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_ApostolMishin_2011_AlCu__SM_667696763561_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 10:09:25      -13.438917         0.066200
BFGS:    1 10:09:25      -13.439096         0.060477
BFGS:    2 10:09:25      -13.440000         0.000314
BFGS:    3 10:09:25      -13.440000         0.000000
BFGS:    4 10:09:25      -13.440000         0.000000
Minimization converged after 4 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.252858733511047e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Al']
basis =  [[0.0000000e+00 0.0000000e+00 0.0000000e+00]
 [0.0000000e+00 5.0000000e-01 5.0000000e-01]
 [5.0000000e-01 1.8575738e-37 5.0000000e-01]
 [5.0000000e-01 5.0000000e-01 3.7151476e-37]]
cellpar =  Cell([[4.049994593258575, -2.6312692433527205e-38, 1.5448487483353333e-32], [-3.1020925470542495e-38, 4.049994593258575, -1.2621422040262497e-20], [7.520778080682492e-33, -1.262142204025438e-20, 4.049994593258575]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 3.25285873e-13  3.25285873e-13  3.25285873e-13  7.22280555e-29
 -6.06655364e-35 -6.73524361e-51]
energy per atom =  -3.359999890407934
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0