# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2018--Farkas-D-Caro-A--Fe-Ni-Cr-Co-Cu # implementation = 2018--Farkas-D--Fe-Ni-Cr-Co-Cu--LAMMPS--ipr1 # 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 -3.808404891e+02 -3.808404891e+02 nan nan 0.84 nan nan nan nan -3.516427726e+02 -3.516427726e+02 nan nan 0.86 nan nan nan nan -3.244532383e+02 -3.244532383e+02 nan nan 0.88 nan nan nan nan -2.990655666e+02 -2.990655666e+02 nan nan 0.90 nan nan nan nan -2.758466257e+02 -2.758466257e+02 nan nan 0.92 -4.215943098e+02 -4.215943098e+02 nan nan -2.544776187e+02 -2.544776187e+02 nan nan 0.94 -3.935835393e+02 -3.935835393e+02 nan nan -2.341930647e+02 -2.341930647e+02 nan nan 0.96 -3.669243228e+02 -3.669243228e+02 nan nan -2.148577643e+02 -2.148577643e+02 nan nan 0.98 -3.423881416e+02 -3.423881416e+02 nan nan -1.966698540e+02 -1.966698540e+02 nan nan 1.00 -3.199819057e+02 -3.199819057e+02 nan nan -1.795955721e+02 -1.795955721e+02 nan nan 1.02 -2.994245015e+02 -2.994245015e+02 nan nan -1.636553795e+02 -1.636553795e+02 nan nan 1.04 -2.806802123e+02 -2.806802123e+02 -3.746314417e+02 -3.746314417e+02 -1.486602647e+02 -1.486602647e+02 -3.952668622e+02 -3.952668622e+02 1.06 -2.636806571e+02 -2.636806571e+02 -3.537542686e+02 -3.537542686e+02 -1.347861279e+02 -1.347861279e+02 -3.727502684e+02 -3.727502684e+02 1.08 -2.478967351e+02 -2.478967351e+02 -3.343712332e+02 -3.343712332e+02 -1.221702727e+02 -1.221702727e+02 -3.514055611e+02 -3.514055611e+02 1.10 -2.329470804e+02 -2.329470804e+02 -3.161082625e+02 -3.161082625e+02 -1.107332766e+02 -1.107332766e+02 -3.310588276e+02 -3.310588276e+02 1.12 -2.189659737e+02 -2.189659737e+02 -2.984704376e+02 -2.984704376e+02 -1.003688149e+02 -1.003688149e+02 -3.118079459e+02 -3.118079459e+02 1.14 -2.059862170e+02 -2.059862170e+02 -2.812794228e+02 -2.812794228e+02 -9.098787521e+01 -9.098787521e+01 -2.937845560e+02 -2.937845560e+02 1.16 -1.938302771e+02 -1.938302771e+02 -2.647745011e+02 -2.647745011e+02 -8.277040585e+01 -8.277040585e+01 -2.772056026e+02 -2.772056026e+02 1.18 -1.822171967e+02 -1.822171967e+02 -2.490369430e+02 -2.490369430e+02 -7.569007129e+01 -7.569007129e+01 -2.619886955e+02 -2.619886955e+02 1.20 -1.708563298e+02 -1.708563298e+02 -2.344491938e+02 -2.344491938e+02 -6.962199859e+01 -6.962199859e+01 -2.480292264e+02 -2.480292264e+02 1.22 -1.596838004e+02 -1.596838004e+02 -2.212037819e+02 -2.212037819e+02 -6.447258272e+01 -6.447258272e+01 -2.351421718e+02 -2.351421718e+02 1.24 -1.488003378e+02 -1.488003378e+02 -2.091279522e+02 -2.091279522e+02 -6.000808847e+01 -6.000808847e+01 -2.231298261e+02 -2.231298261e+02 1.26 -1.381777466e+02 -1.381777466e+02 -1.979234729e+02 -1.979234729e+02 -5.585483239e+01 -5.585483239e+01 -2.118707327e+02 -2.118707327e+02 