# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2022--Guo-J-Ward-L-Babuji-Y-et-al--Li-K-Cl # implementation = 2022--Guo-J--Li-K-Cl--LAMMPS--ipr1 # composition = 172193 # 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 2022-12-14 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 8.988643529e+01 nan 1.22 8.460046051e+01 nan 1.24 7.972822406e+01 nan 1.26 7.517654415e+01 nan 1.28 7.083570449e+01 nan 1.30 6.668083910e+01 nan 1.32 nan nan 1.34 5.898354308e+01 nan 1.36 5.538761471e+01 nan 1.38 5.196905500e+01 nan 1.40 4.873557593e+01 nan 1.42 4.568758689e+01 nan 1.44 4.279944625e+01 nan 1.46 4.007243519e+01 nan 1.48 3.751316231e+01 nan 1.50 3.507558045e+01 nan 1.52 3.272906771e+01 nan 1.54 3.046289505e+01 nan 1.56 2.826162609e+01 nan 1.58 2.609584616e+01 2.609584616e+01 1.60 2.397212886e+01 2.397212886e+01 1.62 2.189465498e+01 2.189465498e+01 1.64 1.987389173e+01 1.987389173e+01 1.66 1.794396203e+01 1.794396203e+01 1.68 1.613333994e+01 1.613333994e+01 1.70 1.445136974e+01 1.445136974e+01 1.72 1.289700415e+01 1.289700415e+01 1.74 1.142308839e+01 1.142308839e+01 1.76 1.002592297e+01 1.002592297e+01 1.78 8.710710910e+00 8.710710910e+00 1.80 7.469656409e+00 7.469656409e+00 1.82 6.295938410e+00 6.295938410e+00 1.84 5.186182528e+00 5.186182528e+00 1.86 4.137685251e+00 4.137685251e+00 1.88 3.150877726e+00 3.150877726e+00 1.90 2.230401772e+00 2.230401772e+00 1.92 1.385143246e+00 1.385143246e+00 1.94 6.237771615e-01 6.237771615e-01 1.96 -5.675943048e-02 -5.675943049e-02 1.98 -6.650933087e-01 -6.650933087e-01 2.00 -1.225980113e+00 -1.225980113e+00 2.02 -1.757508203e+00 -1.757508203e+00 2.04 -2.270559684e+00 -2.270559684e+00 2.06 -2.768769616e+00 -2.768769616e+00 2.08 -3.250785169e+00 -3.250785169e+00 2.10 -3.713789147e+00 -3.713789147e+00 2.12 -4.157162574e+00 -4.157162574e+00 2.14 -4.582594647e+00 -4.582594647e+00 2.16 -4.992006171e+00 -4.992006171e+00 2.18 -5.389610488e+00 -5.389610488e+00 2.20 -5.778281906e+00 -5.778281906e+00 2.22 -6.156718932e+00 -6.156718932e+00 2.24 -6.518427402e+00 -6.518427402e+00 2.26 -6.852804651e+00 -6.852804651e+00 2.28 -7.147663824e+00 -7.147663824e+00 2.30 -7.393486777e+00 -7.393486777e+00 2.32 -7.599765983e+00 -7.599765983e+00 2.34 -7.768807843e+00 -7.768807843e+00 2.36 -7.905550526e+00 -7.905550526e+00 2.38 -8.018922286e+00 -8.018922286e+00 2.40 -8.110689998e+00 -8.110689998e+00 2.42 -8.181872087e+00 -8.181872087e+00 2.44 -8.233824978e+00 -8.233824978e+00 2.46 -8.268225048e+00 -8.268225048e+00 2.48 -8.288134976e+00 -8.288134976e+00 2.50 -8.297260783e+00 -8.297260783e+00 2.52 -8.298705837e+00 -8.298705837e+00 2.54 -8.295745642e+00 -8.295745642e+00 2.56 -8.291640943e+00 -8.291640943e+00 2.58 -8.288305009e+00 -8.288305009e+00 2.60 -8.282792642e+00 -8.282792642e+00 2.62 -8.280183624e+00 -8.280183624e+00 2.64 -8.284969576e+00 -8.284969576e+00 2.66 -8.298852461e+00 -8.298852461e+00 2.68 -8.320551820e+00 -8.320551820e+00 2.70 -8.346442158e+00 -8.346442158e+00 2.72 -8.371835952e+00 -8.371835952e+00 2.74 -8.392402353e+00 -8.392402353e+00 2.76 -8.405182465e+00 -8.405182465e+00 2.78 -8.408942599e+00 -8.408942599e+00 2.80 -8.403961525e+00 -8.403961525e+00 2.82 -8.391539063e+00 -8.391539063e+00 2.84 -8.373493515e+00 -8.373493515e+00 2.86 -8.351788278e+00 -8.351788278e+00 2.88 -8.328307335e+00 -8.328307335e+00 2.90 -8.304733986e+00 -8.304733986e+00 2.92 -8.282472296e+00 -8.282472296e+00 2.94 -8.262565987e+00 -8.262565987e+00 2.96 -8.245600438e+00 -8.245600438e+00 2.98 -8.232097693e+00 -8.232097693e+00 3.00 -8.222202885e+00 -8.222202885e+00 3.02 -8.215435315e+00 -8.215435315e+00 3.04 -8.211718386e+00 -8.211718386e+00 3.06 -8.211040075e+00 -8.211040075e+00 3.08 -8.214028467e+00 -8.214028467e+00 3.10 -8.221881460e+00 -8.221881460e+00 3.12 -8.228999250e+00 -8.228999250e+00 3.14 -8.232853907e+00 -8.232853907e+00 3.16 -8.232512836e+00 -8.232512836e+00 3.18 -8.227393455e+00 -8.227393455e+00 3.20 -8.217369675e+00 -8.217369675e+00 3.22 -8.202779538e+00 -8.202779538e+00 3.24 -8.184341343e+00 -8.184341343e+00 3.26 -8.163012029e+00 -8.163012029e+00 3.28 -8.139830771e+00 -8.139830771e+00 3.30 -8.115783486e+00 -8.115783486e+00 3.32 -8.091708077e+00 -8.091708077e+00 3.34 -8.068244658e+00 -8.068244658e+00 3.36 -8.045824699e+00 -8.045824699e+00 3.38 -8.024688775e+00 -8.024688775e+00 3.40 -8.004922573e+00 -8.004922573e+00 3.42 -7.986502472e+00 -7.986502472e+00 3.44 -7.969343732e+00 -7.969343732e+00 3.46 -7.953345209e+00 -7.953345209e+00 3.48 -7.938424819e+00 -7.938424819e+00 3.50 -7.924540453e+00 -7.924540453e+00 3.52 -7.911692574e+00 -7.911692574e+00 3.54 -7.899907805e+00 -7.899907805e+00 3.56 -7.889206858e+00 -7.889206858e+00 3.58 -7.879564097e+00 -7.879564097e+00 3.60 -7.870868414e+00 -7.870868414e+00 3.62 -7.862895322e+00 -7.862895322e+00 3.64 -7.855002394e+00 -7.855002394e+00 3.66 -7.846129040e+00 -7.846129040e+00 3.68 -7.836043850e+00 -7.836043850e+00 3.70 -7.824569069e+00 -7.824569069e+00 3.72 -7.811546130e+00 -7.811546130e+00 3.74 -7.796840975e+00 -7.796840975e+00 3.76 -7.780348604e+00 -7.780348604e+00 3.78 -7.761996537e+00 -7.761996537e+00 3.80 -7.741746933e+00 -7.741746933e+00 3.82 -7.719597222e+00 -7.719597222e+00 3.84 -7.695579239e+00 -7.695579239e+00 3.86 -7.669756935e+00 -7.669756935e+00 3.88 -7.642222896e+00 -7.642222896e+00 3.90 -7.613093928e+00 -7.613093928e+00 3.92 -7.582506033e+00 -7.582506033e+00 3.94 -7.550609117e+00 -7.550609117e+00 3.96 -7.517561703e+00 -7.517561703e+00 3.98 -7.483525923e+00 -7.483525923e+00 4.00 -7.448662970e+00 -7.448662970e+00 4.02 -7.413129130e+00 -7.413129130e+00 4.04 -7.377072457e+00 -7.377072457e+00 4.06 -7.340630108e+00 -7.340630108e+00 4.08 -7.303926292e+00 -7.303926292e+00 4.10 -7.267070798e+00 -7.267070798e+00 4.12 -7.230158027e+00 -7.230158027e+00 4.14 -7.193266453e+00 -7.193266453e+00 4.16 -7.156458474e+00 -7.156458474e+00 4.18 -7.119780601e+00 -7.119780601e+00 4.20 -7.083263955e+00 -7.083263955e+00 4.22 -7.046925063e+00 -7.046925063e+00 4.24 -7.010766957e+00 -7.010766957e+00 4.26 -6.974780575e+00 -6.974780575e+00 4.28 -6.938923768e+00 -6.938923768e+00 4.30 -6.903060560e+00 -6.903060560e+00 4.32 -6.867051707e+00 -6.867051707e+00 4.34 -6.830787514e+00 -6.830787514e+00 4.36 -6.794192954e+00 -6.794192954e+00 4.38 -6.757231380e+00 -6.757231380e+00 4.40 -6.719906579e+00 -6.719906579e+00 