# 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 = FeTi2Zr # 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 2.765218438e+02 2.765218438e+02 1.30 2.553973596e+02 2.553973596e+02 1.32 2.358885256e+02 2.358885256e+02 1.34 2.178598232e+02 2.178598232e+02 1.36 2.011884426e+02 2.011884426e+02 1.38 1.857646536e+02 1.857646536e+02 1.40 1.714905592e+02 1.714905592e+02 1.42 1.582778252e+02 1.582778252e+02 1.44 1.460459833e+02 1.460459833e+02 1.46 1.347217221e+02 1.347217221e+02 1.48 1.242382511e+02 1.242382511e+02 1.50 1.145341085e+02 1.145341085e+02 1.52 1.055518468e+02 1.055518468e+02 1.54 9.723722412e+01 9.723722412e+01 1.56 8.953922730e+01 8.953922730e+01 1.58 8.241054149e+01 8.241054149e+01 1.60 7.580778847e+01 7.580778847e+01 1.62 6.969128900e+01 6.969128900e+01 1.64 6.402458043e+01 6.402458043e+01 1.66 5.877388961e+01 5.877388961e+01 1.68 5.390770420e+01 5.390770420e+01 1.70 4.939664963e+01 4.939664963e+01 1.72 4.521357892e+01 4.521357892e+01 1.74 4.133373853e+01 4.133373853e+01 1.76 3.773473600e+01 3.773473600e+01 1.78 3.439627414e+01 3.439627414e+01 1.80 3.129975738e+01 3.129975738e+01 1.82 2.842797406e+01 2.842797406e+01 1.84 2.576485201e+01 2.576485201e+01 1.86 2.329546775e+01 2.329546775e+01 1.88 2.100636259e+01 2.100636259e+01 1.90 1.888489549e+01 1.888489549e+01 1.92 1.691928237e+01 1.691928237e+01 1.94 1.509835823e+01 1.509835823e+01 1.96 1.341173165e+01 1.341173165e+01 1.98 1.184969825e+01 1.184969825e+01 2.00 1.040324078e+01 1.040324078e+01 2.02 9.063998677e+00 9.063998677e+00 2.04 7.824210426e+00 7.824210426e+00 2.06 6.676662180e+00 6.676662180e+00 2.08 5.614661392e+00 5.614661392e+00 2.10 4.632043498e+00 4.632043498e+00 2.12 3.723173883e+00 3.723173883e+00 2.14 2.882925163e+00 2.882925163e+00 2.16 2.106635269e+00 2.106635269e+00 2.18 1.390035092e+00 1.390035092e+00 2.20 7.291702769e-01 7.291702769e-01 2.22 1.203129619e-01 1.203129619e-01 2.24 -4.400969968e-01 -4.400969968e-01 2.26 -9.554707958e-01 -9.554707958e-01 2.28 -1.429063600e+00 -1.429063600e+00 2.30 -1.863917822e+00 -1.863917822e+00 2.32 -2.262849560e+00 -2.262849560e+00 2.34 -2.628406926e+00 -2.628406926e+00 2.36 -2.962884077e+00 -2.962884077e+00 2.38 -3.268339296e+00 -3.268339296e+00 2.40 -3.546633088e+00 -3.546633088e+00 2.42 -3.799478369e+00 -3.799478369e+00 2.44 -4.028480860e+00 -4.028480860e+00 2.46 -4.235175957e+00 -4.235175957e+00 2.48 -4.421045624e+00 -4.421045624e+00 2.50 -4.587521913e+00 -4.587521913e+00 2.52 -4.735980780e+00 -4.735980780e+00 2.54 -4.867731336e+00 -4.867731336e+00 2.56 -4.984004875e+00 -4.984004875e+00 2.58 -5.085947321e+00 -5.085947321e+00 2.60 -5.174617487e+00 -5.174617487e+00 2.62 -5.250989227e+00 -5.250989227e+00 2.64 -5.316019046e+00 -5.316019046e+00 2.66 -5.370533825e+00 -5.370533825e+00 2.68 -5.415235811e+00 -5.415235811e+00 2.70 -5.450788798e+00 -5.450788798e+00 2.72 -5.477818411e+00 -5.477818411e+00 2.74 -5.496911763e+00 -5.496911763e+00 2.76 -5.508617085e+00 -5.508617085e+00 2.78 -5.513439700e+00 -5.513439700e+00 2.80 -5.511751135e+00 -5.511751135e+00 2.82 -5.503835320e+00 -5.503835320e+00 2.84 -5.489984889e+00 -5.489984889e+00 2.86 -5.470382754e+00 -5.470382754e+00 2.88 -5.445255199e+00 -5.445255199e+00 2.90 -5.414872117e+00 -5.414872117e+00 2.92 -5.379541869e+00 -5.379541869e+00 2.94 -5.339605004e+00 -5.339605004e+00 2.96 -5.295427810e+00 -5.295427810e+00 2.98 -5.247395450e+00 -5.247395450e+00 3.00 -5.195829143e+00 -5.195829143e+00 3.02 -5.140939751e+00 -5.140939751e+00 3.04 -5.082959804e+00 -5.082959804e+00 3.06 -5.022143189e+00 -5.022143189e+00 3.08 -4.958740774e+00 -4.958740774e+00 3.10 -4.892993398e+00 -4.892993398e+00 3.12 -4.825117840e+00 -4.825117840e+00 3.14 -4.755312933e+00 -4.755312933e+00 3.16 -4.683750499e+00 -4.683750499e+00 3.18 -4.610593296e+00 -4.610593296e+00 3.20 -4.535984469e+00 -4.535984469e+00 3.22 -4.460002686e+00 -4.460002686e+00 3.24 -4.382742000e+00 -4.382742000e+00 3.26 -4.304337854e+00 -4.304337854e+00 3.28 -4.224964516e+00 -4.224964516e+00 3.30 -4.144828697e+00 -4.144828697e+00 3.32 -4.064159313e+00 -4.064159313e+00 3.34 -3.983194239e+00 -3.983194239e+00 3.36 -3.902165970e+00 -3.902165970e+00 3.38 -3.821288652e+00 -3.821288652e+00 3.40 -3.740747827e+00 -3.740747827e+00 3.42 -3.660700233e+00 -3.660700233e+00 3.44 -3.581268066e+00 -3.581268066e+00 3.46 -3.502548302e+00 -3.502548302e+00 3.48 -3.424618377e+00 -3.424618377e+00 3.50 -3.347543484e+00 -3.347543484e+00 3.52 -3.271382631e+00 -3.271382631e+00 3.54 -3.196192381e+00 -3.196192381e+00 3.56 -3.122027809e+00 -3.122027809e+00 3.58 -3.048940919e+00 -3.048940919e+00 3.60 -2.976977394e+00 -2.976977394e+00 3.62 -2.906172929e+00 -2.906172929e+00 3.64 -2.836550384e+00 -2.836550384e+00 3.66 -2.768118647e+00 -2.768118647e+00 3.68 -2.700873490e+00 -2.700873490e+00 3.70 -2.634800175e+00 -2.634800175e+00 3.72 -2.569877233e+00 -2.569877233e+00 3.74 -2.506080709e+00 -2.506080709e+00 3.76 -2.443388298e+00 -2.443388298e+00 3.78 -2.381782905e+00 -2.381782905e+00 3.80 -2.321255314e+00 -2.321255314e+00 3.82 -2.261805741e+00 -2.261805741e+00 3.84 -2.203444113e+00 -2.203444113e+00 3.86 -2.146189020e+00 -2.146189020e+00 3.88 -2.090065408e+00 -2.090065408e+00 3.90 -2.035101337e+00 -2.035101337e+00 3.92 -1.981322847e+00 -1.981322847e+00 3.94 -1.928756287e+00 -1.928756287e+00 3.96 -1.877416115e+00 -1.877416115e+00 3.98 -1.827309706e+00 -1.827309706e+00 4.00 -1.778435080e+00 -1.778435080e+00 4.02 -1.730781492e+00 -1.730781492e+00 4.04 -1.684330806e+00 -1.684330806e+00 4.06 -1.639059270e+00 -1.639059270e+00 4.08 -1.594939351e+00 -1.594939351e+00 4.10 -1.551936741e+00 -1.551936741e+00 4.12 -1.510031042e+00 -1.510031042e+00 4.14 -1.469186119e+00 -1.469186119e+00 4.16 -1.429372237e+00 -1.429372237e+00 4.18 -1.390560654e+00 -1.390560654e+00 4.20 -1.352723753e+00 -1.352723753e+00 4.22 -1.315835051e+00 -1.315835051e+00 4.24 -1.279869133e+00 -1.279869133e+00 4.26 -1.244801575e+00 -1.244801575e+00 4.28 -1.210608856e+00 -1.210608856e+00 4.30 -1.177268310e+00 -1.177268310e+00 4.32 -1.144758080e+00 -1.144758080e+00 4.34 -1.113057111e+00 -1.113057111e+00 4.36 -1.082145146e+00 -1.082145146e+00 4.38 -1.052002729e+00 -1.052002729e+00 4.40 -1.022611199e+00 -1.022611199e+00 4.42 -9.939526680e-01 -9.939526680e-01 