# 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 = Ag2CuPd # 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 4.538069518e+02 4.538069518e+02 1.00 4.175920037e+02 4.175920037e+02 1.02 3.849319772e+02 3.849319772e+02 1.04 3.554071851e+02 3.554071851e+02 1.06 3.286485349e+02 3.286485349e+02 1.08 3.043322734e+02 3.043322734e+02 1.10 2.821828391e+02 2.821828391e+02 1.12 2.619545025e+02 2.619545025e+02 1.14 2.434308266e+02 2.434308266e+02 1.16 2.264314616e+02 2.264314616e+02 1.18 2.107963715e+02 2.107963715e+02 1.20 1.963849595e+02 1.963849595e+02 1.22 1.830694961e+02 1.830694961e+02 1.24 1.707475161e+02 1.707475161e+02 1.26 1.593234544e+02 1.593234544e+02 1.28 1.487141734e+02 1.487141734e+02 1.30 1.388446897e+02 1.388446897e+02 1.32 1.296511815e+02 1.296511815e+02 1.34 1.210773231e+02 1.210773231e+02 1.36 1.130721615e+02 1.130721615e+02 1.38 1.055901387e+02 1.055901387e+02 1.40 9.859151790e+01 9.859151790e+01 1.42 9.203989580e+01 9.203989580e+01 1.44 8.590362270e+01 8.590362270e+01 1.46 8.015138041e+01 8.015138041e+01 1.48 7.475701275e+01 7.475701275e+01 1.50 6.969800215e+01 6.969800215e+01 1.52 6.495208627e+01 6.495208627e+01 1.54 6.049792414e+01 6.049792414e+01 1.56 5.631739312e+01 5.631739312e+01 1.58 5.239362250e+01 5.239362250e+01 1.60 4.871153830e+01 4.871153830e+01 1.62 4.525601311e+01 4.525601311e+01 1.64 4.201347010e+01 4.201347010e+01 1.66 3.897051107e+01 3.897051107e+01 1.68 3.611544329e+01 3.611544329e+01 1.70 3.343799034e+01 3.343799034e+01 1.72 3.092752425e+01 3.092752425e+01 1.74 2.857436985e+01 2.857436985e+01 1.76 2.636869354e+01 2.636869354e+01 1.78 2.430137981e+01 2.430137981e+01 1.80 2.236520099e+01 2.236520099e+01 1.82 2.051969189e+01 2.051969189e+01 1.84 1.881943132e+01 1.881943132e+01 1.86 1.722556445e+01 1.722556445e+01 1.88 1.571540137e+01 1.571540137e+01 1.90 1.430889370e+01 1.430889370e+01 1.92 1.298569956e+01 1.298569956e+01 1.94 1.174164306e+01 1.174164306e+01 1.96 1.057279941e+01 1.057279941e+01 1.98 9.474566826e+00 9.474566826e+00 2.00 8.444109380e+00 8.444109380e+00 2.02 7.478487883e+00 7.478487883e+00 2.04 6.574506145e+00 6.574506145e+00 2.06 5.728967209e+00 5.728967209e+00 2.08 4.938895223e+00 4.938895223e+00 2.10 4.201753002e+00 4.201753002e+00 2.12 3.514526697e+00 3.514526697e+00 2.14 2.874879162e+00 2.874879162e+00 2.16 2.280205934e+00 2.280205934e+00 2.18 1.728320976e+00 1.728320976e+00 2.20 1.217089837e+00 1.217089837e+00 2.22 7.442514980e-01 7.442514980e-01 2.24 3.077776591e-01 3.077776591e-01 2.26 -9.430165033e-02 -9.430165033e-02 2.28 -4.639003649e-01 -4.639003649e-01 2.30 -8.027666304e-01 -8.027666304e-01 2.32 -1.111963954e+00 -1.111963954e+00 2.34 -1.394044707e+00 -1.394044707e+00 2.36 -1.650584868e+00 -1.650584868e+00 2.38 -1.883095324e+00 -1.883095324e+00 2.40 -2.093019013e+00 -2.093019013e+00 2.42 -2.281777176e+00 -2.281777176e+00 2.44 -2.450634672e+00 -2.450634672e+00 2.46 -2.600550864e+00 -2.600550864e+00 2.48 -2.733059170e+00 -2.733059170e+00 2.50 -2.849417421e+00 -2.849417421e+00 