# 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 = Fe2MgPd # 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 2.893948674e+02 2.893948674e+02 1.30 2.660483119e+02 2.660483119e+02 1.32 2.445641283e+02 2.445641283e+02 1.34 2.247874281e+02 2.247874281e+02 1.36 2.065776072e+02 2.065776072e+02 1.38 1.898052487e+02 1.898052487e+02 1.40 1.743507962e+02 1.743507962e+02 1.42 1.601047165e+02 1.601047165e+02 1.44 1.469680283e+02 1.469680283e+02 1.46 1.348521051e+02 1.348521051e+02 1.48 1.236774339e+02 1.236774339e+02 1.50 1.133718035e+02 1.133718035e+02 1.52 1.038685916e+02 1.038685916e+02 1.54 9.510555815e+01 9.510555815e+01 1.56 8.702420667e+01 8.702420667e+01 1.58 7.956960738e+01 7.956960738e+01 1.60 7.269049201e+01 7.269049201e+01 1.62 6.633955670e+01 6.633955670e+01 1.64 6.048850962e+01 6.048850962e+01 1.66 5.510664017e+01 5.510664017e+01 1.68 5.015730924e+01 5.015730924e+01 1.70 4.560748236e+01 4.560748236e+01 1.72 4.142691776e+01 4.142691776e+01 1.74 3.758752343e+01 3.758752343e+01 1.76 3.406295354e+01 3.406295354e+01 1.78 3.082845141e+01 3.082845141e+01 1.80 2.786083020e+01 2.786083020e+01 1.82 2.513847662e+01 2.513847662e+01 1.84 2.264131792e+01 2.264131792e+01 1.86 2.035077590e+01 2.035077590e+01 1.88 1.824972976e+01 1.824972976e+01 1.90 1.632249048e+01 1.632249048e+01 1.92 1.455474793e+01 1.455474793e+01 1.94 1.293346919e+01 1.293346919e+01 1.96 1.144674892e+01 1.144674892e+01 1.98 1.008364964e+01 1.008364964e+01 2.00 8.834069672e+00 8.834069672e+00 2.02 7.688662774e+00 7.688662774e+00 2.04 6.638809866e+00 6.638809866e+00 2.06 5.676619176e+00 5.676619176e+00 2.08 4.794924304e+00 4.794924304e+00 2.10 3.987258871e+00 3.987258871e+00 2.12 3.247804366e+00 3.247804366e+00 2.14 2.571317465e+00 2.571317465e+00 2.16 1.953050593e+00 1.953050593e+00 2.18 1.388674823e+00 1.388674823e+00 2.20 8.742142498e-01 8.742142498e-01 2.22 4.059937101e-01 4.059937101e-01 2.24 -1.939747408e-02 -1.939747408e-02 2.26 -4.051292036e-01 -4.051292036e-01 2.28 -7.541474290e-01 -7.541474290e-01 2.30 -1.069187843e+00 -1.069187843e+00 2.32 -1.352793633e+00 -1.352793633e+00 2.34 -1.607332677e+00 -1.607332677e+00 2.36 -1.835017880e+00 -1.835017880e+00 2.38 -2.037924223e+00 -2.037924223e+00 2.40 -2.218002635e+00 -2.218002635e+00 2.42 -2.377090954e+00 -2.377090954e+00 2.44 -2.516921926e+00 -2.516921926e+00 2.46 -2.639144668e+00 -2.639144668e+00 2.48 -2.745680859e+00 -2.745680859e+00 2.50 -2.837936750e+00 -2.837936750e+00 2.52 -2.917024600e+00 -2.917024600e+00 2.54 -2.983984995e+00 -2.983984995e+00 2.56 -3.039789504e+00 -3.039789504e+00 2.58 -3.085331504e+00 -3.085331504e+00 2.60 -3.121425035e+00 -3.121425035e+00 2.62 -3.148835619e+00 -3.148835619e+00 2.64 -3.168308798e+00 -3.168308798e+00 2.66 -3.180362650e+00 -3.180362650e+00 2.68 -3.185249371e+00 -3.185249371e+00 2.70 -3.183222516e+00 -3.183222516e+00 2.72 -3.174555728e+00 -3.174555728e+00 2.74 -3.159541493e+00 -3.159541493e+00 2.76 -3.138493417e+00 -3.138493417e+00 2.78 -3.111750845e+00 -3.111750845e+00 2.80 -3.079684993e+00 -3.079684993e+00 2.82 -3.042702821e+00 -3.042702821e+00 2.84 -3.001249411e+00 -3.001249411e+00 2.86 -2.955805087e+00 -2.955805087e+00 2.88 -2.906877217e+00 -2.906877217e+00 2.90 -2.854986555e+00 -2.854986555e+00 2.92 -2.800649259e+00 -2.800649259e+00 2.94 -2.744356802e+00 -2.744356802e+00 2.96 -2.686556749e+00 -2.686556749e+00 2.98 -2.627637472e+00 -2.627637472e+00 3.00 -2.567925555e+00 -2.567925555e+00 3.02 -2.507693701e+00 -2.507693701e+00 3.04 -2.447095013e+00 -2.447095013e+00 3.06 -2.386228469e+00 -2.386228469e+00 3.08 -2.325158555e+00 -2.325158555e+00 3.10 -2.263930001e+00 -2.263930001e+00 3.12 -2.202576303e+00 -2.202576303e+00 3.14 -2.141068668e+00 -2.141068668e+00 3.16 -2.079345508e+00 -2.079345508e+00 3.18 -2.017384150e+00 -2.017384150e+00 3.20 -1.955208303e+00 -1.955208303e+00 3.22 -1.892892006e+00 -1.892892006e+00 3.24 -1.830560955e+00 -1.830560955e+00 3.26 -1.768390431e+00 -1.768390431e+00 3.28 -1.706599229e+00 -1.706599229e+00 3.30 -1.645439427e+00 -1.645439427e+00 3.32 -1.585182531e+00 -1.585182531e+00 3.34 -1.526103284e+00 -1.526103284e+00 3.36 -1.468463011e+00 -1.468463011e+00 3.38 -1.412494520e+00 -1.412494520e+00 3.40 -1.358390245e+00 -1.358390245e+00 3.42 -1.306295096e+00 -1.306295096e+00 3.44 -1.256303306e+00 -1.256303306e+00 3.46 -1.208460186e+00 -1.208460186e+00 3.48 -1.162766798e+00 -1.162766798e+00 3.50 -1.119186827e+00 -1.119186827e+00 3.52 -1.077654460e+00 -1.077654460e+00 3.54 -1.038082321e+00 -1.038082321e+00 3.56 -1.000368799e+00 -1.000368799e+00 3.58 -9.644043493e-01 -9.644043493e-01 3.60 -9.300765807e-01 -9.300765807e-01 3.62 -8.972741401e-01 -8.972741401e-01 3.64 -8.658894819e-01 -8.658894819e-01 3.66 -8.358206991e-01 -8.358206991e-01 3.68 -8.069726052e-01 -8.069726052e-01 3.70 -7.792572482e-01 -7.792572482e-01 3.72 -7.525940221e-01 -7.525940221e-01 3.74 -7.269095088e-01 -7.269095088e-01 3.76 -7.021371485e-01 -7.021371485e-01 3.78 -6.782168106e-01 -6.782168106e-01 3.80 -6.550943034e-01 -6.550943034e-01 3.82 -6.327208459e-01 -6.327208459e-01 3.84 -6.110525127e-01 -6.110525127e-01 3.86 -5.900496673e-01 -5.900496673e-01 3.88 -5.696764123e-01 -5.696764123e-01 3.90 -5.499001023e-01 -5.499001023e-01 3.92 -5.306908841e-01 -5.306908841e-01 3.94 -5.120219154e-01 -5.120219154e-01 3.96 -4.938687619e-01 -4.938687619e-01 3.98 -4.762100988e-01 -4.762100988e-01 4.00 -4.590280026e-01 -4.590280026e-01 4.02 -4.423084324e-01 -4.423084324e-01 4.04 -4.260416518e-01 -4.260416518e-01 4.06 -4.102224603e-01 -4.102224603e-01 4.08 -3.948501110e-01 -3.948501110e-01 4.10 -3.799274938e-01 -3.799274938e-01 4.12 -3.654616953e-01 -3.654616953e-01 4.14 -3.514604547e-01 -3.514604547e-01 4.16 -3.379322770e-01 -3.379322770e-01 4.18 -3.248844133e-01 -3.248844133e-01 4.20 -3.123213806e-01 -3.123213806e-01 4.22 -3.002437671e-01 -3.002437671e-01 4.24 -2.886474552e-01 -2.886474552e-01 4.26 -2.775232917e-01 -2.775232917e-01 4.28 -2.668572264e-01 -2.668572264e-01 4.30 -2.566308349e-01 -2.566308349e-01 4.32 -2.468220044e-01 -2.468220044e-01 4.34 -2.374049188e-01 -2.374049188e-01 4.36 -2.283536541e-01 -2.283536541e-01 4.38 -2.196414681e-01 -2.196414681e-01 4.40 -2.112410405e-01 -2.112410405e-01 4.42 -2.031252823e-01 -2.031252823e-01 