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 14:17:46     -284.313151        5.0854
BFGS:    1 14:17:46     -285.437036        4.9263
BFGS:    2 14:17:46     -286.545358        4.7549
BFGS:    3 14:17:46     -287.635749        4.5694
BFGS:    4 14:17:46     -288.706705        4.3696
BFGS:    5 14:17:47     -289.756248        4.1545
BFGS:    6 14:17:47     -290.782420        3.9232
BFGS:    7 14:17:47     -291.783024        3.6748
BFGS:    8 14:17:47     -292.762937        3.4078
BFGS:    9 14:17:47     -293.705169        3.1217
BFGS:   10 14:17:47     -294.614306        2.8150
BFGS:   11 14:17:47     -295.487675        2.4867
BFGS:   12 14:17:47     -296.322197        2.1353
BFGS:   13 14:17:47     -297.114831        1.7596
BFGS:   14 14:17:47     -297.862068        1.3580
BFGS:   15 14:17:47     -298.560554        0.9291
BFGS:   16 14:17:47     -299.206528        0.4712
BFGS:   17 14:17:47     -299.796553        0.1784
BFGS:   18 14:17:47     -299.639704        0.0405
BFGS:   19 14:17:47     -299.593041        0.0005
BFGS:   20 14:17:47     -299.592454        0.0000
BFGS:   21 14:17:47     -299.592453        0.0000
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