# 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 = FePt2W # 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 4.026322379e+02 4.026322379e+02 1.30 3.744620912e+02 3.744620912e+02 1.32 3.482147026e+02 3.482147026e+02 1.34 3.237504503e+02 3.237504503e+02 1.36 3.009525502e+02 3.009525502e+02 1.38 2.797189860e+02 2.797189860e+02 1.40 2.599554794e+02 2.599554794e+02 1.42 2.415700694e+02 2.415700694e+02 1.44 2.244683013e+02 2.244683013e+02 1.46 2.085521796e+02 2.085521796e+02 1.48 1.937247607e+02 1.937247607e+02 1.50 1.798957847e+02 1.798957847e+02 1.52 1.669834337e+02 1.669834337e+02 1.54 1.549126613e+02 1.549126613e+02 1.56 1.436132559e+02 1.436132559e+02 1.58 1.330191357e+02 1.330191357e+02 1.60 1.230683953e+02 1.230683953e+02 1.62 1.137036339e+02 1.137036339e+02 1.64 1.048728084e+02 1.048728084e+02 1.66 9.653077427e+01 9.653077427e+01 1.68 8.864092942e+01 8.864092942e+01 1.70 8.117595279e+01 8.117595279e+01 1.72 7.411686727e+01 7.411686727e+01 1.74 6.745036395e+01 6.745036395e+01 1.76 6.116533346e+01 6.116533346e+01 1.78 5.525059498e+01 5.525059498e+01 1.80 4.969332371e+01 4.969332371e+01 1.82 4.447953730e+01 4.447953730e+01 1.84 3.960805323e+01 3.960805323e+01 1.86 3.517192141e+01 3.517192141e+01 1.88 3.116255811e+01 3.116255811e+01 1.90 2.754374720e+01 2.754374720e+01 1.92 2.427952601e+01 2.427952601e+01 1.94 2.133417134e+01 2.133417134e+01 1.96 1.867306873e+01 1.867306873e+01 1.98 1.626403270e+01 1.626403270e+01 2.00 1.407839322e+01 1.407839322e+01 2.02 1.209143598e+01 1.209143598e+01 2.04 1.028222105e+01 1.028222105e+01 2.06 8.633043253e+00 8.633043253e+00 2.08 7.128790236e+00 7.128790236e+00 2.10 5.756346644e+00 5.756346644e+00 2.12 4.504108761e+00 4.504108761e+00 2.14 3.361636390e+00 3.361636390e+00 2.16 2.319447953e+00 2.319447953e+00 2.18 1.368935446e+00 1.368935446e+00 2.20 5.023472705e-01 5.023472705e-01 2.22 -2.872186356e-01 -2.872186356e-01 2.24 -1.005848567e+00 -1.005848567e+00 2.26 -1.658881985e+00 -1.658881985e+00 2.28 -2.251004820e+00 -2.251004820e+00 2.30 -2.786351596e+00 -2.786351596e+00 2.32 -3.268604958e+00 -3.268604958e+00 2.34 -3.701087443e+00 -3.701087443e+00 2.36 -4.086845194e+00 -4.086845194e+00 2.38 -4.428725274e+00 -4.428725274e+00 2.40 -4.729416846e+00 -4.729416846e+00 2.42 -4.991528049e+00 -4.991528049e+00 2.44 -5.217793362e+00 -5.217793362e+00 2.46 -5.410986405e+00 -5.410986405e+00 2.48 -5.573936209e+00 -5.573936209e+00 2.50 -5.709524050e+00 -5.709524050e+00 2.52 -5.820648033e+00 -5.820648033e+00 2.54 -5.910153742e+00 -5.910153742e+00 2.56 -5.980692194e+00 -5.980692194e+00 2.58 -6.034420282e+00 -6.034420282e+00 2.60 -6.073532348e+00 -6.073532348e+00 2.62 -6.101763445e+00 -6.101763445e+00 2.64 -6.120082745e+00 -6.120082745e+00 2.66 -6.128835578e+00 -6.128835578e+00 2.68 -6.128274590e+00 -6.128274590e+00 2.70 -6.118597983e+00 -6.118597983e+00 2.72 -6.099984422e+00 -6.099984422e+00 2.74 -6.072618641e+00 -6.072618641e+00 2.76 -6.036707144e+00 -6.036707144e+00 2.78 -5.992486327e+00 -5.992486327e+00 2.80 -5.940226232e+00 -5.940226232e+00 2.82 -5.880232885e+00 -5.880232885e+00 2.84 -5.812851528e+00 -5.812851528e+00 2.86 -5.738472146e+00 -5.738472146e+00 2.88 -5.657540841e+00 -5.657540841e+00 2.90 -5.570562861e+00 -5.570562861e+00 2.92 -5.478109699e+00 -5.478109699e+00 2.94 -5.380828856e+00 -5.380828856e+00 2.96 -5.279435267e+00 -5.279435267e+00 2.98 -5.174688193e+00 -5.174688193e+00 3.00 -5.067353827e+00 -5.067353827e+00 3.02 -4.958125877e+00 -4.958125877e+00 3.04 -4.847452832e+00 -4.847452832e+00 3.06 -4.735664191e+00 -4.735664191e+00 3.08 -4.623015794e+00 -4.623015794e+00 3.10 -4.509681909e+00 -4.509681909e+00 3.12 -4.395761333e+00 -4.395761333e+00 3.14 -4.281293260e+00 -4.281293260e+00 3.16 -4.166277853e+00 -4.166277853e+00 3.18 -4.050697497e+00 -4.050697497e+00 3.20 -3.934535987e+00 -3.934535987e+00 3.22 -3.817794389e+00 -3.817794389e+00 3.24 -3.700503173e+00 -3.700503173e+00 3.26 -3.582730781e+00 -3.582730781e+00 3.28 -3.464589010e+00 -3.464589010e+00 3.30 -3.346235621e+00 -3.346235621e+00 3.32 -3.227897468e+00 -3.227897468e+00 3.34 -3.110174150e+00 -3.110174150e+00 3.36 -2.993890421e+00 -2.993890421e+00 3.38 -2.879803624e+00 -2.879803624e+00 3.40 -2.768588137e+00 -2.768588137e+00 3.42 -2.660826567e+00 -2.660826567e+00 3.44 -2.557001617e+00 -2.557001617e+00 3.46 -2.457489882e+00 -2.457489882e+00 3.48 -2.362558621e+00 -2.362558621e+00 3.50 -2.272366366e+00 -2.272366366e+00 3.52 -2.186967804e+00 -2.186967804e+00 3.54 -2.106322880e+00 -2.106322880e+00 3.56 -2.030309502e+00 -2.030309502e+00 3.58 -1.958738803e+00 -1.958738803e+00 3.60 -1.891371639e+00 -1.891371639e+00 3.62 -1.827934989e+00 -1.827934989e+00 3.64 -1.768137107e+00 -1.768137107e+00 3.66 -1.711680560e+00 -1.711680560e+00 3.68 -1.658272725e+00 -1.658272725e+00 3.70 -1.607633593e+00 -1.607633593e+00 3.72 -1.559501055e+00 -1.559501055e+00 3.74 -1.513634003e+00 -1.513634003e+00 3.76 -1.469813658e+00 -1.469813658e+00 3.78 -1.427843574e+00 -1.427843574e+00 3.80 -1.387548718e+00 -1.387548718e+00 3.82 -1.348773966e+00 -1.348773966e+00 3.84 -1.311382306e+00 -1.311382306e+00 3.86 -1.275252946e+00 -1.275252946e+00 3.88 -1.240279477e+00 -1.240279477e+00 3.90 -1.206368207e+00 -1.206368207e+00 3.92 -1.173436707e+00 -1.173436707e+00 3.94 -1.141412628e+00 -1.141412628e+00 3.96 -1.110232765e+00 -1.110232765e+00 3.98 -1.079842386e+00 -1.079842386e+00 4.00 -1.050194772e+00 -1.050194772e+00 4.02 -1.021250925e+00 -1.021250925e+00 4.04 -9.929793732e-01 -9.929793732e-01 4.06 -9.653559803e-01 -9.653559803e-01 4.08 -9.383636555e-01 -9.383636555e-01 4.10 -9.119918508e-01 -9.119918508e-01 4.12 -8.862357949e-01 -8.862357949e-01 4.14 -8.610952897e-01 -8.610952897e-01 4.16 -8.365732230e-01 -8.365732230e-01 4.18 -8.126737397e-01 -8.126737397e-01 4.20 -7.894002616e-01 -7.894002616e-01 4.22 -7.667535333e-01 -7.667535333e-01 4.24 -7.447299041e-01 -7.447299041e-01 4.26 -7.233200246e-01 -7.233200246e-01 4.28 -7.025080742e-01 -7.025080742e-01 4.30 -6.822715472e-01 -6.822715472e-01 4.32 -6.625815399e-01 -6.625815399e-01 4.34 -6.434034172e-01 -6.434034172e-01 4.36 -6.246977098e-01 -6.246977098e-01 4.38 -6.064210958e-01 -6.064210958e-01 4.40 -5.885273527e-01 -5.885273527e-01 4.42 -5.709682081e-01 -5.709682081e-01 