# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1 # composition = AlFeMo2 # 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 2024-04-11 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 nan nan 1.14 nan nan 1.16 nan nan 1.18 nan nan 1.20 nan nan 1.22 nan nan 1.24 nan nan 1.26 nan nan 1.28 2.092282931e+02 2.092282931e+02 1.30 1.929604949e+02 1.929604949e+02 1.32 1.779570183e+02 1.779570183e+02 1.34 1.641033413e+02 1.641033413e+02 1.36 1.512951589e+02 1.512951589e+02 1.38 1.394399620e+02 1.394399620e+02 1.40 1.284571013e+02 1.284571013e+02 1.42 1.182763379e+02 1.182763379e+02 1.44 1.088356757e+02 1.088356757e+02 1.46 1.000794983e+02 1.000794983e+02 1.48 9.195766809e+01 9.195766809e+01 1.50 8.442531301e+01 8.442531301e+01 1.52 7.744246713e+01 7.744246713e+01 1.54 7.097317487e+01 7.097317487e+01 1.56 6.498437764e+01 6.498437764e+01 1.58 5.944500861e+01 5.944500861e+01 1.60 5.432539892e+01 5.432539892e+01 1.62 4.959688383e+01 4.959688383e+01 1.64 4.523152532e+01 4.523152532e+01 1.66 4.120198262e+01 4.120198262e+01 1.68 3.748161112e+01 3.748161112e+01 1.70 3.404479173e+01 3.404479173e+01 1.72 3.086879458e+01 3.086879458e+01 1.74 2.793584865e+01 2.793584865e+01 1.76 2.522532832e+01 2.522532832e+01 1.78 2.271877629e+01 2.271877629e+01 1.80 2.040144596e+01 2.040144596e+01 1.82 1.825863712e+01 1.825863712e+01 1.84 1.627741653e+01 1.627741653e+01 1.86 1.444660719e+01 1.444660719e+01 1.88 1.275644514e+01 1.275644514e+01 1.90 1.119814925e+01 1.119814925e+01 1.92 9.763493798e+00 9.763493798e+00 1.94 8.444484842e+00 8.444484842e+00 1.96 7.233202995e+00 7.233202995e+00 1.98 6.121805245e+00 6.121805245e+00 2.00 5.102622249e+00 5.102622249e+00 2.02 4.168274727e+00 4.168274727e+00 2.04 3.311755382e+00 3.311755382e+00 2.06 2.526457717e+00 2.526457717e+00 2.08 1.806166031e+00 1.806166031e+00 2.10 1.145039997e+00 1.145039997e+00 2.12 5.376236497e-01 5.376236497e-01 2.14 -2.111289104e-02 -2.111289104e-02 2.16 -5.357141196e-01 -5.357141196e-01 2.18 -1.010189196e+00 -1.010189196e+00 2.20 -1.447994709e+00 -1.447994709e+00 2.22 -1.852060009e+00 -1.852060009e+00 2.24 -2.224849660e+00 -2.224849660e+00 2.26 -2.568447333e+00 -2.568447333e+00 2.28 -2.884643026e+00 -2.884643026e+00 2.30 -3.175009511e+00 -3.175009511e+00 2.32 -3.440961215e+00 -3.440961215e+00 2.34 -3.683794945e+00 -3.683794945e+00 2.36 -3.904716335e+00 -3.904716335e+00 2.38 -4.104856934e+00 -4.104856934e+00 2.40 -4.285286474e+00 -4.285286474e+00 2.42 -4.447023203e+00 -4.447023203e+00 2.44 -4.591039350e+00 -4.591039350e+00 2.46 -4.718040503e+00 -4.718040503e+00 2.48 -4.829012042e+00 -4.829012042e+00 2.50 -4.925107590e+00 -4.925107590e+00 2.52 -5.007422509e+00 -5.007422509e+00 2.54 -5.077004640e+00 -5.077004640e+00 2.56 -5.134862538e+00 -5.134862538e+00 2.58 -5.181969159e+00 -5.181969159e+00 2.60 -5.219253151e+00 -5.219253151e+00 2.62 -5.247344016e+00 -5.247344016e+00 2.64 -5.266478640e+00 -5.266478640e+00 2.66 -5.276875582e+00 -5.276875582e+00 2.68 -5.278743895e+00 -5.278743895e+00 2.70 -5.272265910e+00 -5.272265910e+00 2.72 -5.257592713e+00 -5.257592713e+00 2.74 -5.234850544e+00 -5.234850544e+00 2.76 -5.204154034e+00 -5.204154034e+00 2.78 -5.165622277e+00 -5.165622277e+00 2.80 -5.119628016e+00 -5.119628016e+00 2.82 -5.066992397e+00 -5.066992397e+00 2.84 -5.007668656e+00 -5.007668656e+00 2.86 -4.941652499e+00 -4.941652499e+00 2.88 -4.869066306e+00 -4.869066306e+00 2.90 -4.790161957e+00 -4.790161957e+00 2.92 -4.705324606e+00 -4.705324606e+00 2.94 -4.615064797e+00 -4.615064797e+00 2.96 -4.520012352e+00 -4.520012352e+00 2.98 -4.420896731e+00 -4.420896731e+00 3.00 -4.318496594e+00 -4.318496594e+00 3.02 -4.213602627e+00 -4.213602627e+00 3.04 -4.106961867e+00 -4.106961867e+00 3.06 -3.999174355e+00 -3.999174355e+00 3.08 -3.890736556e+00 -3.890736556e+00 3.10 -3.782047904e+00 -3.782047904e+00 3.12 -3.673398781e+00 -3.673398781e+00 3.14 -3.564970239e+00 -3.564970239e+00 3.16 -3.456844479e+00 -3.456844479e+00 3.18 -3.349023965e+00 -3.349023965e+00 3.20 -3.241455787e+00 -3.241455787e+00 3.22 -3.134057867e+00 -3.134057867e+00 3.24 -3.026744065e+00 -3.026744065e+00 3.26 -2.919446192e+00 -2.919446192e+00 3.28 -2.812131980e+00 -2.812131980e+00 3.30 -2.704818893e+00 -2.704818893e+00 3.32 -2.597584176e+00 -2.597584176e+00 3.34 -2.490571574e+00 -2.490571574e+00 3.36 -2.383994936e+00 -2.383994936e+00 3.38 -2.278138499e+00 -2.278138499e+00 3.40 -2.173353267e+00 -2.173353267e+00 3.42 -2.070048836e+00 -2.070048836e+00 3.44 -1.968680141e+00 -1.968680141e+00 3.46 -1.869729358e+00 -1.869729358e+00 3.48 -1.773683852e+00 -1.773683852e+00 3.50 -1.681011993e+00 -1.681011993e+00 3.52 -1.592139166e+00 -1.592139166e+00 3.54 -1.507426471e+00 -1.507426471e+00 3.56 -1.427154264e+00 -1.427154264e+00 3.58 -1.351511978e+00 -1.351511978e+00 3.60 -1.280594747e+00 -1.280594747e+00 3.62 -1.214406436e+00 -1.214406436e+00 3.64 -1.152867978e+00 -1.152867978e+00 3.66 -1.095829495e+00 -1.095829495e+00 3.68 -1.043084530e+00 -1.043084530e+00 3.70 -9.943848882e-01 -9.943848882e-01 3.72 -9.494548470e-01 -9.494548470e-01 3.74 -9.080038693e-01 -9.080038693e-01 3.76 -8.697373268e-01 -8.697373268e-01 3.78 -8.343650326e-01 -8.343650326e-01 3.80 -8.016076278e-01 -8.016076278e-01 3.82 -7.712010164e-01 -7.712010164e-01 3.84 -7.428991293e-01 -7.428991293e-01 3.86 -7.164753314e-01 -7.164753314e-01 3.88 -6.917227786e-01 -6.917227786e-01 3.90 -6.684540057e-01 -6.684540057e-01 3.92 -6.464999812e-01 -6.464999812e-01 3.94 -6.257088635e-01 -6.257088635e-01 3.96 -6.059445376e-01 -6.059445376e-01 3.98 -5.870851493e-01 -5.870851493e-01 4.00 -5.690216690e-01 -5.690216690e-01 4.02 -5.516566096e-01 -5.516566096e-01 4.04 -5.349029042e-01 -5.349029042e-01 4.06 -5.186828730e-01 -5.186828730e-01 4.08 -5.029276537e-01 -5.029276537e-01 4.10 -4.875771833e-01 -4.875771833e-01 4.12 -4.725795829e-01 -4.725795829e-01 4.14 -4.578911700e-01 -4.578911700e-01 4.16 -4.434767774e-01 -4.434767774e-01 4.18 -4.293100839e-01 -4.293100839e-01 4.20 -4.153739463e-01 -4.153739463e-01 4.22 -4.016605930e-01 -4.016605930e-01 4.24 -3.881715425e-01 -3.881715425e-01 4.26 -3.749171144e-01 -3.749171144e-01 4.28 -3.619154318e-01 -3.619154318e-01 4.30 -3.491908743e-01 -3.491908743e-01 4.32 -3.367720205e-01 -3.367720205e-01 4.34 -3.246892118e-01 -3.246892118e-01 4.36 -3.129719428e-01 -3.129719428e-01 4.38 -3.016463337e-01 -3.016463337e-01 4.40 -2.907329394e-01 -2.907329394e-01 4.42 -2.802451030e-01 -2.802451030e-01 4.44 -2.701879802e-01 -2.701879802e-01 4.46 -2.605582597e-01 -2.605582597e-01 4.48 -2.513445147e-01 -2.513445147e-01 4.50 -2.425280513e-01 -2.425280513e-01 4.52 -2.340840878e-01 -2.340840878e-01 4.54 -2.259830960e-01 -2.259830960e-01 4.56 -2.181921565e-01 -2.181921565e-01 4.58 -2.106762338e-01 -2.106762338e-01 4.60 -2.033992999e-01 -2.033992999e-01 4.62 -1.963250924e-01 -1.963250924e-01 4.64 -1.894180356e-01 -1.894180356e-01 4.66 -1.826445245e-01 -1.826445245e-01 4.68 -1.759726910e-01 -1.759726910e-01 4.70 -1.693729271e-01 -1.693729271e-01 4.72 -1.628183858e-01 -1.628183858e-01 4.74 -1.562854607e-01 -1.562854607e-01 4.76 -1.497542709e-01 -1.497542709e-01 4.78 -1.432091645e-01 -1.432091645e-01 4.80 -1.366392265e-01 -1.366392265e-01 4.82 -1.300388035e-01 -1.300388035e-01 4.84 -1.234079144e-01 -1.234079144e-01 4.86 -1.167526156e-01 -1.167526156e-01 4.88 -1.100851624e-01 -1.100851624e-01 4.90 -1.034239425e-01 -1.034239425e-01 4.92 -9.679311877e-02 -9.679311877e-02 4.94 -9.022194543e-02 -9.022194543e-02 4.96 -8.374375241e-02 -8.374375241e-02 4.98 -7.739462932e-02 -7.739462932e-02 5.00 -7.121187963e-02 -7.121187963e-02 5.02 -6.523235006e-02 -6.523235006e-02 5.04 -5.949076276e-02 -5.949076276e-02 5.06 -5.401818357e-02 -5.401818357e-02 5.08 -4.884074561e-02 -4.884074561e-02 5.10 -4.397872360e-02 -4.397872360e-02 5.12 -3.944601012e-02 -3.944601012e-02 5.14 -3.524998288e-02 -3.524998288e-02 5.16 -3.139175079e-02 -3.139175079e-02 5.18 -2.786669148e-02 -2.786669148e-02 5.20 -2.466522522e-02 -2.466522522e-02 5.22 -2.177372277e-02 -2.177372277e-02 5.24 -1.917544951e-02 -1.917544951e-02 5.26 -1.685145601e-02 -1.685145601e-02 5.28 -1.478108185e-02 -1.478108185e-02 5.30 -1.294365651e-02 -1.294365651e-02 5.32 -1.131860295e-02 -1.131860295e-02 5.34 -9.885732259e-03 -9.885732259e-03 5.36 -8.625653994e-03 -8.625653994e-03 5.38 -7.520062568e-03 -7.520062568e-03 5.40 -6.551919137e-03 -6.551919137e-03 5.42 -5.705548988e-03 -5.705548988e-03 5.44 -4.966673222e-03 -4.966673222e-03 5.46 -4.322391491e-03 -4.322391491e-03 5.48 -3.761129932e-03 -3.761129932e-03 5.50 -3.272565911e-03 -3.272565911e-03 5.52 -2.847538706e-03 -2.847538706e-03 5.54 -2.477953112e-03 -2.477953112e-03 5.56 -2.156681130e-03 -2.156681130e-03 5.58 -1.877465406e-03 -1.877465406e-03 5.60 -1.634826888e-03 -1.634826888e-03 5.62 -1.423978284e-03 -1.423978284e-03 5.64 -1.240744179e-03 -1.240744179e-03 5.66 -1.081488210e-03 -1.081488210e-03 5.68 -9.430473063e-04 -9.430473063e-04 5.70 -8.226727824e-04 -8.226727824e-04 5.72 -7.179779108e-04 -7.179779108e-04 5.74 -6.268915116e-04 -6.268915116e-04 5.76 -5.476170478e-04 -5.476170478e-04 5.78 -4.785967079e-04 -4.785967079e-04 5.80 -4.184799626e-04 -4.184799626e-04 5.82 -3.660961087e-04 -3.660961087e-04 5.84 -3.204303451e-04 -3.204303451e-04 5.86 -2.806029623e-04 -2.806029623e-04 5.88 -2.458512662e-04 -2.458512662e-04 5.90 -2.155138954e-04 -2.155138954e-04 5.92 -1.890172273e-04 -1.890172273e-04 5.94 -1.658636035e-04 -1.658636035e-04 5.96 -1.456211368e-04 -1.456211368e-04 5.98 -1.279148918e-04 -1.279148918e-04 6.00 -1.124192547e-04 -1.124192547e-04