# 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 = AlCu2H # 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 -1.121837768e+00 -1.121837768e+00 2.02 -1.233251127e+00 -1.233251127e+00 2.04 -1.331914192e+00 -1.331914192e+00 2.06 -1.418962008e+00 -1.418962008e+00 2.08 -1.495333499e+00 -1.495333499e+00 2.10 -1.562017023e+00 -1.562017023e+00 2.12 -1.619822088e+00 -1.619822088e+00 2.14 -1.669320959e+00 -1.669320959e+00 2.16 -1.711267279e+00 -1.711267279e+00 2.18 -1.746646552e+00 -1.746646552e+00 2.20 -1.776695447e+00 -1.776695447e+00 2.22 -1.802865328e+00 -1.802865328e+00 2.24 -1.826704217e+00 -1.826704217e+00 2.26 -1.849646392e+00 -1.849646392e+00 2.28 -1.872733409e+00 -1.872733409e+00 2.30 -1.896277119e+00 -1.896277119e+00 2.32 -1.919976651e+00 -1.919976651e+00 2.34 -1.942828134e+00 -1.942828134e+00 2.36 -1.963496376e+00 -1.963496376e+00 2.38 -1.980809102e+00 -1.980809102e+00 2.40 -1.994029617e+00 -1.994029617e+00 2.42 -2.002855246e+00 -2.002855246e+00 2.44 -2.007321330e+00 -2.007321330e+00 2.46 -2.007926313e+00 -2.007926313e+00 2.48 -2.004991803e+00 -2.004991803e+00 2.50 -1.998778776e+00 -1.998778776e+00 2.52 -1.989736771e+00 -1.989736771e+00 2.54 -1.978253374e+00 -1.978253374e+00 2.56 -1.964501058e+00 -1.964501058e+00 2.58 -1.948587344e+00 -1.948587344e+00 2.60 -1.930701331e+00 -1.930701331e+00 2.62 -1.911079508e+00 -1.911079508e+00 2.64 -1.889837476e+00 -1.889837476e+00 2.66 -1.867098957e+00 -1.867098957e+00 2.68 -1.842995387e+00 -1.842995387e+00 2.70 -1.817665403e+00 -1.817665403e+00 2.72 -1.791253595e+00 -1.791253595e+00 2.74 -1.763908792e+00 -1.763908792e+00 2.76 -1.735781770e+00 -1.735781770e+00 2.78 -1.707022287e+00 -1.707022287e+00 2.80 -1.677775561e+00 -1.677775561e+00 2.82 -1.648178260e+00 -1.648178260e+00 2.84 -1.618354195e+00 -1.618354195e+00 2.86 -1.588410007e+00 -1.588410007e+00 2.88 -1.558431150e+00 -1.558431150e+00 2.90 -1.528478641e+00 -1.528478641e+00 2.92 -1.498586927e+00 -1.498586927e+00 2.94 -1.468763280e+00 -1.468763280e+00 2.96 -1.438988977e+00 -1.438988977e+00 2.98 -1.409222359e+00 -1.409222359e+00 3.00 -1.379403604e+00 -1.379403604e+00 3.02 -1.349460856e+00 -1.349460856e+00 3.04 -1.319317089e+00 -1.319317089e+00 3.06 -1.288897015e+00 -1.288897015e+00 3.08 -1.258133184e+00 -1.258133184e+00 3.10 -1.226970692e+00 -1.226970692e+00 3.12 -1.195369968e+00 -1.195369968e+00 3.14 -1.163307576e+00 -1.163307576e+00 3.16 -1.130775118e+00 -1.130775118e+00 3.18 -1.097776714e+00 -1.097776714e+00 3.20 -1.064325696e+00 -1.064325696e+00 3.22 -1.030439393e+00 -1.030439393e+00 3.24 -9.961329333e-01 -9.961329333e-01 3.26 -9.614088574e-01 -9.614088574e-01 3.28 -9.263338080e-01 -9.263338080e-01 3.30 -8.909210383e-01 -8.909210383e-01 3.32 -8.551838418e-01 -8.551838418e-01 3.34 -8.191363159e-01 -8.191363159e-01 3.36 -7.827942689e-01 -7.827942689e-01 3.38 -7.461763434e-01 -7.461763434e-01 3.40 -7.093053457e-01 -7.093053457e-01 3.42 -6.722097537e-01 -6.722097537e-01 3.44 -6.349254885e-01 -6.349254885e-01 3.46 -5.974978393e-01 -5.974978393e-01 3.48 -5.599836011e-01 -5.599836011e-01 3.50 -5.224533032e-01 -5.224533032e-01 3.52 -4.849934892e-01 -4.849934892e-01 3.54 -4.477089124e-01 -4.477089124e-01 3.56 -4.107245036e-01 -4.107245036e-01 3.58 -3.741868517e-01 -3.741868517e-01 3.60 -3.382649957e-01 -3.382649957e-01 3.62 -3.031501853e-01 -3.031501853e-01 3.64 -2.690542752e-01 -2.690542752e-01 3.66 -2.362063909e-01 -2.362063909e-01 3.68 -2.048475587e-01 -2.048475587e-01 3.70 -1.752230417e-01 -1.752230417e-01 3.72 -1.475722978e-01 -1.475722978e-01 3.74 -1.221166965e-01 -1.221166965e-01 3.76 -9.904542931e-02 -9.904542931e-02 3.78 -7.850039334e-02 -7.850039334e-02 3.80 -6.056115224e-02 -6.056115224e-02 3.82 -4.523137567e-02 -4.523137567e-02 3.84 -3.242867439e-02 -3.242867439e-02 3.86 -2.198226259e-02 -2.198226259e-02 3.88 -1.365536770e-02 -1.365536770e-02 3.90 -7.249907027e-03 -7.249907027e-03 3.92 -2.834877127e-03 -2.834877127e-03 3.94 1.404637249e-04 1.404637249e-04 3.96 2.896654126e-05 2.896654126e-05 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