# 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 = Au2CuPb # 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 3.209072029e+02 3.209072029e+02 1.30 2.984200941e+02 2.984200941e+02 1.32 2.775512939e+02 2.775512939e+02 1.34 2.581762992e+02 2.581762992e+02 1.36 2.401784226e+02 2.401784226e+02 1.38 2.234486931e+02 2.234486931e+02 1.40 2.078868487e+02 2.078868487e+02 1.42 1.934017289e+02 1.934017289e+02 1.44 1.799109829e+02 1.799109829e+02 1.46 1.673403853e+02 1.673403853e+02 1.48 1.556227923e+02 1.556227923e+02 1.50 1.446968549e+02 1.446968549e+02 1.52 1.345057873e+02 1.345057873e+02 1.54 1.249964127e+02 1.249964127e+02 1.56 1.161186816e+02 1.161186816e+02 1.58 1.078256282e+02 1.078256282e+02 1.60 1.000736419e+02 1.000736419e+02 1.62 9.282278105e+01 9.282278105e+01 1.64 8.603687237e+01 8.603687237e+01 1.66 7.968329502e+01 7.968329502e+01 1.68 7.373257392e+01 7.373257392e+01 1.70 6.816254302e+01 6.816254302e+01 1.72 6.296987532e+01 6.296987532e+01 1.74 5.813530627e+01 5.813530627e+01 1.76 5.364043787e+01 5.364043787e+01 1.78 4.946266822e+01 4.946266822e+01 1.80 4.558037509e+01 4.558037509e+01 1.82 4.197282270e+01 4.197282270e+01 1.84 3.862021903e+01 3.862021903e+01 1.86 3.550391513e+01 3.550391513e+01 1.88 3.260662410e+01 3.260662410e+01 1.90 2.991252069e+01 2.991252069e+01 1.92 2.740720846e+01 2.740720846e+01 1.94 2.507756315e+01 2.507756315e+01 1.96 2.291154200e+01 2.291154200e+01 1.98 2.089800005e+01 2.089800005e+01 2.00 1.902655776e+01 1.902655776e+01 2.02 1.728752598e+01 1.728752598e+01 2.04 1.567186384e+01 1.567186384e+01 2.06 1.417114495e+01 1.417114495e+01 2.08 1.277751919e+01 1.277751919e+01 2.10 1.148368047e+01 1.148368047e+01 2.12 1.028283416e+01 1.028283416e+01 2.14 9.168673760e+00 9.168673760e+00 2.16 8.135353857e+00 8.135353857e+00 2.18 7.177458591e+00 7.177458591e+00 2.20 6.289963499e+00 6.289963499e+00 2.22 5.468199087e+00 5.468199087e+00 2.24 4.707816410e+00 4.707816410e+00 2.26 4.004757492e+00 4.004757492e+00 2.28 3.355225393e+00 3.355225393e+00 2.30 2.755661993e+00 2.755661993e+00 2.32 2.202720720e+00 2.202720720e+00 2.34 1.693246257e+00 1.693246257e+00 2.36 1.224261889e+00 1.224261889e+00 2.38 7.929649032e-01 7.929649032e-01 2.40 3.967281324e-01 3.967281324e-01 2.42 3.310226303e-02 3.310226303e-02 2.44 -3.001867833e-01 -3.001867833e-01 2.46 -6.052464195e-01 -6.052464195e-01 2.48 -8.840314584e-01 -8.840314584e-01 2.50 -1.138360540e+00 -1.138360540e+00 2.52 -1.369932461e+00 -1.369932461e+00 2.54 -1.580340939e+00 -1.580340939e+00 2.56 -1.771087160e+00 -1.771087160e+00 2.58 -1.943589610e+00 -1.943589610e+00 2.60 -2.099190474e+00 -2.099190474e+00 2.62 -2.239157884e+00 -2.239157884e+00 2.64 -2.364685996e+00 -2.364685996e+00 2.66 -2.476890503e+00 -2.476890503e+00 2.68 -2.576910607e+00 -2.576910607e+00 2.70 -2.665717647e+00 -2.665717647e+00 2.72 -2.744095751e+00 -2.744095751e+00 2.74 -2.812928365e+00 -2.812928365e+00 2.76 -2.872654591e+00 -2.872654591e+00 2.78 -2.923663697e+00 -2.923663697e+00 2.80 -2.966351009e+00 -2.966351009e+00 2.82 -3.001109603e+00 -3.001109603e+00 2.84 -3.028326299e+00 -3.028326299e+00 