# 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 = Al2CuH # 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 -1.932361204e+00 -1.932361204e+00 2.02 -2.078444056e+00 -2.078444056e+00 2.04 -2.208649336e+00 -2.208649336e+00 2.06 -2.324648763e+00 -2.324648763e+00 2.08 -2.428048887e+00 -2.428048887e+00 2.10 -2.520490747e+00 -2.520490747e+00 2.12 -2.603063800e+00 -2.603063800e+00 2.14 -2.677021509e+00 -2.677021509e+00 2.16 -2.742930787e+00 -2.742930787e+00 2.18 -2.801221377e+00 -2.801221377e+00 2.20 -2.852376556e+00 -2.852376556e+00 2.22 -2.896628736e+00 -2.896628736e+00 2.24 -2.934193267e+00 -2.934193267e+00 2.26 -2.965261932e+00 -2.965261932e+00 2.28 -2.989998304e+00 -2.989998304e+00 2.30 -3.008501699e+00 -3.008501699e+00 2.32 -3.020931350e+00 -3.020931350e+00 2.34 -3.027406901e+00 -3.027406901e+00 2.36 -3.028029101e+00 -3.028029101e+00 2.38 -3.022935524e+00 -3.022935524e+00 2.40 -3.012324104e+00 -3.012324104e+00 2.42 -2.996478356e+00 -2.996478356e+00 2.44 -2.975791589e+00 -2.975791589e+00 2.46 -2.950786184e+00 -2.950786184e+00 2.48 -2.922123290e+00 -2.922123290e+00 2.50 -2.890598233e+00 -2.890598233e+00 2.52 -2.857116723e+00 -2.857116723e+00 2.54 -2.822646941e+00 -2.822646941e+00 2.56 -2.788145050e+00 -2.788145050e+00 2.58 -2.754341563e+00 -2.754341563e+00 2.60 -2.721933243e+00 -2.721933243e+00 2.62 -2.691412050e+00 -2.691412050e+00 2.64 -2.662660012e+00 -2.662660012e+00 2.66 -2.635205980e+00 -2.635205980e+00 2.68 -2.608304199e+00 -2.608304199e+00 2.70 -2.581084703e+00 -2.581084703e+00 2.72 -2.552732499e+00 -2.552732499e+00 2.74 -2.522635862e+00 -2.522635862e+00 2.76 -2.490454060e+00 -2.490454060e+00 2.78 -2.456092796e+00 -2.456092796e+00 2.80 -2.419502634e+00 -2.419502634e+00 2.82 -2.380921990e+00 -2.380921990e+00 2.84 -2.340587468e+00 -2.340587468e+00 2.86 -2.298552386e+00 -2.298552386e+00 2.88 -2.254873691e+00 -2.254873691e+00 2.90 -2.209612450e+00 -2.209612450e+00 2.92 -2.162834369e+00 -2.162834369e+00 2.94 -2.114610431e+00 -2.114610431e+00 2.96 -2.065017528e+00 -2.065017528e+00 2.98 -2.014139209e+00 -2.014139209e+00 3.00 -1.962066376e+00 -1.962066376e+00 3.02 -1.908898026e+00 -1.908898026e+00 3.04 -1.854741895e+00 -1.854741895e+00 3.06 -1.799715075e+00 -1.799715075e+00 3.08 -1.743944348e+00 -1.743944348e+00 3.10 -1.687566310e+00 -1.687566310e+00 3.12 -1.630727066e+00 -1.630727066e+00 3.14 -1.573581421e+00 -1.573581421e+00 3.16 -1.516291359e+00 -1.516291359e+00 3.18 -1.459023716e+00 -1.459023716e+00 3.20 -1.401946923e+00 -1.401946923e+00 3.22 -1.345226720e+00 -1.345226720e+00 3.24 -1.289020920e+00 -1.289020920e+00 3.26 -1.233473402e+00 -1.233473402e+00 3.28 -1.178707650e+00 -1.178707650e+00 3.30 -1.124820459e+00 -1.124820459e+00 3.32 -1.071876502e+00 -1.071876502e+00 3.34 -1.019904635e+00 -1.019904635e+00 3.36 -9.688967313e-01 -9.688967313e-01 3.38 -9.188097200e-01 -9.188097200e-01 3.40 -8.695711228e-01 -8.695711228e-01 3.42 -8.210878251e-01 -8.210878251e-01 3.44 -7.732575221e-01 -7.732575221e-01 3.46 -7.259815804e-01 -7.259815804e-01 3.48 -6.791780951e-01 -6.791780951e-01 3.50 -6.327937193e-01 -6.327937193e-01 3.52 -5.868132224e-01 -5.868132224e-01 3.54 -5.412660608e-01 -5.412660608e-01 3.56 -4.962297389e-01 -4.962297389e-01 3.58 -4.518300328e-01 -4.518300328e-01 3.60 -4.082385396e-01 -4.082385396e-01 3.62 -3.656582692e-01 -3.656582692e-01 3.64 -3.243493448e-01 -3.243493448e-01 3.66 -2.844914493e-01 -2.844914493e-01 3.68 -2.465006174e-01 -2.465006174e-01 3.70 -2.106628926e-01 -2.106628926e-01 3.72 -1.772566480e-01 -1.772566480e-01 3.74 -1.465377960e-01 -1.465377960e-01 3.76 -1.187228154e-01 -1.187228154e-01 3.78 -9.397050047e-02 -9.397050047e-02 3.80 -7.236374682e-02 -7.236374682e-02 3.82 -5.389321658e-02 -5.389321658e-02 3.84 -3.844615011e-02 -3.844615011e-02 3.86 -2.580976785e-02 -2.580976785e-02 3.88 -1.572232616e-02 -1.572232616e-02 3.90 -8.048881228e-03 -8.048881228e-03 3.92 -2.993900208e-03 -2.993900208e-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