element(s):
['Al', 'Li']
AFLOW prototype label:
AB_cF16_227_a_b
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.365']
model name:
MEAM_LAMMPS_RoyDuttaChakraborti_2021_AlLi__MO_971738391444_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Li']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  227
cell =  [[6.365, 0, 0], [0, 6.365, 0], [0, 0, 6.365]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 09:32:19      -31.632408        0.0950
BFGS:    1 09:32:19      -31.632793        0.0939
BFGS:    2 09:32:19      -31.643872        0.0540
BFGS:    3 09:32:19      -31.649046        0.0152
BFGS:    4 09:32:19      -31.649497        0.0003
BFGS:    5 09:32:20      -31.649497        0.0000
BFGS:    6 09:32:20      -31.649497        0.0000
Minimization converged after 6 steps.
Maximum force component: 2.799655931135906e-32 eV/Angstrom
Maximum stress component: 8.339714943365376e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li']
basis =  [[0.00000000e+00 1.92592998e-34 3.04253692e-34]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 4.05413061e-34]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [7.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 2.50000000e-01 2.50000000e-01]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 7.65780227e-34 5.00000000e-01]
 [1.79753461e-33 5.00000000e-01 2.40244777e-34]
 [2.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 7.50000000e-01 7.50000000e-01]
 [7.50000000e-01 2.50000000e-01 2.50000000e-01]
 [2.50000000e-01 2.50000000e-01 7.50000000e-01]]
cellpar =  Cell([[6.413225601271483, -1.2239091087967943e-35, -2.623654668033351e-34], [1.9564461253647545e-32, 6.413225601271483, -9.206807958183296e-19], [-3.6136781509597316e-34, -9.206807958183289e-19, 6.413225601271483]])
forces =  [[ 2.30559900e-32  6.58742572e-33  1.64685643e-32]
 [ 1.07045668e-32  2.79965593e-32  7.41085394e-33]
 [ 1.64685643e-32  1.64685643e-33  1.31233872e-32]
 [ 2.30559900e-32 -1.64685643e-32 -2.47028465e-33]
 [ 5.55814045e-33  5.35228340e-33  1.64685643e-33]
 [ 3.29371286e-33 -8.23428215e-34  1.23514232e-33]
 [-1.64685643e-33  1.13478701e-32 -4.11714108e-34]
 [-4.11714108e-33  1.72919925e-32 -8.23428215e-34]
 [-8.23428215e-33  1.31748514e-32 -7.82256804e-33]
 [-8.23428215e-34  4.94056929e-33 -8.23428215e-33]
 [ 4.11714108e-33 -5.76399751e-33  2.47028465e-33]
 [-4.52885518e-33 -8.23428215e-33 -2.47028465e-33]
 [-1.07045668e-32 -8.23428215e-34  1.26602088e-32]
 [-1.23514232e-32 -1.07045668e-32 -4.94056929e-33]
 [ 1.81154207e-32  4.94056929e-33  9.88113858e-33]
 [ 5.35228340e-33 -5.94412243e-33  9.88113858e-33]]
stress =  [-8.33971494e-12 -8.33971494e-12 -8.33971494e-12  4.77113971e-29
  5.65002268e-61 -1.22400198e-60]
energy per atom =  -1.9780935720668988
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0