# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2018--Choi-W-M-Jo-Y-H-Sohn-S-S-et-al--Co-Ni-Cr-Fe-Mn # implementation = 2018--Choi-W-M--Co-Ni-Cr-Fe-Mn--LAMMPS--ipr1 # composition = Co2FeNi # 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 L2_1--AlCu2Mn--h L2_1--AlCu2Mn--h 0.50 nan nan 0.52 nan nan 0.54 nan nan 0.56 nan nan 0.58 nan nan 0.60 nan nan 0.62 nan nan 0.64 nan nan 0.66 nan nan 0.68 nan nan 0.70 nan nan 0.72 nan nan 0.74 nan nan 0.76 nan nan 0.78 nan nan 0.80 nan nan 0.82 nan nan 0.84 nan nan 0.86 nan nan 0.88 nan nan 0.90 nan nan 0.92 4.436396134e+02 4.436396134e+02 0.94 4.142673115e+02 4.142673115e+02 0.96 3.867147607e+02 3.867147607e+02 0.98 3.608734513e+02 3.608734513e+02 1.00 3.366412210e+02 3.366412210e+02 1.02 3.139218791e+02 3.139218791e+02 1.04 2.926248553e+02 2.926248553e+02 1.06 2.726648694e+02 2.726648694e+02 1.08 2.539616226e+02 2.539616226e+02 1.10 2.364395068e+02 2.364395068e+02 1.12 2.200273326e+02 2.200273326e+02 1.14 2.046580731e+02 2.046580731e+02 1.16 1.902686236e+02 1.902686236e+02 1.18 1.767995751e+02 1.767995751e+02 1.20 1.641950016e+02 1.641950016e+02 1.22 1.524022597e+02 1.524022597e+02 1.24 1.413718002e+02 1.413718002e+02 1.26 1.310569898e+02 1.310569898e+02 1.28 1.214139443e+02 1.214139443e+02 1.30 1.124013701e+02 1.124013701e+02 1.32 1.039804161e+02 1.039804161e+02 1.34 9.611453240e+01 9.611453240e+01 1.36 8.876933889e+01 8.876933889e+01 1.38 8.191249969e+01 8.191249969e+01 1.40 7.551360561e+01 7.551360561e+01 1.42 6.954406296e+01 6.954406296e+01 1.44 6.397698866e+01 6.397698866e+01 1.46 5.878711124e+01 5.878711124e+01 1.48 5.395067750e+01 5.395067750e+01 1.50 4.944536439e+01 4.944536439e+01 1.52 4.525019583e+01 4.525019583e+01 1.54 4.134546430e+01 4.134546430e+01 1.56 3.771265679e+01 3.771265679e+01 1.58 3.433438502e+01 3.433438502e+01 1.60 3.119431950e+01 3.119431950e+01 1.62 2.827712745e+01 2.827712745e+01 1.64 2.556841418e+01 2.556841418e+01 1.66 2.305466779e+01 2.305466779e+01 1.68 2.072320707e+01 2.072320707e+01 1.70 1.856213236e+01 1.856213236e+01 1.72 1.656027919e+01 1.656027919e+01 1.74 1.470717460e+01 1.470717460e+01 1.76 1.299299600e+01 1.299299600e+01 1.78 1.140853232e+01 1.140853232e+01 1.80 9.945147466e+00 9.945147466e+00 1.82 8.594745863e+00 8.594745863e+00 1.84 7.349739983e+00 7.349739983e+00 1.86 6.203019768e+00 6.203019768e+00 1.88 5.147923828e+00 5.147923828e+00 1.90 4.178212317e+00 4.178212317e+00 1.92 3.288041387e+00 3.288041387e+00 1.94 2.471939140e+00 2.471939140e+00 1.96 1.724782990e+00 1.724782990e+00 1.98 1.041778350e+00 1.041778350e+00 2.00 4.184385768e-01 4.184385768e-01 2.02 -1.494338989e-01 -1.494338989e-01 2.04 -6.657653356e-01 -6.657653356e-01 2.06 -1.134227384e+00 -1.134227384e+00 2.08 -1.558252800e+00 -1.558252800e+00 2.10 -1.941050229e+00 -1.941050229e+00 2.12 -2.285618101e+00 -2.285618101e+00 2.14 -2.594757702e+00 -2.594757702e+00 2.16 -2.871085456e+00 -2.871085456e+00 2.18 -3.117044481e+00 -3.117044481e+00 2.20 -3.334915437e+00 -3.334915437e+00 2.22 -3.526826734e+00 -3.526826734e+00 2.24 -3.694764112e+00 -3.694764112e+00 2.26 -3.840579648e+00 -3.840579648e+00 2.28 -3.966000215e+00 -3.966000215e+00 2.30 -4.072635431e+00 -4.072635431e+00 2.32 -4.161985113e+00 -4.161985113e+00 2.34 -4.235446291e+00 -4.235446291e+00 2.36 -4.294319778e+00 -4.294319778e+00 2.38 -4.339816352e+00 -4.339816352e+00 2.40 -4.373062543e+00 -4.373062543e+00 2.42 -4.395106079e+00 -4.395106079e+00 2.44 -4.406920983e+00 -4.406920983e+00 2.46 -4.409412359e+00 -4.409412359e+00 2.48 -4.403420890e+00 -4.403420890e+00 2.50 -4.389727041e+00 -4.389727041e+00 2.52 -4.369055009e+00 -4.369055009e+00 2.54 -4.342076431e+00 -4.342076431e+00 2.56 -4.309413848e+00 -4.309413848e+00 2.58 -4.271643962e+00 -4.271643962e+00 2.60 -4.229300683e+00 -4.229300683e+00 2.62 -4.182877984e+00 -4.182877984e+00 2.64 -4.132832581e+00 -4.132832581e+00 2.66 -4.079586433e+00 -4.079586433e+00 2.68 -4.023529095e+00 -4.023529095e+00 2.70 -3.965019690e+00 -3.965019690e+00 2.72 -3.904295759e+00 -3.904295759e+00 2.74 -3.841147175e+00 -3.841147175e+00 2.76 -3.776467784e+00 -3.776467784e+00 2.78 -3.711249869e+00 -3.711249869e+00 2.80 -3.644990785e+00 -3.644990785e+00 2.82 -3.577907458e+00 -3.577907458e+00 2.84 -3.510198513e+00 -3.510198513e+00 2.86 -3.442045559e+00 -3.442045559e+00 2.88 -3.373614396e+00 -3.373614396e+00 2.90 -3.305056143e+00 -3.305056143e+00 2.92 -3.236508286e+00 -3.236508286e+00 2.94 -3.168095667e+00 -3.168095667e+00 2.96 -3.099931396e+00 -3.099931396e+00 2.98 -3.032117710e+00 -3.032117710e+00 3.00 -2.964746776e+00 -2.964746776e+00 3.02 -2.897901434e+00 -2.897901434e+00 3.04 -2.831655893e+00 -2.831655893e+00 3.06 -2.766076384e+00 -2.766076384e+00 3.08 -2.701221764e+00 -2.701221764e+00 3.10 -2.637144079e+00 -2.637144079e+00 3.12 -2.573889095e+00 -2.573889095e+00 3.14 -2.511496784e+00 -2.511496784e+00 3.16 -2.450001780e+00 -2.450001780e+00 3.18 -2.389433811e+00 -2.389433811e+00 3.20 -2.329818086e+00 -2.329818086e+00 3.22 -2.271175670e+00 -2.271175670e+00 3.24 -2.213523824e+00 -2.213523824e+00 3.26 -2.156876324e+00 -2.156876324e+00 3.28 -2.101243757e+00 -2.101243757e+00 3.30 -2.046633797e+00 -2.046633797e+00 3.32 -1.993051460e+00 -1.993051460e+00 3.34 -1.940499340e+00 -1.940499340e+00 3.36 -1.888977834e+00 -1.888977834e+00 3.38 -1.838485340e+00 -1.838485340e+00 3.40 -1.789018453e+00 -1.789018453e+00 3.42 -1.740572134e+00 -1.740572134e+00 3.44 -1.693139881e+00 -1.693139881e+00 3.46 -1.646713870e+00 -1.646713870e+00 3.48 -1.601285103e+00 -1.601285103e+00 3.50 -1.556843534e+00 -1.556843534e+00 3.52 -1.513378186e+00 -1.513378186e+00 3.54 -1.470877265e+00 -1.470877265e+00 3.56 -1.429328259e+00 -1.429328259e+00 3.58 -1.388718035e+00 -1.388718035e+00 3.60 -1.349032922e+00 -1.349032922e+00 3.62 -1.310258795e+00 -1.310258795e+00 3.64 -1.272381145e+00 -1.272381145e+00 3.66 -1.235385148e+00 -1.235385148e+00 