# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2013--Ko-W-S-Lee-B-J--V-Pd-Y # implementation = 2013--Ko-W-S--V-Pd-Y--LAMMPS--ipr1 # composition = PdV2Y # 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 nan nan 1.02 nan nan 1.04 nan nan 1.06 nan nan 1.08 nan nan 1.10 nan nan 1.12 3.097408905e+02 3.097408905e+02 1.14 2.901991600e+02 2.901991600e+02 1.16 2.718307114e+02 2.718307114e+02 1.18 2.545664234e+02 2.545664234e+02 1.20 2.383411997e+02 2.383411997e+02 1.22 2.230937382e+02 2.230937382e+02 1.24 2.087663111e+02 2.087663111e+02 1.26 1.953045599e+02 1.953045599e+02 1.28 1.826572998e+02 1.826572998e+02 1.30 1.707763370e+02 1.707763370e+02 1.32 1.596162957e+02 1.596162957e+02 1.34 1.491344549e+02 1.491344549e+02 1.36 1.392905947e+02 1.392905947e+02 1.38 1.300468516e+02 1.300468516e+02 1.40 1.213675818e+02 1.213675818e+02 1.42 1.132192321e+02 1.132192321e+02 1.44 1.055702191e+02 1.055702191e+02 1.46 9.839081438e+01 9.839081438e+01 1.48 9.165303662e+01 9.165303662e+01 1.50 8.533055016e+01 8.533055016e+01 1.52 7.939856910e+01 7.939856910e+01 1.54 7.383376701e+01 7.383376701e+01 1.56 6.861419186e+01 6.861419186e+01 1.58 6.371918585e+01 6.371918585e+01 1.60 5.912930985e+01 5.912930985e+01 1.62 5.482627223e+01 5.482627223e+01 1.64 5.079286177e+01 5.079286177e+01 1.66 4.701288448e+01 4.701288448e+01 1.68 4.347110408e+01 4.347110408e+01 1.70 4.015318587e+01 4.015318587e+01 1.72 3.704564395e+01 3.704564395e+01 1.74 3.413579140e+01 3.413579140e+01 1.76 3.141169346e+01 3.141169346e+01 1.78 2.886212331e+01 2.886212331e+01 1.80 2.647652051e+01 2.647652051e+01 1.82 2.424495183e+01 2.424495183e+01 1.84 2.215807436e+01 2.215807436e+01 1.86 2.020710078e+01 2.020710078e+01 1.88 1.838376661e+01 1.838376661e+01 1.90 1.668029943e+01 1.668029943e+01 1.92 1.508938987e+01 1.508938987e+01 1.94 1.360416429e+01 1.360416429e+01 1.96 1.221815908e+01 1.221815908e+01 1.98 1.092529643e+01 1.092529643e+01 2.00 9.719861508e+00 9.719861508e+00 2.02 8.596481074e+00 8.596481074e+00 2.04 7.550103213e+00 7.550103213e+00 2.06 6.575978344e+00 6.575978344e+00 2.08 5.669641316e+00 5.669641316e+00 2.10 4.826894556e+00 4.826894556e+00 2.12 4.043792213e+00 4.043792213e+00 2.14 3.316625228e+00 3.316625228e+00 2.16 2.641907284e+00 2.641907284e+00 2.18 2.016361589e+00 2.016361589e+00 2.20 1.436908429e+00 1.436908429e+00 2.22 9.006534599e-01 9.006534599e-01 2.24 4.048766869e-01 4.048766869e-01 2.26 -5.297790259e-02 -5.297790259e-02 2.28 -4.753120970e-01 -4.753120970e-01 2.30 -8.643826409e-01 -8.643826409e-01 2.32 -1.222309873e+00 -1.222309873e+00 2.34 -1.551085853e+00 -1.551085853e+00 2.36 -1.852582009e+00 -1.852582009e+00 2.38 -2.128556332e+00 -2.128556332e+00 2.40 -2.380660139e+00 -2.380660139e+00 2.42 -2.610444449e+00 -2.610444449e+00 2.44 -2.819365962e+00 -2.819365962e+00 2.46 -3.008792703e+00 -3.008792703e+00 2.48 -3.180009315e+00 -3.180009315e+00 2.50 -3.334222050e+00 -3.334222050e+00 2.52 -3.472563453e+00 -3.472563453e+00 2.54 -3.596096780e+00 -3.596096780e+00 2.56 -3.705820139e+00 -3.705820139e+00 2.58 -3.802670398e+00 -3.802670398e+00 2.60 -3.887526855e+00 -3.887526855e+00 2.62 -3.961214687e+00 -3.961214687e+00 2.64 -4.024508197e+00 -4.024508197e+00 2.66 -4.078133869e+00 -4.078133869e+00 2.68 -4.122773237e+00 -4.122773237e+00 2.70 -4.159065589e+00 -4.159065589e+00 2.72 -4.187610502e+00 -4.187610502e+00 2.74 -4.208970231e+00 -4.208970231e+00 2.76 -4.223671956e+00 -4.223671956e+00 2.78 -4.232209895e+00 -4.232209895e+00 2.80 -4.235047283e+00 -4.235047283e+00 2.82 -4.232618248e+00 -4.232618248e+00 2.84 -4.225329558e+00 -4.225329558e+00 2.86 -4.213562280e+00 -4.213562280e+00 2.88 -4.197673323e+00 -4.197673323e+00 2.90 -4.177996906e+00 -4.177996906e+00 2.92 -4.154845926e+00 -4.154845926e+00 2.94 -4.128513245e+00 -4.128513245e+00 2.96 -4.099272909e+00 -4.099272909e+00 2.98 -4.067381286e+00 -4.067381286e+00 3.00 -4.033078137e+00 -4.033078137e+00 3.02 -3.996587623e+00 -3.996587623e+00 3.04 -3.958119256e+00 -3.958119256e+00 3.06 -3.917868788e+00 -3.917868788e+00 3.08 -3.876019047e+00 -3.876019047e+00 3.10 -3.832740727e+00 -3.832740727e+00 3.12 -3.788193128e+00 -3.788193128e+00 3.14 -3.742524847e+00 -3.742524847e+00 3.16 -3.695874438e+00 -3.695874438e+00 3.18 -3.648371025e+00 -3.648371025e+00 3.20 -3.600134878e+00 -3.600134878e+00 3.22 -3.551277958e+00 -3.551277958e+00 3.24 -3.501904426e+00 -3.501904426e+00 3.26 -3.452111125e+00 -3.452111125e+00 3.28 -3.401988031e+00 -3.401988031e+00 3.30 -3.351618674e+00 -3.351618674e+00 3.32 -3.301080542e+00 -3.301080542e+00 3.34 -3.250445449e+00 -3.250445449e+00 3.36 -3.199779892e+00 -3.199779892e+00 3.38 -3.149145381e+00 -3.149145381e+00 3.40 -3.098598748e+00 -3.098598748e+00 3.42 -3.048192443e+00 -3.048192443e+00 3.44 -2.997974802e+00 -2.997974802e+00 3.46 -2.947990315e+00 -2.947990315e+00 3.48 -2.898279859e+00 -2.898279859e+00 3.50 -2.848880932e+00 -2.848880932e+00 3.52 -2.799827865e+00 -2.799827865e+00 3.54 -2.751152025e+00 -2.751152025e+00 3.56 -2.702882001e+00 -2.702882001e+00 3.58 -2.655043785e+00 -2.655043785e+00 3.60 -2.607660937e+00 -2.607660937e+00 3.62 -2.560754746e+00 -2.560754746e+00 3.64 -2.514344370e+00 -2.514344370e+00 3.66 -2.468446981e+00 -2.468446981e+00 3.68 -2.423077894e+00 -2.423077894e+00 3.70 -2.378250687e+00 -2.378250687e+00 3.72 -2.333977319e+00 -2.333977319e+00 3.74 -2.290268236e+00 -2.290268236e+00 3.76 -2.247132471e+00 -2.247132471e+00 3.78 -2.204577743e+00 -2.204577743e+00 3.80 -2.162610545e+00 -2.162610545e+00 3.82 -2.121236227e+00 -2.121236227e+00 3.84 -2.080459075e+00 -2.080459075e+00 3.86 -2.040282388e+00 -2.040282388e+00 3.88 -2.000708542e+00 -2.000708542e+00 3.90 -1.961739063e+00 -1.961739063e+00 3.92 -1.923374680e+00 -1.923374680e+00 3.94 -1.885615390e+00 -1.885615390e+00 3.96 -1.848460509e+00 -1.848460509e+00 3.98 -1.811908720e+00 -1.811908720e+00 4.00 -1.775958127e+00 -1.775958127e+00 4.02 -1.740606294e+00 -1.740606294e+00 4.04 -1.705850289e+00 -1.705850289e+00 4.06 -1.671686726e+00 -1.671686726e+00 4.08 -1.638111797e+00 -1.638111797e+00 4.10 -1.605121310e+00 -1.605121310e+00 4.12 -1.572710723e+00 -1.572710723e+00 4.14 -1.540875168e+00 -1.540875168e+00 4.16 -1.509609488e+00 -1.509609488e+00 4.18 -1.478908258e+00 -1.478908258e+00 4.20 -1.448765810e+00 -1.448765810e+00 4.22 -1.419176262e+00 -1.419176262e+00 4.24 -1.390133533e+00 -1.390133533e+00 4.26 -1.361631369e+00 -1.361631369e+00 4.28 -1.333663359e+00 -1.333663359e+00 4.30 -1.306222954e+00 -1.306222954e+00 4.32 -1.279303486e+00 -1.279303486e+00 4.34 -1.252898181e+00 -1.252898181e+00 