# 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 = CoPd2Ti # 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 2.685051067e+02 2.685051067e+02 1.30 2.485963328e+02 2.485963328e+02 1.32 2.301641923e+02 2.301641923e+02 1.34 2.130919964e+02 2.130919964e+02 1.36 1.972719698e+02 1.972719698e+02 1.38 1.826039886e+02 1.826039886e+02 1.40 1.689958518e+02 1.689958518e+02 1.42 1.563636389e+02 1.563636389e+02 1.44 1.446316287e+02 1.446316287e+02 1.46 1.337318311e+02 1.337318311e+02 1.48 1.236029245e+02 1.236029245e+02 1.50 1.141886967e+02 1.141886967e+02 1.52 1.054366901e+02 1.054366901e+02 1.54 9.729756064e+01 9.729756064e+01 1.56 8.972494795e+01 8.972494795e+01 1.58 8.267545117e+01 8.267545117e+01 1.60 7.610868259e+01 7.610868259e+01 1.62 6.998753580e+01 6.998753580e+01 1.64 6.427853827e+01 6.427853827e+01 1.66 5.895193129e+01 5.895193129e+01 1.68 5.398128984e+01 5.398128984e+01 1.70 4.934284066e+01 4.934284066e+01 1.72 4.501526618e+01 4.501526618e+01 1.74 4.100166876e+01 4.100166876e+01 1.76 3.729220524e+01 3.729220524e+01 1.78 3.386376442e+01 3.386376442e+01 1.80 3.069498574e+01 3.069498574e+01 1.82 2.776643059e+01 2.776643059e+01 1.84 2.506049480e+01 2.506049480e+01 1.86 2.256111430e+01 2.256111430e+01 1.88 2.025341295e+01 2.025341295e+01 1.90 1.812344866e+01 1.812344866e+01 1.92 1.615813488e+01 1.615813488e+01 1.94 1.434529289e+01 1.434529289e+01 1.96 1.267371535e+01 1.267371535e+01 1.98 1.113314325e+01 1.113314325e+01 2.00 9.714148608e+00 9.714148608e+00 2.02 8.407983157e+00 8.407983157e+00 2.04 7.206457682e+00 7.206457682e+00 2.06 6.101879599e+00 6.101879599e+00 2.08 5.087040075e+00 5.087040075e+00 2.10 4.155225059e+00 4.155225059e+00 2.12 3.300223684e+00 3.300223684e+00 2.14 2.516319830e+00 2.516319830e+00 2.16 1.798266628e+00 1.798266628e+00 2.18 1.141251196e+00 1.141251196e+00 2.20 5.408559385e-01 5.408559385e-01 2.22 -6.981068679e-03 -6.981068679e-03 2.24 -5.060038274e-01 -5.060038274e-01 2.26 -9.596711874e-01 -9.596711874e-01 2.28 -1.371183586e+00 -1.371183586e+00 2.30 -1.743506120e+00 -1.743506120e+00 2.32 -2.079393176e+00 -2.079393176e+00 2.34 -2.381415436e+00 -2.381415436e+00 2.36 -2.651987797e+00 -2.651987797e+00 2.38 -2.893394919e+00 -2.893394919e+00 2.40 -3.107812932e+00 -3.107812932e+00 2.42 -3.297326757e+00 -3.297326757e+00 2.44 -3.463942149e+00 -3.463942149e+00 2.46 -3.609591146e+00 -3.609591146e+00 2.48 -3.736128318e+00 -3.736128318e+00 2.50 -3.845316212e+00 -3.845316212e+00 2.52 -3.938826862e+00 -3.938826862e+00 2.54 -4.018202197e+00 -4.018202197e+00 2.56 -4.084745655e+00 -4.084745655e+00 2.58 -4.139604141e+00 -4.139604141e+00 2.60 -4.183726790e+00 -4.183726790e+00 2.62 -4.217955693e+00 -4.217955693e+00 2.64 -4.243039977e+00 -4.243039977e+00 2.66 -4.259647526e+00 -4.259647526e+00 2.68 -4.268403086e+00 -4.268403086e+00 2.70 -4.270350822e+00 -4.270350822e+00 2.72 -4.265728010e+00 -4.265728010e+00 2.74 -4.254563807e+00 -4.254563807e+00 2.76 -4.236939615e+00 -4.236939615e+00 2.78 -4.213002080e+00 -4.213002080e+00 2.80 -4.182953266e+00 -4.182953266e+00 2.82 -4.147043959e+00 -4.147043959e+00 2.84 -4.105571638e+00 -4.105571638e+00 2.86 -4.058925484e+00 -4.058925484e+00 2.88 -4.007595423e+00 -4.007595423e+00 2.90 -3.952095143e+00 -3.952095143e+00 2.92 -3.892951881e+00 -3.892951881e+00 2.94 -3.830697464e+00 -3.830697464e+00 2.96 -3.765856362e+00 -3.765856362e+00 2.98 -3.698933300e+00 -3.698933300e+00 3.00 -3.630402688e+00 -3.630402688e+00 3.02 -3.560700619e+00 -3.560700619e+00 3.04 -3.490218728e+00 -3.490218728e+00 3.06 -3.419299088e+00 -3.419299088e+00 3.08 -3.348229463e+00 -3.348229463e+00 3.10 -3.277240939e+00 -3.277240939e+00 3.12 -3.206508881e+00 -3.206508881e+00 3.14 -3.136158529e+00 -3.136158529e+00 3.16 -3.066273777e+00 -3.066273777e+00 3.18 -2.996908291e+00 -2.996908291e+00 3.20 -2.928096162e+00 -2.928096162e+00 3.22 -2.859860938e+00 -2.859860938e+00 3.24 -2.792222305e+00 -2.792222305e+00 3.26 -2.725200449e+00 -2.725200449e+00 3.28 -2.658818463e+00 -2.658818463e+00 3.30 -2.593103321e+00 -2.593103321e+00 3.32 -2.528085894e+00 -2.528085894e+00 3.34 -2.463800388e+00 -2.463800388e+00 3.36 -2.400283530e+00 -2.400283530e+00 3.38 -2.337573713e+00 -2.337573713e+00 3.40 -2.275710296e+00 -2.275710296e+00 3.42 -2.214733252e+00 -2.214733252e+00 3.44 -2.154682984e+00 -2.154682984e+00 3.46 -2.095600574e+00 -2.095600574e+00 3.48 -2.037528059e+00 -2.037528059e+00 3.50 -1.980508545e+00 -1.980508545e+00 3.52 -1.924585819e+00 -1.924585819e+00 3.54 -1.869803184e+00 -1.869803184e+00 3.56 -1.816201386e+00 -1.816201386e+00 3.58 -1.763815814e+00 -1.763815814e+00 3.60 -1.712673415e+00 -1.712673415e+00 3.62 -1.662789966e+00 -1.662789966e+00 3.64 -1.614168301e+00 -1.614168301e+00 3.66 -1.566797860e+00 -1.566797860e+00 3.68 -1.520655593e+00 -1.520655593e+00 3.70 -1.475707952e+00 -1.475707952e+00 3.72 -1.431913509e+00 -1.431913509e+00 3.74 -1.389225769e+00 -1.389225769e+00 3.76 -1.347595796e+00 -1.347595796e+00 3.78 -1.306974429e+00 -1.306974429e+00 3.80 -1.267314007e+00 -1.267314007e+00 3.82 -1.228569601e+00 -1.228569601e+00 3.84 -1.190699804e+00 -1.190699804e+00 3.86 -1.153667188e+00 -1.153667188e+00 3.88 -1.117438496e+00 -1.117438496e+00 3.90 -1.081984708e+00 -1.081984708e+00 3.92 -1.047281005e+00 -1.047281005e+00 3.94 -1.013306860e+00 -1.013306860e+00 3.96 -9.800459671e-01 -9.800459671e-01 3.98 -9.474864665e-01 -9.474864665e-01 4.00 -9.156211112e-01 -9.156211112e-01 4.02 -8.844474500e-01 -8.844474500e-01 4.04 -8.539679186e-01 -8.539679186e-01 4.06 -8.241897321e-01 -8.241897321e-01 4.08 -7.951244765e-01 -7.951244765e-01 4.10 -7.667872693e-01 -7.667872693e-01 4.12 -7.391958412e-01 -7.391958412e-01 4.14 -7.123686565e-01 -7.123686565e-01 4.16 -6.863235006e-01 -6.863235006e-01 4.18 -6.610757068e-01 -6.610757068e-01 4.20 -6.366366319e-01 -6.366366319e-01 4.22 -6.130124659e-01 -6.130124659e-01 4.24 -5.902034626e-01 -5.902034626e-01 4.26 -5.682035987e-01 -5.682035987e-01 4.28 -5.470005956e-01 -5.470005956e-01 4.30 -5.265762046e-01 -5.265762046e-01 4.32 -5.069066564e-01 -5.069066564e-01 4.34 -4.879632069e-01 -4.879632069e-01 4.36 -4.697127515e-01 -4.697127515e-01 4.38 -4.521185070e-01 -4.521185070e-01 4.40 -4.351407754e-01 -4.351407754e-01 4.42 -4.187377900e-01 -4.187377900e-01 