# 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 = AuPdTa2 # 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 4.166704380e+02 4.166704380e+02 1.30 3.874300144e+02 3.874300144e+02 1.32 3.603326899e+02 3.603326899e+02 1.34 3.352110477e+02 3.352110477e+02 1.36 3.119032283e+02 3.119032283e+02 1.38 2.902561069e+02 2.902561069e+02 1.40 2.701286414e+02 2.701286414e+02 1.42 2.513935118e+02 2.513935118e+02 1.44 2.339372925e+02 2.339372925e+02 1.46 2.176599202e+02 2.176599202e+02 1.48 2.024736995e+02 2.024736995e+02 1.50 1.883018149e+02 1.883018149e+02 1.52 1.750763083e+02 1.750763083e+02 1.54 1.627355919e+02 1.627355919e+02 1.56 1.512219346e+02 1.512219346e+02 1.58 1.404796865e+02 1.404796865e+02 1.60 1.304547398e+02 1.304547398e+02 1.62 1.210950315e+02 1.210950315e+02 1.64 1.123514347e+02 1.123514347e+02 1.66 1.041784443e+02 1.041784443e+02 1.68 9.653440977e+01 9.653440977e+01 1.70 8.938134641e+01 8.938134641e+01 1.72 8.268448313e+01 8.268448313e+01 1.74 7.641173640e+01 7.641173640e+01 1.76 7.053326190e+01 7.053326190e+01 1.78 6.502114870e+01 6.502114870e+01 1.80 5.984925013e+01 5.984925013e+01 1.82 5.499313087e+01 5.499313087e+01 1.84 5.043010631e+01 5.043010631e+01 1.86 4.613953000e+01 4.613953000e+01 1.88 4.210929974e+01 4.210929974e+01 1.90 3.832533708e+01 3.832533708e+01 1.92 3.477519981e+01 3.477519981e+01 1.94 3.146423574e+01 3.146423574e+01 1.96 2.838902585e+01 2.838902585e+01 1.98 2.553739261e+01 2.553739261e+01 2.00 2.289795256e+01 2.289795256e+01 2.02 2.045951701e+01 2.045951701e+01 2.04 1.821064986e+01 1.821064986e+01 2.06 1.613948771e+01 1.613948771e+01 2.08 1.423383063e+01 1.423383063e+01 2.10 1.248142313e+01 1.248142313e+01 2.12 1.087030482e+01 1.087030482e+01 2.14 9.389124573e+00 9.389124573e+00 2.16 8.027356090e+00 8.027356090e+00 2.18 6.775399364e+00 6.775399364e+00 2.20 5.624583757e+00 5.624583757e+00 2.22 4.567102096e+00 4.567102096e+00 2.24 3.595905261e+00 3.595905261e+00 2.26 2.704580766e+00 2.704580766e+00 2.28 1.887232638e+00 1.887232638e+00 2.30 1.138375941e+00 1.138375941e+00 2.32 4.528565229e-01 4.528565229e-01 2.34 -1.741971054e-01 -1.741971054e-01 2.36 -7.473889647e-01 -7.473889647e-01 2.38 -1.271044611e+00 -1.271044611e+00 2.40 -1.749187006e+00 -1.749187006e+00 2.42 -2.185514356e+00 -2.185514356e+00 2.44 -2.583391656e+00 -2.583391656e+00 2.46 -2.945860481e+00 -2.945860481e+00 2.48 -3.275663996e+00 -3.275663996e+00 2.50 -3.575279640e+00 -3.575279640e+00 2.52 -3.846951896e+00 -3.846951896e+00 2.54 -4.092683924e+00 -4.092683924e+00 2.56 -4.314143173e+00 -4.314143173e+00 2.58 -4.513216515e+00 -4.513216515e+00 2.60 -4.691671443e+00 -4.691671443e+00 2.62 -4.851101439e+00 -4.851101439e+00 2.64 -4.992946409e+00 -4.992946409e+00 2.66 -5.118507113e+00 -5.118507113e+00 2.68 -5.228956176e+00 -5.228956176e+00 2.70 -5.325311143e+00 -5.325311143e+00 2.72 -5.408173219e+00 -5.408173219e+00 2.74 -5.477976350e+00 -5.477976350e+00 2.76 -5.535177876e+00 -5.535177876e+00 2.78 -5.580248593e+00 -5.580248593e+00 2.80 -5.613665677e+00 -5.613665677e+00 2.82 -5.635909221e+00 -5.635909221e+00 2.84 -5.647461453e+00 -5.647461453e+00 