# 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 = CoFeTi2 # 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 2.087650008e+02 2.087650008e+02 1.30 1.918934054e+02 1.918934054e+02 1.32 1.763626471e+02 1.763626471e+02 1.34 1.620566271e+02 1.620566271e+02 1.36 1.488708192e+02 1.488708192e+02 1.38 1.367120749e+02 1.367120749e+02 1.40 1.254970033e+02 1.254970033e+02 1.42 1.151501406e+02 1.151501406e+02 1.44 1.056029289e+02 1.056029289e+02 1.46 9.679340328e+01 9.679340328e+01 1.48 8.866574166e+01 8.866574166e+01 1.50 8.116924076e+01 8.116924076e+01 1.52 7.425699314e+01 7.425699314e+01 1.54 6.788487996e+01 6.788487996e+01 1.56 6.201126352e+01 6.201126352e+01 1.58 5.659714839e+01 5.659714839e+01 1.60 5.160633276e+01 5.160633276e+01 1.62 4.700537208e+01 4.700537208e+01 1.64 4.276340713e+01 4.276340713e+01 1.66 3.885189221e+01 3.885189221e+01 1.68 3.524430708e+01 3.524430708e+01 1.70 3.191601550e+01 3.191601550e+01 1.72 2.884432946e+01 2.884432946e+01 1.74 2.600870316e+01 2.600870316e+01 1.76 2.339105417e+01 2.339105417e+01 1.78 2.097539137e+01 2.097539137e+01 1.80 1.874697076e+01 1.874697076e+01 1.82 1.669216591e+01 1.669216591e+01 1.84 1.479854191e+01 1.479854191e+01 1.86 1.305466211e+01 1.305466211e+01 1.88 1.144989173e+01 1.144989173e+01 1.90 9.974215172e+00 9.974215172e+00 1.92 8.618096190e+00 8.618096190e+00 1.94 7.372417423e+00 7.372417423e+00 1.96 6.228512981e+00 6.228512981e+00 1.98 5.178257815e+00 5.178257815e+00 2.00 4.214140632e+00 4.214140632e+00 2.02 3.329273844e+00 3.329273844e+00 2.04 2.517353743e+00 2.517353743e+00 2.06 1.772615505e+00 1.772615505e+00 2.08 1.089812114e+00 1.089812114e+00 2.10 4.642093999e-01 4.642093999e-01 2.12 -1.084330852e-01 -1.084330852e-01 2.14 -6.319149975e-01 -6.319149975e-01 2.16 -1.109674225e+00 -1.109674225e+00 2.18 -1.544871308e+00 -1.544871308e+00 2.20 -1.940462805e+00 -1.940462805e+00 2.22 -2.299258286e+00 -2.299258286e+00 2.24 -2.623957673e+00 -2.623957673e+00 2.26 -2.917165542e+00 -2.917165542e+00 2.28 -3.181381641e+00 -3.181381641e+00 2.30 -3.418972647e+00 -3.418972647e+00 2.32 -3.632138578e+00 -3.632138578e+00 2.34 -3.822883412e+00 -3.822883412e+00 2.36 -3.993001470e+00 -3.993001470e+00 2.38 -4.144083200e+00 -4.144083200e+00 2.40 -4.277540132e+00 -4.277540132e+00 2.42 -4.394641534e+00 -4.394641534e+00 2.44 -4.496552137e+00 -4.496552137e+00 2.46 -4.584363431e+00 -4.584363431e+00 2.48 -4.659114605e+00 -4.659114605e+00 2.50 -4.721803261e+00 -4.721803261e+00 2.52 -4.773387995e+00 -4.773387995e+00 2.54 -4.814786688e+00 -4.814786688e+00 2.56 -4.846979058e+00 -4.846979058e+00 2.58 -4.870741621e+00 -4.870741621e+00 2.60 -4.886702246e+00 -4.886702246e+00 2.62 -4.895481797e+00 -4.895481797e+00 2.64 -4.897667447e+00 -4.897667447e+00 2.66 -4.893729351e+00 -4.893729351e+00 2.68 -4.884094827e+00 -4.884094827e+00 2.70 -4.869125719e+00 -4.869125719e+00 2.72 -4.848947219e+00 -4.848947219e+00 2.74 -4.823617084e+00 -4.823617084e+00 2.76 -4.793240698e+00 -4.793240698e+00 2.78 -4.757951759e+00 -4.757951759e+00 2.80 -4.717857523e+00 -4.717857523e+00 2.82 -4.673086573e+00 -4.673086573e+00 2.84 -4.623806575e+00 -4.623806575e+00 2.86 -4.570227026e+00 -4.570227026e+00 2.88 -4.512595747e+00 -4.512595747e+00 2.90 -4.451194357e+00 -4.451194357e+00 2.92 -4.386332662e+00 -4.386332662e+00 2.94 -4.318342463e+00 -4.318342463e+00 2.96 -4.247571834e+00 -4.247571834e+00 2.98 -4.174346869e+00 -4.174346869e+00 3.00 -4.098921855e+00 -4.098921855e+00 3.02 -4.021563652e+00 -4.021563652e+00 3.04 -3.942558715e+00 -3.942558715e+00 3.06 -3.862200076e+00 -3.862200076e+00 3.08 -3.780771094e+00 -3.780771094e+00 3.10 -3.698531471e+00 -3.698531471e+00 3.12 -3.615708038e+00 -3.615708038e+00 3.14 -3.532493629e+00 -3.532493629e+00 3.16 -3.449052393e+00 -3.449052393e+00 3.18 -3.365530387e+00 -3.365530387e+00 3.20 -3.282066844e+00 -3.282066844e+00 3.22 -3.198803711e+00 -3.198803711e+00 3.24 -3.115891626e+00 -3.115891626e+00 3.26 -3.033491756e+00 -3.033491756e+00 3.28 -2.951773818e+00 -2.951773818e+00 3.30 -2.870911145e+00 -2.870911145e+00 3.32 -2.791073969e+00 -2.791073969e+00 3.34 -2.712422196e+00 -2.712422196e+00 3.36 -2.635098859e+00 -2.635098859e+00 3.38 -2.559225277e+00 -2.559225277e+00 3.40 -2.484898540e+00 -2.484898540e+00 3.42 -2.412191789e+00 -2.412191789e+00 3.44 -2.341156642e+00 -2.341156642e+00 3.46 -2.271827871e+00 -2.271827871e+00 3.48 -2.204228879e+00 -2.204228879e+00 3.50 -2.138377079e+00 -2.138377079e+00 3.52 -2.074287987e+00 -2.074287987e+00 3.54 -2.011977077e+00 -2.011977077e+00 3.56 -1.951459012e+00 -1.951459012e+00 3.58 -1.892744525e+00 -1.892744525e+00 3.60 -1.835835939e+00 -1.835835939e+00 3.62 -1.780722739e+00 -1.780722739e+00 3.64 -1.727378552e+00 -1.727378552e+00 3.66 -1.675760370e+00 -1.675760370e+00 3.68 -1.625810170e+00 -1.625810170e+00 3.70 -1.577458377e+00 -1.577458377e+00 3.72 -1.530628331e+00 -1.530628331e+00 3.74 -1.485240834e+00 -1.485240834e+00 3.76 -1.441218106e+00 -1.441218106e+00 3.78 -1.398486776e+00 -1.398486776e+00 3.80 -1.356979793e+00 -1.356979793e+00 3.82 -1.316637351e+00 -1.316637351e+00 3.84 -1.277407025e+00 -1.277407025e+00 3.86 -1.239243327e+00 -1.239243327e+00 3.88 -1.202106914e+00 -1.202106914e+00 3.90 -1.165963603e+00 -1.165963603e+00 3.92 -1.130783302e+00 -1.130783302e+00 3.94 -1.096539253e+00 -1.096539253e+00 3.96 -1.063206830e+00 -1.063206830e+00 3.98 -1.030763069e+00 -1.030763069e+00 4.00 -9.991860404e-01 -9.991860404e-01 4.02 -9.684544511e-01 -9.684544511e-01 4.04 -9.385473842e-01 -9.385473842e-01 4.06 -9.094441794e-01 -9.094441794e-01 4.08 -8.811244326e-01 -8.811244326e-01 4.10 -8.535679783e-01 -8.535679783e-01 4.12 -8.267556222e-01 -8.267556222e-01 4.14 -8.006685804e-01 -8.006685804e-01 4.16 -7.752893933e-01 -7.752893933e-01 4.18 -7.506021042e-01 -7.506021042e-01 4.20 -7.265925586e-01 -7.265925586e-01 4.22 -7.032486084e-01 -7.032486084e-01 4.24 -6.805601623e-01 -6.805601623e-01 4.26 -6.585190318e-01 -6.585190318e-01 4.28 -6.371185468e-01 -6.371185468e-01 4.30 -6.163529531e-01 -6.163529531e-01 4.32 -5.962166515e-01 -5.962166515e-01 4.34 -5.767033717e-01 -5.767033717e-01 4.36 -5.578054010e-01 -5.578054010e-01 4.38 -5.395129766e-01 -5.395129766e-01 4.40 -5.218139195e-01 -5.218139195e-01 4.42 -5.046935386e-01 -5.046935386e-01 4.44 -4.881347833e-01 -4.881347833e-01 4.46 -4.721185854e-01 -4.721185854e-01 4.48 -4.566243100e-01 -4.566243100e-01 4.50 -4.416302412e-01 -4.416302412e-01 4.52 -4.271140377e-01 -4.271140377e-01 4.54 -4.130531215e-01 -4.130531215e-01 4.56 -3.994249814e-01 -3.994249814e-01 4.58 -3.862073905e-01 -3.862073905e-01 4.60 -3.733785536e-01 -3.733785536e-01 4.62 -3.609172003e-01 -3.609172003e-01 4.64 -3.488026487e-01 -3.488026487e-01 4.66 -3.370148595e-01 -3.370148595e-01 4.68 -3.255345014e-01 -3.255345014e-01 4.70 -3.143430438e-01 -3.143430438e-01 4.72 -3.034228920e-01 -3.034228920e-01 4.74 -2.927575726e-01 -2.927575726e-01 4.76 -2.823319764e-01 -2.823319764e-01 4.78 -2.721326569e-01 -2.721326569e-01 4.80 -2.621480920e-01 -2.621480920e-01 4.82 -2.523694037e-01 -2.523694037e-01 4.84 -2.427901920e-01 -2.427901920e-01 4.86 -2.334072506e-01 -2.334072506e-01 4.88 -2.242207207e-01 -2.242207207e-01 4.90 -2.152342090e-01 -2.152342090e-01 4.92 -2.064547225e-01 -2.064547225e-01 4.94 -1.978923806e-01 -1.978923806e-01 4.96 -1.895598892e-01 -1.895598892e-01 4.98 -1.814717830e-01 -1.814717830e-01 5.00 -1.736434793e-01 -1.736434793e-01 5.02 -1.660902088e-01 -1.660902088e-01 5.04 -1.588259191e-01 -1.588259191e-01 5.06 -1.518622449e-01 -1.518622449e-01 5.08 -1.452076490e-01 -1.452076490e-01 5.10 -1.388668040e-01 -1.388668040e-01 5.12 -1.328402605e-01 -1.328402605e-01 5.14 -1.271243052e-01 -1.271243052e-01 5.16 -1.217109994e-01 -1.217109994e-01 5.18 -1.165896468e-01 -1.165896468e-01 5.20 -1.117466358e-01 -1.117466358e-01 5.22 -1.071660460e-01 -1.071660460e-01 5.24 -1.028303768e-01 -1.028303768e-01 5.26 -9.872122137e-02 -9.872122137e-02 5.28 -9.481985060e-02 -9.481985060e-02 5.30 -9.110768618e-02 -9.110768618e-02 5.32 -8.756666130e-02 -8.756666130e-02 5.34 -8.417947561e-02 -8.417947561e-02 5.36 -8.092975925e-02 -8.092975925e-02 5.38 -7.780216431e-02 -7.780216431e-02 5.40 -7.478240250e-02 -7.478240250e-02 5.42 -7.185724729e-02 -7.185724729e-02 5.44 -6.901451630e-02 -6.901451630e-02 5.46 -6.624304769e-02 -6.624304769e-02 5.48 -6.353268129e-02 -6.353268129e-02 5.50 -6.087425277e-02 -6.087425277e-02 5.52 -5.825960674e-02 -5.825960674e-02 5.54 -5.568163200e-02 -5.568163200e-02 5.56 -5.313431977e-02 -5.313431977e-02 5.58 -5.061284296e-02 -5.061284296e-02 5.60 -4.811365161e-02 -4.811365161e-02 5.62 -4.563457668e-02 -4.563457668e-02 5.64 -4.317493101e-02 -4.317493101e-02 5.66 -4.073559382e-02 -4.073559382e-02 5.68 -3.831906255e-02 -3.831906255e-02 5.70 -3.592945545e-02 -3.592945545e-02 5.72 -3.357244910e-02 -3.357244910e-02 5.74 -3.125513861e-02 -3.125513861e-02 5.76 -2.898581390e-02 -2.898581390e-02 5.78 -2.677365422e-02 -2.677365422e-02 5.80 -2.462834950e-02 -2.462834950e-02 5.82 -2.255967251e-02 -2.255967251e-02 5.84 -2.057702900e-02 -2.057702900e-02 5.86 -1.868901853e-02 -1.868901853e-02 5.88 -1.690304050e-02 -1.690304050e-02 5.90 -1.522497556e-02 -1.522497556e-02 5.92 -1.365884549e-02 -1.365884549e-02 5.94 -1.220666011e-02 -1.220666011e-02 5.96 -1.086905688e-02 -1.086905688e-02 5.98 -9.644881649e-03 -9.644881649e-03 6.00 -8.531337825e-03 -8.531337825e-03