# 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 = AuFeMg2 # 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 3.554373886e+02 3.554373886e+02 1.30 3.280551798e+02 3.280551798e+02 1.32 3.028090457e+02 3.028090457e+02 1.34 2.795213854e+02 2.795213854e+02 1.36 2.580297502e+02 2.580297502e+02 1.38 2.381868834e+02 2.381868834e+02 1.40 2.198594356e+02 2.198594356e+02 1.42 2.029258950e+02 2.029258950e+02 1.44 1.872747788e+02 1.872747788e+02 1.46 1.728035751e+02 1.728035751e+02 1.48 1.594183576e+02 1.594183576e+02 1.50 1.470336477e+02 1.470336477e+02 1.52 1.355719950e+02 1.355719950e+02 1.54 1.249630589e+02 1.249630589e+02 1.56 1.151425064e+02 1.151425064e+02 1.58 1.060510985e+02 1.060510985e+02 1.60 9.763448503e+01 9.763448503e+01 1.62 8.985366729e+01 8.985366729e+01 1.64 8.266580114e+01 8.266580114e+01 1.66 7.602560575e+01 7.602560575e+01 1.68 6.989070676e+01 6.989070676e+01 1.70 6.422216530e+01 6.422216530e+01 1.72 5.898402457e+01 5.898402457e+01 1.74 5.414315476e+01 5.414315476e+01 1.76 4.966914133e+01 4.966914133e+01 1.78 4.553411738e+01 4.553411738e+01 1.80 4.171253818e+01 4.171253818e+01 1.82 3.818093182e+01 3.818093182e+01 1.84 3.491767177e+01 3.491767177e+01 1.86 3.190279814e+01 3.190279814e+01 1.88 2.911785691e+01 2.911785691e+01 1.90 2.654574058e+01 2.654574058e+01 1.92 2.417053204e+01 2.417053204e+01 1.94 2.197737132e+01 2.197737132e+01 1.96 1.995237218e+01 1.995237218e+01 1.98 1.808258901e+01 1.808258901e+01 2.00 1.635601708e+01 1.635601708e+01 2.02 1.476159765e+01 1.476159765e+01 2.04 1.328920693e+01 1.328920693e+01 2.06 1.192961572e+01 1.192961572e+01 2.08 1.067441860e+01 1.067441860e+01 2.10 9.515946354e+00 9.515946354e+00 2.12 8.447173037e+00 8.447173037e+00 2.14 7.461631567e+00 7.461631567e+00 2.16 6.553342857e+00 6.553342857e+00 2.18 5.716757187e+00 5.716757187e+00 2.20 4.946709957e+00 4.946709957e+00 2.22 4.238386529e+00 4.238386529e+00 2.24 3.587299424e+00 3.587299424e+00 2.26 2.989274419e+00 2.989274419e+00 2.28 2.440439179e+00 2.440439179e+00 2.30 1.937215169e+00 1.937215169e+00 2.32 1.476299513e+00 1.476299513e+00 2.34 1.054647178e+00 1.054647178e+00 2.36 6.694467853e-01 6.694467853e-01 2.38 3.180972774e-01 3.180972774e-01 2.40 -1.815037217e-03 -1.815037217e-03 2.42 -2.925387664e-01 -2.925387664e-01 2.44 -5.561761161e-01 -5.561761161e-01 2.46 -7.947002756e-01 -7.947002756e-01 2.48 -1.009968579e+00 -1.009968579e+00 2.50 -1.203789985e+00 -1.203789985e+00 2.52 -1.377833260e+00 -1.377833260e+00 2.54 -1.533557477e+00 -1.533557477e+00 2.56 -1.672362589e+00 -1.672362589e+00 2.58 -1.795576955e+00 -1.795576955e+00 2.60 -1.904459760e+00 -1.904459760e+00 2.62 -2.000194029e+00 -2.000194029e+00 2.64 -2.083876975e+00 -2.083876975e+00 2.66 -2.156502457e+00 -2.156502457e+00 2.68 -2.218966616e+00 -2.218966616e+00 2.70 -2.272072667e+00 -2.272072667e+00 2.72 -2.316467821e+00 -2.316467821e+00 2.74 -2.352679244e+00 -2.352679244e+00 2.76 -2.381210878e+00 -2.381210878e+00 2.78 -2.402554737e+00 -2.402554737e+00 2.80 -2.417197839e+00 -2.417197839e+00 2.82 -2.425623897e+00 -2.425623897e+00 2.84 -2.428314893e+00 -2.428314893e+00 