# 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 = CoMo2Ti # 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 2.505101477e+02 2.505101477e+02 1.30 2.313167589e+02 2.313167589e+02 1.32 2.136048583e+02 2.136048583e+02 1.34 1.972449837e+02 1.972449837e+02 1.36 1.821173644e+02 1.821173644e+02 1.38 1.681131391e+02 1.681131391e+02 1.40 1.551352680e+02 1.551352680e+02 1.42 1.430984504e+02 1.430984504e+02 1.44 1.319280219e+02 1.319280219e+02 1.46 1.215583228e+02 1.215583228e+02 1.48 1.119310614e+02 1.119310614e+02 1.50 1.029939619e+02 1.029939619e+02 1.52 9.469972398e+01 9.469972398e+01 1.54 8.700524724e+01 8.700524724e+01 1.56 7.987104726e+01 7.987104726e+01 1.58 7.326068320e+01 7.326068320e+01 1.60 6.714007351e+01 6.714007351e+01 1.62 6.147680064e+01 6.147680064e+01 1.64 5.623957915e+01 5.623957915e+01 1.66 5.139796737e+01 5.139796737e+01 1.68 4.692233890e+01 4.692233890e+01 1.70 4.278408965e+01 4.278408965e+01 1.72 3.895597327e+01 3.895597327e+01 1.74 3.541241641e+01 3.541241641e+01 1.76 3.212972139e+01 3.212972139e+01 1.78 2.908617150e+01 2.908617150e+01 1.80 2.626376233e+01 2.626376233e+01 1.82 2.364886944e+01 2.364886944e+01 1.84 2.122659635e+01 2.122659635e+01 1.86 1.898325333e+01 1.898325333e+01 1.88 1.690666954e+01 1.690666954e+01 1.90 1.498604335e+01 1.498604335e+01 1.92 1.321152765e+01 1.321152765e+01 1.94 1.157389345e+01 1.157389345e+01 1.96 1.006433095e+01 1.006433095e+01 1.98 8.674374790e+00 8.674374790e+00 2.00 7.395887612e+00 7.395887612e+00 2.02 6.221041081e+00 6.221041081e+00 2.04 5.142275587e+00 5.142275587e+00 2.06 4.152259963e+00 4.152259963e+00 2.08 3.243884873e+00 3.243884873e+00 2.10 2.410307279e+00 2.410307279e+00 2.12 1.645036373e+00 1.645036373e+00 2.14 9.420349525e-01 9.420349525e-01 2.16 2.958088395e-01 2.958088395e-01 2.18 -2.985383460e-01 -2.985383460e-01 2.20 -8.452989721e-01 -8.452989721e-01 2.22 -1.348205568e+00 -1.348205568e+00 2.24 -1.810511801e+00 -1.810511801e+00 2.26 -2.235087544e+00 -2.235087544e+00 2.28 -2.624506305e+00 -2.624506305e+00 2.30 -2.981111817e+00 -2.981111817e+00 2.32 -3.307062218e+00 -3.307062218e+00 2.34 -3.604354872e+00 -3.604354872e+00 2.36 -3.874840630e+00 -3.874840630e+00 2.38 -4.120234524e+00 -4.120234524e+00 2.40 -4.342128201e+00 -4.342128201e+00 2.42 -4.542004296e+00 -4.542004296e+00 2.44 -4.721249731e+00 -4.721249731e+00 2.46 -4.881165359e+00 -4.881165359e+00 2.48 -5.022970815e+00 -5.022970815e+00 2.50 -5.147805637e+00 -5.147805637e+00 2.52 -5.256728797e+00 -5.256728797e+00 2.54 -5.350719009e+00 -5.350719009e+00 2.56 -5.430589882e+00 -5.430589882e+00 2.58 -5.496976975e+00 -5.496976975e+00 2.60 -5.550881367e+00 -5.550881367e+00 2.62 -5.593231818e+00 -5.593231818e+00 2.64 -5.624853730e+00 -5.624853730e+00 2.66 -5.646480317e+00 -5.646480317e+00 2.68 -5.658769412e+00 -5.658769412e+00 2.70 -5.662339825e+00 -5.662339825e+00 2.72 -5.657747430e+00 -5.657747430e+00 2.74 -5.645099294e+00 -5.645099294e+00 2.76 -5.624331890e+00 -5.624331890e+00 2.78 -5.595454580e+00 -5.595454580e+00 2.80 -5.558562051e+00 -5.558562051e+00 2.82 -5.513823113e+00 -5.513823113e+00 2.84 -5.461474263e+00 -5.461474263e+00 2.86 -5.401817590e+00 -5.401817590e+00 2.88 -5.335187551e+00 -5.335187551e+00 2.90 -5.261916417e+00 -5.261916417e+00 2.92 -5.182375813e+00 -5.182375813e+00 2.94 -5.097016194e+00 -5.097016194e+00 2.96 -5.006386458e+00 -5.006386458e+00 2.98 -4.911119329e+00 -4.911119329e+00 3.00 -4.811909216e+00 -4.811909216e+00 3.02 -4.709482154e+00 -4.709482154e+00 3.04 -4.604558812e+00 -4.604558812e+00 3.06 -4.497814012e+00 -4.497814012e+00 3.08 -4.389837754e+00 -4.389837754e+00 3.10 -4.281104872e+00 -4.281104872e+00 3.12 -4.171958003e+00 -4.171958003e+00 3.14 -4.062606575e+00 -4.062606575e+00 3.16 -3.953139393e+00 -3.953139393e+00 3.18 -3.843547960e+00 -3.843547960e+00 3.20 -3.733754717e+00 -3.733754717e+00 3.22 -3.623642458e+00 -3.623642458e+00 3.24 -3.513082173e+00 -3.513082173e+00 3.26 -3.401957968e+00 -3.401957968e+00 3.28 -3.290188635e+00 -3.290188635e+00 3.30 -3.177745814e+00 -3.177745814e+00 3.32 -3.064668686e+00 -3.064668686e+00 3.34 -2.951074897e+00 -2.951074897e+00 3.36 -2.837167172e+00 -2.837167172e+00 3.38 -2.723234931e+00 -2.723234931e+00 3.40 -2.609650235e+00 -2.609650235e+00 3.42 -2.496857852e+00 -2.496857852e+00 3.44 -2.385359414e+00 -2.385359414e+00 3.46 -2.275692844e+00 -2.275692844e+00 3.48 -2.168408305e+00 -2.168408305e+00 3.50 -2.064042723e+00 -2.064042723e+00 3.52 -1.963094965e+00 -1.963094965e+00 3.54 -1.866003667e+00 -1.866003667e+00 3.56 -1.773129369e+00 -1.773129369e+00 3.58 -1.684742131e+00 -1.684742131e+00 3.60 -1.601015306e+00 -1.601015306e+00 3.62 -1.522025597e+00 -1.522025597e+00 3.64 -1.447758918e+00 -1.447758918e+00 3.66 -1.378121032e+00 -1.378121032e+00 3.68 -1.312951485e+00 -1.312951485e+00 3.70 -1.252039151e+00 -1.252039151e+00 3.72 -1.195137800e+00 -1.195137800e+00 3.74 -1.141980401e+00 -1.141980401e+00 3.76 -1.092291349e+00 -1.092291349e+00 3.78 -1.045796235e+00 -1.045796235e+00 3.80 -1.002229132e+00 -1.002229132e+00 3.82 -9.613376493e-01 -9.613376493e-01 3.84 -9.228860814e-01 -9.228860814e-01 3.86 -8.866570595e-01 -8.866570595e-01 3.88 -8.524520673e-01 -8.524520673e-01 3.90 -8.200911495e-01 -8.200911495e-01 3.92 -7.894120549e-01 -7.894120549e-01 3.94 -7.602691568e-01 -7.602691568e-01 3.96 -7.325319636e-01 -7.325319636e-01 3.98 -7.060838093e-01 -7.060838093e-01 4.00 -6.808204384e-01 -6.808204384e-01 4.02 -6.566486944e-01 -6.566486944e-01 4.04 -6.334853234e-01 -6.334853234e-01 4.06 -6.112559183e-01 -6.112559183e-01 4.08 -5.898940157e-01 -5.898940157e-01 4.10 -5.693402690e-01 -5.693402690e-01 4.12 -5.495422006e-01 -5.495422006e-01 4.14 -5.304532050e-01 -5.304532050e-01 4.16 -5.120325895e-01 -5.120325895e-01 4.18 -4.942452016e-01 -4.942452016e-01 4.20 -4.770611761e-01 -4.770611761e-01 4.22 -4.604556364e-01 -4.604556364e-01 4.24 -4.444082863e-01 -4.444082863e-01 4.26 -4.289028389e-01 -4.289028389e-01 4.28 -4.139262586e-01 -4.139262586e-01 4.30 -3.994678306e-01 -3.994678306e-01 4.32 -3.855181211e-01 -3.855181211e-01 4.34 -3.720679275e-01 -3.720679275e-01 4.36 -3.591073338e-01 -3.591073338e-01 4.38 -3.466247680e-01 -3.466247680e-01 4.40 -3.346069803e-01 -3.346069803e-01 4.42 -3.230388772e-01 -3.230388772e-01 4.44 -3.119033696e-01 -3.119033696e-01 4.46 -3.011817243e-01 -3.011817243e-01 4.48 -2.908540261e-01 -2.908540261e-01 4.50 -2.808996679e-01 -2.808996679e-01 4.52 -2.712978044e-01 -2.712978044e-01 4.54 -2.620277288e-01 -2.620277288e-01 4.56 -2.530691597e-01 -2.530691597e-01 4.58 -2.444024375e-01 -2.444024375e-01 4.60 -2.360086467e-01 -2.360086467e-01 4.62 -2.278696842e-01 -2.278696842e-01 4.64 -2.199682953e-01 -2.199682953e-01 4.66 -2.122880994e-01 -2.122880994e-01 4.68 -2.048136235e-01 -2.048136235e-01 4.70 -1.975303593e-01 -1.975303593e-01 4.72 -1.904248551e-01 -1.904248551e-01 4.74 -1.834848503e-01 -1.834848503e-01 4.76 -1.766994548e-01 -1.766994548e-01 4.78 -1.700593682e-01 -1.700593682e-01 4.80 -1.635570886e-01 -1.635570886e-01 4.82 -1.571873471e-01 -1.571873471e-01 4.84 -1.509470773e-01 -1.509470773e-01 4.86 -1.448357977e-01 -1.448357977e-01 4.88 -1.388556609e-01 -1.388556609e-01 4.90 -1.330114210e-01 -1.330114210e-01 4.92 -1.273102375e-01 -1.273102375e-01 4.94 -1.217612994e-01 -1.217612994e-01 4.96 -1.163752694e-01 -1.163752694e-01 4.98 -1.111635822e-01 -1.111635822e-01 5.00 -1.061376450e-01 -1.061376450e-01 5.02 -1.013080139e-01 -1.013080139e-01 5.04 -9.668362329e-02 -9.668362329e-02 5.06 -9.227114172e-02 -9.227114172e-02 5.08 -8.807447308e-02 -8.807447308e-02 5.10 -8.409449521e-02 -8.409449521e-02 5.12 -8.032924079e-02 -8.032924079e-02 5.14 -7.677390440e-02 -7.677390440e-02 5.16 -7.342115984e-02 -7.342115984e-02 5.18 -7.026159894e-02 -7.026159894e-02 5.20 -6.728422439e-02 -6.728422439e-02 5.22 -6.447694825e-02 -6.447694825e-02 5.24 -6.182705756e-02 -6.182705756e-02 5.26 -5.932162046e-02 -5.932162046e-02 5.28 -5.694781880e-02 -5.694781880e-02 5.30 -5.469320300e-02 -5.469320300e-02 5.32 -5.254587324e-02 -5.254587324e-02 5.34 -5.049459547e-02 -5.049459547e-02 5.36 -4.852886643e-02 -4.852886643e-02 5.38 -4.663893651e-02 -4.663893651e-02 5.40 -4.481580499e-02 -4.481580499e-02 5.42 -4.305119855e-02 -4.305119855e-02 5.44 -4.133754201e-02 -4.133754201e-02 5.46 -3.966792917e-02 -3.966792917e-02 5.48 -3.803609950e-02 -3.803609950e-02 5.50 -3.643642526e-02 -3.643642526e-02 5.52 -3.486391199e-02 -3.486391199e-02 5.54 -3.331421445e-02 -3.331421445e-02 5.56 -3.178366518e-02 -3.178366518e-02 5.58 -3.026931854e-02 -3.026931854e-02 5.60 -2.876900546e-02 -2.876900546e-02 5.62 -2.728139281e-02 -2.728139281e-02 5.64 -2.580604138e-02 -2.580604138e-02 5.66 -2.434345406e-02 -2.434345406e-02 5.68 -2.289510468e-02 -2.289510468e-02 5.70 -2.146343739e-02 -2.146343739e-02 5.72 -2.005182726e-02 -2.005182726e-02 5.74 -1.866449489e-02 -1.866449489e-02 5.76 -1.730636900e-02 -1.730636900e-02 5.78 -1.598274860e-02 -1.598274860e-02 5.80 -1.469935271e-02 -1.469935271e-02 5.82 -1.346206096e-02 -1.346206096e-02 5.84 -1.227651770e-02 -1.227651770e-02 5.86 -1.114786897e-02 -1.114786897e-02 5.88 -1.008052772e-02 -1.008052772e-02 5.90 -9.077985281e-03 -9.077985281e-03 5.92 -8.142681993e-03 -8.142681993e-03 5.94 -7.275943782e-03 -7.275943782e-03 5.96 -6.477984210e-03 -6.477984210e-03 5.98 -5.747965496e-03 -5.747965496e-03 6.00 -5.084107181e-03 -5.084107181e-03