4.44 -5.536940561e-01 -5.536940561e-01 4.46 -5.366545615e-01 -5.366545615e-01 4.48 -5.197991991e-01 -5.197991991e-01 4.50 -5.030776960e-01 -5.030776960e-01 4.52 -4.864406917e-01 -4.864406917e-01 4.54 -4.698416751e-01 -4.698416751e-01 4.56 -4.532334685e-01 -4.532334685e-01 4.58 -4.365719224e-01 -4.365719224e-01 4.60 -4.198176625e-01 -4.198176625e-01 4.62 -4.029371241e-01 -4.029371241e-01 4.64 -3.859039570e-01 -3.859039570e-01 4.66 -3.687007019e-01 -3.687007019e-01 4.68 -3.513206213e-01 -3.513206213e-01 4.70 -3.337695413e-01 -3.337695413e-01 4.72 -3.160675250e-01 -3.160675250e-01 4.74 -2.982501704e-01 -2.982501704e-01 4.76 -2.803693080e-01 -2.803693080e-01 4.78 -2.624928828e-01 -2.624928828e-01 4.80 -2.447038460e-01 -2.447038460e-01 4.82 -2.270979643e-01 -2.270979643e-01 4.84 -2.097805538e-01 -2.097805538e-01 4.86 -1.928623011e-01 -1.928623011e-01 4.88 -1.764544412e-01 -1.764544412e-01 4.90 -1.606636819e-01 -1.606636819e-01 4.92 -1.455873146e-01 -1.455873146e-01 4.94 -1.313089449e-01 -1.313089449e-01 4.96 -1.178952002e-01 -1.178952002e-01 4.98 -1.053936518e-01 -1.053936518e-01 5.00 -9.383203414e-02 -9.383203414e-02 5.02 -8.321869761e-02 -8.321869761e-02 5.04 -7.354410895e-02 -7.354410895e-02 5.06 -6.478313403e-02 -6.478313403e-02 5.08 -5.689780690e-02 -5.689780690e-02 5.10 -4.984029988e-02 -4.984029988e-02 5.12 -4.355585173e-02 -4.355585173e-02 5.14 -3.798547021e-02 -3.798547021e-02 5.16 -3.306828933e-02 -3.306828933e-02 5.18 -2.874351986e-02 -2.874351986e-02 5.20 -2.495197433e-02 -2.495197433e-02 5.22 -2.163720072e-02 -2.163720072e-02 5.24 -1.874625625e-02 -1.874625625e-02 5.26 -1.623002369e-02 -1.623002369e-02 5.28 -1.404326061e-02 -1.404326061e-02 5.30 -1.214589849e-02 -1.214589849e-02 5.32 -1.050187430e-02 -1.050187430e-02 5.34 -9.078908488e-03 -9.078908488e-03 5.36 -7.848324610e-03 -7.848324610e-03 5.38 -6.784802705e-03 -6.784802705e-03 5.40 -5.866098136e-03 -5.866098136e-03 5.42 -5.072748213e-03 -5.072748213e-03 5.44 -4.387781632e-03 -4.387781632e-03 5.46 -3.796440464e-03 -3.796440464e-03 5.48 -3.285920530e-03 -3.285920530e-03 5.50 -2.845133212e-03 -2.845133212e-03 5.52 -2.464489910e-03 -2.464489910e-03 5.54 -2.135708995e-03 -2.135708995e-03 5.56 -1.851644382e-03 -1.851644382e-03 5.58 -1.606134275e-03 -1.606134275e-03 5.60 -1.393868460e-03 -1.393868460e-03 5.62 -1.210272354e-03 -1.210272354e-03 5.64 -1.051406065e-03 -1.051406065e-03 5.66 -9.138767738e-04 -9.138767738e-04 5.68 -7.947628575e-04 -7.947628575e-04 5.70 -6.915483086e-04 -6.915483086e-04 5.72 -6.020661410e-04 -6.020661410e-04 5.74 -5.244496124e-04 -5.244496124e-04 5.76 -4.570902245e-04 -4.570902245e-04 5.78 -3.986015885e-04 -3.986015885e-04 5.80 -3.477883535e-04 -3.477883535e-04 5.82 -3.036195006e-04 -3.036195006e-04 5.84 -2.652053956e-04 -2.652053956e-04 5.86 -2.317780737e-04 -2.317780737e-04 5.88 -2.026743038e-04 -2.026743038e-04 5.90 -1.773210383e-04 -1.773210383e-04 5.92 -1.552229129e-04 -1.552229129e-04 5.94 -1.359515041e-04 -1.359515041e-04 5.96 -1.191360968e-04 -1.191360968e-04 5.98 -1.044557465e-04 -1.044557465e-04 6.00 -9.163245298e-05 -9.163245298e-05