# 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 = AuPd2Pt # 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 3.710113944e+02 3.710113944e+02 1.30 3.451766317e+02 3.451766317e+02 1.32 3.211277286e+02 3.211277286e+02 1.34 2.987270496e+02 2.987270496e+02 1.36 2.778488710e+02 2.778488710e+02 1.38 2.583787302e+02 2.583787302e+02 1.40 2.402141204e+02 2.402141204e+02 1.42 2.232642611e+02 2.232642611e+02 1.44 2.074470063e+02 2.074470063e+02 1.46 1.926847716e+02 1.926847716e+02 1.48 1.789024694e+02 1.789024694e+02 1.50 1.660276811e+02 1.660276811e+02 1.52 1.539914579e+02 1.539914579e+02 1.54 1.427289605e+02 1.427289605e+02 1.56 1.321802256e+02 1.321802256e+02 1.58 1.222910862e+02 1.222910862e+02 1.60 1.130135832e+02 1.130135832e+02 1.62 1.043052973e+02 1.043052973e+02 1.64 9.612790400e+01 9.612790400e+01 1.66 8.844593590e+01 8.844593590e+01 1.68 8.122644126e+01 8.122644126e+01 1.70 7.443928958e+01 7.443928958e+01 1.72 6.805740912e+01 6.805740912e+01 1.74 6.207193394e+01 6.207193394e+01 1.76 5.653773170e+01 5.653773170e+01 1.78 5.143936412e+01 5.143936412e+01 1.80 4.674060128e+01 4.674060128e+01 1.82 4.240810374e+01 4.240810374e+01 1.84 3.841206403e+01 3.841206403e+01 1.86 3.472639681e+01 3.472639681e+01 1.88 3.132841502e+01 3.132841502e+01 1.90 2.819811326e+01 2.819811326e+01 1.92 2.531728521e+01 2.531728521e+01 1.94 2.266874206e+01 2.266874206e+01 1.96 2.023583875e+01 2.023583875e+01 1.98 1.800236278e+01 1.800236278e+01 2.00 1.595268449e+01 1.595268449e+01 2.02 1.407199947e+01 1.407199947e+01 2.04 1.234652595e+01 1.234652595e+01 2.06 1.076359758e+01 1.076359758e+01 2.08 9.311655691e+00 9.311655691e+00 2.10 7.980174032e+00 7.980174032e+00 2.12 6.759553905e+00 6.759553905e+00 2.14 5.641021292e+00 5.641021292e+00 2.16 4.616544937e+00 4.616544937e+00 2.18 3.678778828e+00 3.678778828e+00 2.20 2.821020764e+00 2.821020764e+00 2.22 2.037175790e+00 2.037175790e+00 2.24 1.321717000e+00 1.321717000e+00 2.26 6.696411748e-01 6.696411748e-01 2.28 7.641942729e-02 7.641942729e-02 2.30 -4.620561957e-01 -4.620561957e-01 2.32 -9.495287852e-01 -9.495287852e-01 2.34 -1.389433250e+00 -1.389433250e+00 2.36 -1.784950794e+00 -1.784950794e+00 2.38 -2.139058392e+00 -2.139058392e+00 2.40 -2.454571775e+00 -2.454571775e+00 2.42 -2.734182536e+00 -2.734182536e+00 2.44 -2.980491260e+00 -2.980491260e+00 2.46 -3.196711320e+00 -3.196711320e+00 2.48 -3.386345783e+00 -3.386345783e+00 2.50 -3.551414357e+00 -3.551414357e+00 2.52 -3.693939293e+00 -3.693939293e+00 2.54 -3.815947288e+00 -3.815947288e+00 2.56 -3.919416659e+00 -3.919416659e+00 2.58 -4.006215863e+00 -4.006215863e+00 2.60 -4.078047927e+00 -4.078047927e+00 2.62 -4.136413329e+00 -4.136413329e+00 2.64 -4.182597032e+00 -4.182597032e+00 2.66 -4.217677663e+00 -4.217677663e+00 2.68 -4.242552103e+00 -4.242552103e+00 2.70 -4.257967526e+00 -4.257967526e+00 2.72 -4.264563177e+00 -4.264563177e+00 2.74 -4.263433117e+00 -4.263433117e+00 2.76 -4.255139385e+00 -4.255139385e+00 2.78 -4.239770026e+00 -4.239770026e+00 2.80 -4.217463426e+00 -4.217463426e+00 2.82 -4.188408990e+00 -4.188408990e+00 2.84 -4.152849337e+00 -4.152849337e+00 2.86 -4.111086030e+00 -4.111086030e+00 2.88 -4.063487256e+00 -4.063487256e+00 2.90 -4.010498408e+00 -4.010498408e+00 2.92 -3.952688953e+00 -3.952688953e+00 2.94 -3.890720150e+00 -3.890720150e+00 2.96 -3.825288653e+00 -3.825288653e+00 2.98 -3.757102185e+00 -3.757102185e+00 3.00 -3.686848506e+00 -3.686848506e+00 3.02 -3.615163473e+00 -3.615163473e+00 3.04 -3.542604252e+00 -3.542604252e+00 3.06 -3.469632276e+00 -3.469632276e+00 3.08 -3.396607800e+00 -3.396607800e+00 3.10 -3.323795055e+00 -3.323795055e+00 3.12 -3.251374922e+00 -3.251374922e+00 3.14 -3.179461490e+00 -3.179461490e+00 3.16 -3.108119244e+00 -3.108119244e+00 3.18 -3.037378757e+00 -3.037378757e+00 3.20 -2.967249792e+00 -2.967249792e+00 3.22 -2.897755713e+00 -2.897755713e+00 3.24 -2.828967055e+00 -2.828967055e+00 3.26 -2.760943776e+00 -2.760943776e+00 3.28 -2.693732879e+00 -2.693732879e+00 3.30 -2.627374340e+00 -2.627374340e+00 3.32 -2.561904976e+00 -2.561904976e+00 3.34 -2.497360790e+00 -2.497360790e+00 3.36 -2.433778186e+00 -2.433778186e+00 3.38 -2.371194322e+00 -2.371194322e+00 3.40 -2.309646822e+00 -2.309646822e+00 3.42 -2.249173044e+00 -2.249173044e+00 3.44 -2.189809054e+00 -2.189809054e+00 3.46 -2.131588480e+00 -2.131588480e+00 3.48 -2.074541358e+00 -2.074541358e+00 3.50 -2.018693067e+00 -2.018693067e+00 3.52 -1.964063401e+00 -1.964063401e+00 3.54 -1.910665841e+00 -1.910665841e+00 3.56 -1.858506997e+00 -1.858506997e+00 3.58 -1.807586246e+00 -1.807586246e+00 3.60 -1.757895541e+00 -1.757895541e+00 3.62 -1.709419393e+00 -1.709419393e+00 3.64 -1.662135013e+00 -1.662135013e+00 3.66 -1.616012630e+00 -1.616012630e+00 3.68 -1.571015982e+00 -1.571015982e+00 3.70 -1.527102993e+00 -1.527102993e+00 3.72 -1.484226637e+00 -1.484226637e+00 3.74 -1.442335959e+00 -1.442335959e+00 3.76 -1.401377245e+00 -1.401377245e+00 3.78 -1.361295265e+00 -1.361295265e+00 3.80 -1.322034546e+00 -1.322034546e+00 3.82 -1.283540586e+00 -1.283540586e+00 3.84 -1.245760962e+00 -1.245760962e+00 3.86 -1.208646281e+00 -1.208646281e+00 3.88 -1.172150959e+00 -1.172150959e+00 3.90 -1.136233847e+00 -1.136233847e+00 3.92 -1.100858763e+00 -1.100858763e+00 3.94 -1.065994989e+00 -1.065994989e+00 3.96 -1.031617810e+00 -1.031617810e+00 3.98 -9.977091623e-01 -9.977091623e-01 4.00 -9.642583982e-01 -9.642583982e-01 4.02 -9.312631531e-01 -9.312631531e-01 4.04 -8.987302177e-01 -8.987302177e-01 4.06 -8.666762761e-01 -8.666762761e-01 4.08 -8.351283252e-01 -8.351283252e-01 4.10 -8.041235753e-01 -8.041235753e-01 4.12 -7.737086811e-01 -7.737086811e-01 4.14 -7.439381313e-01 -7.439381313e-01 4.16 -7.148718682e-01 -7.148718682e-01 4.18 -6.865721728e-01 -6.865721728e-01 4.20 -6.591000603e-01 -6.591000603e-01 4.22 -6.325114900e-01 -6.325114900e-01 4.24 -6.068537475e-01 -6.068537475e-01 4.26 -5.821623487e-01 -5.821623487e-01 4.28 -5.584587568e-01 -5.584587568e-01 4.30 -5.357490918e-01 -5.357490918e-01 4.32 -5.140238883e-01 -5.140238883e-01 4.34 -4.932588260e-01 -4.932588260e-01 4.36 -4.734162592e-01 -4.734162592e-01 4.38 -4.544473088e-01 -4.544473088e-01 4.40 -4.362942675e-01 -4.362942675e-01 4.42 -4.188930886e-01 -4.188930886e-01 