# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2016--Beland-L-K-Lu-C-Osetskiy-Y-N-et-al--Ni-Co # implementation = 2016--Beland-L-K--Ni-Co--LAMMPS--ipr1 # composition = CoNi3 # 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 A15--Cr3Si D0_3--BiF3 L1_2--AuCu3 0.50 nan nan nan 0.52 nan nan nan 0.54 nan nan nan 0.56 nan nan nan 0.58 nan nan nan 0.60 nan nan nan 0.62 nan nan nan 0.64 nan nan nan 0.66 nan nan nan 0.68 nan nan nan 0.70 nan nan nan 0.72 nan nan nan 0.74 nan nan nan 0.76 nan nan nan 0.78 nan nan nan 0.80 nan nan nan 0.82 nan nan nan 0.84 nan nan nan 0.86 nan nan nan 0.88 nan nan nan 0.90 nan nan nan 0.92 nan nan nan 0.94 nan nan nan 0.96 nan nan nan 0.98 nan nan nan 1.00 3.221989562e+04 nan nan 1.02 2.866932193e+04 nan nan 1.04 2.537785092e+04 nan nan 1.06 2.231173227e+04 nan nan 1.08 1.944662368e+04 nan nan 1.10 1.676534015e+04 3.077468029e+04 nan 1.12 1.425635876e+04 2.756710171e+04 3.269394092e+04 1.14 1.191055878e+04 2.457605991e+04 2.941523673e+04 1.16 9.716450868e+03 2.178164748e+04 2.635352915e+04 1.18 7.663782791e+03 1.916662169e+04 2.348949165e+04 1.20 5.743357888e+03 1.671506052e+04 2.080600684e+04 1.22 3.947382228e+03 1.441198159e+04 1.829210123e+04 1.24 2.295689977e+03 1.224970882e+04 1.593601535e+04 1.26 1.132929389e+03 1.021804595e+04 1.373343202e+04 1.28 4.484102715e+02 8.312761664e+03 1.167636022e+04 1.30 1.009973433e+02 6.529186578e+03 9.758558774e+03 1.32 -3.902732848e+01 4.862653237e+03 7.972191510e+03 1.34 -7.036383793e+01 3.305684600e+03 6.307668487e+03 1.36 -6.027237737e+01 1.934259871e+03 4.754544427e+03 1.38 -4.745073018e+01 1.003245534e+03 3.302058285e+03 1.40 -3.718456325e+01 4.282956738e+02 2.006342712e+03 1.42 -2.891966088e+01 1.144797916e+02 1.096919856e+03 1.44 -2.224771115e+01 -2.736117000e+01 5.100739052e+02 1.46 -1.683795986e+01 -6.880699799e+01 1.682435727e+02 1.48 -1.246163874e+01 -6.371264515e+01 -1.928795250e+00 1.50 -8.927369269e+00 -5.050180243e+01 -6.431873744e+01 1.52 -6.092196098e+00 -3.968963128e+01 -6.913594074e+01 1.54 -3.838311952e+00 -3.094020815e+01 -5.609569484e+01 1.56 -2.076020709e+00 -2.390284301e+01 -4.438564668e+01 1.58 -7.301246542e-01 -1.827064312e+01 -3.470967083e+01 1.60 2.576213468e-01 -1.378741629e+01 -2.677883972e+01 1.62 9.386383493e-01 -1.022919503e+01 -2.031811075e+01 1.64 1.356633934e+00 -7.417987301e+00 -1.509910130e+01 1.66 1.549176438e+00 -5.209063992e+00 -1.091904787e+01 1.68 1.551921944e+00 -3.486435366e+00 -7.603446662e+00 1.70 1.397810962e+00 -2.158570324e+00 -5.001560951e+00 1.72 1.117851888e+00 -1.153906195e+00 -2.987213109e+00 1.74 7.409732170e-01 -4.131483455e-01 -1.455959783e+00 1.76 2.943727697e-01 1.253662088e-01 -3.222014627e-01 1.78 -1.995311661e-01 4.990584191e-01 4.867001316e-01 1.80 -7.123623021e-01 7.293921486e-01 1.028397158e+00 1.82 -1.189431608e+00 8.341637793e-01 1.355286448e+00 1.84 -1.623908970e+00 8.300521645e-01 1.500824798e+00 1.86 -2.015570949e+00 