# 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--ipr2 # composition = CoNi # 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 B1--NaCl--rock-s B1--NaCl--rock-s B2--CsCl B2--CsCl B3--ZnS--cubic-z B3--ZnS--cubic-z L1_0--AuCu L1_0--AuCu 0.50 nan nan nan nan nan nan nan nan 0.52 nan nan nan nan nan nan nan nan 0.54 nan nan nan nan nan nan nan nan 0.56 nan nan nan nan nan nan nan nan 0.58 nan nan nan nan nan nan nan nan 0.60 nan nan nan nan nan nan nan nan 0.62 nan nan nan nan nan nan nan nan 0.64 nan nan nan nan nan nan nan nan 0.66 nan nan nan nan nan nan nan nan 0.68 nan nan nan nan nan nan nan nan 0.70 nan nan nan nan nan nan nan nan 0.72 nan nan nan nan nan nan nan nan 0.74 nan nan nan nan nan nan nan nan 0.76 nan nan nan nan nan nan nan nan 0.78 nan nan nan nan nan nan nan nan 0.80 nan nan nan nan nan nan nan nan 0.82 nan nan nan nan nan nan nan nan 0.84 nan nan nan nan nan nan nan nan 0.86 nan nan nan nan 6.635198661e+04 6.635198661e+04 nan nan 0.88 nan nan nan nan 5.776842412e+04 5.776842412e+04 nan nan 0.90 nan nan nan nan 4.991030086e+04 4.991030086e+04 nan nan 0.92 nan nan nan nan 4.269377698e+04 4.269377698e+04 nan nan 0.94 nan nan nan nan 3.606889618e+04 3.606889618e+04 nan nan 0.96 nan nan nan nan 3.000840733e+04 3.000840733e+04 nan nan 0.98 nan nan nan nan 2.447271928e+04 2.447271928e+04 nan nan 1.00 6.322238762e+04 6.322238762e+04 nan nan 1.941820786e+04 1.941820786e+04 nan nan 1.02 5.606479637e+04 5.606479637e+04 nan nan 1.479665946e+04 1.479665946e+04 nan nan 1.04 4.941043605e+04 4.941043605e+04 nan nan 1.054710361e+04 1.054710361e+04 nan nan 1.06 4.321248316e+04 4.321248316e+04 nan nan 6.623762220e+03 6.623762220e+03 nan nan 1.08 3.744207680e+04 3.744207680e+04 nan nan 3.337154315e+03 3.337154315e+03 nan nan 1.10 3.208440522e+04 3.208440522e+04 nan nan 1.369328273e+03 1.369328273e+03 nan nan 1.12 2.711663034e+04 2.711663034e+04 5.361348865e+04 5.361348865e+04 3.721294874e+02 3.721294874e+02 5.992438233e+04 5.992438233e+04 1.14 2.252024419e+04 2.252024419e+04 4.761721482e+04 4.761721482e+04 -1.138352124e+01 -1.138352124e+01 5.367483422e+04 5.367483422e+04 1.16 1.826480821e+04 1.826480821e+04 4.206383385e+04 4.206383385e+04 -8.374637154e+01 -8.374637154e+01 4.782230461e+04 4.782230461e+04 1.18 1.432037059e+04 1.432037059e+04 3.691753083e+04 3.691753083e+04 -5.837528569e+01 -5.837528569e+01 4.232434641e+04 4.232434641e+04 1.20 1.064947895e+04 1.064947895e+04 3.213503751e+04 3.213503751e+04 -3.457213779e+01 -3.457213779e+01 3.715844676e+04 3.715844676e+04 1.22 7.222271752e+03 7.222271752e+03 2.767398669e+04 2.767398669e+04 -1.690943485e+01 -1.690943485e+01 3.230377830e+04 3.230377830e+04 1.24 4.132911152e+03 4.132911152e+03 2.349771800e+04 2.349771800e+04 -4.068293539e+00 -4.068293539e+00 2.775380874e+04 2.775380874e+04 1.26 2.038755047e+03 2.038755047e+03 1.957047027e+04 1.957047027e+04 5.209479490e+00 5.209479490e+00 2.349635261e+04 2.349635261e+04 1.28 7.948981192e+02 7.948981192e+02 1.587260685e+04 1.587260685e+04 1.171457992e+01 1.171457992e+01 1.952326577e+04 1.952326577e+04 1.30 1.666971926e+02 1.666971926e+02 1.238389321e+04 1.238389321e+04 1.609087691e+01 