1.28 -1.278230963e+02 -1.278230963e+02 -1.878091366e+02 -1.878091366e+02 -5.195975010e+01 -5.195975010e+01 -2.011582868e+02 -2.011582868e+02 1.30 -1.176763152e+02 -1.176763152e+02 -1.783297018e+02 -1.783297018e+02 -4.826833183e+01 -4.826833183e+01 -1.908228173e+02 -1.908228173e+02 1.32 -1.078553304e+02 -1.078553304e+02 -1.693351399e+02 -1.693351399e+02 -4.476696465e+01 -4.476696465e+01 -1.808404579e+02 -1.808404579e+02 1.34 -9.828690083e+01 -9.828690083e+01 -1.606045507e+02 -1.606045507e+02 -4.136219375e+01 -4.136219375e+01 -1.712077502e+02 -1.712077502e+02 1.36 -8.922127662e+01 -8.922127662e+01 -1.522102738e+02 -1.522102738e+02 -3.802209133e+01 -3.802209133e+01 -1.619082651e+02 -1.619082651e+02 1.38 -8.075230190e+01 -8.075230190e+01 -1.440873373e+02 -1.440873373e+02 -3.466434974e+01 -3.466434974e+01 -1.529502885e+02 -1.529502885e+02 1.40 -7.302236924e+01 -7.302236924e+01 -1.363699423e+02 -1.363699423e+02 -3.146146379e+01 -3.146146379e+01 -1.443877708e+02 -1.443877708e+02 1.42 -6.614286579e+01 -6.614286579e+01 -1.287742630e+02 -1.287742630e+02 -2.828238313e+01 -2.828238313e+01 -1.362368345e+02 -1.362368345e+02 1.44 -5.996083428e+01 -5.996083428e+01 -1.211693698e+02 -1.211693698e+02 -2.512556445e+01 -2.512556445e+01 -1.284436823e+02 -1.284436823e+02 1.46 -5.436968511e+01 -5.436968511e+01 -1.136269825e+02 -1.136269825e+02 -2.195213207e+01 -2.195213207e+01 -1.208797983e+02 -1.208797983e+02 1.48 -4.915169560e+01 -4.915169560e+01 -1.059661177e+02 -1.059661177e+02 -1.865489763e+01 -1.865489763e+01 -1.134517465e+02 -1.134517465e+02 1.50 -4.427847040e+01 -4.427847040e+01 -9.830487818e+01 -9.830487818e+01 -1.524113655e+01 -1.524113655e+01 -1.061659988e+02 -1.061659988e+02 1.52 -3.974128338e+01 -3.974128338e+01 -9.072785429e+01 -9.072785429e+01 -1.201045589e+01 -1.201045589e+01 -9.902408936e+01 -9.902408936e+01 1.54 -3.552946005e+01 -3.552946005e+01 -8.327367563e+01 -8.327367563e+01 -9.270034370e+00 -9.270034370e+00 -9.197163281e+01 -9.197163281e+01 1.56 -3.161634638e+01 -3.161634638e+01 -7.592190395e+01 -7.592190395e+01 -7.092482240e+00 -7.092482240e+00 -8.501296985e+01 -8.501296985e+01 1.58 -2.796265161e+01 -2.796265161e+01 -6.868078467e+01 -6.868078467e+01 -5.394153152e+00 -5.394153152e+00 -7.813701285e+01 -7.813701285e+01 1.60 -2.452873919e+01 -2.452873919e+01 -6.150583827e+01 -6.150583827e+01 -4.102010067e+00 -4.102010067e+00 -7.137044608e+01 -7.137044608e+01 1.62 -2.143401538e+01 -2.143401538e+01 -5.438849392e+01 -5.438849392e+01 -3.139673785e+00 -3.139673785e+00 -6.474969513e+01 -6.474969513e+01 1.64 -1.844810692e+01 -1.844810692e+01 -4.746012771e+01 -4.746012771e+01 -2.443563882e+00 -2.443563882e+00 -5.817841449e+01 -5.817841449e+01 1.66 -1.560255360e+01 -1.560255360e+01 -4.093195361e+01 -4.093195361e+01 -1.928894782e+00 -1.928894782e+00 -5.172867104e+01 -5.172867104e+01 1.68 -1.302543289e+01 -1.302543289e+01 -3.477532630e+01 -3.477532630e+01 -1.523661510e+00 -1.523661510e+00 -4.541248103e+01 -4.541248103e+01 1.70 -1.072546616e+01 -1.072546616e+01 -2.901420702e+01 -2.901420702e+01 -1.158037895e+00 -1.158037895e+00 -3.932556970e+01 -3.932556970e+01 1.72 -8.795404643e+00 -8.795404643e+00 -2.362898783e+01 -2.362898783e+01 -8.267904479e-01 -8.267904479e-01 -3.347785739e+01 -3.347785739e+01 1.74 -7.201285519e+00 -7.201285519e+00 -1.867836276e+01 -1.867836276e+01 -6.327588697e-01 -6.327588697e-01 -2.792863138e+01 -2.792863138e+01 1.76 -5.893675041e+00 -5.893675041e+00 -1.416247420e+01 -1.416247420e+01 -5.666946541e-01 -5.666946541e-01 -2.268482003e+01 -2.268482003e+01 1.78 -4.838406047e+00 -4.838406047e+00 -1.001114820e+01 -1.001114820e+01 -5.752245647e-01 -5.752245647e-01 -1.777452545e+01 -1.777452545e+01 1.80 -3.992759473e+00 -3.992759473e+00 -6.629934383e+00 -6.629934383e+00 -6.049602451e-01 -6.049602451e-01 -1.322623261e+01 -1.322623261e+01 1.82 -3.330315008e+00 -3.330315008e+00 -4.237878846e+00 -4.237878846e+00 -6.346112764e-01 -6.346112764e-01 -9.077652851e+00 -9.077652851e+00 1.84 -2.811014424e+00 -2.811014424e+00 -2.608874426e+00 -2.608874426e+00 -6.608553073e-01 -6.608553073e-01 -5.833166800e+00 -5.833166800e+00 1.86 -2.419996735e+00 -2.419996735e+00 -1.554118356e+00 -1.554118356e+00 -6.916730538e-01 -6.916730538e-01 -3.602267848e+00 -3.602267848e+00 1.88 -2.138835026e+00 -2.138835026e+00 -9.316765818e-01 -9.316765818e-01 -7.283461880e-01 -7.283461880e-01 -2.122798236e+00 -2.122798236e+00 1.90 -1.945238312e+00 -1.945238312e+00 -6.213230394e-01 -6.213230394e-01 -7.740292146e-01 -7.740292146e-01 -1.193357463e+00 -1.193357463e+00 1.92 -1.823221874e+00 -1.823221874e+00 -5.274274608e-01 -5.274274608e-01 -8.310951961e-01 -8.310951961e-01 -6.603089408e-01 -6.603089408e-01 1.94 -1.755232566e+00 -1.755232566e+00 -5.813897179e-01 -5.813897179e-01 -9.006409341e-01 -9.006409341e-01 -4.094451393e-01 -4.094451393e-01 1.96 -1.725543453e+00 -1.725543453e+00 -7.350413162e-01 -7.350413162e-01 -9.817414404e-01 -9.817414404e-01 -3.526345831e-01 -3.526345831e-01 1.98 -1.717251636e+00 -1.717251636e+00 -9.526246791e-01 -9.526246791e-01 -1.072747484e+00 -1.072747484e+00 -4.275833823e-01 -4.275833823e-01 2.00 -1.716371565e+00 -1.716371565e+00 -1.205160916e+00 -1.205162202e+00 -1.168307667e+00 -1.168307678e+00 -5.919489206e-01 -5.919489206e-01 2.02 -1.743377928e+00 -1.743377928e+00 -1.468961816e+00 -1.468961816e+00 -1.265344269e+00 -1.265344269e+00 -8.153758851e-01 -8.153758851e-01 2.04 -1.831978138e+00 -1.831978138e+00 -1.741664127e+00 -1.741664127e+00 -1.367458573e+00 -1.367458573e+00 -1.079129748e+00 -1.079129748e+00 2.06 -1.984557232e+00 -1.984557232e+00 -2.012579958e+00 -2.012579958e+00 -1.471568454e+00 -1.471568454e+00 -1.365612873e+00 -1.365612873e+00 2.08 -2.179273244e+00 -2.179273244e+00 -2.278411481e+00 -2.278411481e+00 -1.577229200e+00 -1.577229200e+00 -1.659917315e+00 -1.659917315e+00 2.10 -2.392650416e+00 -2.392650416e+00 -2.536748121e+00 -2.536748121e+00 -1.684058815e+00 -1.684058815e+00 -1.953949340e+00 -1.953949340e+00 2.12 -2.604269638e+00 -2.604269638e+00 -2.786013457e+00 -2.786013457e+00 -1.791923969e+00 -1.791923969e+00 -2.235481914e+00 -2.235481914e+00 2.14 -2.789524811e+00 -2.789524811e+00 -3.010390386e+00 -3.010390386e+00 -1.883399136e+00 -1.883399136e+00 -2.498270444e+00 -2.498270444e+00 2.16 -2.959550670e+00 -2.959550670e+00 -3.224035403e+00 -3.224035403e+00 -1.978664854e+00 -1.978664854e+00 -2.744332517e+00 -2.744332517e+00 2.18 -3.110075921e+00 -3.110075921e+00 -3.417348551e+00 -3.417348551e+00 -2.067918197e+00 -2.067918197e+00 -2.976094097e+00 -2.976094097e+00 2.20 -3.241330549e+00 -3.241330549e+00 -3.585817271e+00 -3.585817271e+00 -2.148724884e+00 -2.148724884e+00 -3.189558565e+00 -3.189558565e+00 2.22 -3.353415609e+00 -3.353415609e+00 -3.726915226e+00 -3.726915226e+00 -2.219106901e+00 -2.219106901e+00 -3.389999689e+00 -3.389999689e+00 2.24 -3.447338057e+00 -3.447338057e+00 -3.842950859e+00 -3.842950859e+00 -2.278860751e+00 -2.278860751e+00 -3.568867823e+00 -3.568867823e+00 2.26 -3.523086954e+00 -3.523086954e+00 -3.937905270e+00 -3.937905270e+00 -2.328250865e+00 -2.328250865e+00 -3.733499059e+00 -3.733499059e+00 2.28 -3.580397767e+00 -3.580397767e+00 -4.015896539e+00 -4.015896539e+00 -2.367927784e+00 -2.367927784e+00 -3.880226699e+00 -3.880226699e+00 2.30 -3.619386829e+00 -3.619386829e+00 -4.080441919e+00 -4.080441919e+00 -2.398930528e+00 -2.398930528e+00 -4.000865024e+00 -4.000865024e+00 2.32 -3.640608738e+00 -3.640608738e+00 -4.135756010e+00 -4.135756010e+00 -2.422540961e+00 -2.422540961e+00 -4.106163133e+00 -4.106163133e+00 2.34 -3.645430398e+00 -3.645430398e+00 -4.168280806e+00 -4.168280806e+00 -2.440094574e+00 -2.440094574e+00 -4.194026182e+00 -4.194026182e+00 2.36 -3.636217794e+00 -3.636217794e+00 -4.204288776e+00 -4.204288776e+00 -2.452806342e+00 -2.452806342e+00 -4.266300901e+00 -4.266300901e+00 2.38 -3.616114007e+00 -3.616114007e+00 -4.238327285e+00 -4.238327285e+00 -2.461626405e+00 -2.461626405e+00 -4.324635848e+00 -4.324635848e+00 2.40 -3.588596139e+00 -3.588596139e+00 -4.253355475e+00 -4.253355475e+00 -2.460545707e+00 -2.460545707e+00 -4.370317877e+00 -4.370317877e+00 2.42 -3.557024328e+00 -3.557024328e+00 -4.273394627e+00 -4.273394627e+00 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