# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2018--Zhou-X-W-Ward-D-K-Foster-M-E--Al-Cu-H # implementation = 2018--Zhou-X-W--Al-Cu-H--LAMMPS--ipr1 # composition = AlCuH2 # 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 2022-05-24 r L2_1--AlCu2Mn--h L2_1--AlCu2Mn--h 2.00 -1.853689229e+00 -1.853689229e+00 2.02 -1.954577542e+00 -1.954577542e+00 2.04 -2.046215258e+00 -2.046215258e+00 2.06 -2.129237750e+00 -2.129237750e+00 2.08 -2.204222680e+00 -2.204222680e+00 2.10 -2.271686301e+00 -2.271686301e+00 2.12 -2.332078806e+00 -2.332078806e+00 2.14 -2.385774963e+00 -2.385774963e+00 2.16 -2.433056746e+00 -2.433056746e+00 2.18 -2.474083065e+00 -2.474083065e+00 2.20 -2.508844141e+00 -2.508844141e+00 2.22 -2.537101925e+00 -2.537101925e+00 2.24 -2.558325920e+00 -2.558325920e+00 2.26 -2.571644840e+00 -2.571644840e+00 2.28 -2.575847811e+00 -2.575847811e+00 2.30 -2.569440903e+00 -2.569440903e+00 2.32 -2.550980330e+00 -2.550980330e+00 2.34 -2.519286990e+00 -2.519286990e+00 2.36 -2.473796365e+00 -2.473796365e+00 2.38 -2.414813950e+00 -2.414813950e+00 2.40 -2.343480297e+00 -2.343480297e+00 2.42 -2.261480275e+00 -2.261480275e+00 2.44 -2.170649103e+00 -2.170649103e+00 2.46 -2.072679725e+00 -2.072679725e+00 2.48 -1.969048587e+00 -1.969048587e+00 2.50 -1.861134178e+00 -1.861134178e+00 2.52 -1.750446095e+00 -1.750446095e+00 2.54 -1.638769907e+00 -1.638769907e+00 2.56 -1.528330393e+00 -1.528330393e+00 2.58 -1.421725077e+00 -1.421725077e+00 2.60 -1.321947461e+00 -1.321947461e+00 2.62 -1.231940885e+00 -1.231940885e+00 2.64 -1.153809092e+00 -1.153809092e+00 2.66 -1.088361822e+00 -1.088361822e+00 2.68 -1.034764878e+00 -1.034764878e+00 2.70 -9.907295944e-01 -9.907295944e-01 2.72 -9.532174074e-01 -9.532174074e-01 2.74 -9.193114242e-01 -9.193114242e-01 2.76 -8.868379021e-01 -8.868379021e-01 2.78 -8.545403888e-01 -8.545403888e-01 2.80 -8.217711191e-01 -8.217711191e-01 2.82 -7.885130589e-01 -7.885130589e-01 2.84 -7.549497493e-01 -7.549497493e-01 2.86 -7.210947949e-01 -7.210947949e-01 2.88 -6.869619112e-01 -6.869619112e-01 2.90 -6.525661889e-01 -6.525661889e-01 2.92 -6.179256872e-01 -6.179256872e-01 2.94 -5.830634040e-01 -5.830634040e-01 2.96 -5.480096348e-01 -5.480096348e-01 2.98 -5.128047290e-01 -5.128047290e-01 3.00 -4.775022500e-01 -4.775022500e-01 3.02 -4.421724384e-01 -4.421724384e-01 3.04 -4.069059053e-01 -4.069059053e-01 3.06 -3.718173402e-01 -3.718173402e-01 3.08 -3.370489437e-01 -3.370489437e-01 3.10 -3.027731930e-01 -3.027731930e-01 3.12 -2.691944043e-01 -2.691944043e-01 3.14 -2.365484383e-01 -2.365484383e-01 3.16 -2.050998028e-01 -2.050998028e-01 3.18 -1.751354136e-01 -1.751354136e-01 3.20 -1.469542966e-01 -1.469542966e-01 3.22 -1.208528579e-01 -1.208528579e-01 3.24 -9.710575295e-02 -9.710575295e-02 3.26 -7.594309967e-02 -7.594309967e-02 3.28 -5.752559379e-02 -5.752559379e-02 3.30 -4.191993358e-02 -4.191993358e-02 3.32 -2.907792886e-02 -2.907792886e-02 3.34 -1.882598051e-02 -1.882598051e-02 3.36 -1.089080978e-02 -1.089080978e-02 3.38 -5.059017780e-03 -5.059017780e-03 3.40 -1.481831754e-03 -1.481831754e-03 3.42 6.149392078e-05 6.149392078e-05 3.44 0.000000000e+00 0.000000000e+00 3.46 0.000000000e+00 0.000000000e+00 3.48 0.000000000e+00 0.000000000e+00 3.50 0.000000000e+00 0.000000000e+00 3.52 0.000000000e+00 0.000000000e+00 3.54 0.000000000e+00 0.000000000e+00 3.56 0.000000000e+00 0.000000000e+00 3.58 0.000000000e+00 0.000000000e+00 3.60 0.000000000e+00 0.000000000e+00 3.62 0.000000000e+00 0.000000000e+00 3.64 0.000000000e+00 0.000000000e+00 3.66 0.000000000e+00 0.000000000e+00 