# 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 = Ag2NiPd # 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 5.123583636e+02 5.123583636e+02 1.00 4.705190893e+02 4.705190893e+02 1.02 4.327991504e+02 4.327991504e+02 1.04 3.987173428e+02 3.987173428e+02 1.06 3.678528899e+02 3.678528899e+02 1.08 3.398353257e+02 3.398353257e+02 1.10 3.143434118e+02 3.143434118e+02 1.12 2.910967823e+02 2.910967823e+02 1.14 2.698489994e+02 2.698489994e+02 1.16 2.503893589e+02 2.503893589e+02 1.18 2.325269777e+02 2.325269777e+02 1.20 2.160980392e+02 2.160980392e+02 1.22 2.009568857e+02 2.009568857e+02 1.24 1.869788851e+02 1.869788851e+02 1.26 1.740517402e+02 1.740517402e+02 1.28 1.620758575e+02 1.620758575e+02 1.30 1.509631604e+02 1.509631604e+02 1.32 1.406390521e+02 1.406390521e+02 1.34 1.310353466e+02 1.310353466e+02 1.36 1.220922012e+02 1.220922012e+02 1.38 1.137561972e+02 1.137561972e+02 1.40 1.059785327e+02 1.059785327e+02 1.42 9.871449483e+01 9.871449483e+01 1.44 9.192751511e+01 9.192751511e+01 1.46 8.558294133e+01 8.558294133e+01 1.48 7.964869395e+01 7.964869395e+01 1.50 7.409645612e+01 7.409645612e+01 1.52 6.890042670e+01 6.890042670e+01 1.54 6.403584622e+01 6.403584622e+01 1.56 5.948074722e+01 5.948074722e+01 1.58 5.521540067e+01 5.521540067e+01 1.60 5.122202266e+01 5.122202266e+01 1.62 4.748186706e+01 4.748186706e+01 1.64 4.398038436e+01 4.398038436e+01 1.66 4.070303419e+01 4.070303419e+01 1.68 3.763607670e+01 3.763607670e+01 1.70 3.476643221e+01 3.476643221e+01 1.72 3.208120263e+01 3.208120263e+01 1.74 2.957029297e+01 2.957029297e+01 1.76 2.722309952e+01 2.722309952e+01 1.78 2.502915766e+01 2.502915766e+01 1.80 2.297947638e+01 2.297947638e+01 1.82 2.106555070e+01 2.106555070e+01 1.84 1.924698135e+01 1.924698135e+01 1.86 1.757759026e+01 1.757759026e+01 1.88 1.599465433e+01 1.599465433e+01 1.90 1.452292154e+01 1.452292154e+01 1.92 1.313873325e+01 1.313873325e+01 1.94 1.183837880e+01 1.183837880e+01 1.96 1.061826162e+01 1.061826162e+01 1.98 9.474357780e+00 9.474357780e+00 2.00 8.403237859e+00 8.403237859e+00 2.02 7.401362933e+00 7.401362933e+00 2.04 6.465288114e+00 6.465288114e+00 2.06 5.591510808e+00 5.591510808e+00 2.08 4.776750111e+00 4.776750111e+00 2.10 4.018112326e+00 4.018112326e+00 2.12 3.312487227e+00 3.312487227e+00 2.14 2.657265564e+00 2.657265564e+00 2.16 2.049883592e+00 2.049883592e+00 2.18 1.488076274e+00 1.488076274e+00 2.20 9.689243998e-01 9.689243998e-01 2.22 4.899611287e-01 4.899611287e-01 2.24 4.898967066e-02 4.898967066e-02 2.26 -3.561220079e-01 -3.561220079e-01 2.28 -7.274427653e-01 -7.274427653e-01 2.30 -1.066956996e+00 -1.066956996e+00 2.32 -1.376555318e+00 -1.376555318e+00 2.34 -1.657833913e+00 -1.657833913e+00 2.36 -1.912707221e+00 -1.912707221e+00 2.38 -2.142795691e+00 -2.142795691e+00 2.40 -2.349644669e+00 -2.349644669e+00 2.42 -2.534821407e+00 -2.534821407e+00 2.44 -2.699390154e+00 -2.699390154e+00 2.46 -2.844687694e+00 -2.844687694e+00 2.48 -2.972229490e+00 -2.972229490e+00 2.50 -3.083218676e+00 -3.083218676e+00 