# 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 = Al2AuPd # 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 1.902686023e+02 1.902686023e+02 1.30 1.768560719e+02 1.768560719e+02 1.32 1.643913351e+02 1.643913351e+02 1.34 1.527997996e+02 1.527997996e+02 1.36 1.420136489e+02 1.420136489e+02 1.38 1.319695602e+02 1.319695602e+02 1.40 1.226082827e+02 1.226082827e+02 1.42 1.138755278e+02 1.138755278e+02 1.44 1.057232713e+02 1.057232713e+02 1.46 9.811054508e+01 9.811054508e+01 1.48 9.100254160e+01 9.100254160e+01 1.50 8.436790344e+01 8.436790344e+01 1.52 7.817591882e+01 7.817591882e+01 1.54 7.239538941e+01 7.239538941e+01 1.56 6.699514764e+01 6.699514764e+01 1.58 6.194513851e+01 6.194513851e+01 1.60 5.721737593e+01 5.721737593e+01 1.62 5.278667886e+01 5.278667886e+01 1.64 4.863545579e+01 4.863545579e+01 1.66 4.475992994e+01 4.475992994e+01 1.68 4.115556130e+01 4.115556130e+01 1.70 3.780530703e+01 3.780530703e+01 1.72 3.469459038e+01 3.469459038e+01 1.74 3.180757718e+01 3.180757718e+01 1.76 2.912724209e+01 2.912724209e+01 1.78 2.663743168e+01 2.663743168e+01 1.80 2.432325747e+01 2.432325747e+01 1.82 2.217128020e+01 2.217128020e+01 1.84 2.016950436e+01 2.016950436e+01 1.86 1.830723396e+01 1.830723396e+01 1.88 1.657485461e+01 1.657485461e+01 1.90 1.496362009e+01 1.496362009e+01 1.92 1.346550550e+01 1.346550550e+01 1.94 1.207313801e+01 1.207313801e+01 1.96 1.077976471e+01 1.077976471e+01 1.98 9.579197979e+00 9.579197979e+00 2.00 8.465706570e+00 8.465706570e+00 2.02 7.433873447e+00 7.433873447e+00 2.04 6.478476444e+00 6.478476444e+00 2.06 5.594433608e+00 5.594433608e+00 2.08 4.776811670e+00 4.776811670e+00 2.10 4.020867089e+00 4.020867089e+00 2.12 3.322090106e+00 3.322090106e+00 2.14 2.676237904e+00 2.676237904e+00 2.16 2.079355721e+00 2.079355721e+00 2.18 1.527789702e+00 1.527789702e+00 2.20 1.018194410e+00 1.018194410e+00 2.22 5.475344397e-01 5.475344397e-01 2.24 1.130778209e-01 1.130778209e-01 2.26 -2.876199597e-01 -2.876199597e-01 2.28 -6.567397134e-01 -6.567397134e-01 2.30 -9.962268012e-01 -9.962268012e-01 2.32 -1.307821374e+00 -1.307821374e+00 2.34 -1.593089403e+00 -1.593089403e+00 2.36 -1.853454642e+00 -1.853454642e+00 2.38 -2.090231530e+00 -2.090231530e+00 2.40 -2.304658276e+00 -2.304658276e+00 2.42 -2.497928340e+00 -2.497928340e+00 2.44 -2.671217621e+00 -2.671217621e+00 2.46 -2.825704475e+00 -2.825704475e+00 2.48 -2.962580118e+00 -2.962580118e+00 2.50 -3.083048955e+00 -3.083048955e+00 2.52 -3.188321604e+00 -3.188321604e+00 2.54 -3.279606424e+00 -3.279606424e+00 2.56 -3.358105036e+00 -3.358105036e+00 2.58 -3.425012274e+00 -3.425012274e+00 2.60 -3.481513912e+00 -3.481513912e+00 2.62 -3.528772344e+00 -3.528772344e+00 2.64 -3.567944558e+00 -3.567944558e+00 2.66 -3.600401393e+00 -3.600401393e+00 2.68 -3.626924122e+00 -3.626924122e+00 2.70 -3.647973281e+00 -3.647973281e+00 2.72 -3.663918886e+00 -3.663918886e+00 2.74 -3.676000702e+00 -3.676000702e+00 2.76 -3.684695845e+00 -3.684695845e+00 2.78 -3.689678444e+00 -3.689678444e+00 2.80 -3.690689762e+00 -3.690689762e+00 2.82 -3.687547109e+00 -3.687547109e+00 2.84 -3.680155559e+00 -3.680155559e+00 2.86 -3.668474911e+00 -3.668474911e+00 2.88 -3.652516628e+00 -3.652516628e+00 2.90 -3.632342198e+00 -3.632342198e+00 2.92 -3.608073965e+00 -3.608073965e+00 2.94 -3.579892174e+00 -3.579892174e+00 2.96 -3.548012988e+00 -3.548012988e+00 2.98 -3.512687529e+00 -3.512687529e+00 3.00 -3.474203245e+00 -3.474203245e+00 3.02 -3.432885153e+00 -3.432885153e+00 3.04 -3.389094283e+00 -3.389094283e+00 3.06 -3.343220602e+00 -3.343220602e+00 3.08 -3.295668919e+00 -3.295668919e+00 3.10 -3.246839092e+00 -3.246839092e+00 3.12 -3.197103968e+00 -3.197103968e+00 3.14 -3.146789941e+00 -3.146789941e+00 3.16 -3.096163912e+00 -3.096163912e+00 3.18 -3.045428812e+00 -3.045428812e+00 3.20 -2.994726918e+00 -2.994726918e+00 3.22 -2.944148801e+00 -2.944148801e+00 3.24 -2.893745026e+00 -2.893745026e+00 3.26 -2.843538139e+00 -2.843538139e+00 3.28 -2.793533282e+00 -2.793533282e+00 3.30 -2.743726700e+00 -2.743726700e+00 3.32 -2.694112014e+00 -2.694112014e+00 3.34 -2.644684542e+00 -2.644684542e+00 3.36 -2.595444073e+00 -2.595444073e+00 3.38 -2.546396472e+00 -2.546396472e+00 3.40 -2.497554431e+00 -2.497554431e+00 3.42 -2.448937594e+00 -2.448937594e+00 3.44 -2.400572147e+00 -2.400572147e+00 3.46 -2.352490036e+00 -2.352490036e+00 3.48 -2.304727854e+00 -2.304727854e+00 3.50 -2.257325486e+00 -2.257325486e+00 3.52 -2.210324617e+00 -2.210324617e+00 3.54 -2.163767183e+00 -2.163767183e+00 3.56 -2.117693875e+00 -2.117693875e+00 3.58 -2.072142747e+00 -2.072142747e+00 3.60 -2.027148009e+00 -2.027148009e+00 3.62 -1.982739023e+00 -1.982739023e+00 3.64 -1.938939532e+00 -1.938939532e+00 3.66 -1.895767123e+00 -1.895767123e+00 3.68 -1.853232909e+00 -1.853232909e+00 3.70 -1.811341449e+00 -1.811341449e+00 3.72 -1.770090862e+00 -1.770090862e+00 3.74 -1.729473154e+00 -1.729473154e+00 3.76 -1.689474715e+00 -1.689474715e+00 3.78 -1.650076986e+00 -1.650076986e+00 3.80 -1.611257251e+00 -1.611257251e+00 3.82 -1.572989527e+00 -1.572989527e+00 3.84 -1.535245506e+00 -1.535245506e+00 3.86 -1.497995511e+00 -1.497995511e+00 3.88 -1.461209417e+00 -1.461209417e+00 3.90 -1.424857504e+00 -1.424857504e+00 3.92 -1.388911215e+00 -1.388911215e+00 3.94 -1.353343840e+00 -1.353343840e+00 3.96 -1.318131019e+00 -1.318131019e+00 3.98 -1.283251230e+00 -1.283251230e+00 4.00 -1.248686155e+00 -1.248686155e+00 4.02 -1.214420998e+00 -1.214420998e+00 4.04 -1.180444765e+00 -1.180444765e+00 4.06 -1.146750528e+00 -1.146750528e+00 4.08 -1.113335680e+00 -1.113335680e+00 4.10 -1.080202194e+00 -1.080202194e+00 4.12 -1.047357007e+00 -1.047357007e+00 4.14 -1.014812270e+00 -1.014812270e+00 4.16 -9.825858696e-01 -9.825858696e-01 4.18 -9.507019105e-01 -9.507019105e-01 4.20 -9.191912274e-01 -9.191912274e-01 4.22 -8.880917890e-01 -8.880917890e-01 4.24 -8.574488226e-01 -8.574488226e-01 4.26 -8.273144447e-01 -8.273144447e-01 4.28 -7.977465989e-01 -7.977465989e-01 4.30 -7.688071688e-01 -7.688071688e-01 4.32 -7.405592642e-01 -7.405592642e-01 4.34 -7.130638391e-01 -7.130638391e-01 4.36 -6.863759551e-01 -6.863759551e-01 4.38 -6.605411072e-01 -6.605411072e-01 4.40 -6.355920537e-01 -6.355920537e-01 4.42 -6.115465278e-01 -6.115465278e-01 