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_StarikovGordeevLysogorskiy_2020_SiAuAl__SM_113843830602_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      -16.659183         0.575184
BFGS:    1 17:24:56      -16.669563         0.509195
BFGS:    2 17:24:56      -16.706593         0.200612
BFGS:    3 17:24:56      -16.707267         0.170221
BFGS:    4 17:24:56      -16.708593         0.141671
BFGS:    5 17:24:56      -16.715144         0.266226
BFGS:    6 17:24:56      -16.720773         0.367159
BFGS:    7 17:24:57      -16.728711         0.403270
BFGS:    8 17:24:57      -16.740192         0.203474
BFGS:    9 17:24:57      -16.743340         0.033921
BFGS:   10 17:24:57      -16.743395         0.005471
BFGS:   11 17:24:57      -16.743399         0.001177
BFGS:   12 17:24:57      -16.743399         0.000092
BFGS:   13 17:24:57      -16.743399         0.000006
BFGS:   14 17:24:57      -16.743399         0.000000
BFGS:   15 17:24:57      -16.743399         0.000000
Minimization converged after 15 steps.
Maximum force component: 3.528179378351607e-31 eV/Angstrom
Maximum stress component: 2.9053575167149157e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si']
basis =  [[1.42543308e-33 1.82441928e-33 1.04553202e-32]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [1.36729425e-33 5.00000000e-01 2.50000000e-01]
 [5.00000000e-01 3.09084797e-33 7.50000000e-01]]
cellpar =  Cell([[4.770665287125628, 6.233763138715488e-38, -7.796360972190504e-37], [-2.128567187284763e-37, 4.770665287125627, 3.017499792083762e-19], [-1.9934994371396814e-35, -5.4819573341427e-20, 2.8415166646198124]])
forces =  [[-1.69058595e-31  8.82044845e-32 -6.56707444e-33]
 [-2.94014948e-31  3.52817938e-31 -4.37804963e-33]
 [ 1.17605979e-31 -2.94014948e-32 -4.37804963e-33]
 [ 1.10255606e-31 -3.52817938e-31 -4.37804963e-33]]
stress =  [ 1.70363667e-10  1.70363667e-10  2.90535752e-10  5.77200477e-27
 -5.68291712e-35 -4.96459168e-51]
energy per atom =  -4.185849812040919
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0