4.36 -1.227000174e+00 -1.227000174e+00 4.38 -1.201602523e+00 -1.201602523e+00 4.40 -1.176698226e+00 -1.176698226e+00 4.42 -1.152280226e+00 -1.152280226e+00 4.44 -1.128341426e+00 -1.128341426e+00 4.46 -1.104874701e+00 -1.104874701e+00 4.48 -1.081872905e+00 -1.081872905e+00 4.50 -1.059328879e+00 -1.059328879e+00 4.52 -1.037235465e+00 -1.037235465e+00 4.54 -1.015585507e+00 -1.015585507e+00 4.56 -9.943718631e-01 -9.943718631e-01 4.58 -9.735874101e-01 -9.735874101e-01 4.60 -9.532250506e-01 -9.532250506e-01 4.62 -9.332777182e-01 -9.332777182e-01 4.64 -9.137383834e-01 -9.137383834e-01 4.66 -8.946000579e-01 -8.946000579e-01 4.68 -8.758557999e-01 -8.758557999e-01 4.70 -8.574987175e-01 -8.574987175e-01 4.72 -8.395219734e-01 -8.395219734e-01 4.74 -8.219187875e-01 -8.219187875e-01 4.76 -8.046824410e-01 -8.046824410e-01 4.78 -7.878062786e-01 -7.878062786e-01 4.80 -7.712837118e-01 -7.712837118e-01 4.82 -7.551082206e-01 -7.551082206e-01 4.84 -7.392733564e-01 -7.392733564e-01 4.86 -7.237727435e-01 -7.237727435e-01 4.88 -7.086000812e-01 -7.086000812e-01 4.90 -6.937491449e-01 -6.937491449e-01 4.92 -6.792137878e-01 -6.792137878e-01 4.94 -6.649879421e-01 -6.649879421e-01 4.96 -6.510656199e-01 -6.510656199e-01 4.98 -6.374409141e-01 -6.374409141e-01 5.00 -6.241079993e-01 -6.241079993e-01 5.02 -6.110611322e-01 -6.110611322e-01 5.04 -5.982946522e-01 -5.982946522e-01 5.06 -5.858029820e-01 -5.858029820e-01 5.08 -5.735806274e-01 -5.735806274e-01 5.10 -5.616221777e-01 -5.616221777e-01 5.12 -5.499201226e-01 -5.499201226e-01 5.14 -5.383227196e-01 -5.383227196e-01 5.16 -5.261952369e-01 -5.261952369e-01 5.18 -5.128949601e-01 -5.128949601e-01 5.20 -5.006020384e-01 -5.006020384e-01 5.22 -4.902185889e-01 -4.902185889e-01 5.24 -4.800613008e-01 -4.800613008e-01 5.26 -4.701254874e-01 -4.701254874e-01 5.28 -4.604065416e-01 -4.604065416e-01 5.30 -4.508999356e-01 -4.508999356e-01 5.32 -4.416012201e-01 -4.416012201e-01 5.34 -4.325060236e-01 -4.325060236e-01 5.36 -4.236100522e-01 -4.236100522e-01 5.38 -4.149090887e-01 -4.149090887e-01 5.40 -4.063989918e-01 -4.063989918e-01 5.42 -3.980756955e-01 -3.980756955e-01 5.44 -3.899352084e-01 -3.899352084e-01 5.46 -3.819736127e-01 -3.819736127e-01 5.48 -3.741870638e-01 -3.741870638e-01 5.50 -3.665717889e-01 -3.665717889e-01 5.52 -3.591240868e-01 -3.591240868e-01 5.54 -3.518403266e-01 -3.518403266e-01 5.56 -3.447169469e-01 -3.447169469e-01 5.58 -3.377504552e-01 -3.377504552e-01 5.60 -3.309374264e-01 -3.309374264e-01 5.62 -3.242745027e-01 -3.242745027e-01 5.64 -3.177583920e-01 -3.177583920e-01 5.66 -3.113858675e-01 -3.113858675e-01 5.68 -3.051537661e-01 -3.051537661e-01 5.70 -2.990589884e-01 -2.990589884e-01 5.72 -2.930984970e-01 -2.930984970e-01 5.74 -2.872693158e-01 -2.872693158e-01 5.76 -2.815685291e-01 -2.815685291e-01 5.78 -2.759932809e-01 -2.759932809e-01 5.80 -2.705407735e-01 -2.705407735e-01 5.82 -2.652082669e-01 -2.652082669e-01 5.84 -2.599930776e-01 -2.599930776e-01 5.86 -2.548925781e-01 -2.548925781e-01 5.88 -2.499041955e-01 -2.499041955e-01 5.90 -2.450254110e-01 -2.450254110e-01 5.92 -2.401492965e-01 -2.401492965e-01 5.94 -2.337994248e-01 -2.337994248e-01 5.96 -2.177422323e-01 -2.177422323e-01 5.98 -1.527317144e-01 -1.527317144e-01 6.00 -4.521788324e-22 -4.490125316e-22