4.44 -4.028666285e-01 -4.028666285e-01 4.46 -3.874841630e-01 -3.874841630e-01 4.48 -3.725480065e-01 -3.725480065e-01 4.50 -3.580174244e-01 -3.580174244e-01 4.52 -3.438541873e-01 -3.438541873e-01 4.54 -3.300233547e-01 -3.300233547e-01 4.56 -3.164939895e-01 -3.164939895e-01 4.58 -3.032398013e-01 -3.032398013e-01 4.60 -2.902397155e-01 -2.902397155e-01 4.62 -2.774783486e-01 -2.774783486e-01 4.64 -2.649463635e-01 -2.649463635e-01 4.66 -2.526406584e-01 -2.526406584e-01 4.68 -2.405643456e-01 -2.405643456e-01 4.70 -2.287264714e-01 -2.287264714e-01 4.72 -2.171414462e-01 -2.171414462e-01 4.74 -2.058281806e-01 -2.058281806e-01 4.76 -1.948089539e-01 -1.948089539e-01 4.78 -1.841080820e-01 -1.841080820e-01 4.80 -1.737504423e-01 -1.737504423e-01 4.82 -1.637602323e-01 -1.637602323e-01 4.84 -1.541594199e-01 -1.541594199e-01 4.86 -1.449669000e-01 -1.449669000e-01 4.88 -1.361977161e-01 -1.361977161e-01 4.90 -1.278626595e-01 -1.278626595e-01 4.92 -1.199681671e-01 -1.199681671e-01 4.94 -1.125164580e-01 -1.125164580e-01 4.96 -1.055058236e-01 -1.055058236e-01 4.98 -9.893099700e-02 -9.893099700e-02 5.00 -9.278353492e-02 -9.278353492e-02 5.02 -8.705217308e-02 -8.705217308e-02 5.04 -8.172298106e-02 -8.172298106e-02 5.06 -7.677991218e-02 -7.677991218e-02 5.08 -7.220524614e-02 -7.220524614e-02 5.10 -6.797953135e-02 -6.797953135e-02 5.12 -6.408194512e-02 -6.408194512e-02 5.14 -6.049067601e-02 -6.049067601e-02 5.16 -5.718327683e-02 -5.718327683e-02 5.18 -5.413703068e-02 -5.413703068e-02 5.20 -5.132965554e-02 -5.132965554e-02 5.22 -4.873938000e-02 -4.873938000e-02 5.24 -4.634523213e-02 -4.634523213e-02 5.26 -4.412729127e-02 -4.412729127e-02 5.28 -4.206686781e-02 -4.206686781e-02 5.30 -4.014661414e-02 -4.014661414e-02 5.32 -3.835057453e-02 -3.835057453e-02 5.34 -3.666418465e-02 -3.666418465e-02 5.36 -3.507423036e-02 -3.507423036e-02 5.38 -3.356878076e-02 -3.356878076e-02 5.40 -3.213710416e-02 -3.213710416e-02 5.42 -3.076957622e-02 -3.076957622e-02 5.44 -2.945758799e-02 -2.945758799e-02 5.46 -2.819345993e-02 -2.819345993e-02 5.48 -2.697036619e-02 -2.697036619e-02 5.50 -2.578227230e-02 -2.578227230e-02 5.52 -2.462388806e-02 -2.462388806e-02 5.54 -2.349063591e-02 -2.349063591e-02 5.56 -2.237863665e-02 -2.237863665e-02 5.58 -2.128470760e-02 -2.128470760e-02 5.60 -2.020637173e-02 -2.020637173e-02 5.62 -1.914187495e-02 -1.914187495e-02 5.64 -1.809020565e-02 -1.809020565e-02 5.66 -1.705111030e-02 -1.705111030e-02 5.68 -1.602509809e-02 -1.602509809e-02 5.70 -1.501342722e-02 -1.501342722e-02 5.72 -1.401806620e-02 -1.401806620e-02 5.74 -1.304162469e-02 -1.304162469e-02 5.76 -1.208725022e-02 -1.208725022e-02 5.78 -1.115842436e-02 -1.115842436e-02 5.80 -1.025892191e-02 -1.025892191e-02 5.82 -9.392627652e-03 -9.392627652e-03 5.84 -8.563289102e-03 -8.563289102e-03 5.86 -7.774330812e-03 -7.774330812e-03 5.88 -7.028688732e-03 -7.028688732e-03 5.90 -6.328676951e-03 -6.328676951e-03 5.92 -5.675895794e-03 -5.675895794e-03 5.94 -5.071185796e-03 -5.071185796e-03 5.96 -4.514627311e-03 -4.514627311e-03 5.98 -4.005581176e-03 -4.005581176e-03 6.00 -3.542762618e-03 -3.542762618e-03