2.86 -5.648807616e+00 -5.648807616e+00 2.88 -5.640437356e+00 -5.640437356e+00 2.90 -5.622845333e+00 -5.622845333e+00 2.92 -5.596529970e+00 -5.596529970e+00 2.94 -5.561989775e+00 -5.561989775e+00 2.96 -5.519717455e+00 -5.519717455e+00 2.98 -5.470252135e+00 -5.470252135e+00 3.00 -5.414309562e+00 -5.414309562e+00 3.02 -5.352272655e+00 -5.352272655e+00 3.04 -5.284437522e+00 -5.284437522e+00 3.06 -5.211022662e+00 -5.211022662e+00 3.08 -5.132252128e+00 -5.132252128e+00 3.10 -5.048354812e+00 -5.048354812e+00 3.12 -4.959566446e+00 -4.959566446e+00 3.14 -4.866134543e+00 -4.866134543e+00 3.16 -4.768328278e+00 -4.768328278e+00 3.18 -4.666469423e+00 -4.666469423e+00 3.20 -4.560927649e+00 -4.560927649e+00 3.22 -4.452110372e+00 -4.452110372e+00 3.24 -4.340475183e+00 -4.340475183e+00 3.26 -4.226533502e+00 -4.226533502e+00 3.28 -4.110846714e+00 -4.110846714e+00 3.30 -3.994015120e+00 -3.994015120e+00 3.32 -3.876659997e+00 -3.876659997e+00 3.34 -3.759400260e+00 -3.759400260e+00 3.36 -3.642826180e+00 -3.642826180e+00 3.38 -3.527473241e+00 -3.527473241e+00 3.40 -3.413799261e+00 -3.413799261e+00 3.42 -3.302167332e+00 -3.302167332e+00 3.44 -3.192836182e+00 -3.192836182e+00 3.46 -3.085958364e+00 -3.085958364e+00 3.48 -2.981585633e+00 -2.981585633e+00 3.50 -2.879680102e+00 -2.879680102e+00 3.52 -2.780129393e+00 -2.780129393e+00 3.54 -2.682764007e+00 -2.682764007e+00 3.56 -2.587375417e+00 -2.587375417e+00 3.58 -2.493733770e+00 -2.493733770e+00 3.60 -2.401604522e+00 -2.401604522e+00 3.62 -2.310763628e+00 -2.310763628e+00 3.64 -2.221011150e+00 -2.221011150e+00 3.66 -2.132183203e+00 -2.132183203e+00 3.68 -2.044162140e+00 -2.044162140e+00 3.70 -1.956884747e+00 -1.956884747e+00 3.72 -1.870348108e+00 -1.870348108e+00 3.74 -1.784612679e+00 -1.784612679e+00 3.76 -1.699802093e+00 -1.699802093e+00 3.78 -1.616099296e+00 -1.616099296e+00 3.80 -1.533738856e+00 -1.533738856e+00 3.82 -1.452995613e+00 -1.452995613e+00 3.84 -1.374170276e+00 -1.374170276e+00 3.86 -1.297572964e+00 -1.297572964e+00 3.88 -1.223506033e+00 -1.223506033e+00 3.90 -1.152247654e+00 -1.152247654e+00 3.92 -1.084037578e+00 -1.084037578e+00 3.94 -1.019066223e+00 -1.019066223e+00 3.96 -9.574678080e-01 -9.574678080e-01 3.98 -8.993177513e-01 -8.993177513e-01 4.00 -8.446340663e-01 -8.446340663e-01 4.02 -7.933820836e-01 -7.933820836e-01 4.04 -7.454815911e-01 -7.454815911e-01 4.06 -7.008153857e-01 -7.008153857e-01 4.08 -6.592382783e-01 -6.592382783e-01 4.10 -6.205857507e-01 -6.205857507e-01 4.12 -5.846816959e-01 -5.846816959e-01 4.14 -5.513448783e-01 -5.513448783e-01 4.16 -5.203940340e-01 -5.203940340e-01 4.18 -4.916516494e-01 -4.916516494e-01 4.20 -4.649466036e-01 -4.649466036e-01 4.22 -4.401159029e-01 -4.401159029e-01 4.24 -4.170057249e-01 -4.170057249e-01 4.26 -3.954719564e-01 -3.954719564e-01 4.28 -3.753803500e-01 -3.753803500e-01 4.30 -3.566063861e-01 -3.566063861e-01 4.32 -3.390348966e-01 -3.390348966e-01 4.34 -3.225595013e-01 -3.225595013e-01 4.36 -3.070819163e-01 -3.070819163e-01 4.38 -2.925112012e-01 -2.925112012e-01 4.40 -2.787630178e-01 -2.787630178e-01 4.42 -2.657589618e-01 -2.657589618e-01 