# 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 = MgPb2W # 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 5.029204536e+02 5.029204536e+02 1.30 4.686718042e+02 4.686718042e+02 1.32 4.368664321e+02 4.368664321e+02 1.34 4.073108790e+02 4.073108790e+02 1.36 3.798316138e+02 3.798316138e+02 1.38 3.542723951e+02 3.542723951e+02 1.40 3.304914732e+02 3.304914732e+02 1.42 3.083587195e+02 3.083587195e+02 1.44 2.877530417e+02 2.877530417e+02 1.46 2.685606618e+02 2.685606618e+02 1.48 2.506746073e+02 2.506746073e+02 1.50 2.339951894e+02 2.339951894e+02 1.52 2.184307302e+02 2.184307302e+02 1.54 2.038978993e+02 2.038978993e+02 1.56 1.903212981e+02 1.903212981e+02 1.58 1.776325432e+02 1.776325432e+02 1.60 1.657691525e+02 1.657691525e+02 1.62 1.546735846e+02 1.546735846e+02 1.64 1.442924942e+02 1.442924942e+02 1.66 1.345762872e+02 1.345762872e+02 1.68 1.254788808e+02 1.254788808e+02 1.70 1.169575958e+02 1.169575958e+02 1.72 1.089731566e+02 1.089731566e+02 1.74 1.014901259e+02 1.014901259e+02 1.76 9.447665982e+01 9.447665982e+01 1.78 8.790401376e+01 8.790401376e+01 1.80 8.174664913e+01 8.174664913e+01 1.82 7.599146016e+01 7.599146016e+01 1.84 7.062239670e+01 7.062239670e+01 1.86 6.561700308e+01 6.561700308e+01 1.88 6.095319672e+01 6.095319672e+01 1.90 5.660913470e+01 5.660913470e+01 1.92 5.256333071e+01 5.256333071e+01 1.94 4.879495067e+01 4.879495067e+01 1.96 4.528409794e+01 4.528409794e+01 1.98 4.201203356e+01 4.201203356e+01 2.00 3.896127699e+01 3.896127699e+01 2.02 3.611560933e+01 3.611560933e+01 2.04 3.346001531e+01 3.346001531e+01 2.06 3.098060577e+01 3.098060577e+01 2.08 2.866454774e+01 2.866454774e+01 2.10 2.649999696e+01 2.649999696e+01 2.12 2.447605313e+01 2.447605313e+01 2.14 2.258271039e+01 2.258271039e+01 2.16 2.081081701e+01 2.081081701e+01 2.18 1.915203404e+01 1.915203404e+01 2.20 1.759878139e+01 1.759878139e+01 2.22 1.614417590e+01 1.614417590e+01 2.24 1.478195743e+01 1.478195743e+01 2.26 1.350641133e+01 1.350641133e+01 2.28 1.231229484e+01 1.231229484e+01 2.30 1.119476584e+01 1.119476584e+01 2.32 1.014931482e+01 1.014931482e+01 2.34 9.171748507e+00 9.171748507e+00 2.36 8.258141977e+00 8.258141977e+00 2.38 7.404631774e+00 7.404631774e+00 2.40 6.607539426e+00 6.607539426e+00 2.42 5.863369768e+00 5.863369768e+00 2.44 5.168808545e+00 5.168808545e+00 2.46 4.520730869e+00 4.520730869e+00 2.48 3.916211724e+00 3.916211724e+00 2.50 3.352535420e+00 3.352535420e+00 2.52 2.827305527e+00 2.827305527e+00 2.54 2.338423896e+00 2.338423896e+00 2.56 1.883914389e+00 1.883914389e+00 2.58 1.461904908e+00 1.461904908e+00 2.60 1.070618586e+00 1.070618586e+00 2.62 7.083664299e-01 7.083664299e-01 2.64 3.735339644e-01 3.735339644e-01 2.66 6.458285233e-02 6.458285233e-02 2.68 -2.199612589e-01 -2.199612589e-01 2.70 -4.815113963e-01 -4.815113963e-01 2.72 -7.214219530e-01 -7.214219530e-01 2.74 -9.409898013e-01 -9.409898013e-01 2.76 -1.141454247e+00 -1.141454247e+00 2.78 -1.323996208e+00 -1.323996208e+00 2.80 -1.489738826e+00 -1.489738826e+00 2.82 -1.639746101e+00 -1.639746101e+00 2.84 -1.775025360e+00 -1.775025360e+00 2.86 -1.896529292e+00 -1.896529292e+00 2.88 -2.005159149e+00 -2.005159149e+00 2.90 -2.101768400e+00 -2.101768400e+00 2.92 -2.187166403e+00 -2.187166403e+00 2.94 -2.262121623e+00 -2.262121623e+00 2.96 -2.327364052e+00 -2.327364052e+00 2.98 -2.383586635e+00 -2.383586635e+00 3.00 -2.431445735e+00 -2.431445735e+00 3.02 -2.471560898e+00 -2.471560898e+00 3.04 -2.504513659e+00 -2.504513659e+00 3.06 -2.530850148e+00 -2.530850148e+00 3.08 -2.551076838e+00 -2.551076838e+00 3.10 -2.565664955e+00 -2.565664955e+00 3.12 -2.575049892e+00 -2.575049892e+00 3.14 -2.579639480e+00 -2.579639480e+00 3.16 -2.579805376e+00 -2.579805376e+00 3.18 -2.575890606e+00 -2.575890606e+00 3.20 -2.568206768e+00 -2.568206768e+00 3.22 -2.557032375e+00 -2.557032375e+00 3.24 -2.542611324e+00 -2.542611324e+00 3.26 -2.525152657e+00 -2.525152657e+00 3.28 -2.504860611e+00 -2.504860611e+00 3.30 -2.481976368e+00 -2.481976368e+00 3.32 -2.456505911e+00 -2.456505911e+00 3.34 -2.428412658e+00 -2.428412658e+00 3.36 -2.397688064e+00 -2.397688064e+00 3.38 -2.364359159e+00 -2.364359159e+00 3.40 -2.328493943e+00 -2.328493943e+00 3.42 -2.290168460e+00 -2.290168460e+00 3.44 -2.249464712e+00 -2.249464712e+00 3.46 -2.206514418e+00 -2.206514418e+00 3.48 -2.161513712e+00 -2.161513712e+00 3.50 -2.114720961e+00 -2.114720961e+00 3.52 -2.066442539e+00 -2.066442539e+00 3.54 -2.017016247e+00 -2.017016247e+00 3.56 -1.966793800e+00 -1.966793800e+00 3.58 -1.916124043e+00 -1.916124043e+00 3.60 -1.865338384e+00 -1.865338384e+00 3.62 -1.814739519e+00 -1.814739519e+00 3.64 -1.764593969e+00 -1.764593969e+00 3.66 -1.715128364e+00 -1.715128364e+00 3.68 -1.666528943e+00 -1.666528943e+00 3.70 -1.618943448e+00 -1.618943448e+00 3.72 -1.572484507e+00 -1.572484507e+00 3.74 -1.527233679e+00 -1.527233679e+00 3.76 -1.483245564e+00 -1.483245564e+00 3.78 -1.440551646e+00 -1.440551646e+00 3.80 -1.399163744e+00 -1.399163744e+00 3.82 -1.359077135e+00 -1.359077135e+00 3.84 -1.320273447e+00 -1.320273447e+00 3.86 -1.282723399e+00 -1.282723399e+00 3.88 -1.246389402e+00 -1.246389402e+00 3.90 -1.211227987e+00 -1.211227987e+00 3.92 -1.177191032e+00 -1.177191032e+00 3.94 -1.144231677e+00 -1.144231677e+00 3.96 -1.112299520e+00 -1.112299520e+00 3.98 -1.081346291e+00 -1.081346291e+00 4.00 -1.051325558e+00 -1.051325558e+00 4.02 -1.022193324e+00 -1.022193324e+00 4.04 -9.939083938e-01 -9.939083938e-01 4.06 -9.664325333e-01 -9.664325333e-01 4.08 -9.397304797e-01 -9.397304797e-01 4.10 -9.137671560e-01 -9.137671560e-01 4.12 -8.885187030e-01 -8.885187030e-01 4.14 -8.639546147e-01 -8.639546147e-01 4.16 -8.400498784e-01 -8.400498784e-01 4.18 -8.167814521e-01 -8.167814521e-01 4.20 -7.941280344e-01 -7.941280344e-01 4.22 -7.720698558e-01 -7.720698558e-01 4.24 -7.505884945e-01 -7.505884945e-01 4.26 -7.296667190e-01 -7.296667190e-01 4.28 -7.092883537e-01 -7.092883537e-01 4.30 -6.894381659e-01 -6.894381659e-01 4.32 -6.701017701e-01 -6.701017701e-01 4.34 -6.512655454e-01 -6.512655454e-01 4.36 -6.329165619e-01 -6.329165619e-01 4.38 -6.150425139e-01 -6.150425139e-01 4.40 -5.976316560e-01 -5.976316560e-01 4.42 -5.806727414e-01 -5.806727414e-01 4.44 -5.641549610e-01 -5.641549610e-01 4.46 -5.480678841e-01 -5.480678841e-01 4.48 -5.324013998e-01 -5.324013998e-01 4.50 -5.171456614e-01 -5.171456614e-01 4.52 -5.022910343e-01 -5.022910343e-01 4.54 -4.878280494e-01 -4.878280494e-01 4.56 -4.737473617e-01 -4.737473617e-01 4.58 -4.600397168e-01 -4.600397168e-01 4.60 -4.466959247e-01 -4.466959247e-01 4.62 -4.337068411e-01 -4.337068411e-01 4.64 -4.210633575e-01 -4.210633575e-01 4.66 -4.087563968e-01 -4.087563968e-01 4.68 -3.967769161e-01 -3.967769161e-01 4.70 -3.851159140e-01 -3.851159140e-01 4.72 -3.737644410e-01 -3.737644410e-01 4.74 -3.627136121e-01 -3.627136121e-01 4.76 -3.519546197e-01 -3.519546197e-01 4.78 -3.414787457e-01 -3.414787457e-01 4.80 -3.312756694e-01 -3.312756694e-01 4.82 -3.213405631e-01 -3.213405631e-01 4.84 -3.116630150e-01 -3.116630150e-01 4.86 -3.022347678e-01 -3.022347678e-01 4.88 -2.930476966e-01 -2.930476966e-01 4.90 -2.840938206e-01 -2.840938206e-01 4.92 -2.753653187e-01 -2.753653187e-01 4.94 -2.668545520e-01 -2.668545520e-01 4.96 -2.585540945e-01 -2.585540945e-01 4.98 -2.504567726e-01 -2.504567726e-01 5.00 -2.425557151e-01 -2.425557151e-01 5.02 -2.348444137e-01 -2.348444137e-01 5.04 -2.273167912e-01 -2.273167912e-01 5.06 -2.199672784e-01 -2.199672784e-01 5.08 -2.127908930e-01 -2.127908930e-01 5.10 -2.057833180e-01 -2.057833180e-01 5.12 -1.989409720e-01 -1.989409720e-01 5.14 -1.922610665e-01 -1.922610665e-01 5.16 -1.857416380e-01 -1.857416380e-01 5.18 -1.793815513e-01 -1.793815513e-01 5.20 -1.731804663e-01 -1.731804663e-01 5.22 -1.671387639e-01 -1.671387639e-01 5.24 -1.612574270e-01 -1.612574270e-01 5.26 -1.555378820e-01 -1.555378820e-01 5.28 -1.499818062e-01 -1.499818062e-01 5.30 -1.445909130e-01 -1.445909130e-01 5.32 -1.393667274e-01 -1.393667274e-01 5.34 -1.343103684e-01 -1.343103684e-01 5.36 -1.294223554e-01 -1.294223554e-01 5.38 -1.247024499e-01 -1.247024499e-01 5.40 -1.201495425e-01 -1.201495425e-01 5.42 -1.157615897e-01 -1.157615897e-01 5.44 -1.115355990e-01 -1.115355990e-01 5.46 -1.074676580e-01 -1.074676580e-01 5.48 -1.035530001e-01 -1.035530001e-01 5.50 -9.978609725e-02 -9.978609725e-02 5.52 -9.616070947e-02 -9.616070947e-02 5.54 -9.266986386e-02 -9.266986386e-02 5.56 -8.930652652e-02 -8.930652652e-02 5.58 -8.606339519e-02 -8.606339519e-02 5.60 -8.293296831e-02 -8.293296831e-02 5.62 -7.990766004e-02 -7.990766004e-02 5.64 -7.697990492e-02 -7.697990492e-02 5.66 -7.414225195e-02 -7.414225195e-02 5.68 -7.138744817e-02 -7.138744817e-02 5.70 -6.870851248e-02 -6.870851248e-02 5.72 -6.609880076e-02 -6.609880076e-02 5.74 -6.355206376e-02 -6.355206376e-02 5.76 -6.106249910e-02 -6.106249910e-02 5.78 -5.862479905e-02 -5.862479905e-02 5.80 -5.623419522e-02 -5.623419522e-02 5.82 -5.388650115e-02 -5.388650115e-02 5.84 -5.157815300e-02 -5.157815300e-02 5.86 -4.930624804e-02 -4.930624804e-02 5.88 -4.706857980e-02 -4.706857980e-02 5.90 -4.486366797e-02 -4.486366797e-02 5.92 -4.269078045e-02 -4.269078045e-02 5.94 -4.054994483e-02 -4.054994483e-02 5.96 -3.844194629e-02 -3.844194629e-02 5.98 -3.636830261e-02 -3.636830261e-02 6.00 -3.433122471e-02 -3.433122471e-02