4.44 -1.952679529e-01 -1.952679529e-01 4.46 -1.876441218e-01 -1.876441218e-01 4.48 -1.802305189e-01 -1.802305189e-01 4.50 -1.730058141e-01 -1.730058141e-01 4.52 -1.659508604e-01 -1.659508604e-01 4.54 -1.590489260e-01 -1.590489260e-01 4.56 -1.522859285e-01 -1.522859285e-01 4.58 -1.456506763e-01 -1.456506763e-01 4.60 -1.391351068e-01 -1.391351068e-01 4.62 -1.327345031e-01 -1.327345031e-01 4.64 -1.264476594e-01 -1.264476594e-01 4.66 -1.202769568e-01 -1.202769568e-01 4.68 -1.142283136e-01 -1.142283136e-01 4.70 -1.083109710e-01 -1.083109710e-01 4.72 -1.025370916e-01 -1.025370916e-01 4.74 -9.692116131e-02 -9.692116131e-02 4.76 -9.147921133e-02 -9.147921133e-02 4.78 -8.622790078e-02 -8.622790078e-02 4.80 -8.118331871e-02 -8.118331871e-02 4.82 -7.636085758e-02 -7.636085758e-02 4.84 -7.177296152e-02 -7.177296152e-02 4.86 -6.742934303e-02 -6.742934303e-02 4.88 -6.333624883e-02 -6.333624883e-02 4.90 -5.949619944e-02 -5.949619944e-02 4.92 -5.590799450e-02 -5.590799450e-02 4.94 -5.256694546e-02 -5.256694546e-02 4.96 -4.946528671e-02 -4.946528671e-02 4.98 -4.659270652e-02 -4.659270652e-02 5.00 -4.393693777e-02 -4.393693777e-02 5.02 -4.148435496e-02 -4.148435496e-02 5.04 -3.922053493e-02 -3.922053493e-02 5.06 -3.713075198e-02 -3.713075198e-02 5.08 -3.520039145e-02 -3.520039145e-02 5.10 -3.341527426e-02 -3.341527426e-02 5.12 -3.176189803e-02 -3.176189803e-02 5.14 -3.022760202e-02 -3.022760202e-02 5.16 -2.880066679e-02 -2.880066679e-02 5.18 -2.747036146e-02 -2.747036146e-02 5.20 -2.622695085e-02 -2.622695085e-02 5.22 -2.506167336e-02 -2.506167336e-02 5.24 -2.396669913e-02 -2.396669913e-02 5.26 -2.293507573e-02 -2.293507573e-02 5.28 -2.196066722e-02 -2.196066722e-02 5.30 -2.103809054e-02 -2.103809054e-02 5.32 -2.016265178e-02 -2.016265178e-02 5.34 -1.933028375e-02 -1.933028375e-02 5.36 -1.853748526e-02 -1.853748526e-02 5.38 -1.778121130e-02 -1.778121130e-02 5.40 -1.705887898e-02 -1.705887898e-02 5.42 -1.636835696e-02 -1.636835696e-02 5.44 -1.570784353e-02 -1.570784353e-02 5.46 -1.507581073e-02 -1.507581073e-02 5.48 -1.447094934e-02 -1.447094934e-02 5.50 -1.389211602e-02 -1.389211602e-02 5.52 -1.333828419e-02 -1.333828419e-02 5.54 -1.280850038e-02 -1.280850038e-02 5.56 -1.230184783e-02 -1.230184783e-02 5.58 -1.181741824e-02 -1.181741824e-02 5.60 -1.135429226e-02 -1.135429226e-02 5.62 -1.091152847e-02 -1.091152847e-02 5.64 -1.048815977e-02 -1.048815977e-02 5.66 -1.008319582e-02 -1.008319582e-02 5.68 -9.695629835e-03 -9.695629835e-03 5.70 -9.324447889e-03 -9.324447889e-03 5.72 -8.968639250e-03 -8.968639250e-03 5.74 -8.627206499e-03 -8.627206499e-03 5.76 -8.299174534e-03 -8.299174534e-03 5.78 -7.983597978e-03 -7.983597978e-03 5.80 -7.679566782e-03 -7.679566782e-03 5.82 -7.386210097e-03 -7.386210097e-03 5.84 -7.102698645e-03 -7.102698645e-03 5.86 -6.828245895e-03 -6.828245895e-03 5.88 -6.562108443e-03 -6.562108443e-03 5.90 -6.303585945e-03 -6.303585945e-03 5.92 -6.052020974e-03 -6.052020974e-03 5.94 -5.806799098e-03 -5.806799098e-03 5.96 -5.567349440e-03 -5.567349440e-03 5.98 -5.333145928e-03 -5.333145928e-03 6.00 -5.103709367e-03 -5.103709367e-03