2.86 -3.048371200e+00 -3.048371200e+00 2.88 -3.061606424e+00 -3.061606424e+00 2.90 -3.068411112e+00 -3.068411112e+00 2.92 -3.069177240e+00 -3.069177240e+00 2.94 -3.064297092e+00 -3.064297092e+00 2.96 -3.054166172e+00 -3.054166172e+00 2.98 -3.039185830e+00 -3.039185830e+00 3.00 -3.019764550e+00 -3.019764550e+00 3.02 -2.996317317e+00 -2.996317317e+00 3.04 -2.969261915e+00 -2.969261915e+00 3.06 -2.939015471e+00 -2.939015471e+00 3.08 -2.905982533e+00 -2.905982533e+00 3.10 -2.870548552e+00 -2.870548552e+00 3.12 -2.833069899e+00 -2.833069899e+00 3.14 -2.793869881e+00 -2.793869881e+00 3.16 -2.753232176e+00 -2.753232176e+00 3.18 -2.711433742e+00 -2.711433742e+00 3.20 -2.668669473e+00 -2.668669473e+00 3.22 -2.625081348e+00 -2.625081348e+00 3.24 -2.580789903e+00 -2.580789903e+00 3.26 -2.535897297e+00 -2.535897297e+00 3.28 -2.490490628e+00 -2.490490628e+00 3.30 -2.444645442e+00 -2.444645442e+00 3.32 -2.398429258e+00 -2.398429258e+00 3.34 -2.351902947e+00 -2.351902947e+00 3.36 -2.305117220e+00 -2.305117220e+00 3.38 -2.258122541e+00 -2.258122541e+00 3.40 -2.210973110e+00 -2.210973110e+00 3.42 -2.163727372e+00 -2.163727372e+00 3.44 -2.116446331e+00 -2.116446331e+00 3.46 -2.069192989e+00 -2.069192989e+00 3.48 -2.022030659e+00 -2.022030659e+00 3.50 -1.975021417e+00 -1.975021417e+00 3.52 -1.928224683e+00 -1.928224683e+00 3.54 -1.881696077e+00 -1.881696077e+00 3.56 -1.835486628e+00 -1.835486628e+00 3.58 -1.789642385e+00 -1.789642385e+00 3.60 -1.744204424e+00 -1.744204424e+00 3.62 -1.699209227e+00 -1.699209227e+00 3.64 -1.654689371e+00 -1.654689371e+00 3.66 -1.610674463e+00 -1.610674463e+00 3.68 -1.567192205e+00 -1.567192205e+00 3.70 -1.524269495e+00 -1.524269495e+00 3.72 -1.481933428e+00 -1.481933428e+00 3.74 -1.440212101e+00 -1.440212101e+00 3.76 -1.399135108e+00 -1.399135108e+00 3.78 -1.358733656e+00 -1.358733656e+00 3.80 -1.319040245e+00 -1.319040245e+00 3.82 -1.280087903e+00 -1.280087903e+00 3.84 -1.241909003e+00 -1.241909003e+00 3.86 -1.204533752e+00 -1.204533752e+00 3.88 -1.167988500e+00 -1.167988500e+00 3.90 -1.132294068e+00 -1.132294068e+00 3.92 -1.097463984e+00 -1.097463984e+00 3.94 -1.063504876e+00 -1.063504876e+00 3.96 -1.030413854e+00 -1.030413854e+00 3.98 -9.981802183e-01 -9.981802183e-01 4.00 -9.667857561e-01 -9.667857561e-01 4.02 -9.362058607e-01 -9.362058607e-01 4.04 -9.064109111e-01 -9.064109111e-01 4.06 -8.773677619e-01 -8.773677619e-01 4.08 -8.490412305e-01 -8.490412305e-01 4.10 -8.213944732e-01 -8.213944732e-01 4.12 -7.943946248e-01 -7.943946248e-01 4.14 -7.680071644e-01 -7.680071644e-01 4.16 -7.422017777e-01 -7.422017777e-01 4.18 -7.169520492e-01 -7.169520492e-01 4.20 -6.922362974e-01 -6.922362974e-01 4.22 -6.680382583e-01 -6.680382583e-01 4.24 -6.443475726e-01 -6.443475726e-01 4.26 -6.211600272e-01 -6.211600272e-01 4.28 -5.984775037e-01 -5.984775037e-01 4.30 -5.763076024e-01 -5.763076024e-01 4.32 -5.546629347e-01 -5.546629347e-01 4.34 -5.335601107e-01 -5.335601107e-01 4.36 -5.130184753e-01 -5.130184753e-01 4.38 -4.930586732e-01 -4.930586732e-01 4.40 -4.737011299e-01 -4.737011299e-01 4.42 -4.549645441e-01 -4.549645441e-01 