# 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 = FeMg2W # 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 4.240523832e+02 4.240523832e+02 1.30 3.914301287e+02 3.914301287e+02 1.32 3.613593628e+02 3.613593628e+02 1.34 3.336256187e+02 3.336256187e+02 1.36 3.080325220e+02 3.080325220e+02 1.38 2.844009552e+02 2.844009552e+02 1.40 2.625686750e+02 2.625686750e+02 1.42 2.423896202e+02 2.423896202e+02 1.44 2.237325995e+02 2.237325995e+02 1.46 2.064794906e+02 2.064794906e+02 1.48 1.905232760e+02 1.905232760e+02 1.50 1.757662414e+02 1.757662414e+02 1.52 1.621185764e+02 1.621185764e+02 1.54 1.494974352e+02 1.494974352e+02 1.56 1.378263577e+02 1.378263577e+02 1.58 1.270348357e+02 1.270348357e+02 1.60 1.170578314e+02 1.170578314e+02 1.62 1.078352001e+02 1.078352001e+02 1.64 9.931111153e+01 9.931111153e+01 1.66 9.143408473e+01 9.143408473e+01 1.68 8.415590748e+01 8.415590748e+01 1.70 7.743113041e+01 7.743113041e+01 1.72 7.121722571e+01 7.121722571e+01 1.74 6.547450507e+01 6.547450507e+01 1.76 6.016595856e+01 6.016595856e+01 1.78 5.525702114e+01 5.525702114e+01 1.80 5.071619054e+01 5.071619054e+01 1.82 4.651455986e+01 4.651455986e+01 1.84 4.262573571e+01 4.262573571e+01 1.86 3.902579094e+01 3.902579094e+01 1.88 3.569316481e+01 3.569316481e+01 1.90 3.260846645e+01 3.260846645e+01 1.92 2.975417186e+01 2.975417186e+01 1.94 2.711426948e+01 2.711426948e+01 1.96 2.467392646e+01 2.467392646e+01 1.98 2.241923605e+01 2.241923605e+01 2.00 2.033705617e+01 2.033705617e+01 2.02 1.841491973e+01 1.841491973e+01 2.04 1.664099207e+01 1.664099207e+01 2.06 1.500405258e+01 1.500405258e+01 2.08 1.349348788e+01 1.349348788e+01 2.10 1.209929728e+01 1.209929728e+01 2.12 1.081211327e+01 1.081211327e+01 2.14 9.623236082e+00 9.623236082e+00 2.16 8.524673304e+00 8.524673304e+00 2.18 7.509183317e+00 7.509183317e+00 2.20 6.570359441e+00 6.570359441e+00 2.22 5.702168065e+00 5.702168065e+00 2.24 4.899197180e+00 4.899197180e+00 2.26 4.156647819e+00 4.156647819e+00 2.28 3.470234114e+00 3.470234114e+00 2.30 2.836118504e+00 2.836118504e+00 2.32 2.251134726e+00 2.251134726e+00 2.34 1.712522211e+00 1.712522211e+00 2.36 1.217582779e+00 1.217582779e+00 2.38 7.637022124e-01 7.637022124e-01 2.40 3.483686080e-01 3.483686080e-01 2.42 -3.081966235e-02 -3.081966235e-02 2.44 -3.761510364e-01 -3.761510364e-01 2.46 -6.898032818e-01 -6.898032818e-01 2.48 -9.738468382e-01 -9.738468382e-01 2.50 -1.230248634e+00 -1.230248634e+00 2.52 -1.460875311e+00 -1.460875311e+00 2.54 -1.667495332e+00 -1.667495332e+00 2.56 -1.851779933e+00 -1.851779933e+00 2.58 -2.015303578e+00 -2.015303578e+00 2.60 -2.159544958e+00 -2.159544958e+00 2.62 -2.285888959e+00 -2.285888959e+00 2.64 -2.395632354e+00 -2.395632354e+00 2.66 -2.489986944e+00 -2.489986944e+00 2.68 -2.570092314e+00 -2.570092314e+00 2.70 -2.637011819e+00 -2.637011819e+00 2.72 -2.691748493e+00 -2.691748493e+00 2.74 -2.735257698e+00 -2.735257698e+00 2.76 -2.768455682e+00 -2.768455682e+00 2.78 -2.792226647e+00 -2.792226647e+00 2.80 -2.807427873e+00 -2.807427873e+00 2.82 -2.814783781e+00 -2.814783781e+00 2.84 -2.814814208e+00 -2.814814208e+00 