3.68 0.000000000e+00 0.000000000e+00 3.70 0.000000000e+00 0.000000000e+00 3.72 0.000000000e+00 0.000000000e+00 3.74 0.000000000e+00 0.000000000e+00 3.76 0.000000000e+00 0.000000000e+00 3.78 0.000000000e+00 0.000000000e+00 3.80 0.000000000e+00 0.000000000e+00 3.82 0.000000000e+00 0.000000000e+00 3.84 0.000000000e+00 0.000000000e+00 3.86 0.000000000e+00 0.000000000e+00 3.88 0.000000000e+00 0.000000000e+00 3.90 0.000000000e+00 0.000000000e+00 3.92 0.000000000e+00 0.000000000e+00 3.94 0.000000000e+00 0.000000000e+00 3.96 0.000000000e+00 0.000000000e+00 3.98 0.000000000e+00 0.000000000e+00 4.00 0.000000000e+00 0.000000000e+00 4.02 0.000000000e+00 0.000000000e+00 4.04 0.000000000e+00 0.000000000e+00 4.06 0.000000000e+00 0.000000000e+00 4.08 0.000000000e+00 0.000000000e+00 4.10 0.000000000e+00 0.000000000e+00 4.12 0.000000000e+00 0.000000000e+00 4.14 0.000000000e+00 0.000000000e+00 4.16 0.000000000e+00 0.000000000e+00 4.18 0.000000000e+00 0.000000000e+00 4.20 0.000000000e+00 0.000000000e+00 4.22 0.000000000e+00 0.000000000e+00 4.24 0.000000000e+00 0.000000000e+00 4.26 0.000000000e+00 0.000000000e+00 4.28 0.000000000e+00 0.000000000e+00 4.30 0.000000000e+00 0.000000000e+00 4.32 0.000000000e+00 0.000000000e+00 4.34 0.000000000e+00 0.000000000e+00 4.36 0.000000000e+00 0.000000000e+00 4.38 0.000000000e+00 0.000000000e+00 4.40 0.000000000e+00 0.000000000e+00 4.42 0.000000000e+00 0.000000000e+00 4.44 0.000000000e+00 0.000000000e+00 4.46 0.000000000e+00 0.000000000e+00 4.48 0.000000000e+00 0.000000000e+00 4.50 0.000000000e+00 0.000000000e+00 4.52 0.000000000e+00 0.000000000e+00 4.54 0.000000000e+00 0.000000000e+00 4.56 0.000000000e+00 0.000000000e+00 4.58 0.000000000e+00 0.000000000e+00 4.60 0.000000000e+00 0.000000000e+00 4.62 0.000000000e+00 0.000000000e+00 4.64 0.000000000e+00 0.000000000e+00 4.66 0.000000000e+00 0.000000000e+00 4.68 0.000000000e+00 0.000000000e+00 4.70 0.000000000e+00 0.000000000e+00 4.72 0.000000000e+00 0.000000000e+00 4.74 0.000000000e+00 0.000000000e+00 4.76 0.000000000e+00 0.000000000e+00 4.78 0.000000000e+00 0.000000000e+00 4.80 0.000000000e+00 0.000000000e+00 4.82 0.000000000e+00 0.000000000e+00 4.84 0.000000000e+00 0.000000000e+00 4.86 0.000000000e+00 0.000000000e+00 4.88 0.000000000e+00 0.000000000e+00 4.90 0.000000000e+00 0.000000000e+00 4.92 0.000000000e+00 0.000000000e+00 4.94 0.000000000e+00 0.000000000e+00 4.96 0.000000000e+00 0.000000000e+00 4.98 0.000000000e+00 0.000000000e+00 5.00 0.000000000e+00 0.000000000e+00 5.02 0.000000000e+00 0.000000000e+00 5.04 0.000000000e+00 0.000000000e+00 5.06 0.000000000e+00 0.000000000e+00 5.08 0.000000000e+00 0.000000000e+00 5.10 0.000000000e+00 0.000000000e+00 5.12 0.000000000e+00 0.000000000e+00 5.14 0.000000000e+00 0.000000000e+00 5.16 0.000000000e+00 0.000000000e+00 5.18 0.000000000e+00 0.000000000e+00 5.20 0.000000000e+00 0.000000000e+00 5.22 0.000000000e+00 0.000000000e+00 5.24 0.000000000e+00 0.000000000e+00 5.26 0.000000000e+00 0.000000000e+00 5.28 0.000000000e+00 0.000000000e+00 5.30 0.000000000e+00 0.000000000e+00 5.32 0.000000000e+00 0.000000000e+00 5.34 0.000000000e+00 0.000000000e+00 5.36 0.000000000e+00 0.000000000e+00 5.38 0.000000000e+00 0.000000000e+00 5.40 0.000000000e+00 0.000000000e+00 5.42 0.000000000e+00 0.000000000e+00 5.44 0.000000000e+00 0.000000000e+00 5.46 0.000000000e+00 0.000000000e+00 5.48 0.000000000e+00 0.000000000e+00 5.50 0.000000000e+00 0.000000000e+00 5.52 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 5.56 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00