2.86 -2.425748509e+00 -2.425748509e+00 2.88 -2.418393827e+00 -2.418393827e+00 2.90 -2.406705934e+00 -2.406705934e+00 2.92 -2.391120587e+00 -2.391120587e+00 2.94 -2.372049997e+00 -2.372049997e+00 2.96 -2.349880444e+00 -2.349880444e+00 2.98 -2.324971812e+00 -2.324971812e+00 3.00 -2.297658597e+00 -2.297658597e+00 3.02 -2.268251496e+00 -2.268251496e+00 3.04 -2.237038397e+00 -2.237038397e+00 3.06 -2.204285717e+00 -2.204285717e+00 3.08 -2.170235831e+00 -2.170235831e+00 3.10 -2.135125634e+00 -2.135125634e+00 3.12 -2.099176046e+00 -2.099176046e+00 3.14 -2.062499952e+00 -2.062499952e+00 3.16 -2.025192669e+00 -2.025192669e+00 3.18 -1.987342652e+00 -1.987342652e+00 3.20 -1.949035274e+00 -1.949035274e+00 3.22 -1.910357530e+00 -1.910357530e+00 3.24 -1.871373601e+00 -1.871373601e+00 3.26 -1.832057838e+00 -1.832057838e+00 3.28 -1.792400076e+00 -1.792400076e+00 3.30 -1.752432189e+00 -1.752432189e+00 3.32 -1.712221608e+00 -1.712221608e+00 3.34 -1.671862832e+00 -1.671862832e+00 3.36 -1.631467759e+00 -1.631467759e+00 3.38 -1.591156068e+00 -1.591156068e+00 3.40 -1.551046640e+00 -1.551046640e+00 3.42 -1.511251282e+00 -1.511251282e+00 3.44 -1.471869643e+00 -1.471869643e+00 3.46 -1.432987118e+00 -1.432987118e+00 3.48 -1.394673906e+00 -1.394673906e+00 3.50 -1.356985396e+00 -1.356985396e+00 3.52 -1.319963362e+00 -1.319963362e+00 3.54 -1.283637618e+00 -1.283637618e+00 3.56 -1.248027842e+00 -1.248027842e+00 3.58 -1.213145399e+00 -1.213145399e+00 3.60 -1.178995023e+00 -1.178995023e+00 3.62 -1.145576307e+00 -1.145576307e+00 3.64 -1.112884965e+00 -1.112884965e+00 3.66 -1.080913888e+00 -1.080913888e+00 3.68 -1.049654007e+00 -1.049654007e+00 3.70 -1.019095014e+00 -1.019095014e+00 3.72 -9.892259629e-01 -9.892259629e-01 3.74 -9.600357837e-01 -9.600357837e-01 3.76 -9.315137272e-01 -9.315137272e-01 3.78 -9.036497275e-01 -9.036497275e-01 3.80 -8.764346666e-01 -8.764346666e-01 3.82 -8.498605038e-01 -8.498605038e-01 3.84 -8.239202317e-01 -8.239202317e-01 3.86 -7.986076378e-01 -7.986076378e-01 3.88 -7.739168823e-01 -7.739168823e-01 3.90 -7.498419422e-01 -7.498419422e-01 3.92 -7.263758054e-01 -7.263758054e-01 3.94 -7.035108119e-01 -7.035108119e-01 3.96 -6.812369007e-01 -6.812369007e-01 3.98 -6.595424427e-01 -6.595424427e-01 4.00 -6.384140676e-01 -6.384140676e-01 4.02 -6.178369553e-01 -6.178369553e-01 4.04 -5.977952682e-01 -5.977952682e-01 4.06 -5.782726593e-01 -5.782726593e-01 4.08 -5.592528021e-01 -5.592528021e-01 4.10 -5.407192764e-01 -5.407192764e-01 4.12 -5.226586846e-01 -5.226586846e-01 4.14 -5.050569052e-01 -5.050569052e-01 4.16 -4.879024187e-01 -4.879024187e-01 4.18 -4.711858277e-01 -4.711858277e-01 4.20 -4.549000794e-01 -4.549000794e-01 4.22 -4.390405758e-01 -4.390405758e-01 4.24 -4.236051432e-01 -4.236051432e-01 4.26 -4.085938323e-01 -4.085938323e-01 4.28 -3.940085337e-01 -3.940085337e-01 4.30 -3.798524119e-01 -3.798524119e-01 4.32 -3.661291888e-01 -3.661291888e-01 4.34 -3.528423294e-01 -3.528423294e-01 4.36 -3.399942104e-01 -3.399942104e-01 4.38 -3.275853536e-01 -3.275853536e-01 4.40 -3.156138092e-01 -3.156138092e-01 4.42 -3.040747454e-01 -3.040747454e-01 