2.86 -2.808023257e+00 -2.808023257e+00 2.88 -2.794916100e+00 -2.794916100e+00 2.90 -2.775995173e+00 -2.775995173e+00 2.92 -2.751758831e+00 -2.751758831e+00 2.94 -2.722702443e+00 -2.722702443e+00 2.96 -2.689320944e+00 -2.689320944e+00 2.98 -2.652111147e+00 -2.652111147e+00 3.00 -2.611571831e+00 -2.611571831e+00 3.02 -2.568200073e+00 -2.568200073e+00 3.04 -2.522483100e+00 -2.522483100e+00 3.06 -2.474887995e+00 -2.474887995e+00 3.08 -2.425847014e+00 -2.425847014e+00 3.10 -2.375746669e+00 -2.375746669e+00 3.12 -2.324917703e+00 -2.324917703e+00 3.14 -2.273632771e+00 -2.273632771e+00 3.16 -2.222103256e+00 -2.222103256e+00 3.18 -2.170487007e+00 -2.170487007e+00 3.20 -2.118896297e+00 -2.118896297e+00 3.22 -2.067410022e+00 -2.067410022e+00 3.24 -2.016147305e+00 -2.016147305e+00 3.26 -1.965088438e+00 -1.965088438e+00 3.28 -1.914154574e+00 -1.914154574e+00 3.30 -1.863289003e+00 -1.863289003e+00 3.32 -1.812461162e+00 -1.812461162e+00 3.34 -1.761557053e+00 -1.761557053e+00 3.36 -1.710222955e+00 -1.710222955e+00 3.38 -1.658163711e+00 -1.658163711e+00 3.40 -1.605199218e+00 -1.605199218e+00 3.42 -1.551265225e+00 -1.551265225e+00 3.44 -1.496409503e+00 -1.496409503e+00 3.46 -1.440784079e+00 -1.440784079e+00 3.48 -1.384631606e+00 -1.384631606e+00 3.50 -1.328266668e+00 -1.328266668e+00 3.52 -1.272052989e+00 -1.272052989e+00 3.54 -1.216378417e+00 -1.216378417e+00 3.56 -1.161629921e+00 -1.161629921e+00 3.58 -1.108170904e+00 -1.108170904e+00 3.60 -1.056322695e+00 -1.056322695e+00 3.62 -1.006351459e+00 -1.006351459e+00 3.64 -9.584609363e-01 -9.584609363e-01 3.66 -9.127906976e-01 -9.127906976e-01 3.68 -8.694190449e-01 -8.694190449e-01 3.70 -8.283693568e-01 -8.283693568e-01 3.72 -7.896186066e-01 -7.896186066e-01 3.74 -7.531068714e-01 -7.531068714e-01 3.76 -7.187468622e-01 -7.187468622e-01 3.78 -6.864327567e-01 -6.864327567e-01 3.80 -6.560478681e-01 -6.560478681e-01 3.82 -6.274708927e-01 -6.274708927e-01 3.84 -6.005806589e-01 -6.005806589e-01 3.86 -5.752594347e-01 -5.752594347e-01 3.88 -5.513949624e-01 -5.513949624e-01 3.90 -5.288814681e-01 -5.288814681e-01 3.92 -5.076196914e-01 -5.076196914e-01 3.94 -4.875177754e-01 -4.875177754e-01 3.96 -4.684892654e-01 -4.684892654e-01 3.98 -4.504539376e-01 -4.504539376e-01 4.00 -4.333372194e-01 -4.333372194e-01 4.02 -4.170700192e-01 -4.170700192e-01 4.04 -4.015886177e-01 -4.015886177e-01 4.06 -3.868345683e-01 -3.868345683e-01 4.08 -3.727545629e-01 -3.727545629e-01 4.10 -3.592994974e-01 -3.592994974e-01 4.12 -3.464273274e-01 -3.464273274e-01 4.14 -3.340978196e-01 -3.340978196e-01 4.16 -3.222756814e-01 -3.222756814e-01 4.18 -3.109292510e-01 -3.109292510e-01 4.20 -3.000301165e-01 -3.000301165e-01 4.22 -2.895527458e-01 -2.895527458e-01 4.24 -2.794741386e-01 -2.794741386e-01 4.26 -2.697735053e-01 -2.697735053e-01 4.28 -2.604319790e-01 -2.604319790e-01 4.30 -2.514323601e-01 -2.514323601e-01 4.32 -2.427588923e-01 -2.427588923e-01 4.34 -2.343970702e-01 -2.343970702e-01 4.36 -2.263334743e-01 -2.263334743e-01 4.38 -2.185556307e-01 -2.185556307e-01 4.40 -2.110518932e-01 -2.110518932e-01 4.42 -2.038113429e-01 -2.038113429e-01 