# 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 = AlAu2Pt # 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 3.041428796e+02 3.041428796e+02 1.30 2.834164854e+02 2.834164854e+02 1.32 2.640994152e+02 2.640994152e+02 1.34 2.460902254e+02 2.460902254e+02 1.36 2.292943596e+02 2.292943596e+02 1.38 2.136179101e+02 2.136179101e+02 1.40 1.989695369e+02 1.989695369e+02 1.42 1.852672094e+02 1.852672094e+02 1.44 1.724433528e+02 1.724433528e+02 1.46 1.604441274e+02 1.604441274e+02 1.48 1.492233615e+02 1.492233615e+02 1.50 1.387355284e+02 1.387355284e+02 1.52 1.289319628e+02 1.289319628e+02 1.54 1.197611877e+02 1.197611877e+02 1.56 1.111715752e+02 1.111715752e+02 1.58 1.031142708e+02 1.031142708e+02 1.60 9.554529162e+01 9.554529162e+01 1.62 8.842653993e+01 8.842653993e+01 1.64 8.172578789e+01 8.172578789e+01 1.66 7.541585973e+01 7.541585973e+01 1.68 6.947342967e+01 6.947342967e+01 1.70 6.387784238e+01 6.387784238e+01 1.72 5.861067206e+01 5.861067206e+01 1.74 5.367102098e+01 5.367102098e+01 1.76 4.904881235e+01 4.904881235e+01 1.78 4.476650038e+01 4.476650038e+01 1.80 4.081376294e+01 4.081376294e+01 1.82 3.716270474e+01 3.716270474e+01 1.84 3.378684169e+01 3.378684169e+01 1.86 3.066275846e+01 3.066275846e+01 1.88 2.777025675e+01 2.777025675e+01 1.90 2.509224094e+01 2.509224094e+01 1.92 2.261433838e+01 2.261433838e+01 1.94 2.032423749e+01 2.032423749e+01 1.96 1.821083482e+01 1.821083482e+01 1.98 1.626343157e+01 1.626343157e+01 2.00 1.447123716e+01 1.447123716e+01 2.02 1.282327370e+01 1.282327370e+01 2.04 1.130857877e+01 1.130857877e+01 2.06 9.916520332e+00 9.916520332e+00 2.08 8.637069731e+00 8.637069731e+00 2.10 7.460958007e+00 7.460958007e+00 2.12 6.379713717e+00 6.379713717e+00 2.14 5.385623614e+00 5.385623614e+00 2.16 4.471666071e+00 4.471666071e+00 2.18 3.631450462e+00 3.631450462e+00 2.20 2.859172036e+00 2.859172036e+00 2.22 2.149576532e+00 2.149576532e+00 2.24 1.497925512e+00 1.497925512e+00 2.26 8.999570020e-01 8.999570020e-01 2.28 3.518405694e-01 3.518405694e-01 2.30 -1.498715351e-01 -1.498715351e-01 2.32 -6.082948279e-01 -6.082948279e-01 2.34 -1.026262500e+00 -1.026262500e+00 2.36 -1.406372710e+00 -1.406372710e+00 2.38 -1.751031285e+00 -1.751031285e+00 2.40 -2.062488037e+00 -2.062488037e+00 2.42 -2.342865659e+00 -2.342865659e+00 2.44 -2.594181617e+00 -2.594181617e+00 2.46 -2.818365181e+00 -2.818365181e+00 2.48 -3.017272637e+00 -3.017272637e+00 2.50 -3.192702970e+00 -3.192702970e+00 2.52 -3.347141193e+00 -3.347141193e+00 2.54 -3.483086473e+00 -3.483086473e+00 2.56 -3.601839391e+00 -3.601839391e+00 2.58 -3.704725000e+00 -3.704725000e+00 2.60 -3.793079603e+00 -3.793079603e+00 2.62 -3.868216470e+00 -3.868216470e+00 2.64 -3.931384784e+00 -3.931384784e+00 2.66 -3.983729665e+00 -3.983729665e+00 2.68 -4.026261911e+00 -4.026261911e+00 2.70 -4.059843521e+00 -4.059843521e+00 2.72 -4.085190321e+00 -4.085190321e+00 2.74 -4.102888202e+00 -4.102888202e+00 2.76 -4.113456527e+00 -4.113456527e+00 2.78 -4.117388806e+00 -4.117388806e+00 2.80 -4.114923550e+00 -4.114923550e+00 2.82 -4.106504443e+00 -4.106504443e+00 2.84 -4.092838496e+00 -4.092838496e+00 2.86 -4.073933595e+00 -4.073933595e+00 2.88 -4.049826314e+00 -4.049826314e+00 2.90 -4.020626074e+00 -4.020626074e+00 2.92 -3.986519385e+00 -3.986519385e+00 2.94 -3.947772836e+00 -3.947772836e+00 2.96 -3.904727418e+00 -3.904727418e+00 2.98 -3.857789026e+00 -3.857789026e+00 3.00 -3.807428805e+00 -3.807428805e+00 3.02 -3.754162403e+00 -3.754162403e+00 3.04 -3.698512148e+00 -3.698512148e+00 3.06 -3.640981306e+00 -3.640981306e+00 3.08 -3.582032356e+00 -3.582032356e+00 3.10 -3.522070854e+00 -3.522070854e+00 3.12 -3.461435624e+00 -3.461435624e+00 3.14 -3.400395513e+00 -3.400395513e+00 3.16 -3.339152010e+00 -3.339152010e+00 3.18 -3.277846728e+00 -3.277846728e+00 3.20 -3.216571980e+00 -3.216571980e+00 3.22 -3.155382674e+00 -3.155382674e+00 3.24 -3.094307903e+00 -3.094307903e+00 3.26 -3.033361095e+00 -3.033361095e+00 3.28 -2.972548173e+00 -2.972548173e+00 3.30 -2.911873630e+00 -2.911873630e+00 3.32 -2.851345001e+00 -2.851345001e+00 3.34 -2.790997468e+00 -2.790997468e+00 3.36 -2.730906970e+00 -2.730906970e+00 3.38 -2.671148795e+00 -2.671148795e+00 3.40 -2.611794813e+00 -2.611794813e+00 3.42 -2.552914615e+00 -2.552914615e+00 3.44 -2.494575897e+00 -2.494575897e+00 3.46 -2.436844328e+00 -2.436844328e+00 3.48 -2.379783021e+00 -2.379783021e+00 3.50 -2.323451755e+00 -2.323451755e+00 3.52 -2.267906074e+00 -2.267906074e+00 3.54 -2.213196365e+00 -2.213196365e+00 3.56 -2.159367007e+00 -2.159367007e+00 3.58 -2.106455641e+00 -2.106455641e+00 3.60 -2.054492602e+00 -2.054492602e+00 3.62 -2.003500533e+00 -2.003500533e+00 3.64 -1.953494187e+00 -1.953494187e+00 3.66 -1.904480399e+00 -1.904480399e+00 3.68 -1.856458238e+00 -1.856458238e+00 3.70 -1.809419321e+00 -1.809419321e+00 3.72 -1.763348273e+00 -1.763348273e+00 3.74 -1.718223336e+00 -1.718223336e+00 3.76 -1.674017102e+00 -1.674017102e+00 3.78 -1.630697350e+00 -1.630697350e+00 3.80 -1.588227965e+00 -1.588227965e+00 3.82 -1.546569898e+00 -1.546569898e+00 3.84 -1.505682138e+00 -1.505682138e+00 3.86 -1.465522650e+00 -1.465522650e+00 3.88 -1.426049259e+00 -1.426049259e+00 3.90 -1.387220447e+00 -1.387220447e+00 3.92 -1.348996066e+00 -1.348996066e+00 3.94 -1.311338007e+00 -1.311338007e+00 3.96 -1.274210777e+00 -1.274210777e+00 3.98 -1.237582152e+00 -1.237582152e+00 4.00 -1.201423853e+00 -1.201423853e+00 4.02 -1.165712353e+00 -1.165712353e+00 4.04 -1.130429824e+00 -1.130429824e+00 4.06 -1.095565220e+00 -1.095565220e+00 4.08 -1.061115442e+00 -1.061115442e+00 4.10 -1.027086473e+00 -1.027086473e+00 4.12 -9.934943910e-01 -9.934943910e-01 4.14 -9.603658768e-01 -9.603658768e-01 4.16 -9.277382809e-01 -9.277382809e-01 4.18 -8.956588765e-01 -8.956588765e-01 4.20 -8.641832881e-01 -8.641832881e-01 4.22 -8.333730930e-01 -8.333730930e-01 4.24 -8.032927238e-01 -8.032927238e-01 4.26 -7.740059119e-01 -7.740059119e-01 4.28 -7.455719755e-01 -7.455719755e-01 4.30 -7.180422821e-01 -7.180422821e-01 4.32 -6.914571856e-01 -6.914571856e-01 4.34 -6.658436704e-01 -6.658436704e-01 4.36 -6.412138486e-01 -6.412138486e-01 4.38 -6.175643636e-01 -6.175643636e-01 4.40 -5.948766652e-01 -5.948766652e-01 4.42 -5.731180508e-01 -5.731180508e-01 