3.68 -1.199255729e+00 -1.199255729e+00 3.70 -1.163977617e+00 -1.163977617e+00 3.72 -1.129535397e+00 -1.129535397e+00 3.74 -1.095913562e+00 -1.095913562e+00 3.76 -1.063096552e+00 -1.063096552e+00 3.78 -1.031068799e+00 -1.031068799e+00 3.80 -9.998147589e-01 -9.998147589e-01 3.82 -9.693176142e-01 -9.693176142e-01 3.84 -9.395259426e-01 -9.395259426e-01 3.86 -9.103865186e-01 -9.103865186e-01 3.88 -8.791237884e-01 -8.791237884e-01 3.90 -8.474921362e-01 -8.474921362e-01 3.92 -8.242548919e-01 -8.242548919e-01 3.94 -8.015941063e-01 -8.015941063e-01 3.96 -7.794965639e-01 -7.794965639e-01 3.98 -7.579491941e-01 -7.579491941e-01 4.00 -7.369390816e-01 -7.369390816e-01 4.02 -7.164534751e-01 -7.164534751e-01 4.04 -6.964797949e-01 -6.964797949e-01 4.06 -6.770056398e-01 -6.770056398e-01 4.08 -6.580187925e-01 -6.580187925e-01 4.10 -6.395072247e-01 -6.395072247e-01 4.12 -6.214591011e-01 -6.214591011e-01 4.14 -6.038627826e-01 -6.038627826e-01 4.16 -5.867068293e-01 -5.867068293e-01 4.18 -5.699800019e-01 -5.699800019e-01 4.20 -5.536712641e-01 -5.536712641e-01 4.22 -5.377697828e-01 -5.377697828e-01 4.24 -5.222649291e-01 -5.222649291e-01 4.26 -5.071462782e-01 -5.071462782e-01 4.28 -4.924036094e-01 -4.924036094e-01 4.30 -4.780269052e-01 -4.780269052e-01 4.32 -4.640063508e-01 -4.640063508e-01 4.34 -4.503323327e-01 -4.503323327e-01 4.36 -4.369954376e-01 -4.369954376e-01 4.38 -4.239864506e-01 -4.239864506e-01 4.40 -4.112963536e-01 -4.112963536e-01 4.42 -3.982260214e-01 -3.982260214e-01 4.44 -3.760667770e-01 -3.760667770e-01 4.46 -3.206171346e-01 -3.206171346e-01 4.48 -1.886968658e-01 -1.886968658e-01 4.50 -3.008413473e-22 -3.009739795e-22 4.52 0.000000000e+00 0.000000000e+00 4.54 0.000000000e+00 0.000000000e+00 4.56 0.000000000e+00 0.000000000e+00 4.58 0.000000000e+00 0.000000000e+00 4.60 0.000000000e+00 0.000000000e+00 4.62 0.000000000e+00 0.000000000e+00 4.64 0.000000000e+00 0.000000000e+00 4.66 0.000000000e+00 0.000000000e+00 4.68 0.000000000e+00 0.000000000e+00 4.70 0.000000000e+00 0.000000000e+00 4.72 0.000000000e+00 0.000000000e+00 4.74 0.000000000e+00 0.000000000e+00 4.76 0.000000000e+00 0.000000000e+00 4.78 0.000000000e+00 0.000000000e+00 4.80 0.000000000e+00 0.000000000e+00 4.82 0.000000000e+00 0.000000000e+00 4.84 0.000000000e+00 0.000000000e+00 4.86 0.000000000e+00 0.000000000e+00 4.88 0.000000000e+00 0.000000000e+00 4.90 0.000000000e+00 0.000000000e+00 4.92 0.000000000e+00 0.000000000e+00 4.94 0.000000000e+00 0.000000000e+00 4.96 0.000000000e+00 0.000000000e+00 4.98 0.000000000e+00 0.000000000e+00 5.00 0.000000000e+00 0.000000000e+00 5.02 0.000000000e+00 0.000000000e+00 5.04 0.000000000e+00 0.000000000e+00 5.06 0.000000000e+00 0.000000000e+00 5.08 0.000000000e+00 0.000000000e+00 5.10 0.000000000e+00 0.000000000e+00 5.12 0.000000000e+00 0.000000000e+00 5.14 0.000000000e+00 0.000000000e+00 5.16 0.000000000e+00 0.000000000e+00 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