# 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 = AgPtTi2 # 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 3.235921528e+02 3.235921528e+02 1.30 3.010081719e+02 3.010081719e+02 1.32 2.800125302e+02 2.800125302e+02 1.34 2.604908804e+02 2.604908804e+02 1.36 2.423378517e+02 2.423378517e+02 1.38 2.254510925e+02 2.254510925e+02 1.40 2.097309282e+02 2.097309282e+02 1.42 1.950834670e+02 1.950834670e+02 1.44 1.814234058e+02 1.814234058e+02 1.46 1.686751173e+02 1.686751173e+02 1.48 1.567723066e+02 1.567723066e+02 1.50 1.456565196e+02 1.456565196e+02 1.52 1.352748321e+02 1.352748321e+02 1.54 1.255775968e+02 1.255775968e+02 1.56 1.165170501e+02 1.165170501e+02 1.58 1.080468513e+02 1.080468513e+02 1.60 1.001222861e+02 1.001222861e+02 1.62 9.270093538e+01 9.270093538e+01 1.64 8.574361648e+01 8.574361648e+01 1.66 7.921534378e+01 7.921534378e+01 1.68 7.308606002e+01 7.308606002e+01 1.70 6.733082102e+01 6.733082102e+01 1.72 6.192903617e+01 6.192903617e+01 1.74 5.686267242e+01 5.686267242e+01 1.76 5.211411911e+01 5.211411911e+01 1.78 4.766485371e+01 4.766485371e+01 1.80 4.349566545e+01 4.349566545e+01 1.82 3.960655478e+01 3.960655478e+01 1.84 3.601617990e+01 3.601617990e+01 1.86 3.270130576e+01 3.270130576e+01 1.88 2.963958631e+01 2.963958631e+01 1.90 2.681113137e+01 2.681113137e+01 1.92 2.419816330e+01 2.419816330e+01 1.94 2.178466655e+01 2.178466655e+01 1.96 1.955603464e+01 1.955603464e+01 1.98 1.749875634e+01 1.749875634e+01 2.00 1.560021000e+01 1.560021000e+01 2.02 1.384858152e+01 1.384858152e+01 2.04 1.223285843e+01 1.223285843e+01 2.06 1.074284219e+01 1.074284219e+01 2.08 9.369147536e+00 9.369147536e+00 2.10 8.103175106e+00 8.103175106e+00 2.12 6.937048631e+00 6.937048631e+00 2.14 5.863525471e+00 5.863525471e+00 2.16 4.875905871e+00 4.875905871e+00 2.18 3.967965565e+00 3.967965565e+00 2.20 3.133917083e+00 3.133917083e+00 2.22 2.368387923e+00 2.368387923e+00 2.24 1.666404236e+00 1.666404236e+00 2.26 1.023375106e+00 1.023375106e+00 2.28 4.350754875e-01 4.350754875e-01 2.30 -1.023752643e-01 -1.023752643e-01 2.32 -5.925448923e-01 -5.925448923e-01 2.34 -1.038726820e+00 -1.038726820e+00 2.36 -1.443979836e+00 -1.443979836e+00 2.38 -1.811162895e+00 -1.811162895e+00 2.40 -2.142964462e+00 -2.142964462e+00 2.42 -2.441928017e+00 -2.441928017e+00 2.44 -2.710474088e+00 -2.710474088e+00 2.46 -2.950919105e+00 -2.950919105e+00 2.48 -3.165490224e+00 -3.165490224e+00 2.50 -3.356334602e+00 -3.356334602e+00 2.52 -3.525519310e+00 -3.525519310e+00 2.54 -3.675017887e+00 -3.675017887e+00 2.56 -3.806683601e+00 -3.806683601e+00 2.58 -3.922394395e+00 -3.922394395e+00 2.60 -4.024742987e+00 -4.024742987e+00 2.62 -4.114927721e+00 -4.114927721e+00 2.64 -4.193766048e+00 -4.193766048e+00 2.66 -4.261958087e+00 -4.261958087e+00 2.68 -4.320173355e+00 -4.320173355e+00 2.70 -4.368961140e+00 -4.368961140e+00 2.72 -4.408697890e+00 -4.408697890e+00 2.74 -4.439751039e+00 -4.439751039e+00 2.76 -4.462484201e+00 -4.462484201e+00 2.78 -4.477258946e+00 -4.477258946e+00 2.80 -4.484435754e+00 -4.484435754e+00 2.82 -4.484374995e+00 -4.484374995e+00 2.84 -4.477438074e+00 -4.477438074e+00 2.86 -4.463910550e+00 -4.463910550e+00 2.88 -4.444003474e+00 -4.444003474e+00 2.90 -4.417985906e+00 -4.417985906e+00 2.92 -4.386197228e+00 -4.386197228e+00 2.94 -4.349048838e+00 -4.349048838e+00 2.96 -4.307021644e+00 -4.307021644e+00 2.98 -4.260657010e+00 -4.260657010e+00 3.00 -4.210539767e+00 -4.210539767e+00 3.02 -4.157273481e+00 -4.157273481e+00 3.04 -4.101450182e+00 -4.101450182e+00 3.06 -4.043619244e+00 -4.043619244e+00 3.08 -3.984259883e+00 -3.984259883e+00 3.10 -3.923798128e+00 -3.923798128e+00 3.12 -3.862589482e+00 -3.862589482e+00 3.14 -3.800766478e+00 -3.800766478e+00 3.16 -3.738400007e+00 -3.738400007e+00 3.18 -3.675524247e+00 -3.675524247e+00 3.20 -3.612151766e+00 -3.612151766e+00 3.22 -3.548286246e+00 -3.548286246e+00 3.24 -3.483931730e+00 -3.483931730e+00 3.26 -3.419098440e+00 -3.419098440e+00 3.28 -3.353806314e+00 -3.353806314e+00 3.30 -3.288089617e+00 -3.288089617e+00 3.32 -3.221993975e+00 -3.221993975e+00 3.34 -3.155573159e+00 -3.155573159e+00 3.36 -3.088888274e+00 -3.088888274e+00 3.38 -3.022006962e+00 -3.022006962e+00 3.40 -2.955003104e+00 -2.955003104e+00 3.42 -2.887978512e+00 -2.887978512e+00 3.44 -2.821072848e+00 -2.821072848e+00 3.46 -2.754424492e+00 -2.754424492e+00 3.48 -2.688168584e+00 -2.688168584e+00 3.50 -2.622438641e+00 -2.622438641e+00 3.52 -2.557366982e+00 -2.557366982e+00 3.54 -2.493083554e+00 -2.493083554e+00 3.56 -2.429712964e+00 -2.429712964e+00 3.58 -2.367370010e+00 -2.367370010e+00 3.60 -2.306154481e+00 -2.306154481e+00 3.62 -2.246146328e+00 -2.246146328e+00 3.64 -2.187402293e+00 -2.187402293e+00 3.66 -2.129954675e+00 -2.129954675e+00 3.68 -2.073812393e+00 -2.073812393e+00 3.70 -2.018963916e+00 -2.018963916e+00 3.72 -1.965381380e+00 -1.965381380e+00 3.74 -1.913025115e+00 -1.913025115e+00 3.76 -1.861847977e+00 -1.861847977e+00 3.78 -1.811799108e+00 -1.811799108e+00 3.80 -1.762826935e+00 -1.762826935e+00 3.82 -1.714881393e+00 -1.714881393e+00 3.84 -1.667915426e+00 -1.667915426e+00 3.86 -1.621885879e+00 -1.621885879e+00 3.88 -1.576753888e+00 -1.576753888e+00 3.90 -1.532484903e+00 -1.532484903e+00 3.92 -1.489048410e+00 -1.489048410e+00 3.94 -1.446417769e+00 -1.446417769e+00 3.96 -1.404569544e+00 -1.404569544e+00 3.98 -1.363483446e+00 -1.363483446e+00 4.00 -1.323142178e+00 -1.323142178e+00 4.02 -1.283531568e+00 -1.283531568e+00 4.04 -1.244640944e+00 -1.244640944e+00 4.06 -1.206463718e+00 -1.206463718e+00 4.08 -1.168998102e+00 -1.168998102e+00 4.10 -1.132247720e+00 -1.132247720e+00 4.12 -1.096222591e+00 -1.096222591e+00 4.14 -1.060938649e+00 -1.060938649e+00 4.16 -1.026417911e+00 -1.026417911e+00 4.18 -9.926874049e-01 -9.926874049e-01 4.20 -9.597775561e-01 -9.597775561e-01 4.22 -9.277200010e-01 -9.277200010e-01 4.24 -8.965450051e-01 -8.965450051e-01 4.26 -8.662787709e-01 -8.662787709e-01 4.28 -8.369409440e-01 -8.369409440e-01 4.30 -8.085426010e-01 -8.085426010e-01 4.32 -7.810849223e-01 -7.810849223e-01 4.34 -7.545586377e-01 -7.545586377e-01 4.36 -7.289442200e-01 -7.289442200e-01 4.38 -7.042127054e-01 -7.042127054e-01 4.40 -6.803269653e-01 -6.803269653e-01 4.42 -6.572432376e-01 -6.572432376e-01 