1.609087691e+01 1.582133451e+04 1.582133451e+04 1.32 -7.704201913e+01 -7.704201913e+01 9.092921879e+03 9.092921879e+03 1.885521310e+01 1.885521310e+01 1.237426358e+04 1.237426358e+04 1.34 -1.194989004e+02 -1.194989004e+02 5.985613436e+03 5.985613436e+03 2.043326313e+01 2.043326313e+01 9.163155121e+03 9.163155121e+03 1.36 -9.507845365e+01 -9.507845365e+01 3.372953814e+03 3.372953814e+03 2.114538912e+01 2.114538912e+01 6.164829233e+03 6.164829233e+03 1.38 -7.162634861e+01 -7.162634861e+01 1.658208223e+03 1.658208223e+03 2.123875346e+01 2.123875346e+01 3.605290998e+03 3.605290998e+03 1.40 -5.314099798e+01 -5.314099798e+01 6.354162256e+02 6.354162256e+02 2.089731958e+01 2.089731958e+01 1.883559636e+03 1.883559636e+03 1.42 -3.868781389e+01 -3.868781389e+01 1.125252518e+02 1.125252518e+02 2.025307158e+01 2.025307158e+01 8.108367779e+02 8.108367779e+02 1.44 -2.740968186e+01 -2.740968186e+01 -9.512803455e+01 -9.512803455e+01 1.939736159e+01 1.939736159e+01 2.196108010e+02 2.196108010e+02 1.46 -1.865292304e+01 -1.865292304e+01 -1.323773920e+02 -1.323773920e+02 1.839606059e+01 1.839606059e+01 -5.135138950e+01 -5.135138950e+01 1.48 -1.194265368e+01 -1.194265368e+01 -1.091151199e+02 -1.091151199e+02 1.727526666e+01 1.727526666e+01 -1.321058790e+02 -1.321058790e+02 1.50 -6.871576487e+00 -6.871576487e+00 -8.568904259e+01 -8.568904259e+01 1.608637466e+01 1.608637466e+01 -1.233964791e+02 -1.233964791e+02 1.52 -3.110031304e+00 -3.110031304e+00 -6.687164991e+01 -6.687164991e+01 1.485546264e+01 1.485546264e+01 -9.892828284e+01 -9.892828284e+01 1.54 -3.665365864e-01 -3.665365864e-01 -5.191369616e+01 -5.191369616e+01 1.361076442e+01 1.361076442e+01 -7.873842523e+01 -7.873842523e+01 1.56 1.586117041e+00 1.586117041e+00 -4.008724753e+01 -4.008724753e+01 1.238002507e+01 1.238002507e+01 -6.225072938e+01 -6.225072938e+01 1.58 2.932222918e+00 2.932222918e+00 -3.080943689e+01 -3.080943689e+01 1.118610960e+01 1.118610960e+01 -4.887251288e+01 -4.887251288e+01 1.60 3.817108889e+00 3.817108889e+00 -2.358644258e+01 -2.358644258e+01 1.004579605e+01 1.004579605e+01 -3.809889035e+01 -3.809889035e+01 1.62 4.358696972e+00 4.358696972e+00 -1.798382663e+01 -1.798382663e+01 8.970878276e+00 8.970878276e+00 -2.947388094e+01 -2.947388094e+01 1.64 4.641758103e+00 4.641758103e+00 -1.365474143e+01 -1.365474143e+01 7.966965028e+00 7.966965028e+00 -2.260335937e+01 -2.260335937e+01 1.66 4.728165319e+00 4.728165319e+00 -1.031590565e+01 -1.031590565e+01 7.035625326e+00 7.035625326e+00 -1.715702752e+01 -1.715702752e+01 1.68 4.662122384e+00 4.662122384e+00 -7.752985316e+00 -7.752985316e+00 6.175369243e+00 6.175369243e+00 -1.285567040e+01 -1.285567040e+01 1.70 4.477692527e+00 4.477692527e+00 -5.785618124e+00 -5.785618124e+00 5.382799319e+00 5.382799319e+00 -9.468028709e+00 -9.468028709e+00 1.72 4.196319095e+00 4.196319095e+00 -4.286985476e+00 -4.286985476e+00 4.653128431e+00 4.653128431e+00 -6.809920779e+00 -6.809920779e+00 1.74 3.844456825e+00 3.844456825e+00 -3.152973950e+00 -3.152973950e+00 3.981106704e+00 3.981106704e+00 -4.732727121e+00 -4.732727121e+00 1.76 3.440693703e+00 3.440693703e+00 -2.271126260e+00 -2.271126260e+00 