4.44 -4.368644753e-01 -4.368644753e-01 4.46 -4.194121067e-01 -4.194121067e-01 4.48 -4.026132499e-01 -4.026132499e-01 4.50 -3.864676497e-01 -3.864676497e-01 4.52 -3.709686253e-01 -3.709686253e-01 4.54 -3.561030680e-01 -3.561030680e-01 4.56 -3.418517826e-01 -3.418517826e-01 4.58 -3.281901345e-01 -3.281901345e-01 4.60 -3.150889376e-01 -3.150889376e-01 4.62 -3.025155041e-01 -3.025155041e-01 4.64 -2.904347743e-01 -2.904347743e-01 4.66 -2.788104508e-01 -2.788104508e-01 4.68 -2.676060781e-01 -2.676060781e-01 4.70 -2.567860293e-01 -2.567860293e-01 4.72 -2.463163776e-01 -2.463163776e-01 4.74 -2.361656489e-01 -2.361656489e-01 4.76 -2.263054591e-01 -2.263054591e-01 4.78 -2.167110428e-01 -2.167110428e-01 4.80 -2.073609213e-01 -2.073609213e-01 4.82 -1.982403856e-01 -1.982403856e-01 4.84 -1.893367754e-01 -1.893367754e-01 4.86 -1.806430099e-01 -1.806430099e-01 4.88 -1.721566300e-01 -1.721566300e-01 4.90 -1.638795775e-01 -1.638795775e-01 4.92 -1.558177887e-01 -1.558177887e-01 4.94 -1.479806000e-01 -1.479806000e-01 4.96 -1.403799724e-01 -1.403799724e-01 4.98 -1.330295691e-01 -1.330295691e-01 5.00 -1.259437341e-01 -1.259437341e-01 5.02 -1.191364442e-01 -1.191364442e-01 5.04 -1.126203052e-01 -1.126203052e-01 5.06 -1.064056749e-01 -1.064056749e-01 5.08 -1.004999807e-01 -1.004999807e-01 5.10 -9.490727106e-02 -9.490727106e-02 5.12 -8.962801932e-02 -8.962801932e-02 5.14 -8.465916858e-02 -8.465916858e-02 5.16 -7.999439245e-02 -7.999439245e-02 5.18 -7.562451729e-02 -7.562451729e-02 5.20 -7.153800067e-02 -7.153800067e-02 5.22 -6.772100643e-02 -6.772100643e-02 5.24 -6.415934765e-02 -6.415934765e-02 5.26 -6.083826441e-02 -6.083826441e-02 5.28 -5.774258503e-02 -5.774258503e-02 5.30 -5.485713916e-02 -5.485713916e-02 5.32 -5.216706335e-02 -5.216706335e-02 5.34 -4.965801003e-02 -4.965801003e-02 5.36 -4.731622397e-02 -4.731622397e-02 5.38 -4.512863382e-02 -4.512863382e-02 5.40 -4.308306545e-02 -4.308306545e-02 5.42 -4.116805219e-02 -4.116805219e-02 5.44 -3.937281583e-02 -3.937281583e-02 5.46 -3.768724707e-02 -3.768724707e-02 5.48 -3.610188244e-02 -3.610188244e-02 5.50 -3.460788055e-02 -3.460788055e-02 5.52 -3.319699909e-02 -3.319699909e-02 5.54 -3.186157263e-02 -3.186157263e-02 5.56 -3.059449057e-02 -3.059449057e-02 5.58 -2.938917486e-02 -2.938917486e-02 5.60 -2.823955707e-02 -2.823955707e-02 5.62 -2.714005462e-02 -2.714005462e-02 5.64 -2.608554641e-02 -2.608554641e-02 5.66 -2.507134854e-02 -2.507134854e-02 5.68 -2.409319061e-02 -2.409319061e-02 5.70 -2.314719326e-02 -2.314719326e-02 5.72 -2.222984775e-02 -2.222984775e-02 5.74 -2.133799821e-02 -2.133799821e-02 5.76 -2.046882689e-02 -2.046882689e-02 5.78 -1.961984288e-02 -1.961984288e-02 5.80 -1.878887424e-02 -1.878887424e-02 5.82 -1.797406341e-02 -1.797406341e-02 5.84 -1.717386547e-02 -1.717386547e-02 5.86 -1.638704854e-02 -1.638704854e-02 5.88 -1.561269530e-02 -1.561269530e-02 5.90 -1.485020455e-02 -1.485020455e-02 5.92 -1.409929116e-02 -1.409929116e-02 5.94 -1.335996837e-02 -1.335996837e-02 5.96 -1.263248680e-02 -1.263248680e-02 5.98 -1.191747797e-02 -1.191747797e-02 6.00 -1.121585926e-02 -1.121585926e-02