# 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 = Au2CuPd # 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 2.830536857e+02 2.830536857e+02 1.30 2.622070656e+02 2.622070656e+02 1.32 2.428974320e+02 2.428974320e+02 1.34 2.250060592e+02 2.250060592e+02 1.36 2.084207252e+02 2.084207252e+02 1.38 1.930358215e+02 1.930358215e+02 1.40 1.787541049e+02 1.787541049e+02 1.42 1.654877718e+02 1.654877718e+02 1.44 1.531581545e+02 1.531581545e+02 1.46 1.416945485e+02 1.416945485e+02 1.48 1.310327987e+02 1.310327987e+02 1.50 1.211139599e+02 1.211139599e+02 1.52 1.118832162e+02 1.118832162e+02 1.54 1.032892195e+02 1.032892195e+02 1.56 9.528388418e+01 9.528388418e+01 1.58 8.782250548e+01 8.782250548e+01 1.60 8.086396051e+01 8.086396051e+01 1.62 7.437074849e+01 7.437074849e+01 1.64 6.830877774e+01 6.830877774e+01 1.66 6.264704140e+01 6.264704140e+01 1.68 5.735869847e+01 5.735869847e+01 1.70 5.243926272e+01 5.243926272e+01 1.72 4.787600664e+01 4.787600664e+01 1.74 4.365742566e+01 4.365742566e+01 1.76 3.975967767e+01 3.975967767e+01 1.78 3.615979897e+01 3.615979897e+01 1.80 3.283598907e+01 3.283598907e+01 1.82 2.976745505e+01 2.976745505e+01 1.84 2.693449105e+01 2.693449105e+01 1.86 2.431871779e+01 2.431871779e+01 1.88 2.190332236e+01 2.190332236e+01 1.90 1.967315287e+01 1.967315287e+01 1.92 1.761461174e+01 1.761461174e+01 1.94 1.571539477e+01 1.571539477e+01 1.96 1.396418759e+01 1.396418759e+01 1.98 1.235042586e+01 1.235042586e+01 2.00 1.086416760e+01 1.086416760e+01 2.02 9.496061418e+00 9.496061418e+00 2.04 8.237359445e+00 8.237359445e+00 2.06 7.079927582e+00 7.079927582e+00 2.08 6.016232351e+00 6.016232351e+00 2.10 5.039308351e+00 5.039308351e+00 2.12 4.142719070e+00 4.142719070e+00 2.14 3.320519154e+00 3.320519154e+00 2.16 2.567219197e+00 2.567219197e+00 2.18 1.877751555e+00 1.877751555e+00 2.20 1.247437317e+00 1.247437317e+00 2.22 6.719563200e-01 6.719563200e-01 2.24 1.473213604e-01 1.473213604e-01 2.26 -3.301448962e-01 -3.301448962e-01 2.28 -7.638339853e-01 -7.638339853e-01 2.30 -1.156879860e+00 -1.156879860e+00 2.32 -1.512191044e+00 -1.512191044e+00 2.34 -1.832482331e+00 -1.832482331e+00 2.36 -2.120299876e+00 -2.120299876e+00 2.38 -2.378035853e+00 -2.378035853e+00 2.40 -2.607933835e+00 -2.607933835e+00 2.42 -2.812090416e+00 -2.812090416e+00 2.44 -2.992459567e+00 -2.992459567e+00 2.46 -3.150863632e+00 -3.150863632e+00 2.48 -3.289010374e+00 -3.289010374e+00 2.50 -3.408511879e+00 -3.408511879e+00 2.52 -3.510900243e+00 -3.510900243e+00 2.54 -3.597636906e+00 -3.597636906e+00 2.56 -3.670115459e+00 -3.670115459e+00 2.58 -3.729659425e+00 -3.729659425e+00 2.60 -3.777516396e+00 -3.777516396e+00 2.62 -3.814906723e+00 -3.814906723e+00 2.64 -3.843004995e+00 -3.843004995e+00 2.66 -3.862834661e+00 -3.862834661e+00 2.68 -3.875352330e+00 -3.875352330e+00 2.70 -3.881189175e+00 -3.881189175e+00 2.72 -3.880529166e+00 -3.880529166e+00 2.74 -3.873556411e+00 -3.873556411e+00 2.76 -3.860489242e+00 -3.860489242e+00 2.78 -3.841568993e+00 -3.841568993e+00 2.80 -3.817042228e+00 -3.817042228e+00 2.82 -3.787184659e+00 -3.787184659e+00 2.84 -3.752330000e+00 -3.752330000e+00 2.86 -3.712844909e+00 -3.712844909e+00 2.88 -3.669103764e+00 -3.669103764e+00 2.90 -3.621486493e+00 -3.621486493e+00 2.92 -3.570380648e+00 -3.570380648e+00 2.94 -3.516180165e+00 -3.516180165e+00 2.96 -3.459281412e+00 -3.459281412e+00 2.98 -3.400077840e+00 -3.400077840e+00 3.00 -3.338954620e+00 -3.338954620e+00 3.02 -3.276283964e+00 -3.276283964e+00 3.04 -3.212420996e+00 -3.212420996e+00 3.06 -3.147699475e+00 -3.147699475e+00 3.08 -3.082426799e+00 -3.082426799e+00 3.10 -3.016878484e+00 -3.016878484e+00 3.12 -2.951293056e+00 -2.951293056e+00 3.14 -2.885868664e+00 -2.885868664e+00 3.16 -2.820762416e+00 -2.820762416e+00 3.18 -2.756092712e+00 -2.756092712e+00 3.20 -2.691944095e+00 -2.691944095e+00 3.22 -2.628373647e+00 -2.628373647e+00 3.24 -2.565417912e+00 -2.565417912e+00 3.26 -2.503099514e+00 -2.503099514e+00 3.28 -2.441432946e+00 -2.441432946e+00 3.30 -2.380429310e+00 -2.380429310e+00 3.32 -2.320099918e+00 -2.320099918e+00 3.34 -2.260458814e+00 -2.260458814e+00 3.36 -2.201524282e+00 -2.201524282e+00 3.38 -2.143319442e+00 -2.143319442e+00 3.40 -2.085872062e+00 -2.085872062e+00 3.42 -2.029213743e+00 -2.029213743e+00 3.44 -1.973378637e+00 -1.973378637e+00 3.46 -1.918401914e+00 -1.918401914e+00 3.48 -1.864318129e+00 -1.864318129e+00 3.50 -1.811159676e+00 -1.811159676e+00 3.52 -1.758955423e+00 -1.758955423e+00 3.54 -1.707729639e+00 -1.707729639e+00 3.56 -1.657501230e+00 -1.657501230e+00 3.58 -1.608283318e+00 -1.608283318e+00 3.60 -1.560083148e+00 -1.560083148e+00 3.62 -1.512902292e+00 -1.512902292e+00 3.64 -1.466737157e+00 -1.466737157e+00 3.66 -1.421579719e+00 -1.421579719e+00 3.68 -1.377418495e+00 -1.377418495e+00 3.70 -1.334239653e+00 -1.334239653e+00 3.72 -1.292028231e+00 -1.292028231e+00 3.74 -1.250769326e+00 -1.250769326e+00 3.76 -1.210449171e+00 -1.210449171e+00 3.78 -1.171055931e+00 -1.171055931e+00 3.80 -1.132580109e+00 -1.132580109e+00 3.82 -1.095014472e+00 -1.095014472e+00 3.84 -1.058353465e+00 -1.058353465e+00 3.86 -1.022592195e+00 -1.022592195e+00 3.88 -9.877251517e-01 -9.877251517e-01 3.90 -9.537448721e-01 -9.537448721e-01 3.92 -9.206408214e-01 -9.206408214e-01 3.94 -8.883986802e-01 -8.883986802e-01 3.96 -8.570001551e-01 -8.570001551e-01 3.98 -8.264233424e-01 -8.264233424e-01 4.00 -7.966435446e-01 -7.966435446e-01 4.02 -7.676343918e-01 -7.676343918e-01 4.04 -7.393690798e-01 -7.393690798e-01 4.06 -7.118215468e-01 -7.118215468e-01 4.08 -6.849674449e-01 -6.849674449e-01 4.10 -6.587848191e-01 -6.587848191e-01 4.12 -6.332544773e-01 -6.332544773e-01 4.14 -6.083600562e-01 -6.083600562e-01 4.16 -5.840879047e-01 -5.840879047e-01 4.18 -5.604268573e-01 -5.604268573e-01 4.20 -5.373680160e-01 -5.373680160e-01 4.22 -5.149046133e-01 -5.149046133e-01 4.24 -4.930319843e-01 -4.930319843e-01 4.26 -4.717476216e-01 -4.717476216e-01 4.28 -4.510512437e-01 -4.510512437e-01 4.30 -4.309447866e-01 -4.309447866e-01 4.32 -4.114322318e-01 -4.114322318e-01 4.34 -3.925192157e-01 -3.925192157e-01 4.36 -3.742124034e-01 -3.742124034e-01 4.38 -3.565186539e-01 -3.565186539e-01 4.40 -3.394440378e-01 -3.394440378e-01 4.42 -3.229927886e-01 -3.229927886e-01 