+02 8.734733204e+00 6.673436873e+01 1.227880939e+02 1.227686970e+02 2.552485163e+00 1.187102689e+01 8.022820141e+01 1.465838540e+00 1.215840566e+01 1.70 9.503331318e+01 6.203984039e+00 5.137842046e+01 9.503140784e+01 9.501793511e+01 1.809177001e+00 8.830950873e+00 6.178077721e+01 6.940911738e-01 9.206944795e+00 1.72 7.354875273e+01 4.221425998e+00 3.951893126e+01 7.355435257e+01 7.354718623e+01 1.158790159e+00 6.434072606e+00 4.754257052e+01 3.920805707e-02 6.861742308e+00 1.74 5.690127359e+01 2.651138540e+00 3.033698827e+01 5.691257325e+01 5.691184357e+01 5.892587798e-01 4.533460282e+00 3.653473134e+01 -5.181437309e-01 4.985542177e+00 1.76 4.398210437e+01 1.396868424e+00 2.320933918e+01 4.399778221e+01 4.400354619e+01 9.152164224e-02 3.018253740e+00 2.800926278e+01 -9.925324336e-01 3.474764430e+00 1.78 3.393987763e+01 3.873565295e-01 1.765957168e+01 3.395876779e+01 3.397075113e+01 -3.425494863e-01 1.803913217e+00 2.139395265e+01 -1.395998151e+00 2.251260891e+00 1.80 2.612080744e+01 -4.310094528e-01 1.332339547e+01 2.614134109e+01 2.615862906e+01 -7.202129230e-01 8.255439347e-01 1.625010047e+01 -1.738916201e+00 1.255976208e+00 1.82 2.002221048e+01 -1.099467049e+00 9.922786235e+00 2.004238428e+01 2.006339967e+01 -1.047563055e+00 3.086746337e-02 1.224089432e+01 -2.030159429e+00 4.437016798e-01 1.84 1.525652538e+01 -1.649953296e+00 7.245449533e+00 1.527444673e+01 1.529717953e+01 -1.329847686e+00 -6.189288335e-01 9.107436905e+00 -2.277385848e+00 -2.210062167e-01 1.86 1.152424469e+01 -2.106989680e+00 5.128873023e+00 1.153872127e+01 1.156110028e+01 -1.571960908e+00 -1.153469377e+00 6.646083339e+00 -2.487227033e+00 -7.660108503e-01 1.88 8.593826878e+00 -2.489203393e+00 3.448398597e+00 8.604526767e+00 8.624782098e+00 -1.778539717e+00 -1.595918476e+00 4.695904514e+00 -2.665204171e+00 -1.213346527e+00 1.90 6.286287841e+00 -2.810543617e+00 2.108165271e+00 6.293516292e+00 6.310406138e+00 -1.953818625e+00 -1.964485186e+00 3.140723407e+00 -2.815499643e+00 -1.580862137e+00 1.92 4.453318231e+00 -3.082496289e+00 1.027853260e+00 4.457995621e+00 4.470892423e+00 -2.104873309e+00 -2.276308946e+00 1.888761273e+00 -2.943886151e+00 -1.888496427e+00 1.94 2.978388944e+00 -3.313765590e+00 1.443153923e-01 2.981766510e+00 2.990543311e+00 -2.238850777e+00 -2.544574954e+00 8.693810544e-01 -3.055617527e+00 -2.153685270e+00 1.96 1.780336959e+00 -3.510008567e+00 -5.855965108e-01 1.783266397e+00 1.787968120e+00 -2.360795493e+00 -2.776719247e+00 3.155451811e-02 -3.152810681e+00 -2.386073482e+00 1.98 7.981294601e-01 -3.675905765e+00 -1.194400312e+00 8.006579438e-01 8.013601815e-01 -2.468729555e+00 -2.978605949e+00 -6.632449669e-01 -3.236939188e+00 -2.592375390e+00 2.00 -1.380487540e-02 -3.815420934e+00 -1.706497312e+00 -1.239298141e-02 -1.556365440e-02 -2.554100556e+00 -3.154588410e+00 -1.243954062e+00 -3.309045280e+00 -2.776593173e+00 2.02 -6.900895008e-01 -3.932010082e+00 -2.140517026e+00 -6.907787282e-01 -6.975253929e-01 -2.621837870e+00 -3.307836908e+00 -1.732756379e+00 -3.370723031e+00 -2.941384419e+00 2.04 -1.257668540e+00 -4.028697628e+00 -2.510751524e+00 -1.261170734e+00 -1.270937788e+00 -2.683132090e+00 -3.440713688e+00 -2.147007589e+00 -3.424768134e+00 -3.089136450e+00 2.06 -1.737364959e+00 -4.108021872e+00 -2.827780757e+00 -1.743942631e+00 -1.755998288e+00 -2.743285127e+00 -3.554952527e+00 -2.500286510e+00 -3.466084001e+00 -3.221617301e+00 2.08 -2.145347876e+00 -4.172074035e+00 -3.099323196e+00 -2.154805064e+00 -2.168353004e+00 -2.802367072e+00 -3.651959364e+00 -2.803330403e+00 -3.486259880e+00 -3.339957938e+00 2.10 -2.494283855e+00 -4.222558961e+00 -3.331049878e+00 -2.506136809e+00 -2.520398008e+00 -2.857499199e+00 -3.733029631e+00 -3.064642303e+00 -3.491408049e+00 -3.444761420e+00 2.12 -2.794203073e+00 -4.260864193e+00 -3.527402784e+00 -2.807824576e+00 -2.822084988e+00 -2.906026760e+00 -3.799582966e+00 -3.290887903e+00 -3.491822718e+00 -3.536304310e+00 2.14 -3.053158333e+00 -4.288271417e+00 -3.692381575e+00 -3.067757216e+00 -3.081370025e+00 -2.946698122e+00 -3.853272880e+00 -3.487223849e+00 -3.492243968e+00 -3.614834614e+00 2.16 -3.277631473e+00 -4.305953538e+00 -3.829857408e+00 -3.292246100e+00 -3.304627837e+00 -2.979444195e+00 -3.895807727e+00 -3.657568965e+00 -3.492919581e+00 -3.680730533e+00 2.18 -3.472806968e+00 -4.314835635e+00 -3.943419311e+00 -3.486359734e+00 -3.497003711e+00 -3.004806743e+00 -3.928849087e+00 -3.804914876e+00 -3.491727720e+00 -3.734550681e+00 2.20 -3.642826856e+00 -4.315841351e+00 -4.036386134e+00 -3.654216035e+00 -3.662689975e+00 -3.023537754e+00 -3.953965160e+00 -3.931698861e+00 -3.486921162e+00 -3.777199999e+00 2.22 -3.790819281e+00 -4.311219960e+00 -4.111799401e+00 -3.799099220e+00 -3.805069646e+00 -3.036414938e+00 -3.972955137e+00 -4.039965085e+00 -3.477731672e+00 -3.810555579e+00 2.24 -3.918992669e+00 -4.302274625e+00 -4.172376389e+00 -3.923611392e+00 -3.926879235e+00 -3.044205614e+00 -3.988809921e+00 -4.131424491e+00 -3.464166936e+00 -3.837465708e+00 2.26 -4.028919776e+00 -4.282265060e+00 -4.220449780e+00 -4.029830324e+00 -4.030344832e+00 -3.047633053e+00 -4.000758677e+00 -4.207702430e+00 -3.446747679e+00 -3.854757779e+00 2.28 -4.122072387e+00 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