# 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 = AlCuMo2 # 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 1.788965328e+02 1.788965328e+02 1.30 1.654200714e+02 1.654200714e+02 1.32 1.529711215e+02 1.529711215e+02 1.34 1.414594990e+02 1.414594990e+02 1.36 1.308008097e+02 1.308008097e+02 1.38 1.209184507e+02 1.209184507e+02 1.40 1.117447230e+02 1.117447230e+02 1.42 1.032205299e+02 1.032205299e+02 1.44 9.529388479e+01 9.529388479e+01 1.46 8.791823323e+01 8.791823323e+01 1.48 8.105163897e+01 8.105163897e+01 1.50 7.465686901e+01 7.465686901e+01 1.52 6.870149470e+01 6.870149470e+01 1.54 6.315732430e+01 6.315732430e+01 1.56 5.799929628e+01 5.799929628e+01 1.58 5.320438271e+01 5.320438271e+01 1.60 4.875085485e+01 4.875085485e+01 1.62 4.461787869e+01 4.461787869e+01 1.64 4.078524957e+01 4.078524957e+01 1.66 3.723319518e+01 3.723319518e+01 1.68 3.394232129e+01 3.394232129e+01 1.70 3.089571276e+01 3.089571276e+01 1.72 2.807890928e+01 2.807890928e+01 1.74 2.547403879e+01 2.547403879e+01 1.76 2.306388216e+01 2.306388216e+01 1.78 2.083370226e+01 2.083370226e+01 1.80 1.876934750e+01 1.876934750e+01 1.82 1.685697576e+01 1.685697576e+01 1.84 1.508449878e+01 1.508449878e+01 1.86 1.344162296e+01 1.344162296e+01 1.88 1.191961917e+01 1.191961917e+01 1.90 1.051090474e+01 1.051090474e+01 1.92 9.208585107e+00 9.208585107e+00 1.94 8.006097877e+00 8.006097877e+00 1.96 6.897035024e+00 6.897035024e+00 1.98 5.875125118e+00 5.875125118e+00 2.00 4.934293733e+00 4.934293733e+00 2.02 4.068718793e+00 4.068718793e+00 2.04 3.272838297e+00 3.272838297e+00 2.06 2.541313141e+00 2.541313141e+00 2.08 1.868978353e+00 1.868978353e+00 2.10 1.250824164e+00 1.250824164e+00 2.12 6.820320854e-01 6.820320854e-01 2.14 1.580611059e-01 1.580611059e-01 2.16 -3.252460917e-01 -3.252460917e-01 2.18 -7.715751484e-01 -7.715751484e-01 2.20 -1.184099009e+00 -1.184099009e+00 2.22 -1.565493866e+00 -1.565493866e+00 2.24 -1.918003600e+00 -1.918003600e+00 2.26 -2.243532617e+00 -2.243532617e+00 2.28 -2.543743595e+00 -2.543743595e+00 2.30 -2.820139439e+00 -2.820139439e+00 2.32 -3.074116135e+00 -3.074116135e+00 2.34 -3.306982986e+00 -3.306982986e+00 2.36 -3.519958417e+00 -3.519958417e+00 2.38 -3.714157008e+00 -3.714157008e+00 2.40 -3.890583480e+00 -3.890583480e+00 2.42 -4.050141408e+00 -4.050141408e+00 2.44 -4.193580304e+00 -4.193580304e+00 2.46 -4.321476143e+00 -4.321476143e+00 2.48 -4.434781819e+00 -4.434781819e+00 2.50 -4.534432781e+00 -4.534432781e+00 2.52 -4.621320944e+00 -4.621320944e+00 2.54 -4.696306855e+00 -4.696306855e+00 2.56 -4.760228019e+00 -4.760228019e+00 2.58 -4.813903420e+00 -4.813903420e+00 2.60 -4.858122738e+00 -4.858122738e+00 2.62 -4.893391710e+00 -4.893391710e+00 2.64 -4.919937823e+00 -4.919937823e+00 2.66 -4.938001571e+00 -4.938001571e+00 2.68 -4.947831623e+00 -4.947831623e+00 2.70 -4.949669585e+00 -4.949669585e+00 2.72 -4.943743285e+00 -4.943743285e+00 2.74 -4.930266782e+00 -4.930266782e+00 2.76 -4.909444366e+00 -4.909444366e+00 2.78 -4.881476839e+00 -4.881476839e+00 2.80 -4.846569944e+00 -4.846569944e+00 2.82 -4.804972690e+00 -4.804972690e+00 2.84 -4.757604953e+00 -4.757604953e+00 2.86 -4.704823434e+00 -4.704823434e+00 2.88 -4.646598116e+00 -4.646598116e+00 2.90 -4.583038252e+00 -4.583038252e+00 2.92 -4.514388775e+00 -4.514388775e+00 2.94 -4.441020961e+00 -4.441020961e+00 2.96 -4.363415834e+00 -4.363415834e+00 2.98 -4.282139814e+00 -4.282139814e+00 3.00 -4.197818449e+00 -4.197818449e+00 3.02 -4.111125117e+00 -4.111125117e+00 3.04 -4.022726910e+00 -4.022726910e+00 3.06 -3.933230268e+00 -3.933230268e+00 3.08 -3.843150188e+00 -3.843150188e+00 3.10 -3.752888042e+00 -3.752888042e+00 3.12 -3.662719252e+00 -3.662719252e+00 3.14 -3.572791769e+00 -3.572791769e+00 3.16 -3.483134751e+00 -3.483134751e+00 3.18 -3.393676035e+00 -3.393676035e+00 3.20 -3.304265830e+00 -3.304265830e+00 3.22 -3.214704073e+00 -3.214704073e+00 3.24 -3.124769035e+00 -3.124769035e+00 3.26 -3.034245327e+00 -3.034245327e+00 3.28 -2.942949934e+00 -2.942949934e+00 3.30 -2.850755328e+00 -2.850755328e+00 3.32 -2.757608766e+00 -2.757608766e+00 3.34 -2.663546938e+00 -2.663546938e+00 3.36 -2.568705010e+00 -2.568705010e+00 3.38 -2.473319184e+00 -2.473319184e+00 3.40 -2.377722097e+00 -2.377722097e+00 3.42 -2.282330908e+00 -2.282330908e+00 3.44 -2.187628522e+00 -2.187628522e+00 3.46 -2.094139295e+00 -2.094139295e+00 3.48 -2.002401214e+00 -2.002401214e+00 3.50 -1.912937118e+00 -1.912937118e+00 3.52 -1.826227657e+00 -1.826227657e+00 3.54 -1.742688483e+00 -1.742688483e+00 3.56 -1.662653493e+00 -1.662653493e+00 3.58 -1.586365139e+00 -1.586365139e+00 3.60 -1.513971873e+00 -1.513971873e+00 3.62 -1.445532013e+00 -1.445532013e+00 3.64 -1.381022719e+00 -1.381022719e+00 3.66 -1.320352501e+00 -1.320352501e+00 3.68 -1.263375626e+00 -1.263375626e+00 3.70 -1.209906997e+00 -1.209906997e+00 3.72 -1.159736304e+00 -1.159736304e+00 3.74 -1.112640631e+00 -1.112640631e+00 3.76 -1.068394948e+00 -1.068394948e+00 3.78 -1.026780212e+00 -1.026780212e+00 3.80 -9.875890089e-01 -9.875890089e-01 3.82 -9.506288399e-01 -9.506288399e-01 3.84 -9.157233194e-01 -9.157233194e-01 3.86 -8.827116834e-01 -8.827116834e-01 3.88 -8.514471039e-01 -8.514471039e-01 3.90 -8.217943496e-01 -8.217943496e-01 3.92 -7.936273020e-01 -7.936273020e-01 3.94 -7.668267640e-01 -7.668267640e-01 3.96 -7.412787784e-01 -7.412787784e-01 3.98 -7.168736342e-01 -7.168736342e-01 4.00 -6.935054730e-01 -6.935054730e-01 4.02 -6.710723982e-01 -6.710723982e-01 4.04 -6.494769275e-01 -6.494769275e-01 4.06 -6.286266161e-01 -6.286266161e-01 4.08 -6.084347576e-01 -6.084347576e-01 4.10 -5.888211104e-01 -5.888211104e-01 4.12 -5.697126668e-01 -5.697126668e-01 4.14 -5.510441231e-01 -5.510441231e-01 4.16 -5.327587527e-01 -5.327587527e-01 4.18 -5.148095147e-01 -5.148095147e-01 4.20 -4.971590855e-01 -4.971590855e-01 4.22 -4.797804340e-01 -4.797804340e-01 4.24 -4.626572000e-01 -4.626572000e-01 4.26 -4.457837688e-01 -4.457837688e-01 4.28 -4.291649612e-01 -4.291649612e-01 4.30 -4.128152781e-01 -4.128152781e-01 4.32 -3.967576774e-01 -3.967576774e-01 4.34 -3.810219119e-01 -3.810219119e-01 4.36 -3.656425039e-01 -3.656425039e-01 4.38 -3.506564777e-01 -3.506564777e-01 4.40 -3.361009890e-01 -3.361009890e-01 4.42 -3.220109982e-01 -3.220109982e-01 4.44 -3.084171211e-01 -3.084171211e-01 4.46 -2.953437761e-01 -2.953437761e-01 4.48 -2.828077188e-01 -2.828077188e-01 4.50 -2.708170361e-01 -2.708170361e-01 4.52 -2.593706381e-01 -2.593706381e-01 4.54 -2.484582586e-01 -2.484582586e-01 4.56 -2.380609318e-01 -2.380609318e-01 4.58 -2.281518860e-01 -2.281518860e-01 4.60 -2.186977593e-01 -2.186977593e-01 4.62 -2.096599429e-01 -2.096599429e-01 4.64 -2.009961782e-01 -2.009961782e-01 4.66 -1.926623922e-01 -1.926623922e-01 4.68 -1.846138303e-01 -1.846138303e-01 4.70 -1.768064492e-01 -1.768064492e-01 4.72 -1.691981812e-01 -1.691981812e-01 4.74 -1.617500532e-01 -1.617500532e-01 4.76 -1.544271737e-01 -1.544271737e-01 4.78 -1.471996022e-01 -1.471996022e-01 4.80 -1.400431031e-01 -1.400431031e-01 4.82 -1.329398127e-01 -1.329398127e-01 4.84 -1.258787136e-01 -1.258787136e-01 4.86 -1.188560011e-01 -1.188560011e-01 4.88 -1.118752046e-01 -1.118752046e-01 4.90 -1.049470525e-01 -1.049470525e-01 4.92 -9.808902941e-02 -9.808902941e-02 4.94 -9.132459930e-02 -9.132459930e-02 4.96 -8.468209550e-02 -8.468209550e-02 4.98 -7.819331241e-02 -7.819331241e-02 5.00 -7.189187302e-02 -7.189187302e-02 5.02 -6.581147856e-02 -6.581147856e-02 5.04 -5.998416856e-02 -5.998416856e-02 5.06 -5.443872485e-02 -5.443872485e-02 5.08 -4.919933865e-02 -4.919933865e-02 5.10 -4.428463434e-02 -4.428463434e-02 5.12 -3.970710407e-02 -3.970710407e-02 5.14 -3.547293754e-02 -3.547293754e-02 5.16 -3.158223590e-02 -3.158223590e-02 5.18 -2.802952310e-02 -2.802952310e-02 5.20 -2.480449434e-02 -2.480449434e-02 5.22 -2.189290558e-02 -2.189290558e-02 5.24 -1.927750087e-02 -1.927750087e-02 5.26 -1.693889778e-02 -1.693889778e-02 5.28 -1.485606224e-02 -1.485606224e-02 5.30 -1.300797939e-02 -1.300797939e-02 5.32 -1.137380973e-02 -1.137380973e-02 5.34 -9.933139442e-03 -9.933139442e-03 5.36 -8.666385692e-03 -8.666385692e-03 5.38 -7.555078547e-03 -7.555078547e-03 5.40 -6.582038909e-03 -6.582038909e-03 5.42 -5.731472445e-03 -5.731472445e-03 5.44 -4.988998281e-03 -4.988998281e-03 5.46 -4.341629146e-03 -4.341629146e-03 5.48 -3.777717084e-03 -3.777717084e-03 5.50 -3.286876295e-03 -3.286876295e-03 5.52 -2.859892194e-03 -2.859892194e-03 5.54 -2.488623624e-03 -2.488623624e-03 5.56 -2.165903376e-03 -2.165903376e-03 5.58 -1.885440611e-03 -1.885440611e-03 5.60 -1.641727675e-03 -1.641727675e-03 5.62 -1.429952827e-03 -1.429952827e-03 5.64 -1.245919744e-03 -1.245919744e-03 5.66 -1.085974170e-03 -1.085974170e-03 5.68 -9.469377157e-04 -9.469377157e-04 5.70 -8.260485681e-04 -8.260485681e-04 5.72 -7.209087478e-04 -7.209087478e-04 5.74 -6.294374228e-04 -6.294374228e-04 5.76 -5.498297716e-04 -5.498297716e-04 5.78 -4.805208675e-04 -4.805208675e-04 5.80 -4.201540667e-04 -4.201540667e-04 5.82 -3.675534088e-04 -3.675534088e-04 5.84 -3.216995691e-04 -3.216995691e-04 5.86 -2.817089440e-04 -2.817089440e-04 5.88 -2.468154854e-04 -2.468154854e-04 5.90 -2.163549408e-04 -2.163549408e-04 5.92 -1.897511946e-04 -1.897511946e-04 5.94 -1.665044371e-04 -1.665044371e-04 5.96 -1.461809241e-04 -1.461809241e-04 5.98 -1.284041158e-04 -1.284041158e-04 6.00 -1.128470120e-04 -1.128470120e-04