4.44 -2.534260182e-01 -2.534260182e-01 4.46 -2.416961822e-01 -2.416961822e-01 4.48 -2.305062032e-01 -2.305062032e-01 4.50 -2.197973321e-01 -2.197973321e-01 4.52 -2.095159309e-01 -2.095159309e-01 4.54 -1.996131957e-01 -1.996131957e-01 4.56 -1.900451862e-01 -1.900451862e-01 4.58 -1.807732859e-01 -1.807732859e-01 4.60 -1.717644228e-01 -1.717644228e-01 4.62 -1.629911413e-01 -1.629911413e-01 4.64 -1.544317593e-01 -1.544317593e-01 4.66 -1.460704192e-01 -1.460704192e-01 4.68 -1.378970031e-01 -1.378970031e-01 4.70 -1.299068848e-01 -1.299068848e-01 4.72 -1.221005011e-01 -1.221005011e-01 4.74 -1.144827389e-01 -1.144827389e-01 4.76 -1.070621561e-01 -1.070621561e-01 4.78 -9.985007730e-02 -9.985007730e-02 4.80 -9.285962111e-02 -9.285962111e-02 4.82 -8.610473730e-02 -8.610473730e-02 4.84 -7.959931249e-02 -7.959931249e-02 4.86 -7.335642121e-02 -7.335642121e-02 4.88 -6.738774766e-02 -6.738774766e-02 4.90 -6.170319318e-02 -6.170319318e-02 4.92 -5.631065184e-02 -5.631065184e-02 4.94 -5.121591751e-02 -5.121591751e-02 4.96 -4.642267438e-02 -4.642267438e-02 4.98 -4.193251914e-02 -4.193251914e-02 5.00 -3.774500271e-02 -3.774500271e-02 5.02 -3.385765499e-02 -3.385765499e-02 5.04 -3.026600312e-02 -3.026600312e-02 5.06 -2.696359604e-02 -2.696359604e-02 5.08 -2.394204048e-02 -2.394204048e-02 5.10 -2.119109432e-02 -2.119109432e-02 5.12 -1.869882112e-02 -1.869882112e-02 5.14 -1.645166293e-02 -1.645166293e-02 5.16 -1.443473879e-02 -1.443473879e-02 5.18 -1.263281468e-02 -1.263281468e-02 5.20 -1.103002531e-02 -1.103002531e-02 5.22 -9.610210715e-03 -9.610210715e-03 5.24 -8.357263189e-03 -8.357263189e-03 5.26 -7.255429294e-03 -7.255429294e-03 5.28 -6.289558262e-03 -6.289558262e-03 5.30 -5.445293481e-03 -5.445293481e-03 5.32 -4.709208276e-03 -4.709208276e-03 5.34 -4.068890582e-03 -4.068890582e-03 5.36 -3.512983238e-03 -3.512983238e-03 5.38 -3.031187732e-03 -3.031187732e-03 5.40 -2.614239327e-03 -2.614239327e-03 5.42 -2.253861070e-03 -2.253861070e-03 5.44 -1.942703313e-03 -1.942703313e-03 5.46 -1.674274330e-03 -1.674274330e-03 5.48 -1.442866521e-03 -1.442866521e-03 5.50 -1.243481672e-03 -1.243481672e-03 5.52 -1.071757814e-03 -1.071757814e-03 5.54 -9.238994598e-04 -9.238994598e-04 5.56 -7.966123621e-04 -7.966123621e-04 5.58 -6.870434393e-04 -6.870434393e-04 5.60 -5.927261628e-04 -5.927261628e-04 5.62 -5.115314108e-04 -5.115314108e-04 5.64 -4.416236170e-04 -4.416236170e-04 5.66 -3.814219195e-04 -3.814219195e-04 5.68 -3.295659410e-04 -3.295659410e-04 5.70 -2.848857983e-04 -2.848857983e-04 5.72 -2.463759247e-04 -2.463759247e-04 5.74 -2.131723020e-04 -2.131723020e-04 5.76 -1.845327144e-04 -1.845327144e-04 5.78 -1.598196651e-04 -1.598196651e-04 5.80 -1.384856272e-04 -1.384856272e-04 5.82 -1.200603312e-04 -1.200603312e-04 5.84 -1.041398227e-04 -1.041398227e-04 5.86 -9.037705468e-05 -9.037705468e-05 5.88 -7.847380710e-05 -7.847380710e-05 5.90 -6.817375055e-05 -6.817375055e-05 5.92 -5.925649610e-05 -5.925649610e-05 5.94 -5.153249280e-05 -5.153249280e-05 5.96 -4.483865351e-05 -4.483865351e-05 5.98 -3.903460569e-05 -3.903460569e-05 6.00 -3.399947817e-05 -3.399947817e-05