# 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 = CoFePd2 # 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 2.417493785e+02 2.417493785e+02 1.30 2.226762776e+02 2.226762776e+02 1.32 2.050743960e+02 2.050743960e+02 1.34 1.888261003e+02 1.888261003e+02 1.36 1.738233631e+02 1.738233631e+02 1.38 1.599655068e+02 1.599655068e+02 1.40 1.471585739e+02 1.471585739e+02 1.42 1.353157267e+02 1.353157267e+02 1.44 1.243580977e+02 1.243580977e+02 1.46 1.142153570e+02 1.142153570e+02 1.48 1.048250425e+02 1.048250425e+02 1.50 9.613065315e+01 9.613065315e+01 1.52 8.807966948e+01 8.807966948e+01 1.54 8.062245775e+01 8.062245775e+01 1.56 7.371202785e+01 7.371202785e+01 1.58 6.730419397e+01 6.730419397e+01 1.60 6.135790254e+01 6.135790254e+01 1.62 5.583569118e+01 5.583569118e+01 1.64 5.070414384e+01 5.070414384e+01 1.66 4.594902959e+01 4.594902959e+01 1.68 4.157285934e+01 4.157285934e+01 1.70 3.754937933e+01 3.754937933e+01 1.72 3.385335263e+01 3.385335263e+01 1.74 3.046084138e+01 3.046084138e+01 1.76 2.734891195e+01 2.734891195e+01 1.78 2.449569685e+01 2.449569685e+01 1.80 2.188062538e+01 2.188062538e+01 1.82 1.948461454e+01 1.948461454e+01 1.84 1.729009432e+01 1.729009432e+01 1.86 1.528086788e+01 1.528086788e+01 1.88 1.344190186e+01 1.344190186e+01 1.90 1.175916803e+01 1.175916803e+01 1.92 1.021960638e+01 1.021960638e+01 1.94 8.811183855e+00 8.811183855e+00 1.96 7.522952621e+00 7.522952621e+00 1.98 6.345024007e+00 6.345024007e+00 2.00 5.268451106e+00 5.268451106e+00 2.02 4.285080063e+00 4.285080063e+00 2.04 3.387431965e+00 3.387431965e+00 2.06 2.568633663e+00 2.568633663e+00 2.08 1.822379847e+00 1.822379847e+00 2.10 1.142902902e+00 1.142902902e+00 2.12 5.249383862e-01 5.249383862e-01 2.14 -3.631494340e-02 -3.631494340e-02 2.16 -5.452366631e-01 -5.452366631e-01 2.18 -1.005823765e+00 -1.005823765e+00 2.20 -1.421725796e+00 -1.421725796e+00 2.22 -1.796276995e+00 -1.796276995e+00 2.24 -2.132526963e+00 -2.132526963e+00 2.26 -2.433270665e+00 -2.433270665e+00 2.28 -2.701078036e+00 -2.701078036e+00 2.30 -2.938323583e+00 -2.938323583e+00 2.32 -3.147216224e+00 -3.147216224e+00 2.34 -3.329828745e+00 -3.329828745e+00 2.36 -3.488125112e+00 -3.488125112e+00 2.38 -3.623983213e+00 -3.623983213e+00 2.40 -3.739211181e+00 -3.739211181e+00 2.42 -3.835558921e+00 -3.835558921e+00 2.44 -3.914767936e+00 -3.914767936e+00 2.46 -3.978443067e+00 -3.978443067e+00 2.48 -4.028096839e+00 -4.028096839e+00 2.50 -4.065177129e+00 -4.065177129e+00 2.52 -4.091106561e+00 -4.091106561e+00 2.54 -4.107885073e+00 -4.107885073e+00 2.56 -4.116441615e+00 -4.116441615e+00 2.58 -4.117305779e+00 -4.117305779e+00 2.60 -4.110900746e+00 -4.110900746e+00 2.62 -4.097615835e+00 -4.097615835e+00 2.64 -4.077825669e+00 -4.077825669e+00 2.66 -4.051884323e+00 -4.051884323e+00 2.68 -4.020159697e+00 -4.020159697e+00 2.70 -3.983089508e+00 -3.983089508e+00 2.72 -3.941080452e+00 -3.941080452e+00 2.74 -3.894489859e+00 -3.894489859e+00 2.76 -3.843566931e+00 -3.843566931e+00 2.78 -3.788536537e+00 -3.788536537e+00 2.80 -3.729651669e+00 -3.729651669e+00 2.82 -3.667198068e+00 -3.667198068e+00 2.84 -3.601497523e+00 -3.601497523e+00 2.86 -3.532908991e+00 -3.532908991e+00 2.88 -3.461826217e+00 -3.461826217e+00 2.90 -3.388670551e+00 -3.388670551e+00 2.92 -3.313878444e+00 -3.313878444e+00 2.94 -3.237884458e+00 -3.237884458e+00 2.96 -3.161102236e+00 -3.161102236e+00 2.98 -3.083906921e+00 -3.083906921e+00 3.00 -3.006622357e+00 -3.006622357e+00 3.02 -2.929514917e+00 -2.929514917e+00 3.04 -2.852793817e+00 -2.852793817e+00 3.06 -2.776616300e+00 -2.776616300e+00 3.08 -2.701095695e+00 -2.701095695e+00 3.10 -2.626310912e+00 -2.626310912e+00 3.12 -2.552316552e+00 -2.552316552e+00 3.14 -2.479153177e+00 -2.479153177e+00 3.16 -2.406857100e+00 -2.406857100e+00 3.18 -2.335468936e+00 -2.335468936e+00 3.20 -2.265040080e+00 -2.265040080e+00 3.22 -2.195636559e+00 -2.195636559e+00 3.24 -2.127340037e+00 -2.127340037e+00 3.26 -2.060246133e+00 -2.060246133e+00 3.28 -1.994460461e+00 -1.994460461e+00 3.30 -1.930093055e+00 -1.930093055e+00 3.32 -1.867251937e+00 -1.867251937e+00 3.34 -1.806036643e+00 -1.806036643e+00 3.36 -1.746532469e+00 -1.746532469e+00 3.38 -1.688806024e+00 -1.688806024e+00 3.40 -1.632902478e+00 -1.632902478e+00 3.42 -1.578844577e+00 -1.578844577e+00 3.44 -1.526633315e+00 -1.526633315e+00 3.46 -1.476249903e+00 -1.476249903e+00 3.48 -1.427658639e+00 -1.427658639e+00 3.50 -1.380810214e+00 -1.380810214e+00 3.52 -1.335645092e+00 -1.335645092e+00 3.54 -1.292096657e+00 -1.292096657e+00 3.56 -1.250093954e+00 -1.250093954e+00 3.58 -1.209563937e+00 -1.209563937e+00 3.60 -1.170433206e+00 -1.170433206e+00 3.62 -1.132629302e+00 -1.132629302e+00 3.64 -1.096081612e+00 -1.096081612e+00 3.66 -1.060721985e+00 -1.060721985e+00 3.68 -1.026485137e+00 -1.026485137e+00 3.70 -9.933088943e-01 -9.933088943e-01 3.72 -9.611343419e-01 -9.611343419e-01 3.74 -9.299058940e-01 -9.299058940e-01 3.76 -8.995713041e-01 -8.995713041e-01 3.78 -8.700816252e-01 -8.700816252e-01 3.80 -8.413911285e-01 -8.413911285e-01 3.82 -8.134571933e-01 -8.134571933e-01 3.84 -7.862401870e-01 -7.862401870e-01 3.86 -7.597033641e-01 -7.597033641e-01 3.88 -7.338128149e-01 -7.338128149e-01 3.90 -7.085374968e-01 -7.085374968e-01 3.92 -6.838493751e-01 -6.838493751e-01 3.94 -6.597236900e-01 -6.597236900e-01 3.96 -6.361393436e-01 -6.361393436e-01 3.98 -6.130793824e-01 -6.130793824e-01 4.00 -5.905315179e-01 -5.905315179e-01 4.02 -5.684886009e-01 -5.684886009e-01 4.04 -5.469489441e-01 -5.469489441e-01 4.06 -5.259163786e-01 -5.259163786e-01 4.08 -5.053999412e-01 -5.053999412e-01 4.10 -4.854131292e-01 -4.854131292e-01 4.12 -4.659727232e-01 -4.659727232e-01 4.14 -4.470972408e-01 -4.470972408e-01 4.16 -4.288051821e-01 -4.288051821e-01 4.18 -4.111132499e-01 -4.111132499e-01 4.20 -3.940347483e-01 -3.940347483e-01 4.22 -3.775783233e-01 -3.775783233e-01 4.24 -3.617471303e-01 -3.617471303e-01 4.26 -3.465384310e-01 -3.465384310e-01 4.28 -3.319435487e-01 -3.319435487e-01 4.30 -3.179480784e-01 -3.179480784e-01 4.32 -3.045322493e-01 -3.045322493e-01 4.34 -2.916713787e-01 -2.916713787e-01 4.36 -2.793363944e-01 -2.793363944e-01 4.38 -2.674944385e-01 -2.674944385e-01 4.40 -2.561095718e-01 -2.561095718e-01 4.42 -2.451435895e-01 -2.451435895e-01 4.44 -2.345569320e-01 -2.345569320e-01 4.46 -2.243096593e-01 -2.243096593e-01 4.48 -2.143624442e-01 -2.143624442e-01 4.50 -2.046775457e-01 -2.046775457e-01 4.52 -1.952197309e-01 -1.952197309e-01 4.54 -1.859571332e-01 -1.859571332e-01 4.56 -1.768620373e-01 -1.768620373e-01 4.58 -1.679115898e-01 -1.679115898e-01 4.60 -1.590884265e-01 -1.590884265e-01 4.62 -1.503811963e-01 -1.503811963e-01 4.64 -1.417849483e-01 -1.417849483e-01 4.66 -1.333013386e-01 -1.333013386e-01 4.68 -1.249386048e-01 -1.249386048e-01 4.70 -1.167112551e-01 -1.167112551e-01 4.72 -1.086394413e-01 -1.086394413e-01 4.74 -1.007480046e-01 -1.007480046e-01 4.76 -9.306522391e-02 -9.306522391e-02 4.78 -8.562133561e-02 -8.562133561e-02 4.80 -7.844693044e-02 -7.844693044e-02 4.82 -7.157135195e-02 -7.157135195e-02 4.84 -6.502122735e-02 -6.502122735e-02 4.86 -5.881925269e-02 -5.881925269e-02 4.88 -5.298330525e-02 -5.298330525e-02 4.90 -4.752591826e-02 -4.752591826e-02 4.92 -4.245410410e-02 -4.245410410e-02 4.94 -3.776947675e-02 -3.776947675e-02 4.96 -3.346851930e-02 -3.346851930e-02 4.98 -2.954317884e-02 -2.954317884e-02 5.00 -2.598156089e-02 -2.598156089e-02 5.02 -2.276841616e-02 -2.276841616e-02 5.04 -1.988542086e-02 -1.988542086e-02 5.06 -1.731236680e-02 -1.731236680e-02 5.08 -1.502810110e-02 -1.502810110e-02 5.10 -1.301036367e-02 -1.301036367e-02 5.12 -1.123640982e-02 -1.123640982e-02 5.14 -9.683560813e-03 -9.683560813e-03 5.16 -8.329671069e-03 -8.329671069e-03 5.18 -7.153507377e-03 -7.153507377e-03 5.20 -6.135038376e-03 -6.135038376e-03 5.22 -5.255637051e-03 -5.255637051e-03 5.24 -4.498203142e-03 -4.498203142e-03 5.26 -3.847215730e-03 -3.847215730e-03 5.28 -3.288728294e-03 -3.288728294e-03 5.30 -2.810319132e-03 -2.810319132e-03 5.32 -2.401009536e-03 -2.401009536e-03 5.34 -2.051160756e-03 -2.051160756e-03 5.36 -1.752359010e-03 -1.752359010e-03 5.38 -1.497295885e-03 -1.497295885e-03 5.40 -1.279649627e-03 -1.279649627e-03 5.42 -1.093971213e-03 -1.093971213e-03 5.44 -9.355777124e-04 -9.355777124e-04 5.46 -8.004544242e-04 -8.004544242e-04 5.48 -6.851664152e-04 -6.851664152e-04 5.50 -5.867795567e-04 -5.867795567e-04 5.52 -5.027907333e-04 -5.027907333e-04 5.54 -4.310666607e-04 -4.310666607e-04 5.56 -3.697906072e-04 -3.697906072e-04 5.58 -3.174162493e-04 -3.174162493e-04 5.60 -2.726278859e-04 -2.726278859e-04 5.62 -2.343062587e-04 -2.343062587e-04 5.64 -2.014992778e-04 -2.014992778e-04 5.66 -1.733970070e-04 -1.733970070e-04 5.68 -1.493103323e-04 -1.493103323e-04 5.70 -1.286527967e-04 -1.286527967e-04 5.72 -1.109251529e-04 -1.109251529e-04 5.74 -9.570223615e-05 -9.570223615e-05 5.76 -8.262181873e-05 -8.262181873e-05 5.78 -7.137514945e-05 -7.137514945e-05 5.80 -6.169892703e-05 -6.169892703e-05 5.82 -5.336849039e-05 -5.336849039e-05 5.84 -4.619204159e-05 -4.619204159e-05 5.86 -4.000574433e-05 -4.000574433e-05 5.88 -3.466956465e-05 -3.466956465e-05 5.90 -3.006374042e-05 -3.006374042e-05 5.92 -2.608578363e-05 -2.608578363e-05 5.94 -2.264793416e-05 -2.264793416e-05 5.96 -1.967499598e-05 -1.967499598e-05 5.98 -1.710249762e-05 -1.710249762e-05 6.00 -1.487512746e-05 -1.487512746e-05