4.44 -5.522433161e-01 -5.522433161e-01 4.46 -5.321968250e-01 -5.321968250e-01 4.48 -5.129148088e-01 -5.129148088e-01 4.50 -4.943277170e-01 -4.943277170e-01 4.52 -4.763624795e-01 -4.763624795e-01 4.54 -4.589445864e-01 -4.589445864e-01 4.56 -4.419999359e-01 -4.419999359e-01 4.58 -4.254564448e-01 -4.254564448e-01 4.60 -4.092454494e-01 -4.092454494e-01 4.62 -3.933029383e-01 -3.933029383e-01 4.64 -3.775706699e-01 -3.775706699e-01 4.66 -3.619972173e-01 -3.619972173e-01 4.68 -3.465389667e-01 -3.465389667e-01 4.70 -3.311610756e-01 -3.311610756e-01 4.72 -3.158383690e-01 -3.158383690e-01 4.74 -3.005561242e-01 -3.005561242e-01 4.76 -2.853106779e-01 -2.853106779e-01 4.78 -2.701097724e-01 -2.701097724e-01 4.80 -2.549725527e-01 -2.549725527e-01 4.82 -2.399291865e-01 -2.399291865e-01 4.84 -2.250199576e-01 -2.250199576e-01 4.86 -2.102939733e-01 -2.102939733e-01 4.88 -1.958074090e-01 -1.958074090e-01 4.90 -1.816214099e-01 -1.816214099e-01 4.92 -1.677997512e-01 -1.677997512e-01 4.94 -1.544063794e-01 -1.544063794e-01 4.96 -1.415029696e-01 -1.415029696e-01 4.98 -1.291466242e-01 -1.291466242e-01 5.00 -1.173878262e-01 -1.173878262e-01 5.02 -1.062687428e-01 -1.062687428e-01 5.04 -9.582195435e-02 -9.582195435e-02 5.06 -8.606965485e-02 -8.606965485e-02 5.08 -7.702333842e-02 -7.702333842e-02 5.10 -6.868396770e-02 -6.868396770e-02 5.12 -6.104258166e-02 -6.104258166e-02 5.14 -5.408127932e-02 -5.408127932e-02 5.16 -4.777447289e-02 -4.777447289e-02 5.18 -4.209031992e-02 -4.209031992e-02 5.20 -3.699224140e-02 -3.699224140e-02 5.22 -3.244075264e-02 -3.244075264e-02 5.24 -2.839401126e-02 -2.839401126e-02 5.26 -2.480939292e-02 -2.480939292e-02 5.28 -2.164478980e-02 -2.164478980e-02 5.30 -1.885940880e-02 -1.885940880e-02 5.32 -1.641432096e-02 -1.641432096e-02 5.34 -1.427261996e-02 -1.427261996e-02 5.36 -1.240066814e-02 -1.240066814e-02 5.38 -1.076758215e-02 -1.076758215e-02 5.40 -9.345161463e-03 -9.345161463e-03 5.42 -8.107890826e-03 -8.107890826e-03 5.44 -7.032862314e-03 -7.032862314e-03 5.46 -6.099642712e-03 -6.099642712e-03 5.48 -5.290106590e-03 -5.290106590e-03 5.50 -4.588250735e-03 -4.588250735e-03 5.52 -3.980001571e-03 -3.980001571e-03 5.54 -3.453023917e-03 -3.453023917e-03 5.56 -2.996536796e-03 -2.996536796e-03 5.58 -2.601139990e-03 -2.601139990e-03 5.60 -2.258653490e-03 -2.258653490e-03 5.62 -1.961970860e-03 -1.961970860e-03 5.64 -1.704926735e-03 -1.704926735e-03 5.66 -1.482178130e-03 -1.482178130e-03 5.68 -1.289098859e-03 -1.289098859e-03 5.70 -1.121686166e-03 -1.121686166e-03 5.72 -9.764785586e-04 -9.764785586e-04 5.74 -8.504837716e-04 -8.504837716e-04 5.76 -7.411158426e-04 -7.411158426e-04 5.78 -6.461402817e-04 -6.461402817e-04 5.80 -5.636264120e-04 -5.636264120e-04 5.82 -4.919060199e-04 -4.919060199e-04 5.84 -4.295375336e-04 -4.295375336e-04 5.86 -3.752750333e-04 -3.752750333e-04 5.88 -3.280414655e-04 -3.280414655e-04 5.90 -2.869055125e-04 -2.869055125e-04 5.92 -2.510616293e-04 -2.510616293e-04 5.94 -2.198128230e-04 -2.198128230e-04 5.96 -1.925558027e-04 -1.925558027e-04 5.98 -1.687681765e-04 -1.687681765e-04 6.00 -1.479974146e-04 -1.479974146e-04