element(s):
['Al']
AFLOW prototype label:
A_cF4_225_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.039']
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 =  225
cell =  [[4.039, 0, 0], [0, 4.039, 0], [0, 0, 4.039]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:12:42      -13.522479         0.077156
BFGS:    1 16:12:42      -13.522723         0.070508
BFGS:    2 16:12:42      -13.524018         0.003285
BFGS:    3 16:12:42      -13.524021         0.000335
BFGS:    4 16:12:42      -13.524021         0.000024
BFGS:    5 16:12:42      -13.524021         0.000000
BFGS:    6 16:12:43      -13.524021         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.249340782945069e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Al']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [6.79904389e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[4.025435207307068, -1.3833628032754917e-32, -1.8458358053109495e-33], [-1.2759154912576007e-32, 4.025435207307068, 4.703096273163243e-20], [2.3799404599800826e-33, 4.703096273163245e-20, 4.025435207307068]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [2.24934078e-11 2.24934078e-11 2.24934078e-11 1.79624058e-28
 5.74462325e-35 4.99589173e-52]
energy per atom =  -3.3810053392251644
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0