element(s):
['Al']
AFLOW prototype label:
A_cI2_229_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.233']
model name:
Sim_LAMMPS_ADP_StarikovGordeevLysogorskiy_2020_SiAuAl__SM_113843830602_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al']
representative atom coordinates =  [[0 0 0]]
spacegroup =  229
cell =  [[3.233, 0, 0], [0, 3.233, 0], [0, 0, 3.233]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 11:15:35       -6.612154         0.105916
BFGS:    1 11:15:36       -6.612604         0.092972
BFGS:    2 11:15:36       -6.614012         0.008054
BFGS:    3 11:15:36       -6.614021         0.000952
BFGS:    4 11:15:36       -6.614021         0.000058
BFGS:    5 11:15:37       -6.614021         0.000002
BFGS:    6 11:15:37       -6.614021         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.9253881794395098e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.214229088351447, -3.993921784688997e-33, -1.739623052488336e-32], [1.2304316489291044e-32, 3.214229088351447, -8.554724713945375e-21], [-1.9763168433712145e-32, -8.554724713942179e-21, 3.214229088351447]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 1.92538818e-10  1.92538818e-10  1.92538818e-10  1.49164870e-26
 -3.29337699e-34 -6.28218740e-50]
energy per atom =  -3.307010436483055
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0