# 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 = Al2AuNi # 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 1.389867680e+02 1.389867680e+02 1.30 1.289006463e+02 1.289006463e+02 1.32 1.195418803e+02 1.195418803e+02 1.34 1.108533816e+02 1.108533816e+02 1.36 1.027829769e+02 1.027829769e+02 1.38 9.528282761e+01 9.528282761e+01 1.40 8.830892999e+01 8.830892999e+01 1.42 8.182062103e+01 8.182062103e+01 1.44 7.578031238e+01 7.578031238e+01 1.46 7.015359625e+01 7.015359625e+01 1.48 6.490948195e+01 6.490948195e+01 1.50 6.002028174e+01 6.002028174e+01 1.52 5.546100792e+01 5.546100792e+01 1.54 5.120859867e+01 5.120859867e+01 1.56 4.724128894e+01 4.724128894e+01 1.58 4.353826361e+01 4.353826361e+01 1.60 4.007965921e+01 4.007965921e+01 1.62 3.685222882e+01 3.685222882e+01 1.64 3.384778128e+01 3.384778128e+01 1.66 3.105003152e+01 3.105003152e+01 1.68 2.844429710e+01 2.844429710e+01 1.70 2.601997925e+01 2.601997925e+01 1.72 2.376613580e+01 2.376613580e+01 1.74 2.167119399e+01 2.167119399e+01 1.76 1.972433105e+01 1.972433105e+01 1.78 1.791531395e+01 1.791531395e+01 1.80 1.623443784e+01 1.623443784e+01 1.82 1.467259453e+01 1.467259453e+01 1.84 1.322138603e+01 1.322138603e+01 1.86 1.187316344e+01 1.187316344e+01 1.88 1.062094579e+01 1.062094579e+01 1.90 9.458261984e+00 9.458261984e+00 1.92 8.378996699e+00 8.378996699e+00 1.94 7.377306616e+00 7.377306616e+00 1.96 6.447628673e+00 6.447628673e+00 1.98 5.584750137e+00 5.584750137e+00 2.00 4.783882257e+00 4.783882257e+00 2.02 4.040692232e+00 4.040692232e+00 2.04 3.351282557e+00 3.351282557e+00 2.06 2.712131204e+00 2.712131204e+00 2.08 2.120013799e+00 2.120013799e+00 2.10 1.571928589e+00 1.571928589e+00 2.12 1.065039766e+00 1.065039766e+00 2.14 5.966458901e-01 5.966458901e-01 2.16 1.641715644e-01 1.641715644e-01 2.18 -2.348244433e-01 -2.348244433e-01 2.20 -6.026334240e-01 -6.026334240e-01 2.22 -9.413824270e-01 -9.413824270e-01 2.24 -1.253028377e+00 -1.253028377e+00 2.26 -1.539362922e+00 -1.539362922e+00 2.28 -1.802025329e+00 -1.802025329e+00 2.30 -2.042518080e+00 -2.042518080e+00 2.32 -2.262220579e+00 -2.262220579e+00 2.34 -2.462398197e+00 -2.462398197e+00 2.36 -2.644207098e+00 -2.644207098e+00 2.38 -2.808698043e+00 -2.808698043e+00 2.40 -2.956824524e+00 -2.956824524e+00 2.42 -3.089459503e+00 -3.089459503e+00 2.44 -3.207420701e+00 -3.207420701e+00 2.46 -3.311499665e+00 -3.311499665e+00 2.48 -3.402487775e+00 -3.402487775e+00 2.50 -3.481194628e+00 -3.481194628e+00 2.52 -3.548457360e+00 -3.548457360e+00 2.54 -3.605144084e+00 -3.605144084e+00 2.56 -3.652158781e+00 -3.652158781e+00 2.58 -3.690440137e+00 -3.690440137e+00 2.60 -3.720951638e+00 -3.720951638e+00 2.62 -3.744670324e+00 -3.744670324e+00 2.64 -3.762592125e+00 -3.762592125e+00 2.66 -3.775471367e+00 -3.775471367e+00 2.68 -3.783823411e+00 -3.783823411e+00 2.70 -3.788723695e+00 -3.788723695e+00 2.72 -3.791218148e+00 -3.791218148e+00 2.74 -3.791045517e+00 -3.791045517e+00 2.76 -3.787982057e+00 -3.787982057e+00 2.78 -3.781849877e+00 -3.781849877e+00 2.80 -3.772508155e+00 -3.772508155e+00 2.82 -3.759843793e+00 -3.759843793e+00 2.84 -3.743769647e+00 -3.743769647e+00 2.86 -3.724221459e+00 -3.724221459e+00 2.88 -3.701168850e+00 -3.701168850e+00 2.90 -3.674621719e+00 -3.674621719e+00 2.92 -3.644612914e+00 -3.644612914e+00 2.94 -3.611203905e+00 -3.611203905e+00 2.96 -3.574493938e+00 -3.574493938e+00 2.98 -3.534630024e+00 -3.534630024e+00 3.00 -3.491815953e+00 -3.491815953e+00 3.02 -3.446317645e+00 -3.446317645e+00 3.04 -3.398461856e+00 -3.398461856e+00 3.06 -3.348626085e+00 -3.348626085e+00 3.08 -3.297219364e+00 -3.297219364e+00 3.10 -3.244656630e+00 -3.244656630e+00 3.12 -3.191331265e+00 -3.191331265e+00 3.14 -3.137591406e+00 -3.137591406e+00 3.16 -3.083724128e+00 -3.083724128e+00 3.18 -3.029949466e+00 -3.029949466e+00 3.20 -2.976423225e+00 -2.976423225e+00 3.22 -2.923245959e+00 -2.923245959e+00 3.24 -2.870474923e+00 -2.870474923e+00 3.26 -2.818136277e+00 -2.818136277e+00 3.28 -2.766235817e+00 -2.766235817e+00 3.30 -2.714767452e+00 -2.714767452e+00 3.32 -2.663719373e+00 -2.663719373e+00 3.34 -2.613078262e+00 -2.613078262e+00 3.36 -2.562831985e+00 -2.562831985e+00 3.38 -2.512971231e+00 -2.512971231e+00 3.40 -2.463490411e+00 -2.463490411e+00 3.42 -2.414388059e+00 -2.414388059e+00 3.44 -2.365666838e+00 -2.365666838e+00 3.46 -2.317333296e+00 -2.317333296e+00 3.48 -2.269397393e+00 -2.269397393e+00 3.50 -2.221871891e+00 -2.221871891e+00 3.52 -2.174771666e+00 -2.174771666e+00 3.54 -2.128113013e+00 -2.128113013e+00 3.56 -2.081912973e+00 -2.081912973e+00 3.58 -2.036188726e+00 -2.036188726e+00 3.60 -1.990957047e+00 -1.990957047e+00 3.62 -1.946233829e+00 -1.946233829e+00 3.64 -1.902033670e+00 -1.902033670e+00 3.66 -1.858369544e+00 -1.858369544e+00 3.68 -1.815252567e+00 -1.815252567e+00 3.70 -1.772691897e+00 -1.772691897e+00 3.72 -1.730694800e+00 -1.730694800e+00 3.74 -1.689266888e+00 -1.689266888e+00 3.76 -1.648412516e+00 -1.648412516e+00 3.78 -1.608135276e+00 -1.608135276e+00 3.80 -1.568438499e+00 -1.568438499e+00 3.82 -1.529325625e+00 -1.529325625e+00 3.84 -1.490800311e+00 -1.490800311e+00 3.86 -1.452866179e+00 -1.452866179e+00 3.88 -1.415526149e+00 -1.415526149e+00 3.90 -1.378781419e+00 -1.378781419e+00 3.92 -1.342630222e+00 -1.342630222e+00 3.94 -1.307066609e+00 -1.307066609e+00 3.96 -1.272079391e+00 -1.272079391e+00 3.98 -1.237651561e+00 -1.237651561e+00 4.00 -1.203760214e+00 -1.203760214e+00 4.02 -1.170377030e+00 -1.170377030e+00 4.04 -1.137469256e+00 -1.137469256e+00 4.06 -1.105001105e+00 -1.105001105e+00 4.08 -1.072935457e+00 -1.072935457e+00 4.10 -1.041235774e+00 -1.041235774e+00 4.12 -1.009868246e+00 -1.009868246e+00 4.14 -9.788038444e-01 -9.788038444e-01 4.16 -9.480205978e-01 -9.480205978e-01 4.18 -9.175056935e-01 -9.175056935e-01 4.20 -8.872573879e-01 -8.872573879e-01 4.22 -8.572865229e-01 -8.572865229e-01 4.24 -8.276174329e-01 -8.276174329e-01 4.26 -7.982880305e-01 -7.982880305e-01 4.28 -7.693489051e-01 -7.693489051e-01 4.30 -7.408613677e-01 -7.408613677e-01 4.32 -7.128945061e-01 -7.128945061e-01 4.34 -6.855214678e-01 -6.855214678e-01 4.36 -6.588153128e-01 -6.588153128e-01 4.38 -6.328448514e-01 -6.328448514e-01 4.40 -6.076708764e-01 -6.076708764e-01 4.42 -5.833431149e-01 -5.833431149e-01 4.44 -5.598980911e-01 -5.598980911e-01 4.46 -5.373579378e-01 -5.373579378e-01 4.48 -5.157300731e-01 -5.157300731e-01 4.50 -4.950075758e-01 -4.950075758e-01 4.52 -4.751700807e-01 -4.751700807e-01 4.54 -4.561850282e-01 -4.561850282e-01 4.56 -4.380091535e-01 -4.380091535e-01 4.58 -4.205901348e-01 -4.205901348e-01 4.60 -4.038683555e-01 -4.038683555e-01 4.62 -3.877787403e-01 -3.877787403e-01 4.64 -3.722526333e-01 -3.722526333e-01 4.66 -3.572196778e-01 -3.572196778e-01 4.68 -3.426096640e-01 -3.426096640e-01 4.70 -3.283543135e-01 -3.283543135e-01 4.72 -3.143889823e-01 -3.143889823e-01 4.74 -3.006542723e-01 -3.006542723e-01 4.76 -2.870975480e-01 -2.870975480e-01 4.78 -2.736743526e-01 -2.736743526e-01 4.80 -2.603496978e-01 -2.603496978e-01 4.82 -2.470992626e-01 -2.470992626e-01 4.84 -2.339102675e-01 -2.339102675e-01 4.86 -2.207821921e-01 -2.207821921e-01 4.88 -2.077270519e-01 -2.077270519e-01 4.90 -1.947692225e-01 -1.947692225e-01 4.92 -1.819446978e-01 -1.819446978e-01 4.94 -1.692997385e-01 -1.692997385e-01 4.96 -1.568889083e-01 -1.568889083e-01 4.98 -1.447725604e-01 -1.447725604e-01 5.00 -1.330138972e-01 -1.330138972e-01 5.02 -1.216758217e-01 -1.216758217e-01 5.04 -1.108177956e-01 -1.108177956e-01 5.06 -1.004929521e-01 -1.004929521e-01 5.08 -9.074568860e-02 -9.074568860e-02 5.10 -8.160981512e-02 -8.160981512e-02 5.12 -7.310739320e-02 -7.310739320e-02 5.14 -6.524925570e-02 -6.524925570e-02 5.16 -5.803486838e-02 -5.803486838e-02 5.18 -5.145326915e-02 -5.145326915e-02 5.20 -4.548449711e-02 -4.548449711e-02 5.22 -4.010126349e-02 -4.010126349e-02 5.24 -3.527070873e-02 -3.527070873e-02 5.26 -3.095611555e-02 -3.095611555e-02 5.28 -2.711848166e-02 -2.711848166e-02 5.30 -2.371788574e-02 -2.371788574e-02 5.32 -2.071462254e-02 -2.071462254e-02 5.34 -1.807009546e-02 -1.807009546e-02 5.36 -1.574747556e-02 -1.574747556e-02 5.38 -1.371181104e-02 -1.371181104e-02 5.40 -1.193108331e-02 -1.193108331e-02 5.42 -1.037612938e-02 -1.037612938e-02 5.44 -9.020334421e-03 -9.020334421e-03 5.46 -7.839633945e-03 -7.839633945e-03 5.48 -6.812436363e-03 -6.812436363e-03 5.50 -5.919492724e-03 -5.919492724e-03 5.52 -5.143734250e-03 -5.143734250e-03 5.54 -4.470093139e-03 -4.470093139e-03 5.56 -3.885317864e-03 -3.885317864e-03 5.58 -3.377790822e-03 -3.377790822e-03 5.60 -2.937353580e-03 -2.937353580e-03 5.62 -2.555143003e-03 -2.555143003e-03 5.64 -2.223440079e-03 -2.223440079e-03 5.66 -1.935532228e-03 -1.935532228e-03 5.68 -1.685589156e-03 -1.685589156e-03 5.70 -1.468551828e-03 -1.468551828e-03 5.72 -1.280033816e-03 -1.280033816e-03 5.74 -1.116234136e-03 -1.116234136e-03 5.76 -9.738605476e-04 -9.738605476e-04 5.78 -8.500623437e-04 -8.500623437e-04 5.80 -7.423716018e-04 -7.423716018e-04 5.82 -6.486519819e-04 -6.486519819e-04 5.84 -5.670541842e-04 -5.670541842e-04 5.86 -4.959772696e-04 -4.959772696e-04 5.88 -4.340351167e-04 -4.340351167e-04 5.90 -3.800273655e-04 -3.800273655e-04 5.92 -3.329142724e-04 -3.329142724e-04 5.94 -2.917949623e-04 -2.917949623e-04 5.96 -2.558886310e-04 -2.558886310e-04 5.98 -2.245183037e-04 -2.245183037e-04 6.00 -1.970968051e-04 -1.970968051e-04