# 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 = CuPb2Ta # 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 3.737062590e+02 3.737062590e+02 1.30 3.488855258e+02 3.488855258e+02 1.32 3.258247516e+02 3.258247516e+02 1.34 3.043917918e+02 3.043917918e+02 1.36 2.844572623e+02 2.844572623e+02 1.38 2.658972351e+02 2.658972351e+02 1.40 2.485969762e+02 2.485969762e+02 1.42 2.324532309e+02 2.324532309e+02 1.44 2.173742846e+02 2.173742846e+02 1.46 2.032786528e+02 2.032786528e+02 1.48 1.900936430e+02 1.900936430e+02 1.50 1.777543201e+02 1.777543201e+02 1.52 1.662025664e+02 1.662025664e+02 1.54 1.553858838e+02 1.553858838e+02 1.56 1.452558985e+02 1.452558985e+02 1.58 1.357671200e+02 1.357671200e+02 1.60 1.268763599e+02 1.268763599e+02 1.62 1.185428592e+02 1.185428592e+02 1.64 1.107286363e+02 1.107286363e+02 1.66 1.033987170e+02 1.033987170e+02 1.68 9.652107241e+01 9.652107241e+01 1.70 9.006631955e+01 9.006631955e+01 1.72 8.400733185e+01 8.400733185e+01 1.74 7.832032027e+01 7.832032027e+01 1.76 7.298513914e+01 7.298513914e+01 1.78 6.797899603e+01 6.797899603e+01 1.80 6.328017596e+01 6.328017596e+01 1.82 5.887678117e+01 5.887678117e+01 1.84 5.475295462e+01 5.475295462e+01 1.86 5.088906814e+01 5.088906814e+01 1.88 4.726703145e+01 4.726703145e+01 1.90 4.387040469e+01 4.387040469e+01 1.92 4.068443882e+01 4.068443882e+01 1.94 3.769609204e+01 3.769609204e+01 1.96 3.489394678e+01 3.489394678e+01 1.98 3.226801072e+01 3.226801072e+01 2.00 2.980936884e+01 2.980936884e+01 2.02 2.750974854e+01 2.750974854e+01 2.04 2.536110441e+01 2.536110441e+01 2.06 2.335533682e+01 2.335533682e+01 2.08 2.148420264e+01 2.148420264e+01 2.10 1.973938377e+01 1.973938377e+01 2.12 1.811266092e+01 1.811266092e+01 2.14 1.659609028e+01 1.659609028e+01 2.16 1.518214242e+01 1.518214242e+01 2.18 1.386378083e+01 1.386378083e+01 2.20 1.263447993e+01 1.263447993e+01 2.22 1.148821111e+01 1.148821111e+01 2.24 1.041940690e+01 1.041940690e+01 2.26 9.422916683e+00 9.422916683e+00 2.28 8.493959593e+00 8.493959593e+00 2.30 7.628067624e+00 7.628067624e+00 2.32 6.821027988e+00 6.821027988e+00 2.34 6.068845822e+00 6.068845822e+00 2.36 5.367709547e+00 5.367709547e+00 2.38 4.713989346e+00 4.713989346e+00 2.40 4.104255118e+00 4.104255118e+00 2.42 3.535363144e+00 3.535363144e+00 2.44 3.004431257e+00 3.004431257e+00 2.46 2.508650368e+00 2.508650368e+00 2.48 2.045527376e+00 2.045527376e+00 2.50 1.612872081e+00 1.612872081e+00 2.52 1.208758193e+00 1.208758193e+00 2.54 8.314773901e-01 8.314773901e-01 2.56 4.794981376e-01 4.794981376e-01 2.58 1.515383790e-01 1.515383790e-01 2.60 -1.535008645e-01 -1.535008645e-01 2.62 -4.367026007e-01 -4.367026007e-01 2.64 -6.991457206e-01 -6.991457206e-01 2.66 -9.418958839e-01 -9.418958839e-01 2.68 -1.166008235e+00 -1.166008235e+00 2.70 -1.372520404e+00 -1.372520404e+00 2.72 -1.562443871e+00 -1.562443871e+00 2.74 -1.736752851e+00 -1.736752851e+00 2.76 -1.896372667e+00 -1.896372667e+00 2.78 -2.042170139e+00 -2.042170139e+00 2.80 -2.174949057e+00 -2.174949057e+00 2.82 -2.295449951e+00 -2.295449951e+00 2.84 -2.404357436e+00 -2.404357436e+00 2.86 -2.502474545e+00 -2.502474545e+00 2.88 -2.590371332e+00 -2.590371332e+00 2.90 -2.668436023e+00 -2.668436023e+00 2.92 -2.737069361e+00 -2.737069361e+00 2.94 -2.796682478e+00 -2.796682478e+00 2.96 -2.847693459e+00 -2.847693459e+00 2.98 -2.890522993e+00 -2.890522993e+00 3.00 -2.925589709e+00 -2.925589709e+00 3.02 -2.953307230e+00 -2.953307230e+00 3.04 -2.974097891e+00 -2.974097891e+00 3.06 -2.988383430e+00 -2.988383430e+00 3.08 -2.996568105e+00 -2.996568105e+00 3.10 -2.999041602e+00 -2.999041602e+00 3.12 -2.996179534e+00 -2.996179534e+00 3.14 -2.988352380e+00 -2.988352380e+00 3.16 -2.975918942e+00 -2.975918942e+00 3.18 -2.959235243e+00 -2.959235243e+00 3.20 -2.938653676e+00 -2.938653676e+00 3.22 -2.914522656e+00 -2.914522656e+00 3.24 -2.887185252e+00 -2.887185252e+00 3.26 -2.856977294e+00 -2.856977294e+00 3.28 -2.824225378e+00 -2.824225378e+00 3.30 -2.789244885e+00 -2.789244885e+00 3.32 -2.752337850e+00 -2.752337850e+00 3.34 -2.713790365e+00 -2.713790365e+00 3.36 -2.673869785e+00 -2.673869785e+00 3.38 -2.632877313e+00 -2.632877313e+00 3.40 -2.591018957e+00 -2.591018957e+00 3.42 -2.548420082e+00 -2.548420082e+00 3.44 -2.505183560e+00 -2.505183560e+00 3.46 -2.461387920e+00 -2.461387920e+00 3.48 -2.417086116e+00 -2.417086116e+00 3.50 -2.372306304e+00 -2.372306304e+00 3.52 -2.327054042e+00 -2.327054042e+00 3.54 -2.281310369e+00 -2.281310369e+00 3.56 -2.235018247e+00 -2.235018247e+00 3.58 -2.188106330e+00 -2.188106330e+00 3.60 -2.140501620e+00 -2.140501620e+00 3.62 -2.092134839e+00 -2.092134839e+00 3.64 -2.042946401e+00 -2.042946401e+00 3.66 -1.992892742e+00 -1.992892742e+00 3.68 -1.941952783e+00 -1.941952783e+00 3.70 -1.890134155e+00 -1.890134155e+00 3.72 -1.837478704e+00 -1.837478704e+00 3.74 -1.784066693e+00 -1.784066693e+00 3.76 -1.730019085e+00 -1.730019085e+00 3.78 -1.675497376e+00 -1.675497376e+00 3.80 -1.620700629e+00 -1.620700629e+00 3.82 -1.565859606e+00 -1.565859606e+00 3.84 -1.511228263e+00 -1.511228263e+00 3.86 -1.457073172e+00 -1.457073172e+00 3.88 -1.403661767e+00 -1.403661767e+00 3.90 -1.351250458e+00 -1.351250458e+00 3.92 -1.300072991e+00 -1.300072991e+00 3.94 -1.250334507e+00 -1.250334507e+00 3.96 -1.202200309e+00 -1.202200309e+00 3.98 -1.155795691e+00 -1.155795691e+00 4.00 -1.111204312e+00 -1.111204312e+00 4.02 -1.068469930e+00 -1.068469930e+00 4.04 -1.027600020e+00 -1.027600020e+00 4.06 -9.885706650e-01 -9.885706650e-01 4.08 -9.513321045e-01 -9.513321045e-01 4.10 -9.158120906e-01 -9.158120906e-01 4.12 -8.819311378e-01 -8.819311378e-01 4.14 -8.495920766e-01 -8.495920766e-01 4.16 -8.186952108e-01 -8.186952108e-01 4.18 -7.891391225e-01 -7.891391225e-01 4.20 -7.608237050e-01 -7.608237050e-01 4.22 -7.336526258e-01 -7.336526258e-01 4.24 -7.075353026e-01 -7.075353026e-01 4.26 -6.823884724e-01 -6.823884724e-01 4.28 -6.581374167e-01 -6.581374167e-01 4.30 -6.347168784e-01 -6.347168784e-01 4.32 -6.120716787e-01 -6.120716787e-01 4.34 -5.901570117e-01 -5.901570117e-01 4.36 -5.689383774e-01 -5.689383774e-01 4.38 -5.483911097e-01 -5.483911097e-01 4.40 -5.284994683e-01 -5.284994683e-01 4.42 -5.092552997e-01 -5.092552997e-01 4.44 -4.906563174e-01 -4.906563174e-01 4.46 -4.727041098e-01 -4.727041098e-01 4.48 -4.554020279e-01 -4.554020279e-01 4.50 -4.387531372e-01 -4.387531372e-01 4.52 -4.227584137e-01 -4.227584137e-01 4.54 -4.074153353e-01 -4.074153353e-01 4.56 -3.927169619e-01 -3.927169619e-01 4.58 -3.786515333e-01 -3.786515333e-01 4.60 -3.652025435e-01 -3.652025435e-01 4.62 -3.523492061e-01 -3.523492061e-01 4.64 -3.400671908e-01 -3.400671908e-01 4.66 -3.283295091e-01 -3.283295091e-01 4.68 -3.171074384e-01 -3.171074384e-01 4.70 -3.063713959e-01 -3.063713959e-01 4.72 -2.960917042e-01 -2.960917042e-01 4.74 -2.862392170e-01 -2.862392170e-01 4.76 -2.767857952e-01 -2.767857952e-01 4.78 -2.677046409e-01 -2.677046409e-01 4.80 -2.589689531e-01 -2.589689531e-01 4.82 -2.505584953e-01 -2.505584953e-01 4.84 -2.424495212e-01 -2.424495212e-01 4.86 -2.346217884e-01 -2.346217884e-01 4.88 -2.270566449e-01 -2.270566449e-01 4.90 -2.197369431e-01 -2.197369431e-01 4.92 -2.126469443e-01 -2.126469443e-01 4.94 -2.057722291e-01 -2.057722291e-01 4.96 -1.990996141e-01 -1.990996141e-01 4.98 -1.926170842e-01 -1.926170842e-01 5.00 -1.863137399e-01 -1.863137399e-01 5.02 -1.801797640e-01 -1.801797640e-01 5.04 -1.742064036e-01 -1.742064036e-01 5.06 -1.683859681e-01 -1.683859681e-01 5.08 -1.627118374e-01 -1.627118374e-01 5.10 -1.571784738e-01 -1.571784738e-01 5.12 -1.517814348e-01 -1.517814348e-01 5.14 -1.465173753e-01 -1.465173753e-01 5.16 -1.413840319e-01 -1.413840319e-01 5.18 -1.363801809e-01 -1.363801809e-01 5.20 -1.315055626e-01 -1.315055626e-01 5.22 -1.267607664e-01 -1.267607664e-01 5.24 -1.221470751e-01 -1.221470751e-01 5.26 -1.176662115e-01 -1.176662115e-01 5.28 -1.133196795e-01 -1.133196795e-01 5.30 -1.091096536e-01 -1.091096536e-01 5.32 -1.050382438e-01 -1.050382438e-01 5.34 -1.011070546e-01 -1.011070546e-01 5.36 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