element(s):
['Al', 'U']
AFLOW prototype label:
A2B_cF24_227_c_b
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['7.8498']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'U']
representative atom coordinates =  [[0.125 0.125 0.125]
 [0.5   0.5   0.5  ]]
spacegroup =  227
cell =  [[7.8498, 0, 0], [0, 7.8498, 0], [0, 0, 7.8498]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:11:53     -269.520450         6.947000
BFGS:    1 16:11:53     -270.539920         6.643271
BFGS:    2 16:11:53     -271.513003         6.329053
BFGS:    3 16:11:53     -272.437310         5.992157
BFGS:    4 16:11:53     -273.309769         5.637647
BFGS:    5 16:11:53     -274.127688         5.264832
BFGS:    6 16:11:53     -274.888268         4.872994
BFGS:    7 16:11:54     -275.588598         4.461387
BFGS:    8 16:11:54     -276.225657         4.029239
BFGS:    9 16:11:54     -276.796303         3.575747
BFGS:   10 16:11:54     -277.297272         3.100078
BFGS:   11 16:11:54     -277.725174         2.601368
BFGS:   12 16:11:54     -278.080159         2.112945
BFGS:   13 16:11:54     -278.356393         1.565942
BFGS:   14 16:11:54     -278.548651         0.993113
BFGS:   15 16:11:54     -278.652985         0.393453
BFGS:   16 16:11:54     -278.671704         0.015077
BFGS:   17 16:11:54     -278.671731         0.000217
BFGS:   18 16:11:54     -278.671731         0.000000
BFGS:   19 16:11:54     -278.671731         0.000000
Minimization converged after 19 steps.
Maximum force component: 1.3728758995894915e-30 eV/Angstrom
Maximum stress component: 5.024233759260286e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'U', 'U', 'U', 'U', 'U', 'U', 'U', 'U']
basis =  [[1.25000000e-01 1.25000000e-01 1.25000000e-01]
 [8.75000000e-01 3.75000000e-01 6.25000000e-01]
 [3.75000000e-01 6.25000000e-01 8.75000000e-01]
 [6.25000000e-01 8.75000000e-01 3.75000000e-01]
 [3.75000000e-01 8.75000000e-01 6.25000000e-01]
 [8.75000000e-01 6.25000000e-01 3.75000000e-01]
 [6.25000000e-01 3.75000000e-01 8.75000000e-01]
 [1.25000000e-01 6.25000000e-01 6.25000000e-01]
 [8.75000000e-01 8.75000000e-01 1.25000000e-01]
 [3.75000000e-01 1.25000000e-01 3.75000000e-01]
 [3.75000000e-01 3.75000000e-01 1.25000000e-01]
 [8.75000000e-01 1.25000000e-01 8.75000000e-01]
 [6.25000000e-01 1.25000000e-01 6.25000000e-01]
 [1.25000000e-01 8.75000000e-01 8.75000000e-01]
 [1.25000000e-01 3.75000000e-01 3.75000000e-01]
 [6.25000000e-01 6.25000000e-01 1.25000000e-01]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.41433288e-17 5.65733152e-17]
 [5.65733152e-17 1.41433288e-17 5.00000000e-01]
 [5.65733152e-17 5.00000000e-01 5.65733152e-17]
 [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([[7.5941539992152265, -2.844558351735054e-33, 9.488470575911879e-33], [1.375465220836486e-33, 7.5941539992152265, 1.2841015298086439e-17], [2.1221943246519372e-32, 1.2841015298086456e-17, 7.5941539992152265]])
forces =  [[-3.12017250e-32  2.49613800e-31  1.09206037e-31]
 [ 1.87210350e-31  1.87210350e-31  2.02811212e-31]
 [-1.36507547e-31  1.11156145e-31  7.80043125e-32]
 [ 3.12017250e-32  2.18412075e-31  3.69314712e-49]
 [ 7.80043125e-33  2.26212506e-31  3.82504523e-49]
 [-3.12017250e-32  6.24034500e-32  3.12017250e-32]
 [ 4.75338779e-32 -1.42357870e-31 -6.24034500e-32]
 [-1.05305822e-31  2.34012937e-31  1.79409919e-31]
 [-4.92480803e-65 -3.12017250e-32 -1.56008625e-32]
 [-1.24806900e-31  3.12017250e-32  1.24806900e-31]
 [-9.36051750e-32 -4.29023719e-32  1.24806900e-31]
 [-1.56008625e-31  6.24034500e-32  1.05518489e-49]
 [-6.24034500e-32  3.12017250e-31  2.18412075e-31]
 [-2.12561751e-31 -9.94554984e-32 -6.24034500e-32]
 [-1.87210350e-31 -1.87210350e-31 -1.24806900e-31]
 [-7.21539890e-32  2.37913153e-31  1.71609487e-31]
 [-1.24806900e-31 -6.24034500e-31  6.24034500e-32]
 [-1.12326210e-30 -6.24034500e-32 -7.48841400e-31]
 [ 1.87210350e-31  5.61631050e-31 -4.99227600e-31]
 [-7.17639675e-31  1.24806900e-31  4.99227600e-31]
 [ 4.68025875e-31  5.61631050e-31 -6.86437950e-31]
 [-3.74420700e-31  1.37287590e-30 -3.74420700e-31]
 [ 2.49613800e-31 -7.48841400e-31  1.87210350e-31]
 [-4.36824150e-31  1.37287590e-30 -4.99227600e-31]]
stress =  [-5.02423376e-14 -5.02423376e-14 -5.02423376e-14  1.20993191e-29
 -1.13988329e-33  2.68639002e-49]
energy per atom =  -11.61132213441793
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0