# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1995--Angelo-J-E-Moody-N-R-Baskes-M-I--Ni-Al-H # implementation = 1995--Angelo-J-E--Ni-Al-H--LAMMPS--ipr1 # composition = Al2HNi # 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 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 1.454132679e+02 1.454132679e+02 1.02 1.362145820e+02 1.362145820e+02 1.04 1.276629667e+02 1.276629667e+02 1.06 1.197203276e+02 1.197203276e+02 1.08 1.123262845e+02 1.123262845e+02 1.10 1.054384784e+02 1.054384784e+02 1.12 9.902580779e+01 9.902580779e+01 1.14 9.302712864e+01 9.302712864e+01 1.16 8.740106943e+01 8.740106943e+01 1.18 8.212934788e+01 8.212934788e+01 1.20 7.717843718e+01 7.717843718e+01 1.22 7.250936342e+01 7.250936342e+01 1.24 6.809827314e+01 6.809827314e+01 1.26 6.392172792e+01 6.392172792e+01 1.28 5.994363439e+01 5.994363439e+01 1.30 5.615331782e+01 5.615331782e+01 1.32 5.254458092e+01 5.254458092e+01 1.34 4.912017451e+01 4.912017451e+01 1.36 4.587226608e+01 4.587226608e+01 1.38 4.277645593e+01 4.277645593e+01 1.40 3.981855675e+01 3.981855675e+01 1.42 3.698991276e+01 3.698991276e+01 1.44 3.428457438e+01 3.428457438e+01 1.46 3.170525995e+01 3.170525995e+01 1.48 2.924824836e+01 2.924824836e+01 1.50 2.690285631e+01 2.690285631e+01 1.52 2.466245530e+01 2.466245530e+01 1.54 2.252072581e+01 2.252072581e+01 1.56 2.046437436e+01 2.046437436e+01 1.58 1.848876129e+01 1.848876129e+01 1.60 1.659624252e+01 1.659624252e+01 1.62 1.483152454e+01 1.483152454e+01 1.64 1.322552434e+01 1.322552434e+01 1.66 1.176063415e+01 1.176063415e+01 1.68 1.042406519e+01 1.042406519e+01 1.70 9.205883552e+00 9.205883552e+00 1.72 8.096827366e+00 8.096827366e+00 1.74 7.086489193e+00 7.086489193e+00 1.76 6.164380788e+00 6.164380788e+00 1.78 5.320716483e+00 5.320716483e+00 1.80 4.547169261e+00 4.547169261e+00 1.82 3.838451655e+00 3.838451655e+00 1.84 3.191766897e+00 3.191766897e+00 1.86 2.601561095e+00 2.601561095e+00 1.88 2.061420452e+00 2.061420452e+00 1.90 1.565934629e+00 1.565934629e+00 1.92 1.109354483e+00 1.109354483e+00 1.94 6.867584091e-01 6.867584091e-01 1.96 2.958769282e-01 2.958769282e-01 1.98 -6.396071527e-02 -6.396071527e-02 2.00 -3.948531627e-01 -3.948531627e-01 2.02 -6.997391124e-01 -6.997391124e-01 2.04 -9.813739778e-01 -9.813739778e-01 2.06 -1.242307962e+00 -1.242307962e+00 2.08 -1.485028410e+00 -1.485028410e+00 2.10 -1.711956715e+00 -1.711956715e+00 2.12 -1.924888330e+00 -1.924888330e+00 2.14 -2.124083529e+00 -2.124083529e+00 2.16 -2.307557487e+00 -2.307557487e+00 2.18 -2.472463013e+00 -2.472463013e+00 2.20 -2.617940540e+00 -2.617940540e+00 2.22 -2.746612071e+00 -2.746612071e+00 2.24 -2.861960596e+00 -2.861960596e+00 2.26 -2.965563885e+00 -2.965563885e+00 2.28 -3.058020784e+00 -3.058020784e+00 2.30 -3.139778835e+00 -3.139778835e+00 2.32 -3.211160797e+00 -3.211160797e+00 2.34 -3.272380181e+00 -3.272380181e+00 2.36 -3.323542783e+00 -3.323542783e+00 2.38 -3.364600746e+00 -3.364600746e+00 2.40 -3.395284165e+00 -3.395284165e+00 2.42 -3.415307413e+00 -3.415307413e+00 2.44 -3.424987502e+00 -3.424987502e+00 2.46 -3.425606107e+00 -3.425606107e+00 2.48 -3.419263934e+00 -3.419263934e+00 