element(s):
['Si']
AFLOW prototype label:
A_cI12_229_d
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.7307']
model name:
Sim_LAMMPS_ADP_StarikovGordeevLysogorskiy_2020_SiAuAl__SM_113843830602_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si']
representative atom coordinates =  [[0.25 0.   0.5 ]]
spacegroup =  229
cell =  [[6.7307, 0, 0], [0, 6.7307, 0], [0, 0, 6.7307]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:32:18      -50.243771         0.066771
BFGS:    1 15:32:18      -50.243956         0.062527
BFGS:    2 15:32:18      -50.245164         0.005533
BFGS:    3 15:32:18      -50.245174         0.000204
BFGS:    4 15:32:18      -50.245174         0.000002
BFGS:    5 15:32:18      -50.245174         0.000000
Minimization converged after 5 steps.
Maximum force component: 4.75102503296311e-30 eV/Angstrom
Maximum stress component: 2.6651862576238153e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']
basis =  [[2.50000000e-01 3.58088878e-36 5.00000000e-01]
 [7.50000000e-01 7.32828888e-33 5.00000000e-01]
 [5.00000000e-01 2.50000000e-01 0.00000000e+00]
 [5.00000000e-01 7.50000000e-01 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 2.50000000e-01]
 [3.28147510e-37 5.00000000e-01 7.50000000e-01]
 [1.53586437e-37 2.50000000e-01 5.00000000e-01]
 [2.88868673e-38 7.50000000e-01 5.00000000e-01]
 [2.50000000e-01 5.00000000e-01 1.79044439e-36]
 [7.50000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 3.65966833e-33 7.50000000e-01]
 [5.00000000e-01 3.66145877e-33 2.50000000e-01]]
cellpar =  Cell([[6.722946680634452, 1.1000738242381929e-32, 8.990589030905961e-33], [1.7112125188516868e-32, 6.722946680634452, 1.6369027140755329e-19], [4.4494355452448507e-33, 1.6369027140745966e-19, 6.722946680634452]])
forces =  [[-8.90817194e-31  1.38111193e-32 -6.90555964e-33]
 [-6.62933726e-31 -2.07166789e-32 -5.04409592e-52]
 [ 6.90555964e-33  2.76222386e-32  2.41694587e-32]
 [-1.38111193e-32  5.52444771e-32 -1.38111193e-32]
 [ 2.76222386e-32  1.38111193e-32 -2.48600147e-31]
 [-6.90555964e-33 -1.38111193e-32  4.69578056e-31]
 [-2.07166789e-32 -4.75102503e-30 -1.72638991e-32]
 [ 7.62680916e-63  2.99010732e-30  2.41694587e-32]
 [-9.87495029e-31 -1.38111193e-32 -1.38111193e-32]
 [ 3.86711340e-31  1.38111193e-32 -6.90555964e-33]
 [ 2.76222386e-32  3.45277982e-32 -3.72900221e-30]
 [ 2.51190834e-63 -2.76222386e-32  3.90164120e-30]]
stress =  [-2.66518626e-11 -2.66518626e-11 -2.66518626e-11 -4.34307173e-28
 -4.54516732e-35  6.06520246e-51]
energy per atom =  -4.187097832724351
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0