4.44 -1.968237055e-01 -1.968237055e-01 4.46 -1.900792800e-01 -1.900792800e-01 4.48 -1.835688799e-01 -1.835688799e-01 4.50 -1.772837839e-01 -1.772837839e-01 4.52 -1.712156926e-01 -1.712156926e-01 4.54 -1.653566890e-01 -1.653566890e-01 4.56 -1.596992100e-01 -1.596992100e-01 4.58 -1.542360191e-01 -1.542360191e-01 4.60 -1.489601823e-01 -1.489601823e-01 4.62 -1.438650475e-01 -1.438650475e-01 4.64 -1.389442258e-01 -1.389442258e-01 4.66 -1.341915746e-01 -1.341915746e-01 4.68 -1.296011829e-01 -1.296011829e-01 4.70 -1.251673574e-01 -1.251673574e-01 4.72 -1.208846104e-01 -1.208846104e-01 4.74 -1.167476479e-01 -1.167476479e-01 4.76 -1.127513593e-01 -1.127513593e-01 4.78 -1.088908074e-01 -1.088908074e-01 4.80 -1.051608102e-01 -1.051608102e-01 4.82 -1.015576405e-01 -1.015576405e-01 4.84 -9.807627976e-02 -9.807627976e-02 4.86 -9.471221167e-02 -9.471221167e-02 4.88 -9.146127503e-02 -9.146127503e-02 4.90 -8.831944838e-02 -8.831944838e-02 4.92 -8.528282015e-02 -8.528282015e-02 4.94 -8.234758364e-02 -8.234758364e-02 4.96 -7.951003239e-02 -7.951003239e-02 4.98 -7.676655581e-02 -7.676655581e-02 5.00 -7.411363532e-02 -7.411363532e-02 5.02 -7.154784109e-02 -7.154784109e-02 5.04 -6.906582952e-02 -6.906582952e-02 5.06 -6.666434163e-02 -6.666434163e-02 5.08 -6.434020276e-02 -6.434020276e-02 5.10 -6.209032356e-02 -6.209032356e-02 5.12 -5.991170287e-02 -5.991170287e-02 5.14 -5.780143255e-02 -5.780143255e-02 5.16 -5.575670473e-02 -5.575670473e-02 5.18 -5.377482159e-02 -5.377482159e-02 5.20 -5.185320799e-02 -5.185320799e-02 5.22 -4.998942684e-02 -4.998942684e-02 5.24 -4.818119707e-02 -4.818119707e-02 5.26 -4.642641367e-02 -4.642641367e-02 5.28 -4.472316884e-02 -4.472316884e-02 5.30 -4.306977282e-02 -4.306977282e-02 5.32 -4.146477265e-02 -4.146477265e-02 5.34 -3.990696635e-02 -3.990696635e-02 5.36 -3.839541009e-02 -3.839541009e-02 5.38 -3.692941514e-02 -3.692941514e-02 5.40 -3.550853281e-02 -3.550853281e-02 5.42 -3.413252574e-02 -3.413252574e-02 5.44 -3.280132485e-02 -3.280132485e-02 5.46 -3.151497352e-02 -3.151497352e-02 5.48 -3.027356188e-02 -3.027356188e-02 5.50 -2.907715588e-02 -2.907715588e-02 5.52 -2.792572701e-02 -2.792572701e-02 5.54 -2.681908853e-02 -2.681908853e-02 5.56 -2.575684400e-02 -2.575684400e-02 5.58 -2.473835207e-02 -2.473835207e-02 5.60 -2.376270978e-02 -2.376270978e-02 5.62 -2.282875439e-02 -2.282875439e-02 5.64 -2.193508164e-02 -2.193508164e-02 5.66 -2.108007704e-02 -2.108007704e-02 5.68 -2.026195582e-02 -2.026195582e-02 5.70 -1.947880711e-02 -1.947880711e-02 5.72 -1.872863841e-02 -1.872863841e-02 5.74 -1.800941651e-02 -1.800941651e-02 5.76 -1.731906194e-02 -1.731906194e-02 5.78 -1.665554802e-02 -1.665554802e-02 5.80 -1.601692755e-02 -1.601692755e-02 5.82 -1.540131972e-02 -1.540131972e-02 5.84 -1.480692241e-02 -1.480692241e-02 5.86 -1.423202005e-02 -1.423202005e-02 5.88 -1.367498824e-02 -1.367498824e-02 5.90 -1.313429612e-02 -1.313429612e-02 5.92 -1.260850763e-02 -1.260850763e-02 5.94 -1.209628247e-02 -1.209628247e-02 5.96 -1.159637758e-02 -1.159637758e-02 5.98 -1.110764965e-02 -1.110764965e-02 6.00 -1.062905913e-02 -1.062905913e-02