# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1986--Foiles-S-M-Baskes-M-I-Daw-M-S--Ag-Au-Cu-Ni-Pd-Pt # implementation = 1986--Foiles-S-M--Ag-Au-Cu-Ni-Pd-Pt--LAMMPS--ipr1 # composition = AgAu2Ni # 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 2022-05-24 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 7.345418143e+02 7.345418143e+02 1.00 6.693519530e+02 6.693519530e+02 1.02 6.103788071e+02 6.103788071e+02 1.04 5.570050002e+02 5.570050002e+02 1.06 5.086764964e+02 5.086764964e+02 1.08 4.648956239e+02 4.648956239e+02 1.10 4.252192878e+02 4.252192878e+02 1.12 3.892412764e+02 3.892412764e+02 1.14 3.566001451e+02 3.566001451e+02 1.16 3.269720804e+02 3.269720804e+02 1.18 3.000628522e+02 3.000628522e+02 1.20 2.756068816e+02 2.756068816e+02 1.22 2.533647799e+02 2.533647799e+02 1.24 2.331211774e+02 2.331211774e+02 1.26 2.146799135e+02 2.146799135e+02 1.28 1.978654010e+02 1.978654010e+02 1.30 1.825211055e+02 1.825211055e+02 1.32 1.685038924e+02 1.685038924e+02 1.34 1.556848827e+02 1.556848827e+02 1.36 1.439485449e+02 1.439485449e+02 1.38 1.331917680e+02 1.331917680e+02 1.40 1.233204867e+02 1.233204867e+02 1.42 1.142518833e+02 1.142518833e+02 1.44 1.059101648e+02 1.059101648e+02 1.46 9.822711775e+01 9.822711775e+01 1.48 9.114098472e+01 9.114098472e+01 1.50 8.459754741e+01 8.459754741e+01 1.52 7.854812545e+01 7.854812545e+01 1.54 7.294835186e+01 7.294835186e+01 1.56 6.775861327e+01 6.775861327e+01 1.58 6.294320783e+01 6.294320783e+01 1.60 5.847003466e+01 5.847003466e+01 1.62 5.431045850e+01 5.431045850e+01 1.64 5.043715405e+01 5.043715405e+01 1.66 4.682750135e+01 4.682750135e+01 1.68 4.346066328e+01 4.346066328e+01 1.70 4.031737090e+01 4.031737090e+01 1.72 3.737958510e+01 3.737958510e+01 1.74 3.463273675e+01 3.463273675e+01 1.76 3.206261793e+01 3.206261793e+01 1.78 2.965632597e+01 2.965632597e+01 1.80 2.740212143e+01 2.740212143e+01 1.82 2.528930423e+01 2.528930423e+01 1.84 2.330810340e+01 2.330810340e+01 1.86 2.145179259e+01 2.145179259e+01 1.88 1.969182789e+01 1.969182789e+01 1.90 1.803773783e+01 1.803773783e+01 1.92 1.649147948e+01 1.649147948e+01 1.94 1.502788836e+01 1.502788836e+01 1.96 1.364380921e+01 1.364380921e+01 1.98 1.233617654e+01 1.233617654e+01 2.00 1.110218513e+01 1.110218513e+01 2.02 9.939029285e+00 9.939029285e+00 2.04 8.843949604e+00 8.843949604e+00 2.06 7.814241789e+00 7.814241789e+00 2.08 6.847243912e+00 6.847243912e+00 2.10 5.940219357e+00 5.940219357e+00 2.12 5.090812700e+00 5.090812700e+00 2.14 4.296537717e+00 4.296537717e+00 2.16 3.555122527e+00 3.555122527e+00 2.18 2.864355568e+00 2.864355568e+00 2.20 2.221503336e+00 2.221503336e+00 2.22 1.624069819e+00 1.624069819e+00 2.24 1.070107461e+00 1.070107461e+00 2.26 5.576150715e-01 5.576150715e-01 2.28 8.454229484e-02 8.454229484e-02 2.30 -3.511010085e-01 -3.511010085e-01 2.32 -7.512450496e-01 -7.512450496e-01 2.34 -1.117759979e+00 -1.117759979e+00 2.36 -1.452363711e+00 -1.452363711e+00 2.38 -1.756915076e+00 -1.756915076e+00 2.40 -2.033097702e+00 -2.033097702e+00 2.42 -2.282566645e+00 -2.282566645e+00 2.44 -2.506699417e+00 -2.506699417e+00 2.46 -2.707184280e+00 -2.707184280e+00 2.48 -2.885499040e+00 -2.885499040e+00 2.50 -3.043056215e+00 -3.043056215e+00 2.52 -3.181401317e+00 -3.181401317e+00 2.54 -3.301777658e+00 -3.301777658e+00 2.56 -3.405332572e+00 -3.405332572e+00 2.58 -3.493246358e+00 -3.493246358e+00 2.60 -3.566645006e+00 -3.566645006e+00 2.62 -3.626600566e+00 -3.626600566e+00 2.64 -3.674128174e+00 -3.674128174e+00 2.66 -3.710159234e+00 -3.710159234e+00 2.68 -3.735650996e+00 -3.735650996e+00 2.70 -3.751265540e+00 -3.751265540e+00 2.72 -3.757997863e+00 -3.757997863e+00 2.74 -3.756635162e+00 -3.756635162e+00 2.76 -3.747897730e+00 -3.747897730e+00 2.78 -3.732505454e+00 -3.732505454e+00 2.80 -3.711182176e+00 -3.711182176e+00 2.82 -3.683979041e+00 -3.683979041e+00 2.84 -3.651773269e+00 -3.651773269e+00 2.86 -3.615165459e+00 -3.615165459e+00 2.88 -3.574629221e+00 -3.574629221e+00 2.90 -3.530641981e+00 -3.530641981e+00 2.92 -3.484001303e+00 -3.484001303e+00 2.94 -3.434627178e+00 -3.434627178e+00 2.96 -3.383137146e+00 -3.383137146e+00 2.98 -3.329560974e+00 -3.329560974e+00 3.00 -3.274197099e+00 -3.274197099e+00 3.02 -3.217318062e+00 -3.217318062e+00 3.04 -3.159177047e+00 -3.159177047e+00 3.06 -3.099692672e+00 -3.099692672e+00 3.08 -3.039041555e+00 -3.039041555e+00 3.10 -2.977835183e+00 -2.977835183e+00 3.12 -2.916160728e+00 -2.916160728e+00 3.14 -2.854177664e+00 -2.854177664e+00 3.16 -2.792086565e+00 -2.792086565e+00 3.18 -2.730016032e+00 -2.730016032e+00 3.20 -2.668083993e+00 -2.668083993e+00 3.22 -2.606397200e+00 -2.606397200e+00 3.24 -2.545051786e+00 -2.545051786e+00 3.26 -2.484134209e+00 -2.484134209e+00 3.28 -2.423721981e+00 -2.423721981e+00 3.30 -2.363884275e+00 -2.363884275e+00 3.32 -2.304682611e+00 -2.304682611e+00 3.34 -2.246171805e+00 -2.246171805e+00 3.36 -2.188400168e+00 -2.188400168e+00 3.38 -2.131409639e+00 -2.131409639e+00 3.40 -2.075266719e+00 -2.075266719e+00 3.42 -2.020369958e+00 -2.020369958e+00 3.44 -1.966328543e+00 -1.966328543e+00 3.46 -1.913165749e+00 -1.913165749e+00 3.48 -1.860931353e+00 -1.860931353e+00 3.50 -1.809604989e+00 -1.809604989e+00 3.52 -1.759086562e+00 -1.759086562e+00 3.54 -1.709408183e+00 -1.709408183e+00 3.56 -1.660681159e+00 -1.660681159e+00 3.58 -1.612930637e+00 -1.612930637e+00 3.60 -1.566159819e+00 -1.566159819e+00 3.62 -1.520377148e+00 -1.520377148e+00 3.64 -1.475553246e+00 -1.475553246e+00 3.66 -1.431645224e+00 -1.431645224e+00 3.68 -1.388622326e+00 -1.388622326e+00 3.70 -1.346486010e+00 -1.346486010e+00 3.72 -1.305264624e+00 -1.305264624e+00 3.74 -1.264980492e+00 -1.264980492e+00 3.76 -1.225639351e+00 -1.225639351e+00 3.78 -1.187213083e+00 -1.187213083e+00 3.80 -1.149697430e+00 -1.149697430e+00 3.82 -1.113088239e+00 -1.113088239e+00 3.84 -1.077390434e+00 -1.077390434e+00 3.86 -1.042532013e+00 -1.042532013e+00 3.88 -1.008399364e+00 -1.008399364e+00 3.90 -9.750737411e-01 -9.750737411e-01 3.92 -9.426351462e-01 -9.426351462e-01 3.94 -9.111463957e-01 -9.111463957e-01 3.96 -8.806521502e-01 -8.806521502e-01 3.98 -8.511082228e-01 -8.511082228e-01 4.00 -8.225539848e-01 -8.225539848e-01 4.02 -7.949339652e-01 -7.949339652e-01 4.04 -7.681051267e-01 -7.681051267e-01 4.06 -7.419687415e-01 -7.419687415e-01 4.08 -7.164597675e-01 -7.164597675e-01 4.10 -6.915385330e-01 -6.915385330e-01 4.12 -6.672182490e-01 -6.672182490e-01 4.14 -6.435580997e-01 -6.435580997e-01 4.16 -6.204978006e-01 -6.204978006e-01 4.18 -5.980702729e-01 -5.980702729e-01 4.20 -5.758158587e-01 -5.758158587e-01 4.22 -5.535849990e-01 -5.535849990e-01 4.24 -5.313446417e-01 -5.313446417e-01 4.26 -5.091615148e-01 -5.091615148e-01 4.28 -4.870985662e-01 -4.870985662e-01 4.30 -4.652146372e-01 -4.652146372e-01 4.32 -4.435642240e-01 -4.435642240e-01 4.34 -4.221973259e-01 -4.221973259e-01 4.36 -4.011586592e-01 -4.011586592e-01 4.38 -3.804546340e-01 -3.804546340e-01 4.40 -3.601107186e-01 -3.601107186e-01 4.42 -3.402304213e-01 -3.402304213e-01 4.44 -3.209109375e-01 -3.209109375e-01 4.46 -3.022237657e-01 -3.022237657e-01 4.48 -2.842192943e-01 -2.842192943e-01 4.50 -2.669306599e-01 -2.669306599e-01 4.52 -2.503769879e-01 -2.503769879e-01 4.54 -2.345661100e-01 -2.345661100e-01 4.56 -2.194968399e-01 -2.194968399e-01 4.58 -2.051608648e-01 -2.051608648e-01 4.60 -1.915443193e-01 -1.915443193e-01 4.62 -1.786290906e-01 -1.786290906e-01 4.64 -1.663938948e-01 -1.663938948e-01 4.66 -1.548151610e-01 -1.548151610e-01 4.68 -1.438677524e-01 -1.438677524e-01 4.70 -1.335255549e-01 -1.335255549e-01 4.72 -1.237619493e-01 -1.237619493e-01 4.74 -1.145501900e-01 -1.145501900e-01 4.76 -1.058637064e-01 -1.058637064e-01 4.78 -9.767984141e-02 -9.767984141e-02 4.80 -8.996367453e-02 -8.996367453e-02 4.82 -8.391161010e-02 -8.391161010e-02 4.84 -7.836623553e-02 -7.836623553e-02 4.86 -7.313907037e-02 -7.313907037e-02 4.88 -6.821339530e-02 -6.821339530e-02 4.90 -6.357306362e-02 -6.357306362e-02 4.92 -5.920259126e-02 -5.920259126e-02 4.94 -5.508716718e-02 -5.508716718e-02 4.96 -5.121265439e-02 -5.121265439e-02 4.98 -4.756558430e-02 -4.756558430e-02 5.00 -4.413314581e-02 -4.413314581e-02 5.02 -4.090317046e-02 -4.090317046e-02 5.04 -3.786411430e-02 -3.786411430e-02 5.06 -3.500503708e-02 -3.500503708e-02 5.08 -3.231558014e-02 -3.231558014e-02 5.10 -2.978594331e-02 -2.978594331e-02 5.12 -2.740686142e-02 -2.740686142e-02 5.14 -2.516958023e-02 -2.516958023e-02 5.16 -2.306583239e-02 -2.306583239e-02 5.18 -2.108781390e-02 -2.108781390e-02 5.20 -1.922816109e-02 -1.922816109e-02 5.22 -1.747992830e-02 -1.747992830e-02 5.24 -1.583656585e-02 -1.583656585e-02 5.26 -1.429189902e-02 -1.429189902e-02 5.28 -1.284010791e-02 -1.284010791e-02 5.30 -1.147570817e-02 -1.147570817e-02 5.32 -1.019353255e-02 -1.019353255e-02 5.34 -8.988713185e-03 -8.988713185e-03 5.36 -7.856664772e-03 -7.856664772e-03 5.38 -6.793068734e-03 -6.793068734e-03 5.40 -5.793858209e-03 -5.793858209e-03 5.42 -4.855203643e-03 -4.855203643e-03 5.44 -3.973499195e-03 -3.973499195e-03 5.46 -3.145349925e-03 -3.145349925e-03 5.48 -2.367559732e-03 -2.367559732e-03 5.50 -1.637119970e-03 -1.637119970e-03 5.52 -9.511985345e-04 -9.511985345e-04 5.54 -3.029949849e-04 -3.029949849e-04 5.56 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00