element(s):
['Si']
AFLOW prototype label:
A_tI4_141_a
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.8146', '0.54949529']
model name:
Sim_LAMMPS_ADP_StarikovLopanitsynaSmirnova_2018_SiAu__SM_985135773293_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si']
representative atom coordinates =  [[0 0 0]]
spacegroup =  141
cell =  [[4.8146, 0, 0], [0, 4.8146, 0], [0, 0, 2.6456]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 17:24:56      -16.538716         0.584251
BFGS:    1 17:24:56      -16.549431         0.456334
BFGS:    2 17:24:56      -16.567250         0.121589
BFGS:    3 17:24:56      -16.568278         0.052192
BFGS:    4 17:24:56      -16.568364         0.032356
BFGS:    5 17:24:56      -16.568401         0.025246
BFGS:    6 17:24:56      -16.568534         0.033814
BFGS:    7 17:24:56      -16.568714         0.033651
BFGS:    8 17:24:57      -16.568889         0.020270
BFGS:    9 17:24:57      -16.568941         0.008186
BFGS:   10 17:24:57      -16.568949         0.001469
BFGS:   11 17:24:57      -16.568950         0.000140
BFGS:   12 17:24:57      -16.568950         0.000005
BFGS:   13 17:24:57      -16.568950         0.000000
Minimization converged after 13 steps.
Maximum force component: 7.466954788896517e-32 eV/Angstrom
Maximum stress component: 3.604579587349362e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si']
basis =  [[0.00000000e+00 0.00000000e+00 6.47610438e-33]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [0.00000000e+00 5.00000000e-01 2.50000000e-01]
 [5.00000000e-01 0.00000000e+00 7.50000000e-01]]
cellpar =  Cell([[4.846330736651121, 5.617246992289623e-37, 1.1047563378568096e-39], [-1.1564029873155349e-37, 4.8463307366511215, 2.176184370400111e-20], [2.77812106027698e-52, 1.2001864997940924e-20, 2.691437581957945]])
forces =  [[ 4.48017287e-32 -5.22686835e-32 -2.34706004e-52]
 [ 2.98678192e-32  3.73347739e-32  1.67647146e-52]
 [ 7.12688365e-70 -2.98678192e-32  2.07340809e-33]
 [ 1.78172091e-69 -7.46695479e-32 -3.35294291e-52]]
stress =  [ 1.48844005e-10  1.48844005e-10  3.60457959e-10 -6.63351756e-28
 -3.88848560e-63 -4.47935494e-64]
energy per atom =  -4.142237386892154
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0