# 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 = AuFe2Ni # 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 2.035722542e+02 2.035722542e+02 1.30 1.864399292e+02 1.864399292e+02 1.32 1.707040686e+02 1.707040686e+02 1.34 1.562448131e+02 1.562448131e+02 1.36 1.429546064e+02 1.429546064e+02 1.38 1.307368981e+02 1.307368981e+02 1.40 1.195042621e+02 1.195042621e+02 1.42 1.091765832e+02 1.091765832e+02 1.44 9.967996912e+01 9.967996912e+01 1.46 9.094634370e+01 9.094634370e+01 1.48 8.291332697e+01 8.291332697e+01 1.50 7.552405012e+01 7.552405012e+01 1.52 6.872671361e+01 6.872671361e+01 1.54 6.247387992e+01 6.247387992e+01 1.56 5.672163972e+01 5.672163972e+01 1.58 5.142891464e+01 5.142891464e+01 1.60 4.655715796e+01 4.655715796e+01 1.62 4.207048044e+01 4.207048044e+01 1.64 3.793596893e+01 3.793596893e+01 1.66 3.413286856e+01 3.413286856e+01 1.68 3.064395914e+01 3.064395914e+01 1.70 2.744458355e+01 2.744458355e+01 1.72 2.451291682e+01 2.451291682e+01 1.74 2.182932957e+01 2.182932957e+01 1.76 1.937564875e+01 1.937564875e+01 1.78 1.713455350e+01 1.713455350e+01 1.80 1.508931268e+01 1.508931268e+01 1.82 1.322387844e+01 1.322387844e+01 1.84 1.152314988e+01 1.152314988e+01 1.86 9.973179642e+00 9.973179642e+00 1.88 8.561212385e+00 8.561212385e+00 1.90 7.275578279e+00 7.275578279e+00 1.92 6.105523552e+00 6.105523552e+00 1.94 5.041053746e+00 5.041053746e+00 1.96 4.072834477e+00 4.072834477e+00 1.98 3.192160780e+00 3.192160780e+00 2.00 2.390979462e+00 2.390979462e+00 2.02 1.661935742e+00 1.661935742e+00 2.04 9.984146887e-01 9.984146887e-01 2.06 3.945542892e-01 3.945542892e-01 2.08 -1.547820827e-01 -1.547820827e-01 2.10 -6.540727273e-01 -6.540727273e-01 2.12 -1.107232229e+00 -1.107232229e+00 2.14 -1.517716790e+00 -1.517716790e+00 2.16 -1.888624822e+00 -1.888624822e+00 2.18 -2.222782420e+00 -2.222782420e+00 2.20 -2.522809430e+00 -2.522809430e+00 2.22 -2.791166765e+00 -2.791166765e+00 2.24 -3.030188518e+00 -3.030188518e+00 2.26 -3.242102976e+00 -3.242102976e+00 2.28 -3.429045388e+00 -3.429045388e+00 2.30 -3.593063285e+00 -3.593063285e+00 2.32 -3.736113263e+00 -3.736113263e+00 2.34 -3.860047703e+00 -3.860047703e+00 2.36 -3.966592402e+00 -3.966592402e+00 2.38 -4.057321271e+00 -4.057321271e+00 2.40 -4.133638578e+00 -4.133638578e+00 2.42 -4.196778262e+00 -4.196778262e+00 2.44 -4.247818882e+00 -4.247818882e+00 2.46 -4.287718487e+00 -4.287718487e+00 2.48 -4.317349039e+00 -4.317349039e+00 2.50 -4.337535834e+00 -4.337535834e+00 2.52 -4.349144717e+00 -4.349144717e+00 2.54 -4.352841113e+00 -4.352841113e+00 2.56 -4.349154506e+00 -4.349154506e+00 2.58 -4.338500222e+00 -4.338500222e+00 2.60 -4.321316977e+00 -4.321316977e+00 2.62 -4.298074497e+00 -4.298074497e+00 2.64 -4.269250573e+00 -4.269250573e+00 2.66 -4.235306610e+00 -4.235306610e+00 2.68 -4.196678000e+00 -4.196678000e+00 2.70 -4.153761461e+00 -4.153761461e+00 2.72 -4.106678406e+00 -4.106678406e+00 2.74 -4.055412253e+00 -4.055412253e+00 2.76 -4.000023441e+00 -4.000023441e+00 2.78 -3.940642531e+00 -3.940642531e+00 2.80 -3.877457328e+00 -3.877457328e+00 2.82 -3.810700417e+00 -3.810700417e+00 2.84 -3.740638141e+00 -3.740638141e+00 2.86 -3.667561112e+00 -3.667561112e+00 2.88 -3.591775547e+00 -3.591775547e+00 2.90 -3.513594604e+00 -3.513594604e+00 2.92 -3.433329547e+00 -3.433329547e+00 2.94 -3.351281377e+00 -3.351281377e+00 2.96 -3.267733994e+00 -3.267733994e+00 2.98 -3.182949801e+00 -3.182949801e+00 3.00 -3.097168089e+00 -3.097168089e+00 3.02 -3.010605814e+00 -3.010605814e+00 3.04 -2.923459991e+00 -2.923459991e+00 3.06 -2.835910876e+00 -2.835910876e+00 3.08 -2.748125458e+00 -2.748125458e+00 3.10 -2.660261333e+00 -2.660261333e+00 3.12 -2.572471328e+00 -2.572471328e+00 3.14 -2.484909264e+00 -2.484909264e+00 3.16 -2.397736780e+00 -2.397736780e+00 3.18 -2.311130517e+00 -2.311130517e+00 3.20 -2.225288444e+00 -2.225288444e+00 3.22 -2.140433836e+00 -2.140433836e+00 3.24 -2.056815648e+00 -2.056815648e+00 3.26 -1.974704498e+00 -1.974704498e+00 3.28 -1.894384258e+00 -1.894384258e+00 3.30 -1.816139991e+00 -1.816139991e+00 3.32 -1.740243685e+00 -1.740243685e+00 3.34 -1.666939618e+00 -1.666939618e+00 3.36 -1.596431264e+00 -1.596431264e+00 3.38 -1.528871370e+00 -1.528871370e+00 3.40 -1.464356237e+00 -1.464356237e+00 3.42 -1.402924534e+00 -1.402924534e+00 3.44 -1.344560309e+00 -1.344560309e+00 3.46 -1.289199297e+00 -1.289199297e+00 3.48 -1.236737413e+00 -1.236737413e+00 3.50 -1.187040215e+00 -1.187040215e+00 3.52 -1.139952342e+00 -1.139952342e+00 3.54 -1.095306140e+00 -1.095306140e+00 3.56 -1.052929020e+00 -1.052929020e+00 3.58 -1.012649347e+00 -1.012649347e+00 3.60 -9.743008698e-01 -9.743008698e-01 3.62 -9.377258443e-01 -9.377258443e-01 3.64 -9.027770768e-01 -9.027770768e-01 3.66 -8.693191447e-01 -8.693191447e-01 3.68 -8.372290360e-01 -8.372290360e-01 3.70 -8.063964144e-01 -8.063964144e-01 3.72 -7.767236676e-01 -7.767236676e-01 3.74 -7.481258327e-01 -7.481258327e-01 3.76 -7.205304332e-01 -7.205304332e-01 3.78 -6.938771959e-01 -6.938771959e-01 3.80 -6.681175660e-01 -6.681175660e-01 3.82 -6.432139101e-01 -6.432139101e-01 3.84 -6.191382975e-01 -6.191382975e-01 3.86 -5.958707971e-01 -5.958707971e-01 3.88 -5.733973126e-01 -5.733973126e-01 3.90 -5.517070856e-01 -5.517070856e-01 3.92 -5.307900960e-01 -5.307900960e-01 3.94 -5.106346519e-01 -5.106346519e-01 3.96 -4.912254455e-01 -4.912254455e-01 3.98 -4.725422884e-01 -4.725422884e-01 4.00 -4.545596073e-01 -4.545596073e-01 4.02 -4.372466545e-01 -4.372466545e-01 4.04 -4.205682919e-01 -4.205682919e-01 4.06 -4.044861429e-01 -4.044861429e-01 4.08 -3.889596447e-01 -3.889596447e-01 4.10 -3.739479958e-01 -3.739479958e-01 4.12 -3.594111742e-01 -3.594111742e-01 4.14 -3.453106790e-01 -3.453106790e-01 4.16 -3.316104705e-01 -3.316104705e-01 4.18 -3.182776982e-01 -3.182776982e-01 4.20 -3.052832553e-01 -3.052832553e-01 4.22 -2.926021838e-01 -2.926021838e-01 4.24 -2.802139516e-01 -2.802139516e-01 4.26 -2.681026138e-01 -2.681026138e-01 4.28 -2.562568655e-01 -2.562568655e-01 4.30 -2.446699956e-01 -2.446699956e-01 4.32 -2.333397495e-01 -2.333397495e-01 4.34 -2.222681119e-01 -2.222681119e-01 4.36 -2.114610162e-01 -2.114610162e-01 4.38 -2.009279756e-01 -2.009279756e-01 4.40 -1.906816179e-01 -1.906816179e-01 4.42 -1.807370941e-01 -1.807370941e-01 4.44 -1.711113261e-01 -1.711113261e-01 4.46 -1.618220686e-01 -1.618220686e-01 4.48 -1.528866214e-01 -1.528866214e-01 4.50 -1.443209260e-01 -1.443209260e-01 4.52 -1.361382909e-01 -1.361382909e-01 4.54 -1.283479700e-01 -1.283479700e-01 4.56 -1.209542435e-01 -1.209542435e-01 4.58 -1.139558377e-01 -1.139558377e-01 4.60 -1.073457504e-01 -1.073457504e-01 4.62 -1.011114950e-01 -1.011114950e-01 4.64 -9.523571791e-02 -9.523571791e-02 4.66 -8.969710137e-02 -8.969710137e-02 4.68 -8.447144525e-02 -8.447144525e-02 4.70 -7.953281701e-02 -7.953281701e-02 4.72 -7.485467750e-02 -7.485467750e-02 4.74 -7.041091318e-02 -7.041091318e-02 4.76 -6.617673137e-02 -6.617673137e-02 4.78 -6.212939784e-02 -6.212939784e-02 4.80 -5.824881107e-02 -5.824881107e-02 4.82 -5.451792058e-02 -5.451792058e-02 4.84 -5.092298901e-02 -5.092298901e-02 4.86 -4.745371541e-02 -4.745371541e-02 4.88 -4.410321656e-02 -4.410321656e-02 4.90 -4.086787279e-02 -4.086787279e-02 4.92 -3.774704181e-02 -3.774704181e-02 4.94 -3.474264836e-02 -3.474264836e-02 4.96 -3.185866496e-02 -3.185866496e-02 4.98 -2.910050683e-02 -2.910050683e-02 5.00 -2.647437265e-02 -2.647437265e-02 5.02 -2.398657944e-02 -2.398657944e-02 5.04 -2.164293027e-02 -2.164293027e-02 5.06 -1.944816057e-02 -1.944816057e-02 5.08 -1.740549968e-02 -1.740549968e-02 5.10 -1.551614020e-02 -1.551614020e-02 5.12 -1.377919153e-02 -1.377919153e-02 5.14 -1.219251317e-02 -1.219251317e-02 5.16 -1.075203548e-02 -1.075203548e-02 5.18 -9.451973599e-03 -9.451973599e-03 5.20 -8.285142877e-03 -8.285142877e-03 5.22 -7.243304735e-03 -7.243304735e-03 5.24 -6.317513226e-03 -6.317513226e-03 5.26 -5.498439195e-03 -5.498439195e-03 5.28 -4.776656059e-03 -4.776656059e-03 5.30 -4.142878205e-03 -4.142878205e-03 5.32 -3.588148912e-03 -3.588148912e-03 5.34 -3.103979209e-03 -3.103979209e-03 5.36 -2.682442120e-03 -2.682442120e-03 5.38 -2.316228531e-03 -2.316228531e-03 5.40 -1.998671574e-03 -1.998671574e-03 5.42 -1.723746378e-03 -1.723746378e-03 5.44 -1.486051504e-03 -1.486051504e-03 5.46 -1.280777529e-03 -1.280777529e-03 5.48 -1.103667327e-03 -1.103667327e-03 5.50 -9.509716753e-04 -9.509716753e-04 5.52 -8.194029677e-04 -8.194029677e-04 5.54 -7.060890689e-04 -7.060890689e-04 5.56 -6.085287554e-04 -6.085287554e-04 5.58 -5.245496802e-04 -5.245496802e-04 5.60 -4.522694317e-04 -4.522694317e-04 5.62 -3.900599682e-04 -3.900599682e-04 5.64 -3.365155043e-04 -3.365155043e-04 5.66 -2.904237833e-04 -2.904237833e-04 5.68 -2.507405741e-04 -2.507405741e-04 5.70 -2.165671727e-04 -2.165671727e-04 5.72 -1.871306601e-04 -1.871306601e-04 5.74 -1.617666529e-04 -1.617666529e-04 5.76 -1.399042889e-04 -1.399042889e-04 5.78 -1.210531965e-04 -1.210531965e-04 5.80 -1.047922160e-04 -1.047922160e-04 5.82 -9.075965794e-05 -9.075965794e-05 5.84 -7.864490263e-05 -7.864490263e-05 5.86 -6.818116876e-05 -6.818116876e-05 5.88 -5.913929411e-05 -5.913929411e-05 5.90 -5.132239277e-05 -5.132239277e-05 5.92 -4.456126853e-05 -4.456126853e-05 5.94 -3.871047984e-05 -3.871047984e-05 5.96 -3.364496518e-05 -3.364496518e-05 5.98 -2.925715016e-05 -2.925715016e-05 6.00 -2.545446785e-05 -2.545446785e-05