4.44 -3.071662781e-01 -3.071662781e-01 4.46 -2.919621091e-01 -2.919621091e-01 4.48 -2.773734091e-01 -2.773734091e-01 4.50 -2.633883991e-01 -2.633883991e-01 4.52 -2.499902934e-01 -2.499902934e-01 4.54 -2.371575545e-01 -2.371575545e-01 4.56 -2.248644986e-01 -2.248644986e-01 4.58 -2.130822053e-01 -2.130822053e-01 4.60 -2.017796587e-01 -2.017796587e-01 4.62 -1.909250177e-01 -1.909250177e-01 4.64 -1.804869092e-01 -1.804869092e-01 4.66 -1.704356359e-01 -1.704356359e-01 4.68 -1.607442097e-01 -1.607442097e-01 4.70 -1.513891405e-01 -1.513891405e-01 4.72 -1.423509431e-01 -1.423509431e-01 4.74 -1.336143502e-01 -1.336143502e-01 4.76 -1.251682539e-01 -1.251682539e-01 4.78 -1.170054186e-01 -1.170054186e-01 4.80 -1.091220260e-01 -1.091220260e-01 4.82 -1.015171316e-01 -1.015171316e-01 4.84 -9.419208036e-02 -9.419208036e-02 4.86 -8.714995798e-02 -8.714995798e-02 4.88 -8.039509414e-02 -8.039509414e-02 4.90 -7.393263358e-02 -7.393263358e-02 4.92 -6.776815901e-02 -6.776815901e-02 4.94 -6.190731368e-02 -6.190731368e-02 4.96 -5.635511680e-02 -5.635511680e-02 4.98 -5.111649160e-02 -5.111649160e-02 5.00 -4.619540102e-02 -4.619540102e-02 5.02 -4.159423401e-02 -4.159423401e-02 5.04 -3.731344208e-02 -3.731344208e-02 5.06 -3.335121998e-02 -3.335121998e-02 5.08 -2.970327608e-02 -2.970327608e-02 5.10 -2.636271907e-02 -2.636271907e-02 5.12 -2.332008807e-02 -2.332008807e-02 5.14 -2.056351551e-02 -2.056351551e-02 5.16 -1.807901450e-02 -1.807901450e-02 5.18 -1.585086565e-02 -1.585086565e-02 5.20 -1.386204454e-02 -1.386204454e-02 5.22 -1.209448590e-02 -1.209448590e-02 5.24 -1.053010589e-02 -1.053010589e-02 5.26 -9.150920682e-03 -9.150920682e-03 5.28 -7.939290048e-03 -7.939290048e-03 5.30 -6.878233361e-03 -6.878233361e-03 5.32 -5.951667510e-03 -5.951667510e-03 5.34 -5.144571179e-03 -5.144571179e-03 5.36 -4.443083898e-03 -4.443083898e-03 5.38 -3.834550228e-03 -3.834550228e-03 5.40 -3.307520096e-03 -3.307520096e-03 5.42 -2.851715808e-03 -2.851715808e-03 5.44 -2.457975212e-03 -2.457975212e-03 5.46 -2.118179097e-03 -2.118179097e-03 5.48 -1.825169400e-03 -1.825169400e-03 5.50 -1.572663366e-03 -1.572663366e-03 5.52 -1.355167511e-03 -1.355167511e-03 5.54 -1.167894164e-03 -1.167894164e-03 5.56 -1.006682412e-03 -1.006682412e-03 5.58 -8.679246305e-04 -8.679246305e-04 5.60 -7.484991736e-04 -7.484991736e-04 5.62 -6.457094537e-04 -6.457094537e-04 5.64 -5.572293227e-04 -5.572293227e-04 5.66 -4.810544958e-04 -4.810544958e-04 5.68 -4.154596311e-04 -4.154596311e-04 5.70 -3.589606158e-04 -3.589606158e-04 5.72 -3.102815780e-04 -3.102815780e-04 5.74 -2.683261437e-04 -2.683261437e-04 5.76 -2.321524725e-04 -2.321524725e-04 5.78 -2.009516342e-04 -2.009516342e-04 5.80 -1.740289212e-04 -1.740289212e-04 5.82 -1.507877277e-04 -1.507877277e-04 5.84 -1.307156657e-04 -1.307156657e-04 5.86 -1.133726216e-04 -1.133726216e-04 5.88 -9.838049280e-05 -9.838049280e-05 5.90 -8.541437614e-05 -8.541437614e-05 5.92 -7.419500650e-05 -7.419500650e-05 5.94 -6.448227200e-05 -6.448227200e-05 5.96 -5.606965427e-05 -5.606965427e-05 5.98 -4.877946313e-05 -4.877946313e-05 6.00 -4.245875250e-05 -4.245875250e-05