4.42 -6.682262868e+00 -6.682262868e+00 4.44 -6.644383010e+00 -6.644383010e+00 4.46 -6.606383851e+00 -6.606383851e+00 4.48 -6.568409812e+00 -6.568409812e+00 4.50 -6.530624574e+00 -6.530624574e+00 4.52 -6.493201570e+00 -6.493201570e+00 4.54 -6.456313988e+00 -6.456313988e+00 4.56 -6.420125066e+00 -6.420125066e+00 4.58 -6.384779374e+00 -6.384779374e+00 4.60 -6.350395635e+00 -6.350395635e+00 4.62 -6.317061414e+00 -6.317061414e+00 4.64 -6.284829832e+00 -6.284829832e+00 4.66 -6.253718284e+00 -6.253718284e+00 4.68 -6.223709032e+00 -6.223709032e+00 4.70 -6.194751465e+00 -6.194751465e+00 4.72 -6.166765826e+00 -6.166765826e+00 4.74 -6.139648160e+00 -6.139648160e+00 4.76 -6.113276229e+00 -6.113276229e+00 4.78 -6.087516154e+00 -6.087516154e+00 4.80 -6.062229443e+00 -6.062229443e+00 4.82 -6.037280052e+00 -6.037280052e+00 4.84 -6.012541066e+00 -6.012541066e+00 4.86 -5.987900552e+00 -5.987900552e+00 4.88 -5.963266161e+00 -5.963266161e+00 4.90 -5.938568119e+00 -5.938568119e+00 4.92 -5.913760372e+00 -5.913760372e+00 4.94 -5.888123782e+00 -5.888123781e+00 4.96 -5.860947380e+00 -5.860947380e+00 4.98 -5.832235308e+00 -5.832235308e+00 5.00 -5.802019809e+00 -5.802019809e+00 5.02 -5.770361066e+00 -5.770361066e+00 5.04 -5.737345473e+00 -5.737345473e+00 5.06 -5.703082470e+00 -5.703082470e+00 5.08 -5.667700199e+00 -5.667700199e+00 5.10 -5.631340396e+00 -5.631340396e+00 5.12 -5.594152967e+00 -5.594152967e+00 5.14 -5.556294754e+00 -5.556294754e+00 5.16 -5.517996425e+00 -5.517996425e+00 5.18 -5.479552799e+00 -5.479552799e+00 5.20 -5.441257421e+00 -5.441257421e+00 5.22 -5.403390314e+00 -5.403390314e+00 5.24 -5.366208959e+00 -5.366208959e+00 5.26 -5.329941569e+00 -5.329941569e+00 5.28 -5.294782981e+00 -5.294782981e+00 5.30 -5.260893164e+00 -5.260893164e+00 5.32 -5.228398105e+00 -5.228398105e+00 5.34 -5.197392597e+00 -5.197392597e+00 5.36 -5.167944404e+00 -5.167944404e+00 5.38 -5.140099155e+00 -5.140099155e+00 5.40 -5.113885401e+00 -5.113885401e+00 5.42 -5.089319307e+00 -5.089319307e+00 5.44 -5.066408536e+00 -5.066408536e+00 5.46 -5.045155039e+00 -5.045155039e+00 5.48 -5.025556564e+00 -5.025556564e+00 5.50 -5.007606855e+00 -5.007606855e+00 5.52 -4.991294658e+00 -4.991294658e+00 5.54 -4.976601764e+00 -4.976601764e+00 5.56 -4.963500432e+00 -4.963500432e+00 5.58 -4.951950623e+00 -4.951950623e+00 5.60 -4.941897474e+00 -4.941897474e+00 5.62 -4.933269446e+00 -4.933269446e+00 5.64 -4.925977456e+00 -4.925977456e+00 5.66 -4.919915248e+00 -4.919915248e+00 5.68 -4.914961048e+00 -4.914961048e+00 5.70 -4.910980489e+00 -4.910980489e+00 5.72 -4.907830648e+00 -4.907830648e+00 5.74 -4.905365008e+00 -4.905365008e+00 5.76 -4.903439149e+00 -4.903439149e+00 5.78 -4.901917025e+00 -4.901917025e+00 5.80 -4.900677745e+00 -4.900677745e+00 5.82 -4.899622863e+00 -4.899622863e+00 5.84 -4.898684230e+00 -4.898684230e+00 5.86 -4.897832530e+00 -4.897832530e+00 5.88 -4.897086597e+00 -4.897086597e+00 5.90 -4.896523614e+00 -4.896523614e+00 5.92 -4.896290215e+00 -4.896290215e+00 5.94 -4.896290215e+00 -4.896290215e+00 5.96 -4.896290215e+00 -4.896290215e+00 5.98 -4.896290215e+00 -4.896290215e+00 6.00 -4.896290215e+00 -4.896290215e+00