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_ApostolMishin_2011_AlCu__SM_667696763561_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 11:16:08       -6.509036         0.010308
BFGS:    1 11:16:09       -6.509040         0.009265
BFGS:    2 11:16:09       -6.509058         0.000006
BFGS:    3 11:16:10       -6.509058         0.000000
Minimization converged after 3 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.078979153068411e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.235355394588553, 2.857326248792682e-33, -1.2295381186536603e-33], [3.809769301154597e-33, 3.235355394588553, 1.5983297224934978e-22], [-1.6797062474682406e-33, 1.5983297225157214e-22, 3.235355394588553]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 2.07897915e-10  2.07897915e-10  2.07897915e-10 -2.25453747e-26
  4.90642575e-35 -5.02983787e-51]
energy per atom =  -3.254529049483238
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0