# 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 = CoFeMo2 # 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 2.296259924e+02 2.296259924e+02 1.30 2.109816882e+02 2.109816882e+02 1.32 1.938346652e+02 1.938346652e+02 1.34 1.780486822e+02 1.780486822e+02 1.36 1.634985289e+02 1.634985289e+02 1.38 1.500712310e+02 1.500712310e+02 1.40 1.376671149e+02 1.376671149e+02 1.42 1.261998292e+02 1.261998292e+02 1.44 1.155949718e+02 1.155949718e+02 1.46 1.057879206e+02 1.057879206e+02 1.48 9.672171741e+01 9.672171741e+01 1.50 8.834531535e+01 8.834531535e+01 1.52 8.061211495e+01 8.061211495e+01 1.54 7.347881149e+01 7.347881149e+01 1.56 6.690463876e+01 6.690463876e+01 1.58 6.085093634e+01 6.085093634e+01 1.60 5.528087628e+01 5.528087628e+01 1.62 5.015925092e+01 5.015925092e+01 1.64 4.545231127e+01 4.545231127e+01 1.66 4.112768847e+01 4.112768847e+01 1.68 3.715442276e+01 3.715442276e+01 1.70 3.350306802e+01 3.350306802e+01 1.72 3.014586699e+01 3.014586699e+01 1.74 2.706095856e+01 2.706095856e+01 1.76 2.422620899e+01 2.422620899e+01 1.78 2.161940057e+01 2.161940057e+01 1.80 1.921985977e+01 1.921985977e+01 1.82 1.700917810e+01 1.700917810e+01 1.84 1.497147047e+01 1.497147047e+01 1.86 1.309327575e+01 1.309327575e+01 1.88 1.136323783e+01 1.136323783e+01 1.90 9.771620751e+00 9.771620751e+00 1.92 8.309772249e+00 8.309772249e+00 1.94 6.969660654e+00 6.969660654e+00 1.96 5.743562151e+00 5.743562151e+00 1.98 4.623903239e+00 4.623903239e+00 2.00 3.603215287e+00 3.603215287e+00 2.02 2.674148692e+00 2.674148692e+00 2.04 1.829506526e+00 1.829506526e+00 2.06 1.062278758e+00 1.062278758e+00 2.08 3.656797705e-01 3.656797705e-01 2.10 -2.667978435e-01 -2.667978435e-01 2.12 -8.413056680e-01 -8.413056680e-01 2.14 -1.363544724e+00 -1.363544724e+00 2.16 -1.838673372e+00 -1.838673372e+00 2.18 -2.271242680e+00 -2.271242680e+00 2.20 -2.665178569e+00 -2.665178569e+00 2.22 -3.023816295e+00 -3.023816295e+00 2.24 -3.349977196e+00 -3.349977196e+00 2.26 -3.646067677e+00 -3.646067677e+00 2.28 -3.914179394e+00 -3.914179394e+00 2.30 -4.156175456e+00 -4.156175456e+00 2.32 -4.373755480e+00 -4.373755480e+00 2.34 -4.568498962e+00 -4.568498962e+00 2.36 -4.741890523e+00 -4.741890523e+00 2.38 -4.895332206e+00 -4.895332206e+00 2.40 -5.030148009e+00 -5.030148009e+00 2.42 -5.147521123e+00 -5.147521123e+00 2.44 -5.248368898e+00 -5.248368898e+00 2.46 -5.334053636e+00 -5.334053636e+00 2.48 -5.405879389e+00 -5.405879389e+00 2.50 -5.465017474e+00 -5.465017474e+00 2.52 -5.512519646e+00 -5.512519646e+00 2.54 -5.549330629e+00 -5.549330629e+00 2.56 -5.576300283e+00 -5.576300283e+00 2.58 -5.594039606e+00 -5.594039606e+00 2.60 -5.602659833e+00 -5.602659833e+00 2.62 -5.602255731e+00 -5.602255731e+00 2.64 -5.592936957e+00 -5.592936957e+00 2.66 -5.574779794e+00 -5.574779794e+00 2.68 -5.547878958e+00 -5.547878958e+00 2.70 -5.512345112e+00 -5.512345112e+00 2.72 -5.468307692e+00 -5.468307692e+00 2.74 -5.415920208e+00 -5.415920208e+00 2.76 -5.355365804e+00 -5.355365804e+00 2.78 -5.286847466e+00 -5.286847466e+00 2.80 -5.210549051e+00 -5.210549051e+00 2.82 -5.126697438e+00 -5.126697438e+00 2.84 -5.035587241e+00 -5.035587241e+00 2.86 -4.937595045e+00 -4.937595045e+00 2.88 -4.833187541e+00 -4.833187541e+00 2.90 -4.722927287e+00 -4.722927287e+00 2.92 -4.607473672e+00 -4.607473672e+00 2.94 -4.487576684e+00 -4.487576684e+00 2.96 -4.364061366e+00 -4.364061366e+00 2.98 -4.237755814e+00 -4.237755814e+00 3.00 -4.109425634e+00 -4.109425634e+00 3.02 -3.979824750e+00 -3.979824750e+00 3.04 -3.849663227e+00 -3.849663227e+00 3.06 -3.719568135e+00 -3.719568135e+00 3.08 -3.590053371e+00 -3.590053371e+00 3.10 -3.461502143e+00 -3.461502143e+00 3.12 -3.334163777e+00 -3.334163777e+00 3.14 -3.208164133e+00 -3.208164133e+00 3.16 -3.083526776e+00 -3.083526776e+00 3.18 -2.960200819e+00 -2.960200819e+00 3.20 -2.838091193e+00 -2.838091193e+00 3.22 -2.717087788e+00 -2.717087788e+00 3.24 -2.597091032e+00 -2.597091032e+00 3.26 -2.478032674e+00 -2.478032674e+00 3.28 -2.359891501e+00 -2.359891501e+00 3.30 -2.242704353e+00 -2.242704353e+00 3.32 -2.126573077e+00 -2.126573077e+00 3.34 -2.011668021e+00 -2.011668021e+00 3.36 -1.898228341e+00 -1.898228341e+00 3.38 -1.786559033e+00 -1.786559033e+00 3.40 -1.677024289e+00 -1.677024289e+00 3.42 -1.570036658e+00 -1.570036658e+00 3.44 -1.466041833e+00 -1.466041833e+00 3.46 -1.365499361e+00 -1.365499361e+00 3.48 -1.268860425e+00 -1.268860425e+00 3.50 -1.176544459e+00 -1.176544459e+00 3.52 -1.088916870e+00 -1.088916870e+00 3.54 -1.006270149e+00 -1.006270149e+00 3.56 -9.288102272e-01 -9.288102272e-01 3.58 -8.566492395e-01 -8.566492395e-01 3.60 -7.898049202e-01 -7.898049202e-01 3.62 -7.282060373e-01 -7.282060373e-01 3.64 -6.717026277e-01 -6.717026277e-01 3.66 -6.200794552e-01 -6.200794552e-01 3.68 -5.730710547e-01 -5.730710547e-01 3.70 -5.303769107e-01 -5.303769107e-01 3.72 -4.916756321e-01 -4.916756321e-01 3.74 -4.566373657e-01 -4.566373657e-01 3.76 -4.249340407e-01 -4.249340407e-01 3.78 -3.962473373e-01 -3.962473373e-01 3.80 -3.702744861e-01 -3.702744861e-01 3.82 -3.467321392e-01 -3.467321392e-01 3.84 -3.253586238e-01 -3.253586238e-01 3.86 -3.059149055e-01 -3.059149055e-01 3.88 -2.881845717e-01 -2.881845717e-01 3.90 -2.719731079e-01 -2.719731079e-01 3.92 -2.571066990e-01 -2.571066990e-01 3.94 -2.434307391e-01 -2.434307391e-01 3.96 -2.308081942e-01 -2.308081942e-01 3.98 -2.191179268e-01 -2.191179268e-01 4.00 -2.082530589e-01 -2.082530589e-01 4.02 -1.981194356e-01 -1.981194356e-01 4.04 -1.886342220e-01 -1.886342220e-01 4.06 -1.797245834e-01 -1.797245834e-01 4.08 -1.713266815e-01 -1.713266815e-01 4.10 -1.633850401e-01 -1.633850401e-01 4.12 -1.558515287e-01 -1.558515287e-01 4.14 -1.486848343e-01 -1.486848343e-01 4.16 -1.418500616e-01 -1.418500616e-01 4.18 -1.353184088e-01 -1.353184088e-01 4.20 -1.290668626e-01 -1.290668626e-01 4.22 -1.230778468e-01 -1.230778468e-01 4.24 -1.173387535e-01 -1.173387535e-01 4.26 -1.118413001e-01 -1.118413001e-01 4.28 -1.065806843e-01 -1.065806843e-01 4.30 -1.015545511e-01 -1.015545511e-01 4.32 -9.676184513e-02 -9.676184513e-02 4.34 -9.220165078e-02 -9.220165078e-02 4.36 -8.787215116e-02 -8.787215116e-02 4.38 -8.376950376e-02 -8.376950376e-02 4.40 -7.988798859e-02 -7.988798859e-02 4.42 -7.621981063e-02 -7.621981063e-02 4.44 -7.275482823e-02 -7.275482823e-02 4.46 -6.948095314e-02 -6.948095314e-02 4.48 -6.638467293e-02 -6.638467293e-02 4.50 -6.345160308e-02 -6.345160308e-02 4.52 -6.066699784e-02 -6.066699784e-02 4.54 -5.801617620e-02 -5.801617620e-02 4.56 -5.548484559e-02 -5.548484559e-02 4.58 -5.305932564e-02 -5.305932564e-02 4.60 -5.072668669e-02 -5.072668669e-02 4.62 -4.847482753e-02 -4.847482753e-02 4.64 -4.629251165e-02 -4.629251165e-02 4.66 -4.416938577e-02 -4.416938577e-02 4.68 -4.209599986e-02 -4.209599986e-02 4.70 -4.006384315e-02 -4.006384315e-02 4.72 -3.806540686e-02 -3.806540686e-02 4.74 -3.609427957e-02 -3.609427957e-02 4.76 -3.414527642e-02 -3.414527642e-02 4.78 -3.221459681e-02 -3.221459681e-02 4.80 -3.029999549e-02 -3.029999549e-02 4.82 -2.840095705e-02 -2.840095705e-02 4.84 -2.651884027e-02 -2.651884027e-02 4.86 -2.465696416e-02 -2.465696416e-02 4.88 -2.282060253e-02 -2.282060253e-02 4.90 -2.101685792e-02 -2.101685792e-02 4.92 -1.925439549e-02 -1.925439549e-02 4.94 -1.754303316e-02 -1.754303316e-02 4.96 -1.589301862e-02 -1.589301862e-02 4.98 -1.431467579e-02 -1.431467579e-02 5.00 -1.281792589e-02 -1.281792589e-02 5.02 -1.141139085e-02 -1.141139085e-02 5.04 -1.010188176e-02 -1.010188176e-02 5.06 -8.894045170e-03 -8.894045170e-03 5.08 -7.790194432e-03 -7.790194432e-03 5.10 -6.790327389e-03 -6.790327389e-03 5.12 -5.892307019e-03 -5.892307019e-03 5.14 -5.092164927e-03 -5.092164927e-03 5.16 -4.384479543e-03 -4.384479543e-03 5.18 -3.762781895e-03 -3.762781895e-03 5.20 -3.219949218e-03 -3.219949218e-03 5.22 -2.748557628e-03 -2.748557628e-03 5.24 -2.341176752e-03 -2.341176752e-03 5.26 -1.990599578e-03 -1.990599578e-03 5.28 -1.690008664e-03 -1.690008664e-03 5.30 -1.433085144e-03 -1.433085144e-03 5.32 -1.214069699e-03 -1.214069699e-03 5.34 -1.027785589e-03 -1.027785589e-03 5.36 -8.696334513e-04 -8.696334513e-04 5.38 -7.355663877e-04 -7.355663877e-04 5.40 -6.220524397e-04 -6.220524397e-04 5.42 -5.260299647e-04 -5.260299647e-04 5.44 -4.448600562e-04 -4.448600562e-04 5.46 -3.762789296e-04 -3.762789296e-04 5.48 -3.183522267e-04 -3.183522267e-04 5.50 -2.694324451e-04 -2.694324451e-04 5.52 -2.281201398e-04 -2.281201398e-04 5.54 -1.932291544e-04 -1.932291544e-04 5.56 -1.637558702e-04 -1.637558702e-04 5.58 -1.388522902e-04 -1.388522902e-04 5.60 -1.178026788e-04 -1.178026788e-04 5.62 -1.000034220e-04 -1.000034220e-04 5.64 -8.494576012e-05 -8.494576012e-05 5.66 -7.220104890e-05 -7.220104890e-05 5.68 -6.140822430e-05 -6.140822430e-05 5.70 -5.226317266e-05 -5.226317266e-05 5.72 -4.450973796e-05 -4.450973796e-05 5.74 -3.793212837e-05 -3.793212837e-05 5.76 -3.234851386e-05 -3.234851386e-05 5.78 -2.760563446e-05 -2.760563446e-05 5.80 -2.357426355e-05 -2.357426355e-05 5.82 -2.014539296e-05 -2.014539296e-05 5.84 -1.722702658e-05 -1.722702658e-05 5.86 -1.474148606e-05 -1.474148606e-05 5.88 -1.262314706e-05 -1.262314706e-05 5.90 -1.081653737e-05 -1.081653737e-05 5.92 -9.274738721e-06 -9.274738721e-06 5.94 -7.958043661e-06 -7.958043661e-06 5.96 -6.832826403e-06 -6.832826403e-06 5.98 -5.870593279e-06 -5.870593279e-06 6.00 -5.047183896e-06 -5.047183896e-06