7.296298410e-01 1.505363239e+00 1.88 -2.366080203e+00 5.470451157e-01 1.394822883e+00 1.90 -2.676597146e+00 2.954774948e-01 1.190877492e+00 1.92 -2.951262437e+00 -1.094444568e-02 9.132683537e-01 1.94 -3.192221408e+00 -3.583918671e-01 5.773409222e-01 1.96 -3.402736407e+00 -7.347178031e-01 1.972899926e-01 1.98 -3.585913827e+00 -1.127905914e+00 -2.148382193e-01 2.00 -3.744631852e+00 -1.528224953e+00 -6.483085510e-01 2.02 -3.881461865e+00 -1.912308161e+00 -1.073133384e+00 2.04 -3.998578893e+00 -2.262013723e+00 -1.462976960e+00 2.06 -4.097707246e+00 -2.577291188e+00 -1.819398581e+00 2.08 -4.180312006e+00 -2.858910699e+00 -2.143900596e+00 2.10 -4.247607150e+00 -3.108473613e+00 -2.438291335e+00 2.12 -4.300828051e+00 -3.327307281e+00 -2.703516341e+00 2.14 -4.341034536e+00 -3.518032193e+00 -2.942008303e+00 2.16 -4.369217911e+00 -3.682913948e+00 -3.155578509e+00 2.18 -4.386315062e+00 -3.824289477e+00 -3.346108240e+00 2.20 -4.393221500e+00 -3.944433378e+00 -3.515471481e+00 2.22 -4.390803146e+00 -4.045460518e+00 -3.665470146e+00 2.24 -4.379899983e+00 -4.129287210e+00 -3.797761265e+00 2.26 -4.361215706e+00 -4.197799056e+00 -3.913902486e+00 2.28 -4.335459700e+00 -4.252636624e+00 -4.015181186e+00 2.30 -4.303231477e+00 -4.295407179e+00 -4.102762709e+00 2.32 -4.265114805e+00 -4.327568668e+00 -4.177726963e+00 2.34 -4.221780204e+00 -4.350431528e+00 -4.241151377e+00 2.36 -4.173567555e+00 -4.365158833e+00 -4.294043600e+00 2.38 -4.121212743e+00 -4.372766351e+00 -4.337345992e+00 2.40 -4.065228383e+00 -4.374123559e+00 -4.371833611e+00 2.42 -4.006138013e+00 -4.369956092e+00 -4.398180074e+00 2.44 -3.944479259e+00 -4.360922895e+00 -4.417129978e+00 2.46 -3.880796809e+00 -4.347279425e+00 -4.429208748e+00 2.48 -3.815629367e+00 -4.329507722e+00 -4.434872369e+00 2.50 -3.749491687e+00 -4.307798097e+00 -4.434506926e+00 2.52 -3.682854984e+00 -4.282281341e+00 -4.428431849e+00 2.54 -3.616131421e+00 -4.252940507e+00 -4.416907873e+00 2.56 -3.549663301e+00 -4.219869082e+00 -4.400148619e+00 2.58 -3.483718356e+00 -4.183077688e+00 -4.378364174e+00 2.60 -3.418491408e+00 -4.142600742e+00 -4.351713524e+00 2.62 -3.354099808e+00 -4.098507013e+00 -4.320472933e+00 2.64 -3.290572328e+00 -4.050902532e+00 -4.284884596e+00 2.66 -3.227860529e+00 -3.999947657e+00 -4.245211442e+00 2.68 -3.165875127e+00 -3.945874398e+00 -4.201748905e+00 2.70 -3.104504416e+00 -3.889002115e+00 -4.154826757e+00 2.72 -3.043625732e+00 -3.829744826e+00 -4.104801788e+00 2.74 -2.983117483e+00 -3.768572842e+00 -4.052043170e+00 2.76 -2.922851196e+00 -3.705944936e+00 -3.996914503e+00 2.78 -2.862798143e+00 -3.642317911e+00 -3.939759445e+00 2.80 -2.802847264e+00 -3.578098660e+00 -3.880891651e+00 2.82 -2.742921092e+00 -3.513634082e+00 -3.820609535e+00 2.84 -2.682926768e+00 -3.449191058e+00 -3.759104539e+00 2.86 -2.622754384e+00 -3.384942689e+00 -3.696631817e+00 2.88 -2.562273101e+00 -3.320998164e+00 -3.633371426e+00 2.90 -2.501319877e+00 -3.257440972e+00 -3.569483063e+00 2.92 -2.439676733e+00 -3.194333993e+00 -3.505109269e+00 2.94 -2.377053375e+00 -3.131722426e+00 -3.440378122e+00 2.96 -2.313084776e+00 -3.069639465e+00 -3.375405504e+00 2.98 -2.247364777e+00 -3.008107887e+00 -3.310297041e+00 3.00 -2.179724217e+00 -2.947139127e+00 -3.245149551e+00 3.02 -2.111107458e+00 -2.886731815e+00 -3.180053623e+00 3.04 -2.043857561e+00 -2.826870086e+00 -3.115090002e+00 3.06 -1.979627103e+00 -2.767521794e+00 -3.050329793e+00 3.08 -1.918127160e+00 -2.708636666e+00 -2.985836650e+00 3.10 -1.858474519e+00 -2.650144292e+00 -2.921668706e+00 3.12 -1.799958009e+00 -2.591951560e+00 -2.857880044e+00 3.14 -1.743108698e+00 -2.533938882e+00 -2.794521559e+00 3.16 -1.691776554e+00 -2.475942311e+00 -2.731609006e+00 3.18 -1.647306759e+00 -2.417795629e+00 -2.669270007e+00 3.20 -1.606891943e+00 -2.359210913e+00 -2.607480546e+00 3.22 -1.568835038e+00 -2.299830775e+00 -2.546274633e+00 3.24 -1.532402264e+00 -2.239211511e+00 -2.485672406e+00 3.26 -1.497243258e+00 -2.176952957e+00 -2.425674107e+00 3.28 -1.463170735e+00 -2.113380024e+00 -2.366254096e+00 3.30 -1.430072930e+00 -2.050347407e+00 -2.307356939e+00 3.32 -1.397875275e+00 -1.990432625e+00 -2.248894873e+00 3.34 -1.366522523e+00 -1.933748689e+00 -2.190751070e+00 3.36 -1.335970099e+00 -1.879373910e+00 -2.132804102e+00 3.38 -1.306179882e+00 -1.826415527e+00 -2.075041546e+00 3.40 -1.277118184e+00 -1.774706791e+00 -2.017770359e+00 3.42 -1.248754850e+00 -1.727137822e+00 -1.961742386e+00 3.44 -1.221062901e+00 -1.686599036e+00 -1.907847848e+00 3.46 -1.194018453e+00 -1.650736796e+00 -1.856543733e+00 3.48 -1.167600941e+00 -1.617358279e+00 -1.807682423e+00 3.50 -1.141696453e+00 -1.585498913e+00 -1.760849231e+00 3.52 -1.116539815e+00 -1.554712648e+00 -1.715623095e+00 3.54 -1.091941457e+00 -1.524769832e+00 -1.671620336e+00 3.56 -1.067905205e+00 -1.495541441e+00 -1.628692360e+00 3.58 -1.044435060e+00 -1.466949255e+00 -1.587651833e+00 3.60 -1.021534943e+00 -1.438942417e+00 -1.550500426e+00 3.62 -9.992084361e-01 -1.411485604e+00 -1.517713952e+00 3.64 -9.774566221e-01 -1.384552723e+00 -1.487797895e+00 3.66 -9.562864929e-01 -1.358123410e+00 -1.460105838e+00 3.68 -9.356959790e-01 -1.332181003e+00 -1.433703313e+00 3.70 -9.156851423e-01 -1.306711341e+00 -1.408259759e+00 3.72 -8.962526618e-01 -1.281702086e+00 -1.383573739e+00 3.74 -8.773956642e-01 -1.257142376e+00 -1.359513031e+00 3.76 -8.591095713e-01 -1.233022520e+00 -1.335984983e+00 3.78 -8.413879789e-01 -1.209333734e+00 -1.312920879e+00 3.80 -8.242225543e-01 -1.186067959e+00 -1.290267301e+00 3.82 -8.076029565e-01 -1.163217700e+00 -1.267981134e+00 3.84 -7.915167926e-01 -1.140775900e+00 -1.246026604e+00 3.86 -7.759495999e-01 -1.118735436e+00 -1.224373469e+00 3.88 -7.608848651e-01 -1.097090722e+00 -1.202995937e+00 3.90 -7.463040668e-01 -1.075834891e+00 -1.181872171e+00 3.92 -7.321867664e-01 -1.054961588e+00 -1.160983914e+00 3.94 -7.185107214e-01 -1.034464465e+00 -1.140316119e+00 3.96 -7.052520203e-01 -1.014337096e+00 -1.119856666e+00 3.98 -6.923853118e-01 -9.945728984e-01 -1.099596151e+00 4.00 -6.798840715e-01 -9.751650623e-01 -1.079527690e+00 4.02 -6.677206723e-01 -9.561065032e-01 -1.059646765e+00 4.04 -6.558666601e-01 -9.373899126e-01 -1.039951057e+00 4.06 -6.442934187e-01 -9.190077614e-01 -1.020440301e+00 4.08 -6.329764038e-01 -9.009522668e-01 -1.001116134e+00 4.10 -6.218873291e-01 -8.832153688e-01 -9.819819353e-01 4.12 -6.109878018e-01 -8.657887209e-01 -9.630426696e-01 4.14 -6.002477767e-01 -8.486636999e-01 -9.443047293e-01 4.16 -5.896542255e-01 -8.318314175e-01 -9.257757596e-01 4.18 -5.792000022e-01 -8.152827591e-01 -9.074644942e-01 4.20 -5.688743361e-01 -7.990084308e-01 -8.893805803e-01 4.22 -5.586639793e-01 -7.829990299e-01 -8.715344048e-01 4.24 -5.485547180e-01 -7.672451260e-01 -8.539369132e-01 4.26 -5.385388000e-01 -7.517373656e-01 -8.365994403e-01 4.28 -5.286080349e-01 -7.364665889e-01 -8.195335297e-01 4.30 -5.187535038e-01 -7.214239757e-01 -8.027507602e-01 4.32 -5.089657551e-01 -7.066011766e-01 -7.862625769e-01 4.34 -4.992349828e-01 -6.919905062e-01 -7.700801241e-01 4.36 -4.895511809e-01 -6.775851350e-01 -7.542140861e-01 4.38 -4.799042889e-01 -6.633792360e-01 -7.386745324e-01 4.40 -4.702843353e-01 -6.493684531e-01 -7.234707845e-01 4.42 -4.606815534e-01 -6.355496333e-01 -7.086112444e-01 4.44 -4.510865661e-01 -6.219215693e-01 -6.941032760e-01 4.46 -4.414905298e-01 -6.084845220e-01 -6.799436320e-01 4.48 -4.318853081e-01 -5.952433131e-01 -6.661604092e-01 4.50 -4.222636277e-01 -5.822059844e-01 -6.527420368e-01 4.52 -4.126192549e-01 -5.693762026e-01 -6.396907075e-01 4.54 -4.029471997e-01 -5.567530677e-01 -6.270077208e-01 4.56 -3.932439259e-01 -5.443383769e-01 -6.146954746e-01 4.58 -3.835075153e-01 -5.321387282e-01 -6.027521875e-01 4.60 -3.737378495e-01 -5.201659602e-01 -5.911652235e-01 4.62 -3.639368495e-01 -5.084281992e-01 -5.799242011e-01 4.64 -3.541086485e-01 -4.969298657e-01 -5.690251035e-01 4.66 -3.442590114e-01 -4.856720274e-01 -5.584703582e-01 4.68 -3.343942356e-01 -4.746505543e-01 -5.482566184e-01 4.70 -3.245211217e-01 -4.638626414e-01 -5.383750845e-01 4.72 -3.146469601e-01 -4.533050198e-01 -5.288105639e-01 4.74 -3.047794886e-01 -4.429732413e-01 -5.195442162e-01 4.76 -2.949266558e-01 -4.328616388e-01 -5.105588895e-01 4.78 -2.850967621e-01 -4.229635705e-01 -5.018358902e-01 4.80 -2.752984250e-01 -4.132715034e-01 -4.933551810e-01 4.82 -2.655406501e-01 -4.037768577e-01 -4.850955975e-01 4.84 -2.558323299e-01 -3.944703814e-01 -4.770350496e-01 4.86 -2.461825077e-01 -3.853423486e-01 -4.691507291e-01 4.88 -2.366003111e-01 -3.763823031e-01 -4.614193188e-01 4.90 -2.270952431e-01 -3.675793325e-01 -4.538171822e-01 4.92 -2.176766668e-01 -3.589221804e-01 -4.463206091e-01 4.94 -2.083536920e-01 -3.504001614e-01 -4.389060441e-01 4.96 -1.991353794e-01 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