# 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 = CoFeZr2 # 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 2.653362531e+02 2.653362531e+02 1.30 2.449251188e+02 2.449251188e+02 1.32 2.260686287e+02 2.260686287e+02 1.34 2.086375483e+02 2.086375483e+02 1.36 1.925156404e+02 1.925156404e+02 1.38 1.775987362e+02 1.775987362e+02 1.40 1.637932728e+02 1.637932728e+02 1.42 1.510141820e+02 1.510141820e+02 1.44 1.391831197e+02 1.391831197e+02 1.46 1.282280981e+02 1.282280981e+02 1.48 1.180839473e+02 1.180839473e+02 1.50 1.086919291e+02 1.086919291e+02 1.52 9.999813406e+01 9.999813406e+01 1.54 9.195174572e+01 9.195174572e+01 1.56 8.450433515e+01 8.450433515e+01 1.58 7.761025822e+01 7.761025822e+01 1.60 7.122719975e+01 7.122719975e+01 1.62 6.531620839e+01 6.531620839e+01 1.64 5.984132307e+01 5.984132307e+01 1.66 5.476919145e+01 5.476919145e+01 1.68 5.006890362e+01 5.006890362e+01 1.70 4.571209483e+01 4.571209483e+01 1.72 4.167294295e+01 4.167294295e+01 1.74 3.792800665e+01 3.792800665e+01 1.76 3.445590977e+01 3.445590977e+01 1.78 3.123705532e+01 3.123705532e+01 1.80 2.825334441e+01 2.825334441e+01 1.82 2.548795980e+01 2.548795980e+01 1.84 2.292507551e+01 2.292507551e+01 1.86 2.054980578e+01 2.054980578e+01 1.88 1.834848975e+01 1.834848975e+01 1.90 1.630940207e+01 1.630940207e+01 1.92 1.442111170e+01 1.442111170e+01 1.94 1.267316217e+01 1.267316217e+01 1.96 1.105630346e+01 1.105630346e+01 1.98 9.561547221e+00 9.561547221e+00 2.00 8.180340946e+00 8.180340946e+00 2.02 6.904647122e+00 6.904647122e+00 2.04 5.726933073e+00 5.726933073e+00 2.06 4.640152431e+00 4.640152431e+00 2.08 3.637705639e+00 3.637705639e+00 2.10 2.713406580e+00 2.713406580e+00 2.12 1.861479722e+00 1.861479722e+00 2.14 1.076571555e+00 1.076571555e+00 2.16 3.537890940e-01 3.537890940e-01 2.18 -3.113034600e-01 -3.113034600e-01 2.20 -9.227190670e-01 -9.227190670e-01 2.22 -1.484137220e+00 -1.484137220e+00 2.24 -1.998975976e+00 -1.998975976e+00 2.26 -2.470428436e+00 -2.470428436e+00 2.28 -2.901479539e+00 -2.901479539e+00 2.30 -3.294866797e+00 -3.294866797e+00 2.32 -3.653118499e+00 -3.653118499e+00 2.34 -3.978529053e+00 -3.978529053e+00 2.36 -4.273222986e+00 -4.273222986e+00 2.38 -4.539188909e+00 -4.539188909e+00 2.40 -4.778319221e+00 -4.778319221e+00 2.42 -4.992450706e+00 -4.992450706e+00 2.44 -5.183380553e+00 -5.183380553e+00 2.46 -5.352882749e+00 -5.352882749e+00 2.48 -5.502698301e+00 -5.502698301e+00 2.50 -5.634511713e+00 -5.634511713e+00 2.52 -5.749919348e+00 -5.749919348e+00 2.54 -5.850398999e+00 -5.850398999e+00 2.56 -5.937288285e+00 -5.937288285e+00 2.58 -6.011775984e+00 -6.011775984e+00 2.60 -6.074906243e+00 -6.074906243e+00 2.62 -6.127588190e+00 -6.127588190e+00 2.64 -6.170653650e+00 -6.170653650e+00 2.66 -6.204919170e+00 -6.204919170e+00 2.68 -6.230894041e+00 -6.230894041e+00 2.70 -6.249018273e+00 -6.249018273e+00 2.72 -6.259714448e+00 -6.259714448e+00 2.74 -6.263388926e+00 -6.263388926e+00 2.76 -6.260430530e+00 -6.260430530e+00 2.78 -6.251204769e+00 -6.251204769e+00 2.80 -6.236043937e+00 -6.236043937e+00 2.82 -6.215023338e+00 -6.215023338e+00 2.84 -6.188112591e+00 -6.188112591e+00 2.86 -6.155341229e+00 -6.155341229e+00 2.88 -6.116795175e+00 -6.116795175e+00 2.90 -6.072632465e+00 -6.072632465e+00 2.92 -6.023053843e+00 -6.023053843e+00 2.94 -5.968251868e+00 -5.968251868e+00 2.96 -5.908463833e+00 -5.908463833e+00 2.98 -5.843965056e+00 -5.843965056e+00 3.00 -5.775060014e+00 -5.775060014e+00 3.02 -5.702073169e+00 -5.702073169e+00 3.04 -5.625335314e+00 -5.625335314e+00 3.06 -5.545196093e+00 -5.545196093e+00 3.08 -5.461981835e+00 -5.461981835e+00 3.10 -5.375987977e+00 -5.375987977e+00 3.12 -5.287495325e+00 -5.287495325e+00 3.14 -5.196804083e+00 -5.196804083e+00 3.16 -5.104207567e+00 -5.104207567e+00 3.18 -5.010015626e+00 -5.010015626e+00 3.20 -4.914550800e+00 -4.914550800e+00 3.22 -4.818147639e+00 -4.818147639e+00 3.24 -4.721151203e+00 -4.721151203e+00 3.26 -4.623914781e+00 -4.623914781e+00 3.28 -4.526796226e+00 -4.526796226e+00 3.30 -4.430151709e+00 -4.430151709e+00 3.32 -4.334297700e+00 -4.334297700e+00 3.34 -4.239471417e+00 -4.239471417e+00 3.36 -4.145883637e+00 -4.145883637e+00 3.38 -4.053715652e+00 -4.053715652e+00 3.40 -3.963107935e+00 -3.963107935e+00 3.42 -3.874163972e+00 -3.874163972e+00 3.44 -3.786937959e+00 -3.786937959e+00 3.46 -3.701448647e+00 -3.701448647e+00 3.48 -3.617683713e+00 -3.617683713e+00 3.50 -3.535607242e+00 -3.535607242e+00 3.52 -3.455166686e+00 -3.455166686e+00 3.54 -3.376298675e+00 -3.376298675e+00 3.56 -3.298933487e+00 -3.298933487e+00 3.58 -3.222998297e+00 -3.222998297e+00 3.60 -3.148419472e+00 -3.148419472e+00 3.62 -3.075124231e+00 -3.075124231e+00 3.64 -3.003041979e+00 -3.003041979e+00 3.66 -2.932105607e+00 -2.932105607e+00 3.68 -2.862252947e+00 -2.862252947e+00 3.70 -2.793428543e+00 -2.793428543e+00 3.72 -2.725585777e+00 -2.725585777e+00 3.74 -2.658689305e+00 -2.658689305e+00 3.76 -2.592717627e+00 -2.592717627e+00 3.78 -2.527665472e+00 -2.527665472e+00 3.80 -2.463545572e+00 -2.463545572e+00 3.82 -2.400389279e+00 -2.400389279e+00 3.84 -2.338245522e+00 -2.338245522e+00 3.86 -2.277177741e+00 -2.277177741e+00 3.88 -2.217258791e+00 -2.217258791e+00 3.90 -2.158564242e+00 -2.158564242e+00 3.92 -2.101161342e+00 -2.101161342e+00 3.94 -2.045117312e+00 -2.045117312e+00 3.96 -1.990469805e+00 -1.990469805e+00 3.98 -1.937240875e+00 -1.937240875e+00 4.00 -1.885431936e+00 -1.885431936e+00 4.02 -1.835025542e+00 -1.835025542e+00 4.04 -1.785988782e+00 -1.785988782e+00 4.06 -1.738277484e+00 -1.738277484e+00 4.08 -1.691840523e+00 -1.691840523e+00 4.10 -1.646616389e+00 -1.646616389e+00 4.12 -1.602567008e+00 -1.602567008e+00 4.14 -1.559631869e+00 -1.559631869e+00 4.16 -1.517763655e+00 -1.517763655e+00 4.18 -1.476920248e+00 -1.476920248e+00 4.20 -1.437065241e+00 -1.437065241e+00 4.22 -1.398168027e+00 -1.398168027e+00 4.24 -1.360203537e+00 -1.360203537e+00 4.26 -1.323151683e+00 -1.323151683e+00 4.28 -1.286996554e+00 -1.286996554e+00 4.30 -1.251725413e+00 -1.251725413e+00 4.32 -1.217327578e+00 -1.217327578e+00 4.34 -1.183793281e+00 -1.183793281e+00 4.36 -1.151112623e+00 -1.151112623e+00 4.38 -1.119274706e+00 -1.119274706e+00 4.40 -1.088267039e+00 -1.088267039e+00 4.42 -1.058075221e+00 -1.058075221e+00 4.44 -1.028682891e+00 -1.028682891e+00 4.46 -1.000071894e+00 -1.000071894e+00 4.48 -9.722225904e-01 -9.722225904e-01 4.50 -9.451142243e-01 -9.451142243e-01 4.52 -9.187253081e-01 -9.187253081e-01 4.54 -8.930339660e-01 -8.930339660e-01 4.56 -8.680182200e-01 -8.680182200e-01 4.58 -8.436562131e-01 -8.436562131e-01 4.60 -8.199263723e-01 -8.199263723e-01 4.62 -7.968075262e-01 -7.968075262e-01 4.64 -7.742789918e-01 -7.742789918e-01 4.66 -7.523206464e-01 -7.523206464e-01 4.68 -7.309129994e-01 -7.309129994e-01 4.70 -7.100372755e-01 -7.100372755e-01 4.72 -6.896755184e-01 -6.896755184e-01 4.74 -6.698107199e-01 -6.698107199e-01 4.76 -6.504269751e-01 -6.504269751e-01 4.78 -6.315096587e-01 -6.315096587e-01 4.80 -6.130394343e-01 -6.130394343e-01 4.82 -5.950181895e-01 -5.950181895e-01 4.84 -5.774287986e-01 -5.774287986e-01 4.86 -5.602634556e-01 -5.602634556e-01 4.88 -5.435162276e-01 -5.435162276e-01 4.90 -5.271829354e-01 -5.271829354e-01 4.92 -5.112608969e-01 -5.112608969e-01 4.94 -4.957485308e-01 -4.957485308e-01 4.96 -4.806448380e-01 -4.806448380e-01 4.98 -4.659487987e-01 -4.659487987e-01 5.00 -4.516587416e-01 -4.516587416e-01 5.02 -4.377717495e-01 -4.377717495e-01 5.04 -4.242831676e-01 -4.242831676e-01 5.06 -4.111862628e-01 -4.111862628e-01 5.08 -3.984720659e-01 -3.984720659e-01 5.10 -3.861294012e-01 -3.861294012e-01 5.12 -3.741450860e-01 -3.741450860e-01 5.14 -3.625042660e-01 -3.625042660e-01 5.16 -3.511908454e-01 -3.511908454e-01 5.18 -3.401879714e-01 -3.401879714e-01 5.20 -3.294785354e-01 -3.294785354e-01 5.22 -3.190456678e-01 -3.190456678e-01 5.24 -3.088732077e-01 -3.088732077e-01 5.26 -2.989461387e-01 -2.989461387e-01 5.28 -2.892509856e-01 -2.892509856e-01 5.30 -2.797761676e-01 -2.797761676e-01 5.32 -2.705122998e-01 -2.705122998e-01 5.34 -2.614524342e-01 -2.614524342e-01 5.36 -2.525922228e-01 -2.525922228e-01 5.38 -2.439299839e-01 -2.439299839e-01 5.40 -2.354666515e-01 -2.354666515e-01 5.42 -2.272055893e-01 -2.272055893e-01 5.44 -2.191522620e-01 -2.191522620e-01 5.46 -2.113137638e-01 -2.113137638e-01 5.48 -2.036982257e-01 -2.036982257e-01 5.50 -1.963141341e-01 -1.963141341e-01 5.52 -1.891696143e-01 -1.891696143e-01 5.54 -1.822717328e-01 -1.822717328e-01 5.56 -1.756258794e-01 -1.756258794e-01 5.58 -1.692352786e-01 -1.692352786e-01 5.60 -1.631004615e-01 -1.631004615e-01 5.62 -1.572193701e-01 -1.572193701e-01 5.64 -1.515877282e-01 -1.515877282e-01 5.66 -1.461987604e-01 -1.461987604e-01 5.68 -1.410435002e-01 -1.410435002e-01 5.70 -1.361111782e-01 -1.361111782e-01 5.72 -1.313896423e-01 -1.313896423e-01 5.74 -1.268657728e-01 -1.268657728e-01 5.76 -1.225258677e-01 -1.225258677e-01 5.78 -1.183559776e-01 -1.183559776e-01 5.80 -1.143421825e-01 -1.143421825e-01 5.82 -1.104708090e-01 -1.104708090e-01 5.84 -1.067285914e-01 -1.067285914e-01 5.86 -1.031027845e-01 -1.031027845e-01 5.88 -9.958123776e-02 -9.958123776e-02 5.90 -9.615243953e-02 -9.615243953e-02 5.92 -9.280554308e-02 -9.280554308e-02 5.94 -8.953038186e-02 -8.953038186e-02 5.96 -8.631748243e-02 -8.631748243e-02 5.98 -8.315808160e-02 -8.315808160e-02 6.00 -8.004415280e-02 -8.004415280e-02