element(s):
['O', 'Si']
AFLOW prototype label:
A2B_tP6_136_f_a
Parameter names:
['a', 'c/a', 'x2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.2324', '0.63647103', '0.30675261']
model name:
Sim_LAMMPS_Buckingham_CarreHorbachIspas_2008_SiO__SM_886641404623_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['O', 'Si']
representative atom coordinates =  [[0.30675261 0.30675261 0.        ]
 [0.         0.         0.        ]]
spacegroup =  136
cell =  [[4.2324, 0, 0], [0, 4.2324, 0], [0, 0, 2.6938]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 17:26:44      -81.716059         0.491071
BFGS:    1 17:26:44      -81.724996         0.416631
BFGS:    2 17:26:44      -81.752688         0.123711
BFGS:    3 17:26:44      -81.753547         0.087969
BFGS:    4 17:26:44      -81.754745         0.084585
BFGS:    5 17:26:44      -81.754956         0.077354
BFGS:    6 17:26:44      -81.755864         0.042858
BFGS:    7 17:26:44      -81.756048         0.020895
BFGS:    8 17:26:44      -81.756085         0.002424
BFGS:    9 17:26:44      -81.756074         0.000241
BFGS:   10 17:26:44      -81.756075         0.000009
BFGS:   11 17:26:44      -81.756080         0.000001
BFGS:   12 17:26:44      -81.756079         0.000000
BFGS:   13 17:26:44      -81.756078         0.000000
BFGS:   14 17:26:44      -81.756079         0.000000
BFGS:   15 17:26:44      -81.756078         0.000000
BFGS:   16 17:26:44      -81.756079         0.000000
BFGS:   17 17:26:44      -81.756077         0.000000
BFGS:   18 17:26:44      -81.756075         0.000000
BFGS:   19 17:26:44      -81.756075         0.000000
BFGS:   20 17:26:44      -81.756076         0.000000
BFGS:   21 17:26:44      -81.756076         0.000000
BFGS:   22 17:26:44      -81.756076         0.000000
BFGS:   23 17:26:44      -81.756076         0.000000
BFGS:   24 17:26:44      -81.756076         0.000000
Minimization converged after 24 steps.
Maximum force component: 3.460954972942357e-09 eV/Angstrom
Maximum stress component: 3.800069849223095e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['O', 'O', 'O', 'O', 'Si', 'Si']
basis =  [[3.05159938e-01 3.05159938e-01 0.00000000e+00]
 [6.94840062e-01 6.94840062e-01 7.90354147e-34]
 [1.94840062e-01 8.05159938e-01 5.00000000e-01]
 [8.05159938e-01 1.94840062e-01 5.00000000e-01]
 [0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]]
cellpar =  Cell([[4.184588629970252, 6.81914008073101e-37, 2.789763226544585e-35], [4.909472852748987e-37, 4.184588629970252, -1.3593426613900903e-18], [-1.4727795684262978e-33, -8.647231638453583e-19, 2.680472984045371]])
forces =  [[-3.46095497e-09 -3.46095497e-09  1.12440605e-27]
 [ 3.46095497e-09  3.46095497e-09 -1.12420781e-27]
 [ 3.46095497e-09 -3.46095497e-09  1.12420781e-27]
 [-3.46095497e-09  3.46095497e-09 -1.12440605e-27]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [ 3.80006985e-10  3.80006985e-10 -2.42932560e-10  1.24356763e-26
  2.63562257e-43 -2.23799233e-59]
energy per atom =  -13.626012589045112
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0