# 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 = AgCo2Pd # 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 2.101116150e+02 2.101116150e+02 1.30 1.937674965e+02 1.937674965e+02 1.32 1.786775851e+02 1.786775851e+02 1.34 1.647406048e+02 1.647406048e+02 1.36 1.518632451e+02 1.518632451e+02 1.38 1.399588349e+02 1.399588349e+02 1.40 1.289473307e+02 1.289473307e+02 1.42 1.187559142e+02 1.187559142e+02 1.44 1.093192672e+02 1.093192672e+02 1.46 1.005791217e+02 1.005791217e+02 1.48 9.248310057e+01 9.248310057e+01 1.50 8.498322463e+01 8.498322463e+01 1.52 7.803472881e+01 7.803472881e+01 1.54 7.159556667e+01 7.159556667e+01 1.56 6.562641682e+01 6.562641682e+01 1.58 6.009080601e+01 6.009080601e+01 1.60 5.495514964e+01 5.495514964e+01 1.62 5.018872415e+01 5.018872415e+01 1.64 4.576961075e+01 4.576961075e+01 1.66 4.168896734e+01 4.168896734e+01 1.68 3.792272197e+01 3.792272197e+01 1.70 3.444733847e+01 3.444733847e+01 1.72 3.124095728e+01 3.124095728e+01 1.74 2.828316953e+01 2.828316953e+01 1.76 2.555492143e+01 2.555492143e+01 1.78 2.303853378e+01 2.303853378e+01 1.80 2.071776787e+01 2.071776787e+01 1.82 1.857782916e+01 1.857782916e+01 1.84 1.660525351e+01 1.660525351e+01 1.86 1.478771800e+01 1.478771800e+01 1.88 1.311385491e+01 1.311385491e+01 1.90 1.157311362e+01 1.157311362e+01 1.92 1.015567443e+01 1.015567443e+01 1.94 8.852399883e+00 8.852399883e+00 1.96 7.654802213e+00 7.654802213e+00 1.98 6.555005378e+00 6.555005378e+00 2.00 5.545697731e+00 5.545697731e+00 2.02 4.620089673e+00 4.620089673e+00 2.04 3.771884695e+00 3.771884695e+00 2.06 2.995254259e+00 2.995254259e+00 2.08 2.284805247e+00 2.284805247e+00 2.10 1.635540776e+00 1.635540776e+00 2.12 1.042823154e+00 1.042823154e+00 2.14 5.023465056e-01 5.023465056e-01 2.16 1.012166584e-02 1.012166584e-02 2.18 -4.375292537e-01 -4.375292537e-01 2.20 -8.439755925e-01 -8.439755925e-01 2.22 -1.212286604e+00 -1.212286604e+00 2.24 -1.545250587e+00 -1.545250587e+00 2.26 -1.845403784e+00 -1.845403784e+00 2.28 -2.115064381e+00 -2.115064381e+00 2.30 -2.356366795e+00 -2.356366795e+00 2.32 -2.571292983e+00 -2.571292983e+00 2.34 -2.761699086e+00 -2.761699086e+00 2.36 -2.929336706e+00 -2.929336706e+00 2.38 -3.075868933e+00 -3.075868933e+00 2.40 -3.202882078e+00 -3.202882078e+00 2.42 -3.311898661e+00 -3.311898661e+00 2.44 -3.404471292e+00 -3.404471292e+00 2.46 -3.481950792e+00 -3.481950792e+00 2.48 -3.545586929e+00 -3.545586929e+00 2.50 -3.596602561e+00 -3.596602561e+00 2.52 -3.636186193e+00 -3.636186193e+00 2.54 -3.665806370e+00 -3.665806370e+00 2.56 -3.686562194e+00 -3.686562194e+00 2.58 -3.699226688e+00 -3.699226688e+00 2.60 -3.704430984e+00 -3.704430984e+00 2.62 -3.702747864e+00 -3.702747864e+00 2.64 -3.694737211e+00 -3.694737211e+00 2.66 -3.680917081e+00 -3.680917081e+00 2.68 -3.661753426e+00 -3.661753426e+00 2.70 -3.637691857e+00 -3.637691857e+00 2.72 -3.609129356e+00 -3.609129356e+00 2.74 -3.576501842e+00 -3.576501842e+00 2.76 -3.540039905e+00 -3.540039905e+00 2.78 -3.499909511e+00 -3.499909511e+00 2.80 -3.456292728e+00 -3.456292728e+00 2.82 -3.409390353e+00 -3.409390353e+00 2.84 -3.359423082e+00 -3.359423082e+00 2.86 -3.306631709e+00 -3.306631709e+00 2.88 -3.251276842e+00 -3.251276842e+00 2.90 -3.193642835e+00 -3.193642835e+00 2.92 -3.134032237e+00 -3.134032237e+00 2.94 -3.072755606e+00 -3.072755606e+00 2.96 -3.010126742e+00 -3.010126742e+00 2.98 -2.946458292e+00 -2.946458292e+00 3.00 -2.882057966e+00 -2.882057966e+00 3.02 -2.817224909e+00 -2.817224909e+00 3.04 -2.752245086e+00 -2.752245086e+00 3.06 -2.687384775e+00 -2.687384775e+00 3.08 -2.622882393e+00 -2.622882393e+00 3.10 -2.558940389e+00 -2.558940389e+00 3.12 -2.495719534e+00 -2.495719534e+00 3.14 -2.433337415e+00 -2.433337415e+00 3.16 -2.371871514e+00 -2.371871514e+00 3.18 -2.311365868e+00 -2.311365868e+00 3.20 -2.251839541e+00 -2.251839541e+00 3.22 -2.193295212e+00 -2.193295212e+00 3.24 -2.135726654e+00 -2.135726654e+00 3.26 -2.079124529e+00 -2.079124529e+00 3.28 -2.023480378e+00 -2.023480378e+00 3.30 -1.968789020e+00 -1.968789020e+00 3.32 -1.915049670e+00 -1.915049670e+00 3.34 -1.862266115e+00 -1.862266115e+00 3.36 -1.810446240e+00 -1.810446240e+00 3.38 -1.759601155e+00 -1.759601155e+00 3.40 -1.709744097e+00 -1.709744097e+00 3.42 -1.660889257e+00 -1.660889257e+00 3.44 -1.613050623e+00 -1.613050623e+00 3.46 -1.566240919e+00 -1.566240919e+00 3.48 -1.520470671e+00 -1.520470671e+00 3.50 -1.475747447e+00 -1.475747447e+00 3.52 -1.432075252e+00 -1.432075252e+00 3.54 -1.389454106e+00 -1.389454106e+00 3.56 -1.347879781e+00 -1.347879781e+00 3.58 -1.307343702e+00 -1.307343702e+00 3.60 -1.267832993e+00 -1.267832993e+00 3.62 -1.229330691e+00 -1.229330691e+00 3.64 -1.191816082e+00 -1.191816082e+00 3.66 -1.155265193e+00 -1.155265193e+00 3.68 -1.119651380e+00 -1.119651380e+00 3.70 -1.084946014e+00 -1.084946014e+00 3.72 -1.051119204e+00 -1.051119204e+00 3.74 -1.018140522e+00 -1.018140522e+00 3.76 -9.859796655e-01 -9.859796655e-01 3.78 -9.546070287e-01 -9.546070287e-01 3.80 -9.239941385e-01 -9.239941385e-01 3.82 -8.941139485e-01 -8.941139485e-01 3.84 -8.649409942e-01 -8.649409942e-01 3.86 -8.364514343e-01 -8.364514343e-01 3.88 -8.086230155e-01 -8.086230155e-01 3.90 -7.814350040e-01 -7.814350040e-01 3.92 -7.548681273e-01 -7.548681273e-01 3.94 -7.289045685e-01 -7.289045685e-01 3.96 -7.035280287e-01 -7.035280287e-01 3.98 -6.787238802e-01 -6.787238802e-01 4.00 -6.544793903e-01 -6.544793903e-01 4.02 -6.307839909e-01 -6.307839909e-01 4.04 -6.076295485e-01 -6.076295485e-01 4.06 -5.850105795e-01 -5.850105795e-01 4.08 -5.629243585e-01 -5.629243585e-01 4.10 -5.413708802e-01 -5.413708802e-01 4.12 -5.203526719e-01 -5.203526719e-01 4.14 -4.998744544e-01 -4.998744544e-01 4.16 -4.799427274e-01 -4.799427274e-01 4.18 -4.605653159e-01 -4.605653159e-01 4.20 -4.417509335e-01 -4.417509335e-01 4.22 -4.235087769e-01 -4.235087769e-01 4.24 -4.058481211e-01 -4.058481211e-01 4.26 -3.887778520e-01 -3.887778520e-01 4.28 -3.723058635e-01 -3.723058635e-01 4.30 -3.564382739e-01 -3.564382739e-01 4.32 -3.411784790e-01 -3.411784790e-01 4.34 -3.265261298e-01 -3.265261298e-01 4.36 -3.124761784e-01 -3.124761784e-01 4.38 -2.990181562e-01 -2.990181562e-01 4.40 -2.861358162e-01 -2.861358162e-01 4.42 -2.738072113e-01 -2.738072113e-01 4.44 -2.620052020e-01 -2.620052020e-01 4.46 -2.506983191e-01 -2.506983191e-01 4.48 -2.398518670e-01 -2.398518670e-01 4.50 -2.294291413e-01 -2.294291413e-01 4.52 -2.193926494e-01 -2.193926494e-01 4.54 -2.097052505e-01 -2.097052505e-01 4.56 -2.003311631e-01 -2.003311631e-01 4.58 -1.912368173e-01 -1.912368173e-01 4.60 -1.823915471e-01 -1.823915471e-01 4.62 -1.737681307e-01 -1.737681307e-01 4.64 -1.653431881e-01 -1.653431881e-01 4.66 -1.570974452e-01 -1.570974452e-01 4.68 -1.490158711e-01 -1.490158711e-01 4.70 -1.410876933e-01 -1.410876933e-01 4.72 -1.333062966e-01 -1.333062966e-01 4.74 -1.256690195e-01 -1.256690195e-01 4.76 -1.181768640e-01 -1.181768640e-01 4.78 -1.108341478e-01 -1.108341478e-01 4.80 -1.036481278e-01 -1.036481278e-01 4.82 -9.662862674e-02 -9.662862674e-02 4.84 -8.978767048e-02 -8.978767048e-02 4.86 -8.313915393e-02 -8.313915393e-02 4.88 -7.669850359e-02 -7.669850359e-02 4.90 -7.048230623e-02 -7.048230623e-02 4.92 -6.450786682e-02 -6.450786682e-02 4.94 -5.879265535e-02 -5.879265535e-02 4.96 -5.335363065e-02 -5.335363065e-02 4.98 -4.820646229e-02 -4.820646229e-02 5.00 -4.336469707e-02 -4.336469707e-02 5.02 -3.883895063e-02 -3.883895063e-02 5.04 -3.463621619e-02 -3.463621619e-02 5.06 -3.075937262e-02 -3.075937262e-02 5.08 -2.720675672e-02 -2.720675672e-02 5.10 -2.397242940e-02 -2.397242940e-02 5.12 -2.104681972e-02 -2.104681972e-02 5.14 -1.841652633e-02 -1.841652633e-02 5.16 -1.606546002e-02 -1.606546002e-02 5.18 -1.397550040e-02 -1.397550040e-02 5.20 -1.212704189e-02 -1.212704189e-02 5.22 -1.049972555e-02 -1.049972555e-02 5.24 -9.073078232e-03 -9.073078232e-03 5.26 -7.827038984e-03 -7.827038984e-03 5.28 -6.742366772e-03 -6.742366772e-03 5.30 -5.800934341e-03 -5.800934341e-03 5.32 -4.985920034e-03 -4.985920034e-03 5.34 -4.281913193e-03 -4.281913193e-03 5.36 -3.674949969e-03 -3.674949969e-03 5.38 -3.152495875e-03 -3.152495875e-03 5.40 -2.703389774e-03 -2.703389774e-03 5.42 -2.317761845e-03 -2.317761845e-03 5.44 -1.986935708e-03 -1.986935708e-03 5.46 -1.703322662e-03 -1.703322662e-03 5.48 -1.460313991e-03 -1.460313991e-03 5.50 -1.252175565e-03 -1.252175565e-03 5.52 -1.073947613e-03 -1.073947613e-03 5.54 -9.213514467e-04 -9.213514467e-04 5.56 -7.907040744e-04 -7.907040744e-04 5.58 -6.788410965e-04 -6.788410965e-04 5.60 -5.830477998e-04 -5.830477998e-04 5.62 -5.009981250e-04 -5.009981250e-04 5.64 -4.307009921e-04 -4.307009921e-04 5.66 -3.704533763e-04 -3.704533763e-04 5.68 -3.187994872e-04 -3.187994872e-04 5.70 -2.744954025e-04 -2.744954025e-04 5.72 -2.364785328e-04 -2.364785328e-04 5.74 -2.038413302e-04 -2.038413302e-04 5.76 -1.758087048e-04 -1.758087048e-04 5.78 -1.517186637e-04 -1.517186637e-04 5.80 -1.310057377e-04 -1.310057377e-04 5.82 -1.131868137e-04 -1.131868137e-04 5.84 -9.784903499e-05 -9.784903499e-05 5.86 -8.463947505e-05 -8.463947505e-05 5.88 -7.325633216e-05 -7.325633216e-05 5.90 -6.344142214e-05 -6.344142214e-05 5.92 -5.497378075e-05 -5.497378075e-05 5.94 -4.766421223e-05 -4.766421223e-05 5.96 -4.135064449e-05 -4.135064449e-05 5.98 -3.589417143e-05 -3.589417143e-05 6.00 -3.117568033e-05 -3.117568033e-05