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 19:15:10     -284.313151         5.085420
BFGS:    1 19:15:10     -285.437036         4.926347
BFGS:    2 19:15:10     -286.545358         4.754854
BFGS:    3 19:15:10     -287.635749         4.569443
BFGS:    4 19:15:10     -288.706705         4.369613
BFGS:    5 19:15:10     -289.756248         4.154508
BFGS:    6 19:15:10     -290.782420         3.923227
BFGS:    7 19:15:10     -291.783024         3.674808
BFGS:    8 19:15:10     -292.762937         3.407841
BFGS:    9 19:15:10     -293.705169         3.121683
BFGS:   10 19:15:10     -294.614306         2.815026
BFGS:   11 19:15:10     -295.487675         2.486687
BFGS:   12 19:15:10     -296.322197         2.135336
BFGS:   13 19:15:10     -297.114831         1.759626
BFGS:   14 19:15:10     -297.862068         1.358043
BFGS:   15 19:15:10     -298.560554         0.929121
BFGS:   16 19:15:11     -299.206528         0.471209
BFGS:   17 19:15:11     -299.796553         0.178410
BFGS:   18 19:15:11     -299.639704         0.040455
BFGS:   19 19:15:11     -299.593041         0.000502
BFGS:   20 19:15:11     -299.592454         0.000000
BFGS:   21 19:15:11     -299.592453         0.000000
Minimization converged after 21 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.545300867901908e-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 0.00000000e+00 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]
 [1.70651929e-49 5.00000000e-01 0.00000000e+00]
 [2.87286568e-66 9.60684954e-34 5.00000000e-01]]
cellpar =  Cell([[4.009493302398254, -1.3822645680845372e-32, -4.729818637933935e-33], [-1.1990128135769976e-32, 4.009493302398254, 1.3368470411613116e-17], [3.9829228763976494e-33, 1.3368470411613117e-17, 4.009493302398254]])
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 =  [ 2.54530087e-10  2.54530087e-10  2.54530087e-10 -3.54244642e-27
  1.27788045e-34  1.02997187e-53]
energy per atom =  -37.44905666964565
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0