4.44 -4.021757799e-01 -4.021757799e-01 4.46 -3.860725818e-01 -3.860725818e-01 4.48 -3.705138673e-01 -3.705138673e-01 4.50 -3.554317537e-01 -3.554317537e-01 4.52 -3.407614490e-01 -3.407614490e-01 4.54 -3.264423786e-01 -3.264423786e-01 4.56 -3.124191474e-01 -3.124191474e-01 4.58 -2.986423868e-01 -2.986423868e-01 4.60 -2.850695267e-01 -2.850695267e-01 4.62 -2.716655128e-01 -2.716655128e-01 4.64 -2.584034679e-01 -2.584034679e-01 4.66 -2.452652748e-01 -2.452652748e-01 4.68 -2.322420358e-01 -2.322420358e-01 4.70 -2.193343515e-01 -2.193343515e-01 4.72 -2.065523499e-01 -2.065523499e-01 4.74 -1.939154027e-01 -1.939154027e-01 4.76 -1.814514779e-01 -1.814514779e-01 4.78 -1.691961004e-01 -1.691961004e-01 4.80 -1.571909269e-01 -1.571909269e-01 4.82 -1.454819857e-01 -1.454819857e-01 4.84 -1.341176465e-01 -1.341176465e-01 4.86 -1.231464587e-01 -1.231464587e-01 4.88 -1.126149768e-01 -1.126149768e-01 4.90 -1.025657246e-01 -1.025657246e-01 4.92 -9.303542791e-02 -9.303542791e-02 4.94 -8.405362181e-02 -8.405362181e-02 4.96 -7.564171566e-02 -7.564171566e-02 4.98 -6.781252115e-02 -6.781252115e-02 5.00 -6.057022888e-02 -6.057022888e-02 5.02 -5.391079558e-02 -5.391079558e-02 5.04 -4.782294541e-02 -4.782294541e-02 5.06 -4.228869689e-02 -4.228869689e-02 5.08 -3.728407555e-02 -3.728407555e-02 5.10 -3.278096447e-02 -3.278096447e-02 5.12 -2.874820019e-02 -2.874820019e-02 5.14 -2.515262405e-02 -2.515262405e-02 5.16 -2.196005716e-02 -2.196005716e-02 5.18 -1.913614468e-02 -1.913614468e-02 5.20 -1.664706506e-02 -1.664706506e-02 5.22 -1.446011611e-02 -1.446011611e-02 5.24 -1.254406845e-02 -1.254406845e-02 5.26 -1.086955396e-02 -1.086955396e-02 5.28 -9.409590081e-03 -9.409590081e-03 5.30 -8.139332749e-03 -8.139332749e-03 5.32 -7.036122867e-03 -7.036122867e-03 5.34 -6.079473908e-03 -6.079473908e-03 5.36 -5.251003222e-03 -5.251003222e-03 5.38 -4.534323806e-03 -4.534323806e-03 5.40 -3.914910466e-03 -3.914910466e-03 5.42 -3.379951509e-03 -3.379951509e-03 5.44 -2.918194572e-03 -2.918194572e-03 5.46 -2.519792987e-03 -2.519792987e-03 5.48 -2.176157251e-03 -2.176157251e-03 5.50 -1.879814650e-03 -1.879814650e-03 5.52 -1.624278904e-03 -1.624278904e-03 5.54 -1.403930823e-03 -1.403930823e-03 5.56 -1.213910267e-03 -1.213910267e-03 5.58 -1.050019252e-03 -1.050019252e-03 5.60 -9.086357284e-04 -9.086357284e-04 5.62 -7.866373334e-04 -7.866373334e-04 5.64 -6.813343426e-04 -6.813343426e-04 5.66 -5.904109615e-04 -5.904109615e-04 5.68 -5.118741215e-04 -5.118741215e-04 5.70 -4.440089601e-04 -4.440089601e-04 5.72 -3.853402144e-04 -3.853402144e-04 5.74 -3.345988185e-04 -3.345988185e-04 5.76 -2.906930543e-04 -2.906930543e-04 5.78 -2.526836736e-04 -2.526836736e-04 5.80 -2.197624721e-04 -2.197624721e-04 5.82 -1.912338531e-04 -1.912338531e-04 5.84 -1.664989774e-04 -1.664989774e-04 5.86 -1.450421450e-04 -1.450421450e-04 5.88 -1.264190986e-04 -1.264190986e-04 5.90 -1.102469817e-04 -1.102469817e-04 5.92 -9.619571963e-05 -9.619571963e-05 5.94 -8.398062101e-05 -8.398062101e-05 5.96 -7.335602812e-05 -7.335602812e-05 5.98 -6.410986690e-05 -6.410986690e-05 6.00 -5.605896838e-05 -5.605896838e-05