2.50 -3.407722133e+00 -3.407722133e+00 2.52 -3.391778522e+00 -3.391778522e+00 2.54 -3.371956760e+00 -3.371956760e+00 2.56 -3.348759252e+00 -3.348759252e+00 2.58 -3.322677315e+00 -3.322677315e+00 2.60 -3.294178871e+00 -3.294178871e+00 2.62 -3.263702485e+00 -3.263702485e+00 2.64 -3.231646394e+00 -3.231646394e+00 2.66 -3.198358484e+00 -3.198358484e+00 2.68 -3.164135096e+00 -3.164135096e+00 2.70 -3.129222825e+00 -3.129222825e+00 2.72 -3.093827258e+00 -3.093827258e+00 2.74 -3.058091113e+00 -3.058091113e+00 2.76 -3.022022888e+00 -3.022022888e+00 2.78 -2.985471348e+00 -2.985471348e+00 2.80 -2.948324220e+00 -2.948324220e+00 2.82 -2.910687550e+00 -2.910687550e+00 2.84 -2.872735719e+00 -2.872735719e+00 2.86 -2.834512893e+00 -2.834512893e+00 2.88 -2.795823026e+00 -2.795823026e+00 2.90 -2.756589044e+00 -2.756589044e+00 2.92 -2.716899772e+00 -2.716899772e+00 2.94 -2.676790184e+00 -2.676790184e+00 2.96 -2.636303733e+00 -2.636303733e+00 2.98 -2.595491311e+00 -2.595491311e+00 3.00 -2.554405706e+00 -2.554405706e+00 3.02 -2.513106584e+00 -2.513106584e+00 3.04 -2.471668300e+00 -2.471668300e+00 3.06 -2.430183757e+00 -2.430183757e+00 3.08 -2.388760945e+00 -2.388760945e+00 3.10 -2.347506870e+00 -2.347506870e+00 3.12 -2.306506615e+00 -2.306506615e+00 3.14 -2.265821930e+00 -2.265821930e+00 3.16 -2.225505600e+00 -2.225505600e+00 3.18 -2.185616199e+00 -2.185616199e+00 3.20 -2.146217820e+00 -2.146217820e+00 3.22 -2.107381831e+00 -2.107381831e+00 3.24 -2.069187219e+00 -2.069187219e+00 3.26 -2.031719133e+00 -2.031719133e+00 3.28 -1.995064069e+00 -1.995064069e+00 3.30 -1.959299789e+00 -1.959299789e+00 3.32 -1.924476047e+00 -1.924476047e+00 3.34 -1.890580626e+00 -1.890580626e+00 3.36 -1.857498535e+00 -1.857498535e+00 3.38 -1.824974853e+00 -1.824974853e+00 3.40 -1.792644283e+00 -1.792644283e+00 3.42 -1.760181073e+00 -1.760181073e+00 3.44 -1.727444423e+00 -1.727444423e+00 3.46 -1.694411564e+00 -1.694411564e+00 3.48 -1.661100297e+00 -1.661100297e+00 3.50 -1.627574709e+00 -1.627574709e+00 3.52 -1.593945645e+00 -1.593945645e+00 3.54 -1.560352718e+00 -1.560352718e+00 3.56 -1.526894073e+00 -1.526894073e+00 3.58 -1.493607776e+00 -1.493607776e+00 3.60 -1.460504970e+00 -1.460504970e+00 3.62 -1.427593317e+00 -1.427593317e+00 3.64 -1.394883535e+00 -1.394883535e+00 3.66 -1.362387004e+00 -1.362387004e+00 3.68 -1.330116196e+00 -1.330116196e+00 3.70 -1.298085134e+00 -1.298085134e+00 3.72 -1.266309190e+00 -1.266309190e+00 3.74 -1.234805100e+00 -1.234805100e+00 3.76 -1.203591458e+00 -1.203591458e+00 3.78 -1.172688539e+00 -1.172688539e+00 3.80 -1.142118661e+00 -1.142118661e+00 3.82 -1.111906102e+00 -1.111906102e+00 3.84 -1.082077441e+00 -1.082077441e+00 3.86 -1.052661361e+00 -1.052661361e+00 3.88 -1.023688756e+00 -1.023688756e+00 3.90 -9.951922702e-01 -9.951922702e-01 3.92 -9.672063596e-01 -9.672063596e-01 3.94 -9.397654161e-01 -9.397654161e-01 3.96 -9.129036889e-01 -9.129036889e-01 3.98 -8.866512497e-01 -8.866512497e-01 4.00 -8.610326219e-01 -8.610326219e-01 4.02 -8.360614065e-01 -8.360614065e-01 4.04 -8.117349781e-01 -8.117349781e-01 4.06 -7.880325111e-01 -7.880325111e-01 4.08 -7.649113759e-01 -7.649113759e-01 4.10 -7.423149326e-01 -7.423149326e-01 4.12 -7.201925084e-01 -7.201925084e-01 4.14 -6.985130391e-01 -6.985130391e-01 4.16 -6.772675617e-01 -6.772675617e-01 4.18 -6.564587038e-01 -6.564587038e-01 4.20 -6.360901431e-01 -6.360901431e-01 4.22 -6.161635947e-01 -6.161635947e-01 4.24 -5.965935032e-01 -5.965935032e-01 4.26 -5.772489889e-01 -5.772489889e-01 4.28 -5.584290491e-01 -5.584290491e-01 4.30 -5.403876293e-01 -5.403876293e-01 4.32 -5.233139182e-01 -5.233139182e-01 4.34 -5.074387939e-01 -5.074387939e-01 4.36 -4.921272636e-01 -4.921272636e-01 4.38 -4.766280817e-01 -4.766280817e-01 4.40 -4.604204592e-01 -4.604204592e-01 4.42 -4.431835992e-01 -4.431835992e-01 4.44 -4.247703194e-01 -4.247703194e-01 4.46 -4.053550387e-01 -4.053550387e-01 4.48 -3.855406544e-01 -3.855406544e-01 4.50 -3.658401367e-01 -3.658401367e-01 4.52 -3.466333390e-01 -3.466333390e-01 4.54 -3.281900277e-01 -3.281900277e-01 4.56 -3.106878869e-01 -3.106878869e-01 4.58 -2.942308266e-01 -2.942308266e-01 4.60 -2.788557830e-01 -2.788557830e-01 4.62 -2.645033973e-01 -2.645033973e-01 4.64 -2.511762870e-01 -2.511762870e-01 4.66 -2.388646538e-01 -2.388646538e-01 4.68 -2.275292197e-01 -2.275292197e-01 4.70 -2.171043465e-01 -2.171043465e-01 4.72 -2.075014281e-01 -2.075014281e-01 4.74 -1.986187955e-01 -1.986187955e-01 4.76 -1.904008717e-01 -1.904008717e-01 4.78 -1.826672349e-01 -1.826672349e-01 4.80 -1.752169404e-01 -1.752169404e-01 4.82 -1.678902507e-01 -1.678902507e-01 4.84 -1.605789518e-01 -1.605789518e-01 4.86 -1.532237502e-01 -1.532237502e-01 4.88 -1.457925974e-01 -1.457925974e-01 4.90 -1.382673917e-01 -1.382673917e-01 4.92 -1.306407009e-01 -1.306407009e-01 4.94 -1.229140021e-01 -1.229140021e-01 4.96 -1.150836818e-01 -1.150836818e-01 4.98 -1.071905132e-01 -1.071905132e-01 5.00 -9.931431544e-02 -9.931431544e-02 5.02 -9.152246920e-02 -9.152246920e-02 5.04 -8.387153029e-02 -8.387153029e-02 5.06 -7.640893208e-02 -7.640893208e-02 5.08 -6.917449149e-02 -6.917449149e-02 5.10 -6.220173906e-02 -6.220173906e-02 5.12 -5.551908804e-02 -5.551908804e-02 5.14 -4.915085528e-02 -4.915085528e-02 5.16 -4.311813969e-02 -4.311813969e-02 5.18 -3.743956048e-02 -3.743956048e-02 5.20 -3.213184778e-02 -3.213184778e-02 5.22 -2.721027073e-02 -2.721027073e-02 5.24 -2.268887489e-02 -2.268887489e-02 5.26 -1.858048711e-02 -1.858048711e-02 5.28 -1.489642782e-02 -1.489642782e-02 5.30 -1.164585389e-02 -1.164585389e-02 5.32 -8.834638929e-03 -8.834638929e-03 5.34 -6.463702767e-03 -6.463702767e-03 5.36 -4.526734719e-03 -4.526734719e-03 5.38 -3.007384647e-03 -3.007384647e-03 5.40 -1.876246265e-03 -1.876246265e-03 5.42 -1.088471232e-03 -1.088471232e-03 5.44 -5.835587210e-04 -5.835587210e-04 5.46 -2.895703003e-04 -2.895703003e-04 5.48 -1.334836983e-04 -1.334836983e-04 5.50 -5.561889517e-05 -5.561889517e-05 5.52 -1.898421997e-05 -1.898421997e-05 5.54 -4.503906976e-06 -4.503906976e-06 5.56 -5.741208634e-07 -5.741208634e-07 5.58 -2.302600337e-08 -2.302600337e-08 5.60 -7.843811425e-11 -7.843811425e-11 5.62 -2.751093115e-14 -2.751093115e-14 5.64 3.944535725e-23 3.944535725e-23 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