4.44 -5.884060679e-01 -5.884060679e-01 4.46 -5.661560354e-01 -5.661560354e-01 4.48 -5.447667208e-01 -5.447667208e-01 4.50 -5.241953155e-01 -5.241953155e-01 4.52 -5.043884616e-01 -5.043884616e-01 4.54 -4.852850848e-01 -4.852850848e-01 4.56 -4.668192529e-01 -4.668192529e-01 4.58 -4.489228648e-01 -4.489228648e-01 4.60 -4.315280459e-01 -4.315280459e-01 4.62 -4.145691866e-01 -4.145691866e-01 4.64 -3.979846075e-01 -3.979846075e-01 4.66 -3.817178701e-01 -3.817178701e-01 4.68 -3.657187668e-01 -3.657187668e-01 4.70 -3.499440332e-01 -3.499440332e-01 4.72 -3.343578330e-01 -3.343578330e-01 4.74 -3.189320621e-01 -3.189320621e-01 4.76 -3.036465218e-01 -3.036465218e-01 4.78 -2.884890072e-01 -2.884890072e-01 4.80 -2.734553393e-01 -2.734553393e-01 4.82 -2.585494329e-01 -2.585494329e-01 4.84 -2.437832217e-01 -2.437832217e-01 4.86 -2.291766577e-01 -2.291766577e-01 4.88 -2.147575354e-01 -2.147575354e-01 4.90 -2.005611308e-01 -2.005611308e-01 4.92 -1.866295503e-01 -1.866295503e-01 4.94 -1.730107014e-01 -1.730107014e-01 4.96 -1.597568372e-01 -1.597568372e-01 4.98 -1.469226930e-01 -1.469226930e-01 5.00 -1.345632645e-01 -1.345632645e-01 5.02 -1.227313843e-01 -1.227313843e-01 5.04 -1.114752819e-01 -1.114752819e-01 5.06 -1.008363224e-01 -1.008363224e-01 5.08 -9.084715769e-02 -9.084715769e-02 5.10 -8.153040537e-02 -8.153040537e-02 5.12 -7.289795522e-02 -7.289795522e-02 5.14 -6.495080635e-02 -6.495080635e-02 5.16 -5.767947530e-02 -5.767947530e-02 5.18 -5.106594412e-02 -5.106594412e-02 5.20 -4.508431872e-02 -4.508431872e-02 5.22 -3.970236658e-02 -3.970236658e-02 5.24 -3.488319241e-02 -3.488319241e-02 5.26 -3.058685802e-02 -3.058685802e-02 5.28 -2.677184577e-02 -2.677184577e-02 5.30 -2.339632077e-02 -2.339632077e-02 5.32 -2.041915103e-02 -2.041915103e-02 5.34 -1.780070484e-02 -1.780070484e-02 5.36 -1.550342959e-02 -1.550342959e-02 5.38 -1.349197230e-02 -1.349197230e-02 5.40 -1.173399868e-02 -1.173399868e-02 5.42 -1.020012156e-02 -1.020012156e-02 5.44 -8.863634031e-03 -8.863634031e-03 5.46 -7.700468942e-03 -7.700468942e-03 5.48 -6.689090533e-03 -6.689090533e-03 5.50 -5.810341942e-03 -5.810341942e-03 5.52 -5.047267040e-03 -5.047267040e-03 5.54 -4.384920334e-03 -4.384920334e-03 5.56 -3.810174853e-03 -3.810174853e-03 5.58 -3.311534921e-03 -3.311534921e-03 5.60 -2.878958319e-03 -2.878958319e-03 5.62 -2.503690610e-03 -2.503690610e-03 5.64 -2.178113038e-03 -2.178113038e-03 5.66 -1.895604523e-03 -1.895604523e-03 5.68 -1.650417600e-03 -1.650417600e-03 5.70 -1.437567730e-03 -1.437567730e-03 5.72 -1.252735148e-03 -1.252735148e-03 5.74 -1.092178272e-03 -1.092178272e-03 5.76 -9.526576331e-04 -9.526576331e-04 5.78 -8.313692649e-04 -8.313692649e-04 5.80 -7.258865645e-04 -7.258865645e-04 5.82 -6.341096519e-04 -6.341096519e-04 5.84 -5.542213549e-04 -5.542213549e-04 5.86 -4.846490124e-04 -4.846490124e-04 5.88 -4.240313702e-04 -4.240313702e-04 5.90 -3.711899223e-04 -3.711899223e-04 5.92 -3.251041197e-04 -3.251041197e-04 5.94 -2.848899404e-04 -2.848899404e-04 5.96 -2.497813734e-04 -2.497813734e-04 5.98 -2.191144270e-04 -2.191144270e-04 6.00 -1.923133194e-04 -1.923133194e-04