4.44 -6.349127450e-01 -6.349127450e-01 4.46 -6.132832639e-01 -6.132832639e-01 4.48 -5.923005534e-01 -5.923005534e-01 4.50 -5.719096020e-01 -5.719096020e-01 4.52 -5.520556854e-01 -5.520556854e-01 4.54 -5.326852574e-01 -5.326852574e-01 4.56 -5.137467139e-01 -5.137467139e-01 4.58 -4.951910799e-01 -4.951910799e-01 4.60 -4.769726649e-01 -4.769726649e-01 4.62 -4.590497308e-01 -4.590497308e-01 4.64 -4.413851975e-01 -4.413851975e-01 4.66 -4.239473971e-01 -4.239473971e-01 4.68 -4.067108663e-01 -4.067108663e-01 4.70 -3.896571407e-01 -3.896571407e-01 4.72 -3.727754961e-01 -3.727754961e-01 4.74 -3.560635598e-01 -3.560635598e-01 4.76 -3.395277045e-01 -3.395277045e-01 4.78 -3.231831364e-01 -3.231831364e-01 4.80 -3.070535227e-01 -3.070535227e-01 4.82 -2.911706144e-01 -2.911706144e-01 4.84 -2.755725660e-01 -2.755725660e-01 4.86 -2.603027747e-01 -2.603027747e-01 4.88 -2.454079548e-01 -2.454079548e-01 4.90 -2.309361421e-01 -2.309361421e-01 4.92 -2.169346751e-01 -2.169346751e-01 4.94 -2.034482898e-01 -2.034482898e-01 4.96 -1.905174410e-01 -1.905174410e-01 4.98 -1.781769229e-01 -1.781769229e-01 5.00 -1.664548212e-01 -1.664548212e-01 5.02 -1.553717973e-01 -1.553717973e-01 5.04 -1.449406835e-01 -1.449406835e-01 5.06 -1.351663619e-01 -1.351663619e-01 5.08 -1.260459031e-01 -1.260459031e-01 5.10 -1.175689451e-01 -1.175689451e-01 5.12 -1.097182919e-01 -1.097182919e-01 5.14 -1.024707059e-01 -1.024707059e-01 5.16 -9.579785838e-02 -9.579785838e-02 5.18 -8.966738791e-02 -8.966738791e-02 5.20 -8.404400618e-02 -8.404400618e-02 5.22 -7.889058907e-02 -7.889058907e-02 5.24 -7.416920213e-02 -7.416920213e-02 5.26 -6.984200720e-02 -6.984200720e-02 5.28 -6.587179274e-02 -6.587179274e-02 5.30 -6.222273861e-02 -6.222273861e-02 5.32 -5.886162424e-02 -5.886162424e-02 5.34 -5.575723566e-02 -5.575723566e-02 5.36 -5.288058070e-02 -5.288058070e-02 5.38 -5.020500950e-02 -5.020500950e-02 5.40 -4.770623138e-02 -4.770623138e-02 5.42 -4.536225942e-02 -4.536225942e-02 5.44 -4.315330877e-02 -4.315330877e-02 5.46 -4.106167012e-02 -4.106167012e-02 5.48 -3.907157462e-02 -3.907157462e-02 5.50 -3.716906275e-02 -3.716906275e-02 5.52 -3.534186560e-02 -3.534186560e-02 5.54 -3.357930412e-02 -3.357930412e-02 5.56 -3.187220886e-02 -3.187220886e-02 5.58 -3.021286030e-02 -3.021286030e-02 5.60 -2.859494737e-02 -2.859494737e-02 5.62 -2.701353950e-02 -2.701353950e-02 5.64 -2.546506556e-02 -2.546506556e-02 5.66 -2.394729119e-02 -2.394729119e-02 5.68 -2.245928474e-02 -2.245928474e-02 5.70 -2.100136180e-02 -2.100136180e-02 5.72 -1.957499889e-02 -1.957499889e-02 5.74 -1.818270903e-02 -1.818270903e-02 5.76 -1.682787518e-02 -1.682787518e-02 5.78 -1.551454089e-02 -1.551454089e-02 5.80 -1.424717170e-02 -1.424717170e-02 5.82 -1.303038845e-02 -1.303038845e-02 5.84 -1.186869222e-02 -1.186869222e-02 5.86 -1.076620215e-02 -1.076620215e-02 5.88 -9.726422920e-03 -9.726422920e-03 5.90 -8.752058379e-03 -8.752058379e-03 5.92 -7.844979165e-03 -7.844979165e-03 5.94 -7.006190026e-03 -7.006190026e-03 5.96 -6.235309328e-03 -6.235309328e-03 5.98 -5.531039560e-03 -5.531039560e-03 6.00 -4.891288232e-03 -4.891288232e-03