element(s):
['Si']
AFLOW prototype label:
A_hP1_191_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:
['2.6513', '0.93471127']
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 =  191
cell =  [[2.6513, 0, 0], [-1.32565, 2.2960931530537, 0], [0, 0, 2.4782]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 14:39:52       -4.229201        0.8340
BFGS:    1 14:39:53       -4.244617        0.4939
BFGS:    2 14:39:53       -4.251734        0.7446
BFGS:    3 14:39:53       -4.254855        0.2655
BFGS:    4 14:39:53       -4.255516        0.0346
BFGS:    5 14:39:53       -4.255543        0.0072
BFGS:    6 14:39:53       -4.255544        0.0004
BFGS:    7 14:39:53       -4.255544        0.0000
BFGS:    8 14:39:53       -4.255544        0.0000
BFGS:    9 14:39:53       -4.255544        0.0000
Minimization converged after 9 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.2384770309364196e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[2.577996144375454, 1.1116666484456284e-17, -1.5002941878409328e-36], [-1.288998072187727, 2.2326101518874784, 2.5658889791683965e-35], [4.020076771888484e-36, -2.4767870555472385e-34, 2.4690309265485415]])
forces =  [[0. 0. 0.]]
stress =  [ 1.97065302e-10  1.97065302e-10  3.23847703e-10  2.02604413e-37
  3.50921171e-37 -1.01715097e-25]
energy per atom =  -4.255544159804754
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0