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 10:09:21      -13.522479         0.077156
BFGS:    1 10:09:21      -13.522723         0.070508
BFGS:    2 10:09:21      -13.524018         0.003285
BFGS:    3 10:09:21      -13.524021         0.000335
BFGS:    4 10:09:21      -13.524021         0.000024
BFGS:    5 10:09:21      -13.524021         0.000000
BFGS:    6 10:09:21      -13.524021         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.2493407262101477e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Al']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [3.39952194e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 7.47562781e-37]]
cellpar =  Cell([[4.025435207307068, 1.0716062516645267e-32, 8.611176277469507e-33], [1.3267743811248124e-32, 4.025435207307068, 5.149142324725659e-20], [-1.426819979587629e-33, 5.1491423247277506e-20, 4.025435207307068]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [2.24934073e-11 2.24934073e-11 2.24934073e-11 1.66761197e-27
 6.98268861e-35 2.59496350e-51]
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