element(s):
['Al', 'O']
AFLOW prototype label:
A2B_cF12_225_c_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.6889']
model name:
Sim_LAMMPS_Buckingham_SunStirnerHagston_2006_AlO__SM_466046725502_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'O']
representative atom coordinates =  [[0.25 0.25 0.25]
 [0.   0.   0.  ]]
spacegroup =  225
cell =  [[5.6889, 0, 0], [0, 5.6889, 0], [0, 0, 5.6889]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:05:43     -506.636813         0.135981
BFGS:    1 16:05:43     -506.563100         0.130385
BFGS:    2 16:05:43     -504.844979         0.002763
BFGS:    3 16:05:43     -504.807937         0.000035
BFGS:    4 16:05:43     -504.807459         0.000000
BFGS:    5 16:05:43     -504.807458         0.000000
BFGS:    6 16:05:43     -504.807458         0.000000
BFGS:    7 16:05:43     -504.807214         0.948607
BFGS:    8 16:05:43     -502.917907         0.136193
BFGS:    9 16:05:43     -503.154700         0.119361
BFGS:   10 16:05:43     -504.837347         0.002199
BFGS:   11 16:05:43     -504.806914         0.000045
BFGS:   12 16:05:43     -504.807508         0.000001
BFGS:   13 16:05:43     -504.807503         0.000002
BFGS:   14 16:05:43     -504.807501         0.000001
BFGS:   15 16:05:43     -504.807497         0.000001
BFGS:   16 16:05:44     -504.807457         0.000000
BFGS:   17 16:05:44     -504.807457         0.000000
Minimization converged after 17 steps.
Maximum force component: 2.0964844882390817e-20 eV/Angstrom
Maximum stress component: 1.1598955963352048e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'O', 'O', 'O', 'O']
basis =  [[2.5000000e-01 2.5000000e-01 2.5000000e-01]
 [7.5000000e-01 7.5000000e-01 2.5000000e-01]
 [7.5000000e-01 2.5000000e-01 7.5000000e-01]
 [2.5000000e-01 7.5000000e-01 7.5000000e-01]
 [2.5000000e-01 2.5000000e-01 7.5000000e-01]
 [7.5000000e-01 7.5000000e-01 7.5000000e-01]
 [2.5000000e-01 7.5000000e-01 2.5000000e-01]
 [7.5000000e-01 2.5000000e-01 2.5000000e-01]
 [0.0000000e+00 0.0000000e+00 0.0000000e+00]
 [0.0000000e+00 5.0000000e-01 5.0000000e-01]
 [5.0000000e-01 1.6859366e-35 5.0000000e-01]
 [5.0000000e-01 5.0000000e-01 0.0000000e+00]]
cellpar =  Cell([[5.711750814874824, 1.5813836358561111e-32, 1.89001449291257e-32], [7.809090556434973e-32, 5.711750814874824, 8.446031482290954e-19], [2.145562651609678e-32, 8.446031482290937e-19, 5.711750814874824]])
forces =  [[ 3.32615327e-21 -1.25990654e-21 -1.21454991e-20]
 [ 1.76386916e-21  7.45864674e-21 -4.83804113e-21]
 [ 4.68685234e-21 -1.61268038e-21  1.44133309e-20]
 [ 2.06624673e-21  6.65230655e-21  2.09648449e-20]
 [-7.30745795e-21 -1.06840075e-20  5.54358879e-21]
 [-6.04755141e-21  7.71062805e-21  1.20447066e-20]
 [-7.55943926e-22  1.12887626e-20 -7.25706169e-21]
 [-4.78764486e-21 -1.10871776e-20 -1.42117458e-20]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [ 1.15989560e-11  1.15989560e-11  1.15989560e-11  3.48250214e-28
  5.82837774e-59 -1.03325157e-59]
energy per atom =  -42.067288108404654
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0