3.361218286e+00 3.361218286e+00 -3.120935699e+00 -3.120935699e+00 1.78 3.004423398e+00 3.004423398e+00 -1.575380042e+00 -1.575380042e+00 2.788495504e+00 2.788495504e+00 -1.881871901e+00 -1.881871901e+00 1.80 2.552266412e+00 2.552266412e+00 -1.033733369e+00 -1.033733369e+00 2.258187404e+00 2.258187404e+00 -9.563854159e-01 -9.563854159e-01 1.82 2.098744086e+00 2.098744086e+00 -6.193383879e-01 -6.193383879e-01 1.765923347e+00 1.765923347e+00 -2.822489848e-01 -2.822489848e-01 1.84 1.653231976e+00 1.653231976e+00 -3.318943724e-01 -3.318943724e-01 1.307737123e+00 1.307737123e+00 1.781813652e-01 1.781813652e-01 1.86 1.223100704e+00 1.223100704e+00 -1.504556804e-01 -1.504556804e-01 8.801028012e-01 8.801028012e-01 4.555148348e-01 4.555148348e-01 1.88 8.113738684e-01 8.113738684e-01 -6.998722976e-02 -6.998722976e-02 4.803041969e-01 4.803041969e-01 5.708052057e-01 5.708052057e-01 1.90 4.182701497e-01 4.182701497e-01 -8.545378686e-02 -8.545378686e-02 1.058782597e-01 1.058782597e-01 5.474100430e-01 5.474100430e-01 1.92 4.316706077e-02 4.316706077e-02 -1.884527894e-01 -1.884527894e-01 -2.451929779e-01 -2.451929779e-01 4.032523853e-01 4.032523853e-01 1.94 -3.174561329e-01 -3.174561329e-01 -3.690058847e-01 -3.690058847e-01 -5.750017672e-01 -5.750017672e-01 1.575019546e-01 1.575019546e-01 1.96 -6.671897613e-01 -6.671897613e-01 -6.179868426e-01 -6.179868426e-01 -8.856914267e-01 -8.856914267e-01 -1.497427645e-01 -1.497427645e-01 1.98 -1.010260285e+00 -1.010260285e+00 -9.244479355e-01 -9.244479355e-01 -1.180003630e+00 -1.180003630e+00 -5.073381613e-01 -5.073381613e-01 2.00 -1.351145479e+00 -1.351145479e+00 -1.279893434e+00 -1.279893434e+00 -1.461042331e+00 -1.461042331e+00 -9.067867264e-01 -9.067867264e-01 2.02 -1.670876830e+00 -1.670876830e+00 -1.645398075e+00 -1.645398075e+00 -1.716347338e+00 -1.716347338e+00 -1.310365537e+00 -1.310365537e+00 2.04 -1.951072419e+00 -1.951072419e+00 -1.985520112e+00 -1.985520112e+00 -1.934465918e+00 -1.934465918e+00 -1.683385958e+00 -1.683385958e+00 2.06 -2.197556465e+00 -2.197556465e+00 -2.298797199e+00 -2.298797199e+00 -2.120025047e+00 -2.120025047e+00 -2.025727322e+00 -2.025727322e+00 2.08 -2.415260363e+00 -2.415260363e+00 -2.584707864e+00 -2.584707864e+00 -2.277162070e+00 -2.277162070e+00 -2.336871559e+00 -2.336871559e+00 2.10 -2.608588776e+00 -2.608588776e+00 -2.843865345e+00 -2.843865345e+00 -2.409542500e+00 -2.409542500e+00 -2.617750261e+00 -2.617750261e+00 2.12 -2.780440066e+00 -2.780440066e+00 -3.076080900e+00 -3.076080900e+00 -2.520228024e+00 -2.520228024e+00 -2.869436085e+00 -2.869436085e+00 2.14 -2.934217980e+00 -2.934217980e+00 -3.283393228e+00 -3.283393228e+00 -2.612024954e+00 -2.612024954e+00 -3.093876396e+00 -3.093876396e+00 2.16 -3.072057495e+00 -3.072057495e+00 -3.467087841e+00 -3.467087841e+00 -2.687271064e+00 -2.687271064e+00 -3.292968782e+00 -3.292968782e+00 2.18 -3.195489002e+00 -3.195489002e+00 -3.628638726e+00 -3.628638726e+00 -2.747979758e+00 -2.747979758e+00 -3.468785471e+00 -3.468785471e+00 2.20 -3.305529374e+00 -3.305529374e+00 -3.769571693e+00 -3.769571693e+00 -2.795865428e+00 -2.795865428e+00 -3.623410443e+00 -3.623410443e+00 2.22 -3.402807557e+00 -3.402807557e+00 -3.891351326e+00 -3.891351326e+00 -2.832367686e+00 -2.832367686e+00 -3.758721789e+00 -3.758721789e+00 2.24 -3.487746188e+00 -3.487746188e+00 -3.995379338e+00 -3.995379338e+00 -2.858665952e+00 -2.858665952e+00 -3.876566491e+00 -3.876566491e+00 2.26 -3.560491031e+00 -3.560491031e+00 -4.083079341e+00 -4.083079341e+00 -2.875862655e+00 -2.875862655e+00 -3.978622022e+00 -3.978622022e+00 2.28 -3.621322399e+00 -3.621322399e+00 -4.155838302e+00 -4.155838302e+00 -2.884868804e+00 -2.884868804e+00 -4.066435336e+00 -4.066435336e+00 2.30 -3.670414060e+00 -3.670414060e+00 -4.215023260e+00 -4.215023260e+00 -2.886569523e+00 -2.886569523e+00 -4.141411767e+00 -4.141411767e+00 2.32 -3.708084043e+00 -3.708084043e+00 -4.261926383e+00 -4.261926383e+00 -2.881771731e+00 -2.881771731e+00 -4.204867017e+00 -4.204867017e+00 2.34 -3.734851196e+00 -3.734851196e+00 -4.297766860e+00 -4.297766860e+00 -2.871206834e+00 -2.871206834e+00 -4.257776905e+00 -4.257776905e+00 2.36 -3.751379253e+00 -3.751379253e+00 -4.323687418e+00 -4.323687418e+00 -2.855532452e+00 -2.855532452e+00 -4.301272173e+00 -4.301272173e+00 2.38 -3.758436483e+00 -3.758436483e+00 -4.340747557e+00 -4.340747557e+00 -2.835334026e+00 -2.835334026e+00 -4.336138423e+00 -4.336138423e+00 2.40 -3.756875764e+00 -3.756875764e+00 -4.349915408e+00 -4.349915408e+00 -2.811126991e+00 -2.811126991e+00 -4.363131754e+00 -4.363131754e+00 2.42 -3.747610922e+00 -3.747610922e+00 -4.352059507e+00 -4.352059507e+00 -2.783359745e+00 -2.783359745e+00 -4.382903259e+00 -4.382903259e+00 2.44 -3.731586326e+00 -3.731586326e+00 -4.348103548e+00 -4.348103548e+00 -2.752417448e+00 -2.752417448e+00 -4.395786429e+00 -4.395786429e+00 2.46 -3.709733686e+00 -3.709733686e+00 -4.338250916e+00 -4.338250916e+00 -2.718626602e+00 -2.718626602e+00 -4.402276984e+00 -4.402276984e+00 2.48 -3.682917877e+00 -3.682917877e+00 -4.323367584e+00 -4.323367584e+00 -2.682260319e+00 -2.682260319e+00 -4.402644171e+00 -4.402644171e+00 2.50 -3.651882058e+00 -3.651882058e+00 -4.303820425e+00 -4.303820425e+00 -2.643544243e+00 -2.643544243e+00 -4.397104159e+00 -4.397104159e+00 2.52 -3.617205076e+00 -3.617205076e+00 -4.279934592e+00 -4.279934592e+00 -2.602624616e+00 -2.602624616e+00 -4.385847903e+00 -4.385847903e+00 2.54 -3.579282697e+00 -3.579282697e+00 -4.251773969e+00 -4.251773969e+00 -2.559759216e+00 -2.559759216e+00 -4.369124445e+00 -4.369124445e+00 2.56 -3.538388090e+00 -3.538388090e+00 -4.219605763e+00 -4.219605763e+00 -2.514983457e+00 -2.514983457e+00 -4.346989919e+00 -4.346989919e+00 2.58 -3.494767959e+00 -3.494767959e+00 -4.183520444e+00 -4.183520444e+00 -2.468419923e+00 -2.468419923e+00 -4.319784226e+00 -4.319784226e+00 2.60 -3.448758483e+00 -3.448758483e+00 -4.143612554e+00 -4.143612554e+00 -2.420175443e+00 -2.420175443e+00 -4.287751163e+00 -4.287751163e+00 2.62 -3.400606970e+00 -3.400606970e+00 -4.099998940e+00 -4.099998940e+00 -2.370348221e+00 -2.370348221e+00 -4.251174213e+00 -4.251174213e+00 2.64 -3.350594831e+00 -3.350594831e+00 -4.052827582e+00 -4.052827582e+00 -2.319035349e+00 -2.319035349e+00 -4.210373681e+00 -4.210373681e+00 2.66 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