# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1 # composition = AuCo2Pb # 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 2024-04-11 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 nan nan 0.94 nan nan 0.96 nan nan 0.98 nan nan 1.00 nan nan 1.02 nan nan 1.04 nan nan 1.06 nan nan 1.08 nan nan 1.10 nan nan 1.12 nan nan 1.14 nan nan 1.16 nan nan 1.18 nan nan 1.20 nan nan 1.22 nan nan 1.24 nan nan 1.26 nan nan 1.28 2.697670510e+02 2.697670510e+02 1.30 2.501980622e+02 2.501980622e+02 1.32 2.320710685e+02 2.320710685e+02 1.34 2.152699102e+02 2.152699102e+02 1.36 1.996881771e+02 1.996881771e+02 1.38 1.852282677e+02 1.852282677e+02 1.40 1.718012519e+02 1.718012519e+02 1.42 1.593268007e+02 1.593268007e+02 1.44 1.477326795e+02 1.477326795e+02 1.46 1.369538006e+02 1.369538006e+02 1.48 1.269308092e+02 1.269308092e+02 1.50 1.176085286e+02 1.176085286e+02 1.52 1.089350546e+02 1.089350546e+02 1.54 1.008617697e+02 1.008617697e+02 1.56 9.334362592e+01 9.334362592e+01 1.58 8.633922113e+01 8.633922113e+01 1.60 7.981062128e+01 7.981062128e+01 1.62 7.372314440e+01 7.372314440e+01 1.64 6.804514807e+01 6.804514807e+01 1.66 6.274777819e+01 6.274777819e+01 1.68 5.780642887e+01 5.780642887e+01 1.70 5.320856915e+01 5.320856915e+01 1.72 4.893937291e+01 4.893937291e+01 1.74 4.497654151e+01 4.497654151e+01 1.76 4.129772103e+01 4.129772103e+01 1.78 3.788224484e+01 3.788224484e+01 1.80 3.471106308e+01 3.471106308e+01 1.82 3.176665036e+01 3.176665036e+01 1.84 2.903290005e+01 2.903290005e+01 1.86 2.649501234e+01 2.649501234e+01 1.88 2.413938091e+01 2.413938091e+01 1.90 2.195346683e+01 2.195346683e+01 1.92 1.992566802e+01 1.992566802e+01 1.94 1.804522132e+01 1.804522132e+01 1.96 1.630211012e+01 1.630211012e+01 1.98 1.468697242e+01 1.468697242e+01 2.00 1.319099657e+01 1.319099657e+01 2.02 1.180584149e+01 1.180584149e+01 2.04 1.052361576e+01 1.052361576e+01 2.06 9.336909882e+00 9.336909882e+00 2.08 8.238840449e+00 8.238840449e+00 2.10 7.223063221e+00 7.223063221e+00 2.12 6.283754223e+00 6.283754223e+00 2.14 5.415561695e+00 5.415561695e+00 2.16 4.613554050e+00 4.613554050e+00 2.18 3.873174979e+00 3.873174979e+00 2.20 3.190206808e+00 3.190206808e+00 2.22 2.560742340e+00 2.560742340e+00 2.24 1.981158131e+00 1.981158131e+00 2.26 1.448088473e+00 1.448088473e+00 2.28 9.584004650e-01 9.584004650e-01 2.30 5.091704696e-01 5.091704696e-01 2.32 9.766031921e-02 9.766031921e-02 2.34 -2.786967332e-01 -2.786967332e-01 2.36 -6.223146961e-01 -6.223146961e-01 2.38 -9.354660230e-01 -9.354660230e-01 2.40 -1.220290692e+00 -1.220290692e+00 2.42 -1.478802460e+00 -1.478802460e+00 2.44 -1.712893173e+00 -1.712893173e+00 2.46 -1.924335384e+00 -1.924335384e+00 2.48 -2.114784631e+00 -2.114784631e+00 2.50 -2.285782594e+00 -2.285782594e+00 2.52 -2.438763275e+00 -2.438763275e+00 2.54 -2.575134718e+00 -2.575134718e+00 2.56 -2.696146126e+00 -2.696146126e+00 2.58 -2.802893315e+00 -2.802893315e+00 2.60 -2.896441302e+00 -2.896441302e+00 2.62 -2.977820749e+00 -2.977820749e+00 2.64 -3.048089042e+00 -3.048089042e+00 2.66 -3.108129197e+00 -3.108129197e+00 2.68 -3.158692807e+00 -3.158692807e+00 2.70 -3.200442205e+00 -3.200442205e+00 2.72 -3.233880223e+00 -3.233880223e+00 2.74 -3.259462130e+00 -3.259462130e+00 2.76 -3.277628505e+00 -3.277628505e+00 2.78 -3.288807456e+00 -3.288807456e+00 2.80 -3.293412619e+00 -3.293412619e+00 2.82 -3.291841713e+00 -3.291841713e+00 2.84 -3.284482809e+00 -3.284482809e+00 2.86 -3.271713139e+00 -3.271713139e+00 2.88 -3.253898314e+00 -3.253898314e+00 2.90 -3.231392801e+00 -3.231392801e+00 2.92 -3.204542053e+00 -3.204542053e+00 2.94 -3.173686361e+00 -3.173686361e+00 2.96 -3.139166046e+00 -3.139166046e+00 2.98 -3.101327008e+00 -3.101327008e+00 3.00 -3.060525020e+00 -3.060525020e+00 3.02 -3.017126858e+00 -3.017126858e+00 3.04 -2.971506096e+00 -2.971506096e+00 3.06 -2.924053771e+00 -2.924053771e+00 3.08 -2.875149157e+00 -2.875149157e+00 3.10 -2.825085203e+00 -2.825085203e+00 3.12 -2.774124974e+00 -2.774124974e+00 3.14 -2.722500497e+00 -2.722500497e+00 3.16 -2.670406943e+00 -2.670406943e+00 3.18 -2.618008498e+00 -2.618008498e+00 3.20 -2.565442523e+00 -2.565442523e+00 3.22 -2.512822280e+00 -2.512822280e+00 3.24 -2.460234189e+00 -2.460234189e+00 3.26 -2.407751386e+00 -2.407751386e+00 3.28 -2.355439031e+00 -2.355439031e+00 3.30 -2.303355731e+00 -2.303355731e+00 3.32 -2.251554811e+00 -2.251554811e+00 3.34 -2.200085466e+00 -2.200085466e+00 3.36 -2.148993760e+00 -2.148993760e+00 3.38 -2.098323377e+00 -2.098323377e+00 3.40 -2.048115901e+00 -2.048115901e+00 3.42 -1.998411697e+00 -1.998411697e+00 3.44 -1.949248613e+00 -1.949248613e+00 3.46 -1.900662483e+00 -1.900662483e+00 3.48 -1.852686485e+00 -1.852686485e+00 3.50 -1.805350695e+00 -1.805350695e+00 3.52 -1.758681708e+00 -1.758681708e+00 3.54 -1.712702384e+00 -1.712702384e+00 3.56 -1.667431766e+00 -1.667431766e+00 3.58 -1.622885207e+00 -1.622885207e+00 3.60 -1.579074712e+00 -1.579074712e+00 3.62 -1.536009482e+00 -1.536009482e+00 3.64 -1.493696615e+00 -1.493696615e+00 3.66 -1.452141888e+00 -1.452141888e+00 3.68 -1.411350518e+00 -1.411350518e+00 3.70 -1.371327791e+00 -1.371327791e+00 3.72 -1.332079438e+00 -1.332079438e+00 3.74 -1.293611708e+00 -1.293611708e+00 3.76 -1.255931105e+00 -1.255931105e+00 3.78 -1.219043850e+00 -1.219043850e+00 3.80 -1.182955169e+00 -1.182955169e+00 3.82 -1.147668563e+00 -1.147668563e+00 3.84 -1.113185155e+00 -1.113185155e+00 3.86 -1.079503241e+00 -1.079503241e+00 3.88 -1.046618054e+00 -1.046618054e+00 3.90 -1.014521759e+00 -1.014521759e+00 3.92 -9.832032407e-01 -9.832032407e-01 3.94 -9.526498922e-01 -9.526498922e-01 3.96 -9.228455576e-01 -9.228455576e-01 3.98 -8.937725695e-01 -8.937725695e-01 4.00 -8.654116696e-01 -8.654116696e-01 4.02 -8.377423886e-01 -8.377423886e-01 4.04 -8.107434542e-01 -8.107434542e-01 4.06 -7.843932513e-01 -7.843932513e-01 4.08 -7.586703562e-01 -7.586703562e-01 4.10 -7.335532004e-01 -7.335532004e-01 4.12 -7.090248298e-01 -7.090248298e-01 4.14 -6.850673659e-01 -6.850673659e-01 4.16 -6.616673171e-01 -6.616673171e-01 4.18 -6.388152263e-01 -6.388152263e-01 4.20 -6.165063725e-01 -6.165063725e-01 4.22 -5.947412224e-01 -5.947412224e-01 4.24 -5.735255009e-01 -5.735255009e-01 4.26 -5.528697686e-01 -5.528697686e-01 4.28 -5.327884512e-01 -5.327884512e-01 4.30 -5.132983419e-01 -5.132983419e-01 4.32 -4.944167021e-01 -4.944167021e-01 4.34 -4.761591682e-01 -4.761591682e-01 4.36 -4.585377276e-01 -4.585377276e-01 4.38 -4.415590241e-01 -4.415590241e-01 4.40 -4.252231926e-01 -4.252231926e-01 4.42 -4.095233274e-01 -4.095233274e-01 4.44 -3.944455781e-01 -3.944455781e-01 4.46 -3.799697733e-01 -3.799697733e-01 4.48 -3.660704155e-01 -3.660704155e-01 4.50 -3.527178743e-01 -3.527178743e-01 4.52 -3.398796202e-01 -3.398796202e-01 4.54 -3.275213785e-01 -3.275213785e-01 4.56 -3.156081308e-01 -3.156081308e-01 4.58 -3.041049298e-01 -3.041049298e-01 4.60 -2.929775301e-01 -2.929775301e-01 4.62 -2.821928592e-01 -2.821928592e-01 4.64 -2.717193660e-01 -2.717193660e-01 4.66 -2.615272893e-01 -2.615272893e-01 4.68 -2.515888882e-01 -2.515888882e-01 4.70 -2.418786714e-01 -2.418786714e-01 4.72 -2.323736533e-01 -2.323736533e-01 4.74 -2.230536572e-01 -2.230536572e-01 4.76 -2.139016726e-01 -2.139016726e-01 4.78 -2.049042599e-01 -2.049042599e-01 4.80 -1.960512020e-01 -1.960512020e-01 4.82 -1.873391518e-01 -1.873391518e-01 4.84 -1.787669265e-01 -1.787669265e-01 4.86 -1.703392403e-01 -1.703392403e-01 4.88 -1.620657846e-01 -1.620657846e-01 4.90 -1.539609563e-01 -1.539609563e-01 4.92 -1.460432709e-01 -1.460432709e-01 4.94 -1.383344426e-01 -1.383344426e-01 4.96 -1.308581661e-01 -1.308581661e-01 4.98 -1.236386796e-01 -1.236386796e-01 5.00 -1.166992289e-01 -1.166992289e-01 5.02 -1.100605853e-01 -1.100605853e-01 5.04 -1.037397642e-01 -1.037397642e-01 5.06 -9.774906478e-02 -9.774906478e-02 5.08 -9.209518247e-02 -9.209518247e-02 5.10 -8.677943079e-02 -8.677943079e-02 5.12 -8.179871620e-02 -8.179871620e-02 5.14 -7.714518816e-02 -7.714518816e-02 5.16 -7.280705738e-02 -7.280705738e-02 5.18 -6.876953844e-02 -6.876953844e-02 5.20 -6.501579618e-02 -6.501579618e-02 5.22 -6.152781941e-02 -6.152781941e-02 5.24 -5.828716911e-02 -5.828716911e-02 5.26 -5.527557452e-02 -5.527557452e-02 5.28 -5.247537162e-02 -5.247537162e-02 5.30 -4.986978647e-02 -4.986978647e-02 5.32 -4.744298843e-02 -4.744298843e-02 5.34 -4.518042531e-02 -4.518042531e-02 5.36 -4.306870446e-02 -4.306870446e-02 5.38 -4.109546841e-02 -4.109546841e-02 5.40 -3.924931677e-02 -3.924931677e-02 5.42 -3.751971787e-02 -3.751971787e-02 5.44 -3.589692206e-02 -3.589692206e-02 5.46 -3.437188400e-02 -3.437188400e-02 5.48 -3.293619707e-02 -3.293619707e-02 5.50 -3.158204032e-02 -3.158204032e-02 5.52 -3.030213656e-02 -3.030213656e-02 5.54 -2.908971923e-02 -2.908971923e-02 5.56 -2.793850534e-02 -2.793850534e-02 5.58 -2.684267237e-02 -2.684267237e-02 5.60 -2.579683728e-02 -2.579683728e-02 5.62 -2.479603649e-02 -2.479603649e-02 5.64 -2.383570613e-02 -2.383570613e-02 5.66 -2.291166270e-02 -2.291166270e-02 5.68 -2.202008431e-02 -2.202008431e-02 5.70 -2.115749291e-02 -2.115749291e-02 5.72 -2.032073796e-02 -2.032073796e-02 5.74 -1.950698231e-02 -1.950698231e-02 5.76 -1.871369044e-02 -1.871369044e-02 5.78 -1.793861960e-02 -1.793861960e-02 5.80 -1.717981375e-02 -1.717981375e-02 5.82 -1.643560028e-02 -1.643560028e-02 5.84 -1.570458922e-02 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