2.52 -2.950559206e+00 -2.950559206e+00 2.54 -3.037360587e+00 -3.037360587e+00 2.56 -3.110790911e+00 -3.110790911e+00 2.58 -3.171967970e+00 -3.171967970e+00 2.60 -3.222365427e+00 -3.222365427e+00 2.62 -3.262333845e+00 -3.262333845e+00 2.64 -3.292535999e+00 -3.292535999e+00 2.66 -3.313777869e+00 -3.313777869e+00 2.68 -3.326765677e+00 -3.326765677e+00 2.70 -3.332100667e+00 -3.332100667e+00 2.72 -3.330189880e+00 -3.330189880e+00 2.74 -3.321878029e+00 -3.321878029e+00 2.76 -3.307735043e+00 -3.307735043e+00 2.78 -3.288550977e+00 -3.288550977e+00 2.80 -3.264738650e+00 -3.264738650e+00 2.82 -3.236560501e+00 -3.236560501e+00 2.84 -3.204453212e+00 -3.204453212e+00 2.86 -3.168827714e+00 -3.168827714e+00 2.88 -3.129777255e+00 -3.129777255e+00 2.90 -3.087410850e+00 -3.087410850e+00 2.92 -3.042865242e+00 -3.042865242e+00 2.94 -2.996194910e+00 -2.996194910e+00 2.96 -2.947682247e+00 -2.947682247e+00 2.98 -2.897588763e+00 -2.897588763e+00 3.00 -2.846156281e+00 -2.846156281e+00 3.02 -2.793608220e+00 -2.793608220e+00 3.04 -2.740359701e+00 -2.740359701e+00 3.06 -2.686151103e+00 -2.686151103e+00 3.08 -2.630827526e+00 -2.630827526e+00 3.10 -2.575169705e+00 -2.575169705e+00 3.12 -2.519313580e+00 -2.519313580e+00 3.14 -2.463389447e+00 -2.463389447e+00 3.16 -2.407516025e+00 -2.407516025e+00 3.18 -2.351800888e+00 -2.351800888e+00 3.20 -2.296341358e+00 -2.296341358e+00 3.22 -2.241225269e+00 -2.241225269e+00 3.24 -2.186525992e+00 -2.186525992e+00 3.26 -2.132609074e+00 -2.132609074e+00 3.28 -2.079331689e+00 -2.079331689e+00 3.30 -2.026648243e+00 -2.026648243e+00 3.32 -1.974608857e+00 -1.974608857e+00 3.34 -1.923258109e+00 -1.923258109e+00 3.36 -1.872635365e+00 -1.872635365e+00 3.38 -1.822772475e+00 -1.822772475e+00 3.40 -1.773720609e+00 -1.773720609e+00 3.42 -1.725595334e+00 -1.725595334e+00 3.44 -1.678257149e+00 -1.678257149e+00 3.46 -1.631668155e+00 -1.631668155e+00 3.48 -1.585810779e+00 -1.585810779e+00 3.50 -1.540796310e+00 -1.540796310e+00 3.52 -1.496698378e+00 -1.496698378e+00 3.54 -1.453508852e+00 -1.453508852e+00 3.56 -1.411214826e+00 -1.411214826e+00 3.58 -1.369820495e+00 -1.369820495e+00 3.60 -1.329326840e+00 -1.329326840e+00 3.62 -1.289700588e+00 -1.289700588e+00 3.64 -1.250894587e+00 -1.250894587e+00 3.66 -1.212882457e+00 -1.212882457e+00 3.68 -1.175705111e+00 -1.175705111e+00 3.70 -1.139411040e+00 -1.139411040e+00 3.72 -1.104021880e+00 -1.104021880e+00 3.74 -1.069501439e+00 -1.069501439e+00 3.76 -1.035829405e+00 -1.035829405e+00 3.78 -1.002994599e+00 -1.002994599e+00 3.80 -9.709864049e-01 -9.709864049e-01 3.82 -9.397609632e-01 -9.397609632e-01 3.84 -9.093102867e-01 -9.093102867e-01 3.86 -8.796413395e-01 -8.796413395e-01 3.88 -8.507607574e-01 -8.507607574e-01 3.90 -8.226525912e-01 -8.226525912e-01 3.92 -7.951843602e-01 -7.951843602e-01 3.94 -7.682218556e-01 -7.682218556e-01 3.96 -7.419139813e-01 -7.419139813e-01 3.98 -7.163844743e-01 -7.163844743e-01 4.00 -6.917244703e-01 -6.917244703e-01 4.02 -6.680000785e-01 -6.680000785e-01 4.04 -6.452811669e-01 -6.452811669e-01 4.06 -6.235964151e-01 -6.235964151e-01 4.08 -6.030337195e-01 -6.030337195e-01 4.10 -5.833773243e-01 -5.833773243e-01 4.12 -5.642842564e-01 -5.642842564e-01 4.14 -5.455005480e-01 -5.455005480e-01 4.16 -5.268441176e-01 -5.268441176e-01 4.18 -5.081904681e-01 -5.081904681e-01 4.20 -4.894607865e-01 -4.894607865e-01 4.22 -4.706120677e-01 -4.706120677e-01 4.24 -4.516245030e-01 -4.516245030e-01 4.26 -4.324897566e-01 -4.324897566e-01 4.28 -4.132074751e-01 -4.132074751e-01 4.30 -3.943124327e-01 -3.943124327e-01 4.32 -3.755700513e-01 -3.755700513e-01 4.34 -3.568238574e-01 -3.568238574e-01 4.36 -3.382476859e-01 -3.382476859e-01 4.38 -3.199778887e-01 -3.199778887e-01 4.40 -3.021204129e-01 -3.021204129e-01 4.42 -2.847559151e-01 -2.847559151e-01 4.44 -2.679440884e-01 -2.679440884e-01 4.46 -2.517273226e-01 -2.517273226e-01 4.48 -2.361338024e-01 -2.361338024e-01 4.50 -2.211801113e-01 -2.211801113e-01 4.52 -2.068734275e-01 -2.068734275e-01 4.54 -1.932133673e-01 -1.932133673e-01 4.56 -1.801934570e-01 -1.801934570e-01 4.58 -1.677964671e-01 -1.677964671e-01 4.60 -1.561811066e-01 -1.561811066e-01 4.62 -1.453121031e-01 -1.453121031e-01 4.64 -1.349950993e-01 -1.349950993e-01 4.66 -1.252159990e-01 -1.252159990e-01 4.68 -1.159538318e-01 -1.159538318e-01 4.70 -1.071870902e-01 -1.071870902e-01 4.72 -9.889406507e-02 -9.889406507e-02 4.74 -9.105309435e-02 -9.105309435e-02 4.76 -8.364276288e-02 -8.364276288e-02 4.78 -7.664205446e-02 -7.664205446e-02 4.80 -7.002438187e-02 -7.002438187e-02 4.82 -6.395576744e-02 -6.395576744e-02 4.84 -5.829400288e-02 -5.829400288e-02 4.86 -5.294510595e-02 -5.294510595e-02 4.88 -4.789268416e-02 -4.789268416e-02 4.90 -4.312103416e-02 -4.312103416e-02 4.92 -3.861471950e-02 -3.861471950e-02 4.94 -3.430899823e-02 -3.430899823e-02 4.96 -3.096958431e-02 -3.096958431e-02 4.98 -2.852285548e-02 -2.852285548e-02 5.00 -2.616511396e-02 -2.616511396e-02 5.02 -2.393834440e-02 -2.393834440e-02 5.04 -2.183572671e-02 -2.183572671e-02 5.06 -1.985044417e-02 -1.985044417e-02 5.08 -1.797604574e-02 -1.797604574e-02 5.10 -1.620642768e-02 -1.620642768e-02 5.12 -1.453581600e-02 -1.453581600e-02 5.14 -1.295874941e-02 -1.295874941e-02 5.16 -1.147006293e-02 -1.147006293e-02 5.18 -1.006487241e-02 -1.006487241e-02 5.20 -8.738559681e-03 -8.738559681e-03 5.22 -7.486758600e-03 -7.486758600e-03 5.24 -6.305341370e-03 -6.305341370e-03 5.26 -5.190388898e-03 -5.190388898e-03 5.28 -4.139313784e-03 -4.139313784e-03 5.30 -3.172514743e-03 -3.172514743e-03 5.32 -2.794072745e-03 -2.794072745e-03 5.34 -2.456402818e-03 -2.456402818e-03 5.36 -2.143882679e-03 -2.143882679e-03 5.38 -1.850957199e-03 -1.850957199e-03 5.40 -1.576423388e-03 -1.576423388e-03 5.42 -1.319150607e-03 -1.319150607e-03 5.44 -1.078076275e-03 -1.078076275e-03 5.46 -8.522018554e-04 -8.522018554e-04 5.48 -6.405890779e-04 -6.405890779e-04 5.50 -4.423563889e-04 -4.423563889e-04 5.52 -2.566755592e-04 -2.566755592e-04 5.54 -8.165602882e-05 -8.165602882e-05 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