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 16:59:44      -81.716059        0.4911
BFGS:    1 16:59:44      -81.724996        0.4166
BFGS:    2 16:59:44      -81.752639        0.1237
BFGS:    3 16:59:44      -81.753552        0.0879
BFGS:    4 16:59:44      -81.754746        0.0847
BFGS:    5 16:59:44      -81.754954        0.0774
BFGS:    6 16:59:44      -81.755871        0.0427
BFGS:    7 16:59:44      -81.756051        0.0207
BFGS:    8 16:59:44      -81.756084        0.0024
BFGS:    9 16:59:44      -81.756075        0.0002
BFGS:   10 16:59:44      -81.756078        0.0000
BFGS:   11 16:59:44      -81.756077        0.0000
BFGS:   12 16:59:44      -81.756078        0.0000
BFGS:   13 16:59:44      -81.756074        0.0000
BFGS:   14 16:59:45      -81.756076        0.0000
BFGS:   15 16:59:45      -81.756075        0.0000
BFGS:   16 16:59:45      -81.756075        0.0000
BFGS:   17 16:59:45      -81.756075        0.0000
BFGS:   18 16:59:45      -81.756075        0.0000
Minimization converged after 18 steps.
Maximum force component: 7.0101125500677915e-09 eV/Angstrom
Maximum stress component: 4.950553951809401e-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 3.73621959e-33]
 [1.94840062e-01 8.05159938e-01 5.00000000e-01]
 [8.05159938e-01 1.94840062e-01 5.00000000e-01]
 [0.00000000e+00 0.00000000e+00 1.99424857e-51]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]]
cellpar =  Cell([[4.184588628096357, -4.397497157252551e-37, 4.508319413109358e-33], [-9.498216166927978e-37, 4.184588628096357, -5.494236805769938e-19], [-2.9333218909623306e-33, -3.525153915338734e-19, 2.6804729918957038]])
forces =  [[ 7.01011255e-09  7.01011255e-09 -9.20142009e-28]
 [-7.01011255e-09 -7.01011255e-09  9.20142009e-28]
 [-7.01011255e-09  7.01011255e-09 -9.20047021e-28]
 [ 7.01011255e-09 -7.01011255e-09  9.20048054e-28]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [-1.70918882e-10 -1.70918882e-10  4.95055395e-10  1.10922452e-26
 -1.75823223e-32 -8.54533857e-49]
energy per atom =  -13.626012578582644
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0