element(s):
['Al', 'O']
AFLOW prototype label:
AB_cF8_225_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:
['4.475']
model name:
Sim_LAMMPS_Buckingham_SunStirnerHagston_2006_AlO__SM_466046725502_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'O']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  225
cell =  [[4.475, 0, 0], [0, 4.475, 0], [0, 0, 4.475]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:24:10     -284.313151         5.085420
BFGS:    1 16:24:11     -285.437036         4.926347
BFGS:    2 16:24:11     -286.545358         4.754854
BFGS:    3 16:24:11     -287.635749         4.569443
BFGS:    4 16:24:12     -288.706705         4.369613
BFGS:    5 16:24:12     -289.756248         4.154508
BFGS:    6 16:24:12     -290.782420         3.923227
BFGS:    7 16:24:12     -291.783024         3.674808
BFGS:    8 16:24:13     -292.762937         3.407841
BFGS:    9 16:24:13     -293.705169         3.121683
BFGS:   10 16:24:13     -294.614306         2.815026
BFGS:   11 16:24:13     -295.487675         2.486687
BFGS:   12 16:24:14     -296.322197         2.135336
BFGS:   13 16:24:14     -297.114831         1.759626
BFGS:   14 16:24:14     -297.862068         1.358043
BFGS:   15 16:24:15     -298.560554         0.929121
BFGS:   16 16:24:15     -299.206528         0.471209
BFGS:   17 16:24:15     -299.796553         0.178410
BFGS:   18 16:24:15     -299.639704         0.040455
BFGS:   19 16:24:16     -299.593041         0.000502
BFGS:   20 16:24:16     -299.592454         0.000000
BFGS:   21 16:24:16     -299.592453         0.000000
Minimization converged after 21 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.552034681433249e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Al', 'O', 'O', 'O', 'O']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [1.70651929e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.53709593e-33 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 0.00000000e+00]
 [8.53259644e-50 5.00000000e-01 0.00000000e+00]
 [0.00000000e+00 1.53709593e-33 5.00000000e-01]]
cellpar =  Cell([[4.00949330239843, 2.4387088317235655e-32, -4.4226149219445245e-33], [5.97515821323583e-33, 4.00949330239843, 6.316491606650966e-17], [-5.634306525218237e-32, 6.31649160665097e-17, 4.00949330239843]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 2.55203468e-10  2.55203468e-10  2.55203468e-10 -1.02033117e-25
  5.11152178e-34 -1.02332022e-50]
energy per atom =  -37.449056669646495
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0