# 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 = CoTaZr2 # 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 3.262156002e+02 3.262156002e+02 1.30 3.027564576e+02 3.027564576e+02 1.32 2.810165669e+02 2.810165669e+02 1.34 2.608594888e+02 2.608594888e+02 1.36 2.421613076e+02 2.421613076e+02 1.38 2.248097027e+02 2.248097027e+02 1.40 2.087027022e+02 2.087027022e+02 1.42 1.937468637e+02 1.937468637e+02 1.44 1.798553467e+02 1.798553467e+02 1.46 1.669466562e+02 1.669466562e+02 1.48 1.549443504e+02 1.549443504e+02 1.50 1.437772530e+02 1.437772530e+02 1.52 1.333797136e+02 1.333797136e+02 1.54 1.236917081e+02 1.236917081e+02 1.56 1.146589560e+02 1.146589560e+02 1.58 1.062329393e+02 1.062329393e+02 1.60 9.837050857e+01 9.837050857e+01 1.62 9.103299331e+01 9.103299331e+01 1.64 8.418521217e+01 8.418521217e+01 1.66 7.779470126e+01 7.779470126e+01 1.68 7.183131844e+01 7.183131844e+01 1.70 6.626716341e+01 6.626716341e+01 1.72 6.107643901e+01 6.107643901e+01 1.74 5.623519516e+01 5.623519516e+01 1.76 5.172099494e+01 5.172099494e+01 1.78 4.751267216e+01 4.751267216e+01 1.80 4.359016171e+01 4.359016171e+01 1.82 3.993440011e+01 3.993440011e+01 1.84 3.652720163e+01 3.652720163e+01 1.86 3.335130754e+01 3.335130754e+01 1.88 3.039049104e+01 3.039049104e+01 1.90 2.762968098e+01 2.762968098e+01 1.92 2.505498122e+01 2.505498122e+01 1.94 2.265357829e+01 2.265357829e+01 1.96 2.041358225e+01 2.041358225e+01 1.98 1.832399422e+01 1.832399422e+01 2.00 1.637699696e+01 1.637699696e+01 2.02 1.456553335e+01 1.456553335e+01 2.04 1.288060565e+01 1.288060565e+01 2.06 1.131415815e+01 1.131415815e+01 2.08 9.858288320e+00 9.858288320e+00 2.10 8.505624484e+00 8.505624484e+00 2.12 7.249300642e+00 7.249300642e+00 2.14 6.082926088e+00 6.082926088e+00 2.16 5.000582236e+00 5.000582236e+00 2.18 3.996801190e+00 3.996801190e+00 2.20 3.066536950e+00 3.066536950e+00 2.22 2.205094658e+00 2.205094658e+00 2.24 1.408072849e+00 1.408072849e+00 2.26 6.713282215e-01 6.713282215e-01 2.28 -9.051167078e-03 -9.051167078e-03 2.30 -6.367247154e-01 -6.367247154e-01 2.32 -1.215140918e+00 -1.215140918e+00 2.34 -1.747526953e+00 -1.747526953e+00 2.36 -2.236932904e+00 -2.236932904e+00 2.38 -2.686247325e+00 -2.686247325e+00 2.40 -3.098210552e+00 -3.098210552e+00 2.42 -3.475429491e+00 -3.475429491e+00 2.44 -3.820375628e+00 -3.820375628e+00 2.46 -4.135393394e+00 -4.135393394e+00 2.48 -4.422694832e+00 -4.422694832e+00 2.50 -4.684350732e+00 -4.684350732e+00 2.52 -4.922280065e+00 -4.922280065e+00 2.54 -5.138242111e+00 -5.138242111e+00 2.56 -5.333834405e+00 -5.333834405e+00 2.58 -5.510497922e+00 -5.510497922e+00 2.60 -5.669529238e+00 -5.669529238e+00 2.62 -5.812094387e+00 -5.812094387e+00 2.64 -5.939262133e+00 -5.939262133e+00 2.66 -6.052000324e+00 -6.052000324e+00 2.68 -6.151209853e+00 -6.151209853e+00 2.70 -6.237735101e+00 -6.237735101e+00 2.72 -6.312375253e+00 -6.312375253e+00 2.74 -6.375890883e+00 -6.375890883e+00 2.76 -6.429005744e+00 -6.429005744e+00 2.78 -6.472392468e+00 -6.472392468e+00 2.80 -6.506634045e+00 -6.506634045e+00 2.82 -6.532466558e+00 -6.532466558e+00 2.84 -6.550472242e+00 -6.550472242e+00 2.86 -6.561110627e+00 -6.561110627e+00 2.88 -6.564823947e+00 -6.564823947e+00 2.90 -6.562038749e+00 -6.562038749e+00 2.92 -6.553167798e+00 -6.553167798e+00 2.94 -6.538611605e+00 -6.538611605e+00 2.96 -6.518759202e+00 -6.518759202e+00 2.98 -6.493968935e+00 -6.493968935e+00 3.00 -6.464348906e+00 -6.464348906e+00 3.02 -6.429858751e+00 -6.429858751e+00 3.04 -6.390542748e+00 -6.390542748e+00 3.06 -6.346453642e+00 -6.346453642e+00 3.08 -6.297646603e+00 -6.297646603e+00 3.10 -6.244213631e+00 -6.244213631e+00 3.12 -6.186269075e+00 -6.186269075e+00 3.14 -6.123962505e+00 -6.123962505e+00 3.16 -6.057452882e+00 -6.057452882e+00 3.18 -5.986927705e+00 -5.986927705e+00 3.20 -5.912592161e+00 -5.912592161e+00 3.22 -5.834623009e+00 -5.834623009e+00 3.24 -5.753209234e+00 -5.753209234e+00 3.26 -5.668583382e+00 -5.668583382e+00 3.28 -5.581021463e+00 -5.581021463e+00 3.30 -5.490838979e+00 -5.490838979e+00 3.32 -5.398381533e+00 -5.398381533e+00 3.34 -5.304009929e+00 -5.304009929e+00 3.36 -5.208081671e+00 -5.208081671e+00 3.38 -5.110932247e+00 -5.110932247e+00 3.40 -5.012858267e+00 -5.012858267e+00 3.42 -4.914113999e+00 -4.914113999e+00 3.44 -4.814898223e+00 -4.814898223e+00 3.46 -4.715363222e+00 -4.715363222e+00 3.48 -4.615618473e+00 -4.615618473e+00 3.50 -4.515737916e+00 -4.515737916e+00 3.52 -4.415767541e+00 -4.415767541e+00 3.54 -4.315732536e+00 -4.315732536e+00 3.56 -4.215643750e+00 -4.215643750e+00 3.58 -4.115503531e+00 -4.115503531e+00 3.60 -4.015311181e+00 -4.015311181e+00 3.62 -3.915068253e+00 -3.915068253e+00 3.64 -3.814783894e+00 -3.814783894e+00 3.66 -3.714480279e+00 -3.714480279e+00 3.68 -3.614198117e+00 -3.614198117e+00 3.70 -3.514002012e+00 -3.514002012e+00 3.72 -3.413985378e+00 -3.413985378e+00 3.74 -3.314274478e+00 -3.314274478e+00 3.76 -3.215031078e+00 -3.215031078e+00 3.78 -3.116453180e+00 -3.116453180e+00 3.80 -3.018773294e+00 -3.018773294e+00 3.82 -2.922253825e+00 -2.922253825e+00 3.84 -2.827179362e+00 -2.827179362e+00 3.86 -2.733845968e+00 -2.733845968e+00 3.88 -2.642548066e+00 -2.642548066e+00 3.90 -2.553564016e+00 -2.553564016e+00 3.92 -2.467138434e+00 -2.467138434e+00 3.94 -2.383484359e+00 -2.383484359e+00 3.96 -2.302751469e+00 -2.302751469e+00 3.98 -2.225037663e+00 -2.225037663e+00 4.00 -2.150384793e+00 -2.150384793e+00 4.02 -2.078782750e+00 -2.078782750e+00 4.04 -2.010176543e+00 -2.010176543e+00 4.06 -1.944475127e+00 -1.944475127e+00 4.08 -1.881560784e+00 -1.881560784e+00 4.10 -1.821289708e+00 -1.821289708e+00 4.12 -1.763535253e+00 -1.763535253e+00 4.14 -1.708139037e+00 -1.708139037e+00 4.16 -1.654955367e+00 -1.654955367e+00 4.18 -1.603844788e+00 -1.603844788e+00 4.20 -1.554676818e+00 -1.554676818e+00 4.22 -1.507331618e+00 -1.507331618e+00 4.24 -1.461700762e+00 -1.461700762e+00 4.26 -1.417687226e+00 -1.417687226e+00 4.28 -1.375204756e+00 -1.375204756e+00 4.30 -1.334176742e+00 -1.334176742e+00 4.32 -1.294534784e+00 -1.294534784e+00 4.34 -1.256217107e+00 -1.256217107e+00 4.36 -1.219167012e+00 -1.219167012e+00 4.38 -1.183331518e+00 -1.183331518e+00 4.40 -1.148660292e+00 -1.148660292e+00 4.42 -1.115104919e+00 -1.115104919e+00 