element(s):
['Si']
AFLOW prototype label:
A_hP2_194_c
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:
['2.6864', '1.708383']
model name:
Sim_LAMMPS_ADP_StarikovGordeevLysogorskiy_2020_SiAuAl__SM_113843830602_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si']
representative atom coordinates =  [[0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[2.6864, 0, 0], [-1.3432, 2.3264906447265, 0], [0, 0, 4.5894]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:10:33       -6.065414         9.922956
BFGS:    1 15:10:33       -6.967151         3.171730
BFGS:    2 15:10:33       -7.090233         0.793832
BFGS:    3 15:10:33       -7.100589         0.446738
BFGS:    4 15:10:33       -7.105722         0.196420
BFGS:    5 15:10:33       -7.106860         0.078686
BFGS:    6 15:10:33       -7.107085         0.063945
BFGS:    7 15:10:33       -7.107245         0.069095
BFGS:    8 15:10:33       -7.107474         0.053670
BFGS:    9 15:10:33       -7.107625         0.023260
BFGS:   10 15:10:33       -7.107662         0.007238
BFGS:   11 15:10:33       -7.107660         0.009765
BFGS:   12 15:10:34       -7.107663         0.001832
BFGS:   13 15:10:34       -7.107663         0.001115
BFGS:   14 15:10:34       -7.107663         0.000050
BFGS:   15 15:10:34       -7.107663         0.000001
BFGS:   16 15:10:34       -7.107663         0.000000
Minimization converged after 16 steps.
Maximum force component: 1.995348958083507e-32 eV/Angstrom
Maximum stress component: 1.810129163496581e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si']
basis =  [[0.33333333 0.66666667 0.25      ]
 [0.66666666 0.33333334 0.75      ]]
cellpar =  Cell([[2.78732144091107, -2.987073115889459e-18, 9.018097793631882e-36], [-1.393660720455535, 2.413891176342032, 1.8532015138234027e-35], [-6.709948774038429e-35, -7.627922680290915e-35, 4.8564581844083134]])
forces =  [[ 2.75688347e-67  3.13404687e-67 -1.99534896e-32]
 [-2.75688347e-67 -3.13404687e-67  1.99534896e-32]]
stress =  [ 7.03878213e-11  7.03878213e-11  1.81012916e-10  1.22667611e-33
 -3.03523622e-34  3.68378336e-26]
energy per atom =  -3.553831383102389
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0