element(s):
['Si']
AFLOW prototype label:
A_tI8_139_h
Parameter names:
['a', 'c/a', 'x1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.6881', '0.57703982', '0.8213634']
model name:
Sim_LAMMPS_ADP_StarikovLopanitsynaSmirnova_2018_SiAu__SM_985135773293_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si']
representative atom coordinates =  [[0.8213634 0.8213634 0.       ]]
spacegroup =  139
cell =  [[6.6881, 0, 0], [0, 6.6881, 0], [0, 0, 3.8593]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 17:31:58      -35.641309         0.733363
BFGS:    1 17:31:58      -35.658625         0.675042
BFGS:    2 17:31:58      -35.717109         0.418704
BFGS:    3 17:31:58      -35.751392         0.311251
BFGS:    4 17:31:58      -35.775132         0.328025
BFGS:    5 17:31:58      -35.790077         0.291484
BFGS:    6 17:31:58      -35.798065         0.384799
BFGS:    7 17:31:58      -35.803206         0.401619
BFGS:    8 17:31:58      -35.808396         0.380213
BFGS:    9 17:31:59      -35.820153         0.315531
BFGS:   10 17:31:59      -35.832389         0.247642
BFGS:   11 17:31:59      -35.844901         0.224202
BFGS:   12 17:31:59      -35.856047         0.176506
BFGS:   13 17:31:59      -35.863760         0.097213
BFGS:   14 17:31:59      -35.865804         0.017138
BFGS:   15 17:31:59      -35.865860         0.005624
BFGS:   16 17:31:59      -35.865874         0.001129
BFGS:   17 17:31:59      -35.865874         0.000197
BFGS:   18 17:31:59      -35.865874         0.000003
BFGS:   19 17:31:59      -35.865874         0.000000
BFGS:   20 17:31:59      -35.865874         0.000000
Minimization converged after 20 steps.
Maximum force component: 2.1126928451045001e-10 eV/Angstrom
Maximum stress component: 2.284715654101023e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']
basis =  [[8.16507532e-01 8.16507532e-01 0.00000000e+00]
 [1.83492468e-01 1.83492468e-01 4.12732313e-34]
 [1.83492468e-01 8.16507532e-01 0.00000000e+00]
 [8.16507532e-01 1.83492468e-01 1.94226971e-34]
 [3.16507532e-01 3.16507532e-01 5.00000000e-01]
 [6.83492468e-01 6.83492468e-01 5.00000000e-01]
 [6.83492468e-01 3.16507532e-01 5.00000000e-01]
 [3.16507532e-01 6.83492468e-01 5.00000000e-01]]
cellpar =  Cell([[6.3826810991735226, -5.829557871355677e-36, -5.075293711659268e-33], [3.6662025443564874e-36, 6.382681099173518, -2.835728979255658e-18], [7.635782279345605e-33, -1.7173419513981119e-18, 3.966349131875565]])
forces =  [[ 2.11269285e-10  2.11269285e-10 -9.38148687e-29]
 [-2.11269285e-10 -2.11269285e-10  9.39615358e-29]
 [-2.11269285e-10  2.11269285e-10 -9.37659797e-29]
 [ 2.11269285e-10 -2.11269285e-10  9.38148687e-29]
 [ 2.11269285e-10  2.11269285e-10 -9.38148687e-29]
 [-2.11269285e-10 -2.11269285e-10  9.40348694e-29]
 [-2.11269285e-10  2.11269285e-10 -9.39248690e-29]
 [ 2.11269285e-10 -2.11269285e-10  9.38148687e-29]]
stress =  [ 2.78944725e-12  2.78944725e-12 -2.28471565e-11  5.53346452e-27
 -2.23552673e-44  5.22964356e-60]
energy per atom =  -4.483234295918371
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0