4.44 -9.660099748e-01 -9.660099748e-01 4.46 -9.387666175e-01 -9.387666175e-01 4.48 -9.122066608e-01 -9.122066608e-01 4.50 -8.863146262e-01 -8.863146262e-01 4.52 -8.610753726e-01 -8.610753726e-01 4.54 -8.364739739e-01 -8.364739739e-01 4.56 -8.124956028e-01 -8.124956028e-01 4.58 -7.891254271e-01 -7.891254271e-01 4.60 -7.663485251e-01 -7.663485251e-01 4.62 -7.441498242e-01 -7.441498242e-01 4.64 -7.225140652e-01 -7.225140652e-01 4.66 -7.014257943e-01 -7.014257943e-01 4.68 -6.808693836e-01 -6.808693836e-01 4.70 -6.608290815e-01 -6.608290815e-01 4.72 -6.412890925e-01 -6.412890925e-01 4.74 -6.222336874e-01 -6.222336874e-01 4.76 -6.036473446e-01 -6.036473446e-01 4.78 -5.855149222e-01 -5.855149222e-01 4.80 -5.678187226e-01 -5.678187226e-01 4.82 -5.505518000e-01 -5.505518000e-01 4.84 -5.336977012e-01 -5.336977012e-01 4.86 -5.172450635e-01 -5.172450635e-01 4.88 -5.011840839e-01 -5.011840839e-01 4.90 -4.855067349e-01 -4.855067349e-01 4.92 -4.702069206e-01 -4.702069206e-01 4.94 -4.552805384e-01 -4.552805384e-01 4.96 -4.407254173e-01 -4.407254173e-01 4.98 -4.265411091e-01 -4.265411091e-01 5.00 -4.127285212e-01 -4.127285212e-01 5.02 -3.992894039e-01 -3.992894039e-01 5.04 -3.862257229e-01 -3.862257229e-01 5.06 -3.735389722e-01 -3.735389722e-01 5.08 -3.612294948e-01 -3.612294948e-01 5.10 -3.492958854e-01 -3.492958854e-01 5.12 -3.377345365e-01 -3.377345365e-01 5.14 -3.265393730e-01 -3.265393730e-01 5.16 -3.157017940e-01 -3.157017940e-01 5.18 -3.052108125e-01 -3.052108125e-01 5.20 -2.950533620e-01 -2.950533620e-01 5.22 -2.852147273e-01 -2.852147273e-01 5.24 -2.756790476e-01 -2.756790476e-01 5.26 -2.664298469e-01 -2.664298469e-01 5.28 -2.574505511e-01 -2.574505511e-01 5.30 -2.487249628e-01 -2.487249628e-01 5.32 -2.402376727e-01 -2.402376727e-01 5.34 -2.319743954e-01 -2.319743954e-01 5.36 -2.239222215e-01 -2.239222215e-01 5.38 -2.160697804e-01 -2.160697804e-01 5.40 -2.084073138e-01 -2.084073138e-01 5.42 -2.009266592e-01 -2.009266592e-01 5.44 -1.936211490e-01 -1.936211490e-01 5.46 -1.864854350e-01 -1.864854350e-01 5.48 -1.795152565e-01 -1.795152565e-01 5.50 -1.727071737e-01 -1.727071737e-01 5.52 -1.660582981e-01 -1.660582981e-01 5.54 -1.595660492e-01 -1.595660492e-01 5.56 -1.532279685e-01 -1.532279685e-01 5.58 -1.470416136e-01 -1.470416136e-01 5.60 -1.410045452e-01 -1.410045452e-01 5.62 -1.351144058e-01 -1.351144058e-01 5.64 -1.293690770e-01 -1.293690770e-01 5.66 -1.237668877e-01 -1.237668877e-01 5.68 -1.183068397e-01 -1.183068397e-01 5.70 -1.129888108e-01 -1.129888108e-01 5.72 -1.078136978e-01 -1.078136978e-01 5.74 -1.027834687e-01 -1.027834687e-01 5.76 -9.790110329e-02 -9.790110329e-02 5.78 -9.317041433e-02 -9.317041433e-02 5.80 -8.859575827e-02 -8.859575827e-02 5.82 -8.418165832e-02 -8.418165832e-02 5.84 -7.993237227e-02 -7.993237227e-02 5.86 -7.585145147e-02 -7.585145147e-02 5.88 -7.194133113e-02 -7.194133113e-02 5.90 -6.820299240e-02 -6.820299240e-02 5.92 -6.463567348e-02 -6.463567348e-02 5.94 -6.123660858e-02 -6.123660858e-02 5.96 -5.800140949e-02 -5.800140949e-02 5.98 -5.492434613e-02 -5.492434613e-02 6.00 -5.199815455e-02 -5.199815455e-02