element(s):
['Si']
AFLOW prototype label:
A_cI16_206_c
Parameter names:
['a', 'x1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.657', '0.10135586']
model name:
Sim_LAMMPS_ADP_StarikovGordeevLysogorskiy_2020_SiAuAl__SM_113843830602_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si']
representative atom coordinates =  [[0.10135586 0.10135586 0.10135586]]
spacegroup =  206
cell =  [[6.657, 0, 0], [0, 6.657, 0], [0, 0, 6.657]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:39:24      -68.194370        0.6798
BFGS:    1 17:39:24      -68.300253        0.6186
BFGS:    2 17:39:24      -68.585840        0.2553
BFGS:    3 17:39:24      -68.589920        0.2671
BFGS:    4 17:39:24      -68.595542        0.2650
BFGS:    5 17:39:24      -68.631285        0.2430
BFGS:    6 17:39:24      -68.663419        0.2193
BFGS:    7 17:39:24      -68.692310        0.1923
BFGS:    8 17:39:24      -68.716860        0.1588
BFGS:    9 17:39:25      -68.736161        0.1368
BFGS:   10 17:39:25      -68.771755        0.1896
BFGS:   11 17:39:25      -68.795124        0.1077
BFGS:   12 17:39:25      -68.806602        0.0207
BFGS:   13 17:39:25      -68.807185        0.0095
BFGS:   14 17:39:25      -68.807225        0.0043
BFGS:   15 17:39:25      -68.807234        0.0001
BFGS:   16 17:39:25      -68.807234        0.0000
BFGS:   17 17:39:25      -68.807234        0.0000
BFGS:   18 17:39:25      -68.807234        0.0000
Minimization converged after 18 steps.
Maximum force component: 1.5014478957729504e-10 eV/Angstrom
Maximum stress component: 1.0442667544726843e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']
basis =  [[0.09870249 0.09870249 0.09870249]
 [0.40129751 0.90129751 0.59870249]
 [0.90129751 0.59870249 0.40129751]
 [0.59870249 0.40129751 0.90129751]
 [0.59870249 0.59870249 0.59870249]
 [0.90129751 0.40129751 0.09870249]
 [0.40129751 0.09870249 0.90129751]
 [0.09870249 0.90129751 0.40129751]
 [0.90129751 0.90129751 0.90129751]
 [0.59870249 0.09870249 0.40129751]
 [0.09870249 0.40129751 0.59870249]
 [0.40129751 0.59870249 0.09870249]
 [0.40129751 0.40129751 0.40129751]
 [0.09870249 0.59870249 0.90129751]
 [0.59870249 0.90129751 0.09870249]
 [0.90129751 0.09870249 0.59870249]]
cellpar =  Cell([[6.4686742401331445, 2.291856785146154e-37, 0.0], [1.323871295668047e-38, 6.4686742401331445, 0.0], [0.0, 0.0, 6.4686742401331445]])
forces =  [[-1.5014479e-10 -1.5014479e-10 -1.5014479e-10]
 [ 1.5014479e-10  1.5014479e-10 -1.5014479e-10]
 [ 1.5014479e-10 -1.5014479e-10  1.5014479e-10]
 [-1.5014479e-10  1.5014479e-10  1.5014479e-10]
 [-1.5014479e-10 -1.5014479e-10 -1.5014479e-10]
 [ 1.5014479e-10  1.5014479e-10 -1.5014479e-10]
 [ 1.5014479e-10 -1.5014479e-10  1.5014479e-10]
 [-1.5014479e-10  1.5014479e-10  1.5014479e-10]
 [ 1.5014479e-10  1.5014479e-10  1.5014479e-10]
 [-1.5014479e-10 -1.5014479e-10  1.5014479e-10]
 [-1.5014479e-10  1.5014479e-10 -1.5014479e-10]
 [ 1.5014479e-10 -1.5014479e-10 -1.5014479e-10]
 [ 1.5014479e-10  1.5014479e-10  1.5014479e-10]
 [-1.5014479e-10 -1.5014479e-10  1.5014479e-10]
 [-1.5014479e-10  1.5014479e-10 -1.5014479e-10]
 [ 1.5014479e-10 -1.5014479e-10 -1.5014479e-10]]
stress =  [1.04426675e-11 1.04426675e-11 1.04426675e-11 0.00000000e+00
 0.00000000e+00 9.81903127e-35]
energy per atom =  -4.300452099199622
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0