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:
EAM_Dynamo_PunYamakovMishin_2013_AlCo__MO_678952612413_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 09:37:14       -6.509036        0.0103
BFGS:    1 09:37:14       -6.509040        0.0093
BFGS:    2 09:37:14       -6.509058        0.0000
BFGS:    3 09:37:14       -6.509058        0.0000
Minimization converged after 3 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.0622991334572055e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.2353569631334187, -5.0797196854110304e-33, 9.845868788220775e-33], [5.0796491404714446e-33, 3.2353569631334187, -3.62679712741919e-23], [-5.725475917042569e-34, -3.626797126403312e-23, 3.2353569631334187]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 4.06229913e-11  4.06229913e-11  4.06229913e-11  1.80402408e-26
 -3.60814693e-60  2.09458996e-59]
energy per atom =  -3.254529049369366
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0