4.44 -2.929602772e-01 -2.929602772e-01 4.46 -2.822595286e-01 -2.822595286e-01 4.48 -2.719588968e-01 -2.719588968e-01 4.50 -2.620424644e-01 -2.620424644e-01 4.52 -2.524925001e-01 -2.524925001e-01 4.54 -2.432899889e-01 -2.432899889e-01 4.56 -2.344151467e-01 -2.344151467e-01 4.58 -2.258478863e-01 -2.258478863e-01 4.60 -2.175682176e-01 -2.175682176e-01 4.62 -2.095565795e-01 -2.095565795e-01 4.64 -2.017941074e-01 -2.017941074e-01 4.66 -1.942628492e-01 -1.942628492e-01 4.68 -1.869459431e-01 -1.869459431e-01 4.70 -1.798277717e-01 -1.798277717e-01 4.72 -1.728941048e-01 -1.728941048e-01 4.74 -1.661322382e-01 -1.661322382e-01 4.76 -1.595311351e-01 -1.595311351e-01 4.78 -1.530815679e-01 -1.530815679e-01 4.80 -1.467758611e-01 -1.467758611e-01 4.82 -1.406096633e-01 -1.406096633e-01 4.84 -1.345794518e-01 -1.345794518e-01 4.86 -1.286843934e-01 -1.286843934e-01 4.88 -1.229258449e-01 -1.229258449e-01 4.90 -1.173072470e-01 -1.173072470e-01 4.92 -1.118339185e-01 -1.118339185e-01 4.94 -1.065127437e-01 -1.065127437e-01 4.96 -1.013517566e-01 -1.013517566e-01 4.98 -9.635963793e-02 -9.635963793e-02 5.00 -9.154515415e-02 -9.154515415e-02 5.02 -8.691657558e-02 -8.691657558e-02 5.04 -8.248112207e-02 -8.248112207e-02 5.06 -7.824447407e-02 -7.824447407e-02 5.08 -7.421037698e-02 -7.421037698e-02 5.10 -7.038040562e-02 -7.038040562e-02 5.12 -6.675386271e-02 -6.675386271e-02 5.14 -6.332781927e-02 -6.332781927e-02 5.16 -6.009728102e-02 -6.009728102e-02 5.18 -5.705545447e-02 -5.705545447e-02 5.20 -5.419362544e-02 -5.419362544e-02 5.22 -5.150188673e-02 -5.150188673e-02 5.24 -4.897068205e-02 -4.897068205e-02 5.26 -4.658993858e-02 -4.658993858e-02 5.28 -4.434940776e-02 -4.434940776e-02 5.30 -4.223898161e-02 -4.223898161e-02 5.32 -4.024894666e-02 -4.024894666e-02 5.34 -3.837017537e-02 -3.837017537e-02 5.36 -3.659425810e-02 -3.659425810e-02 5.38 -3.491357997e-02 -3.491357997e-02 5.40 -3.332134869e-02 -3.332134869e-02 5.42 -3.181157989e-02 -3.181157989e-02 5.44 -3.037904632e-02 -3.037904632e-02 5.46 -2.901919879e-02 -2.901919879e-02 5.48 -2.772806689e-02 -2.772806689e-02 5.50 -2.650214836e-02 -2.650214836e-02 5.52 -2.533829593e-02 -2.533829593e-02 5.54 -2.423361011e-02 -2.423361011e-02 5.56 -2.318534512e-02 -2.318534512e-02 5.58 -2.219083322e-02 -2.219083322e-02 5.60 -2.124743016e-02 -2.124743016e-02 5.62 -2.035248243e-02 -2.035248243e-02 5.64 -1.950331406e-02 -1.950331406e-02 5.66 -1.869722977e-02 -1.869722977e-02 5.68 -1.793152981e-02 -1.793152981e-02 5.70 -1.720353201e-02 -1.720353201e-02 5.72 -1.651059677e-02 -1.651059677e-02 5.74 -1.585015095e-02 -1.585015095e-02 5.76 -1.521966683e-02 -1.521966683e-02 5.78 -1.461674918e-02 -1.461674918e-02 5.80 -1.403915090e-02 -1.403915090e-02 5.82 -1.348474965e-02 -1.348474965e-02 5.84 -1.295155167e-02 -1.295155167e-02 5.86 -1.243769219e-02 -1.243769219e-02 5.88 -1.194143359e-02 -1.194143359e-02 5.90 -1.146116201e-02 -1.146116201e-02 5.92 -1.099538341e-02 -1.099538341e-02 5.94 -1.054271997e-02 -1.054271997e-02 5.96 -1.010190716e-02 -1.010190716e-02 5.98 -9.671792358e-03 -9.671792358e-03 6.00 -9.251334963e-03 -9.251334963e-03