2.52 -3.179148278e+00 -3.179148278e+00 2.54 -3.260893826e+00 -3.260893826e+00 2.56 -3.329301915e+00 -3.329301915e+00 2.58 -3.385350427e+00 -3.385350427e+00 2.60 -3.429964292e+00 -3.429964292e+00 2.62 -3.463931618e+00 -3.463931618e+00 2.64 -3.488174598e+00 -3.488174598e+00 2.66 -3.503529401e+00 -3.503529401e+00 2.68 -3.510722072e+00 -3.510722072e+00 2.70 -3.510208958e+00 -3.510208958e+00 2.72 -3.502713971e+00 -3.502713971e+00 2.74 -3.488959056e+00 -3.488959056e+00 2.76 -3.469514817e+00 -3.469514817e+00 2.78 -3.445179012e+00 -3.445179012e+00 2.80 -3.416369335e+00 -3.416369335e+00 2.82 -3.383059512e+00 -3.383059512e+00 2.84 -3.345780452e+00 -3.345780452e+00 2.86 -3.305165242e+00 -3.305165242e+00 2.88 -3.261593193e+00 -3.261593193e+00 2.90 -3.215434162e+00 -3.215434162e+00 2.92 -3.167208690e+00 -3.167208690e+00 2.94 -3.116992613e+00 -3.116992613e+00 2.96 -3.065335249e+00 -3.065335249e+00 2.98 -3.012201182e+00 -3.012201182e+00 3.00 -2.957829353e+00 -2.957829353e+00 3.02 -2.902470722e+00 -2.902470722e+00 3.04 -2.845829874e+00 -2.845829874e+00 3.06 -2.787991109e+00 -2.787991109e+00 3.08 -2.729765181e+00 -2.729765181e+00 3.10 -2.671296655e+00 -2.671296655e+00 3.12 -2.612723471e+00 -2.612723471e+00 3.14 -2.554170965e+00 -2.554170965e+00 3.16 -2.495752763e+00 -2.495752763e+00 3.18 -2.437571651e+00 -2.437571651e+00 3.20 -2.379720361e+00 -2.379720361e+00 3.22 -2.322282325e+00 -2.322282325e+00 3.24 -2.265326708e+00 -2.265326708e+00 3.26 -2.209219955e+00 -2.209219955e+00 3.28 -2.153812073e+00 -2.153812073e+00 3.30 -2.099052313e+00 -2.099052313e+00 3.32 -2.044988022e+00 -2.044988022e+00 3.34 -1.991660513e+00 -1.991660513e+00 3.36 -1.939106761e+00 -1.939106761e+00 3.38 -1.887357820e+00 -1.887357820e+00 3.40 -1.836447947e+00 -1.836447947e+00 3.42 -1.786526400e+00 -1.786526400e+00 3.44 -1.737504226e+00 -1.737504226e+00 3.46 -1.689285214e+00 -1.689285214e+00 3.48 -1.641805482e+00 -1.641805482e+00 3.50 -1.595190091e+00 -1.595190091e+00 3.52 -1.549523115e+00 -1.549523115e+00 3.54 -1.504783237e+00 -1.504783237e+00 3.56 -1.460960856e+00 -1.460960856e+00 3.58 -1.418065247e+00 -1.418065247e+00 3.60 -1.376051991e+00 -1.376051991e+00 3.62 -1.334872132e+00 -1.334872132e+00 3.64 -1.294528642e+00 -1.294528642e+00 3.66 -1.255075976e+00 -1.255075976e+00 3.68 -1.216535334e+00 -1.216535334e+00 3.70 -1.178911682e+00 -1.178911682e+00 3.72 -1.142190287e+00 -1.142190287e+00 3.74 -1.106352773e+00 -1.106352773e+00 3.76 -1.071358328e+00 -1.071358328e+00 3.78 -1.037201674e+00 -1.037201674e+00 3.80 -1.003891466e+00 -1.003891466e+00 3.82 -9.714202420e-01 -9.714202420e-01 3.84 -9.397921738e-01 -9.397921738e-01 3.86 -9.088505697e-01 -9.088505697e-01 3.88 -8.785180305e-01 -8.785180305e-01 3.90 -8.489309164e-01 -8.489309164e-01 3.92 -8.201251384e-01 -8.201251384e-01 3.94 -7.921961854e-01 -7.921961854e-01 3.96 -7.652527046e-01 -7.652527046e-01 3.98 -7.393697190e-01 -7.393697190e-01 4.00 -7.146670637e-01 -7.146670637e-01 4.02 -6.912870328e-01 -6.912870328e-01 4.04 -6.689069512e-01 -6.689069512e-01 4.06 -6.473086733e-01 -6.473086733e-01 4.08 -6.261766324e-01 -6.261766324e-01 4.10 -6.052399926e-01 -6.052399926e-01 4.12 -5.843133227e-01 -5.843133227e-01 4.14 -5.632799849e-01 -5.632799849e-01 4.16 -5.421236621e-01 -5.421236621e-01 4.18 -5.211166104e-01 -5.211166104e-01 4.20 -4.999015738e-01 -4.999015738e-01 4.22 -4.785123130e-01 -4.785123130e-01 4.24 -4.569532127e-01 -4.569532127e-01 4.26 -4.352345472e-01 -4.352345472e-01 4.28 -4.135035752e-01 -4.135035752e-01 4.30 -3.919315700e-01 -3.919315700e-01 4.32 -3.706993289e-01 -3.706993289e-01 4.34 -3.499461409e-01 -3.499461409e-01 4.36 -3.297770542e-01 -3.297770542e-01 4.38 -3.102689879e-01 -3.102689879e-01 4.40 -2.914758600e-01 -2.914758600e-01 4.42 -2.734328839e-01 -2.734328839e-01 4.44 -2.561601554e-01 -2.561601554e-01 4.46 -2.396656476e-01 -2.396656476e-01 4.48 -2.239477039e-01 -2.239477039e-01 4.50 -2.089971027e-01 -2.089971027e-01 4.52 -1.947987651e-01 -1.947987651e-01 4.54 -1.813331626e-01 -1.813331626e-01 4.56 -1.685773582e-01 -1.685773582e-01 4.58 -1.564962831e-01 -1.564962831e-01 4.60 -1.453447029e-01 -1.453447029e-01 4.62 -1.350660193e-01 -1.350660193e-01 4.64 -1.253483215e-01 -1.253483215e-01 4.66 -1.161744924e-01 -1.161744924e-01 4.68 -1.075180406e-01 -1.075180406e-01 4.70 -9.935296320e-02 -9.935296320e-02 4.72 -9.165393680e-02 -9.165393680e-02 4.74 -8.439643113e-02 -8.439643113e-02 4.76 -7.755678973e-02 -7.755678973e-02 4.78 -7.111629367e-02 -7.111629367e-02 4.80 -6.505071651e-02 -6.505071651e-02 4.82 -6.048081441e-02 -6.048081441e-02 4.84 -5.625274627e-02 -5.625274627e-02 4.86 -5.226118632e-02 -5.226118632e-02 4.88 -4.849331402e-02 -4.849331402e-02 4.90 -4.493688242e-02 -4.493688242e-02 4.92 -4.158027341e-02 -4.158027341e-02 4.94 -3.841247327e-02 -3.841247327e-02 4.96 -3.542304729e-02 -3.542304729e-02 4.98 -3.260211436e-02 -3.260211436e-02 5.00 -2.994032169e-02 -2.994032169e-02 5.02 -2.742882021e-02 -2.742882021e-02 5.04 -2.505924029e-02 -2.505924029e-02 5.06 -2.282366762e-02 -2.282366762e-02 5.08 -2.071462020e-02 -2.071462020e-02 5.10 -1.872502627e-02 -1.872502627e-02 5.12 -1.684820307e-02 -1.684820307e-02 5.14 -1.507783630e-02 -1.507783630e-02 5.16 -1.340796043e-02 -1.340796043e-02 5.18 -1.183294002e-02 -1.183294002e-02 5.20 -1.034745198e-02 -1.034745198e-02 5.22 -8.946468738e-03 -8.946468738e-03 5.24 -7.625241912e-03 -7.625241912e-03 5.26 -6.379270155e-03 -6.379270155e-03 5.28 -5.205419790e-03 -5.205419790e-03 5.30 -4.123577022e-03 -4.123577022e-03 5.32 -3.637341994e-03 -3.637341994e-03 5.34 -3.198678616e-03 -3.198678616e-03 5.36 -2.791541362e-03 -2.791541362e-03 5.38 -2.409978013e-03 -2.409978013e-03 5.40 -2.052413028e-03 -2.052413028e-03 5.42 -1.717366237e-03 -1.717366237e-03 5.44 -1.403447118e-03 -1.403447118e-03 5.46 -1.109349445e-03 -1.109349445e-03 5.48 -8.338462684e-04 -8.338462684e-04 5.50 -5.757851978e-04 -5.757851978e-04 5.52 -3.340838967e-04 -3.340838967e-04 5.54 -1.062779214e-04 -1.062779214e-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