4.44 -1.082618488e+00 -1.082618488e+00 4.46 -1.051155442e+00 -1.051155442e+00 4.48 -1.020671606e+00 -1.020671606e+00 4.50 -9.911243050e-01 -9.911243050e-01 4.52 -9.624725164e-01 -9.624725164e-01 4.54 -9.346769885e-01 -9.346769885e-01 4.56 -9.077003188e-01 -9.077003188e-01 4.58 -8.815069764e-01 -8.815069764e-01 4.60 -8.560632771e-01 -8.560632771e-01 4.62 -8.313373257e-01 -8.313373257e-01 4.64 -8.072989414e-01 -8.072989414e-01 4.66 -7.839195829e-01 -7.839195829e-01 4.68 -7.611722883e-01 -7.611722883e-01 4.70 -7.390316405e-01 -7.390316405e-01 4.72 -7.174737668e-01 -7.174737668e-01 4.74 -6.964763768e-01 -6.964763768e-01 4.76 -6.760188375e-01 -6.760188375e-01 4.78 -6.560822797e-01 -6.560822797e-01 4.80 -6.366435481e-01 -6.366435481e-01 4.82 -6.177010807e-01 -6.177010807e-01 4.84 -5.992346309e-01 -5.992346309e-01 4.86 -5.812335575e-01 -5.812335575e-01 4.88 -5.636893462e-01 -5.636893462e-01 4.90 -5.465954596e-01 -5.465954596e-01 4.92 -5.299470558e-01 -5.299470558e-01 4.94 -5.137405700e-01 -5.137405700e-01 4.96 -4.979731768e-01 -4.979731768e-01 4.98 -4.826421705e-01 -4.826421705e-01 5.00 -4.677443195e-01 -4.677443195e-01 5.02 -4.532752601e-01 -4.532752601e-01 5.04 -4.392289927e-01 -4.392289927e-01 5.06 -4.255975317e-01 -4.255975317e-01 5.08 -4.123707394e-01 -4.123707394e-01 5.10 -3.995363475e-01 -3.995363475e-01 5.12 -3.870801499e-01 -3.870801499e-01 5.14 -3.749863325e-01 -3.749863325e-01 5.16 -3.632378980e-01 -3.632378980e-01 5.18 -3.518171450e-01 -3.518171450e-01 5.20 -3.407061655e-01 -3.407061655e-01 5.22 -3.298873358e-01 -3.298873358e-01 5.24 -3.193437825e-01 -3.193437825e-01 5.26 -3.090598155e-01 -3.090598155e-01 5.28 -2.990213216e-01 -2.990213216e-01 5.30 -2.892161151e-01 -2.892161151e-01 5.32 -2.796342370e-01 -2.796342370e-01 5.34 -2.702681941e-01 -2.702681941e-01 5.36 -2.611131195e-01 -2.611131195e-01 5.38 -2.521668376e-01 -2.521668376e-01 5.40 -2.434298114e-01 -2.434298114e-01 5.42 -2.349049553e-01 -2.349049553e-01 5.44 -2.265973043e-01 -2.265973043e-01 5.46 -2.185135418e-01 -2.185135418e-01 5.48 -2.106614050e-01 -2.106614050e-01 5.50 -2.030490027e-01 -2.030490027e-01 5.52 -1.956840971e-01 -1.956840971e-01 5.54 -1.885734057e-01 -1.885734057e-01 5.56 -1.817219816e-01 -1.817219816e-01 5.58 -1.751327242e-01 -1.751327242e-01 5.60 -1.688058510e-01 -1.688058510e-01 5.62 -1.627389982e-01 -1.627389982e-01 5.64 -1.569275934e-01 -1.569275934e-01 5.66 -1.513645733e-01 -1.513645733e-01 5.68 -1.460406908e-01 -1.460406908e-01 5.70 -1.409449019e-01 -1.409449019e-01 5.72 -1.360647854e-01 -1.360647854e-01 5.74 -1.313869578e-01 -1.313869578e-01 5.76 -1.268974578e-01 -1.268974578e-01 5.78 -1.225820803e-01 -1.225820803e-01 5.80 -1.184266533e-01 -1.184266533e-01 5.82 -1.144172549e-01 -1.144172549e-01 5.84 -1.105403743e-01 -1.105403743e-01 5.86 -1.067830244e-01 -1.067830244e-01 5.88 -1.031328166e-01 -1.031328166e-01 5.90 -9.957800579e-02 -9.957800579e-02 5.92 -9.610751715e-02 -9.610751715e-02 5.94 -9.271096265e-02 -9.271096265e-02 5.96 -8.937865590e-02 -8.937865590e-02 5.98 -8.610163131e-02 -8.610163131e-02 6.00 -8.287167314e-02 -8.287167314e-02