element(s):
['Al']
AFLOW prototype label:
A_cF4_225_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.039']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al']
representative atom coordinates =  [[0 0 0]]
spacegroup =  225
cell =  [[4.039, 0, 0], [0, 4.039, 0], [0, 0, 4.039]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 13:54:08      -47.095901       19.5239
BFGS:    1 13:54:08      -50.101841       20.5525
BFGS:    2 13:54:08      -53.260186       21.5515
BFGS:    3 13:54:08      -56.564260       22.4896
BFGS:    4 13:54:08      -60.005925       23.3942
BFGS:    5 13:54:08      -63.568854       24.0801
BFGS:    6 13:54:08      -67.218635       24.5387
BFGS:    7 13:54:08      -70.914492       24.6768
BFGS:    8 13:54:08      -74.608730       24.4487
BFGS:    9 13:54:08      -78.217577       23.5542
BFGS:   10 13:54:08      -81.634980       21.8576
BFGS:   11 13:54:08      -84.729962       19.1728
BFGS:   12 13:54:08      -87.313741       15.0094
BFGS:   13 13:54:08      -89.140387        8.9938
BFGS:   14 13:54:08      -89.926502        0.8014
BFGS:   15 13:54:09      -89.931106        0.1788
BFGS:   16 13:54:09      -89.931342        0.0023
BFGS:   17 13:54:09      -89.931342        0.0000
BFGS:   18 13:54:09      -89.931342        0.0000
Minimization converged after 18 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.064154531672432e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Al']
basis =  [[0.  0.  0. ]
 [0.  0.5 0.5]
 [0.5 0.  0.5]
 [0.5 0.5 0. ]]
cellpar =  Cell([[3.3281259251344757, -2.3950426085876937e-32, -4.0616744200311637e-32], [-1.0620918801179559e-32, 3.3281259251344757, -2.0753452385397205e-17], [3.310852427224614e-32, -2.0753452385397254e-17, 3.3281259251344766]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-2.06415453e-11 -2.06415453e-11 -2.06415453e-11  1.78489042e-27
  1.33537181e-32 -2.19214337e-49]
energy per atom =  -22.482835549674483
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0