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 09:47:32      -16.538716         0.584251
BFGS:    1 09:47:32      -16.549431         0.456334
BFGS:    2 09:47:32      -16.567250         0.121589
BFGS:    3 09:47:32      -16.568278         0.052192
BFGS:    4 09:47:32      -16.568364         0.032356
BFGS:    5 09:47:32      -16.568401         0.025246
BFGS:    6 09:47:32      -16.568534         0.033814
BFGS:    7 09:47:32      -16.568714         0.033651
BFGS:    8 09:47:32      -16.568889         0.020270
BFGS:    9 09:47:32      -16.568941         0.008186
BFGS:   10 09:47:32      -16.568949         0.001469
BFGS:   11 09:47:32      -16.568950         0.000140
BFGS:   12 09:47:32      -16.568950         0.000005
BFGS:   13 09:47:32      -16.568950         0.000000
Minimization converged after 13 steps.
Maximum force component: 8.96034574667582e-32 eV/Angstrom
Maximum stress component: 3.604580539046798e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si']
basis =  [[0.00000000e+00 0.00000000e+00 6.29006982e-34]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [0.00000000e+00 5.00000000e-01 2.50000000e-01]
 [5.00000000e-01 5.39438924e-33 7.50000000e-01]]
cellpar =  Cell([[4.846330736651122, -1.6540291999318265e-37, -1.497455489508346e-41], [-5.330299381947863e-37, 4.8463307366511215, -2.2080712959164103e-20], [-1.817639006678025e-39, -1.2143280186832027e-20, 2.6914375819579446]])
forces =  [[ 1.49339096e-32  7.48387422e-53 -1.65872647e-32]
 [ 4.48017287e-32  5.97356383e-32 -1.86606728e-32]
 [-3.30045346e-69  2.98678192e-32  2.28074890e-32]
 [-9.86075290e-69  8.96034575e-32  8.29363237e-33]]
stress =  [ 1.48844296e-10  1.48844296e-10  3.60458054e-10 -2.75218044e-28
  2.54413396e-50  2.96763357e-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