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:
EMT_Asap_Standard_JacobsenStoltzeNorskov_1996_AlAgAuCuNiPdPt__MO_115316750986_001
==== 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 10:13:04       -6.502077         0.661826
BFGS:    1 10:13:04       -6.519620         0.563934
BFGS:    2 10:13:04       -6.555698         0.029183
BFGS:    3 10:13:04       -6.555900         0.020247
BFGS:    4 10:13:04       -6.556106         0.002153
BFGS:    5 10:13:04       -6.556109         0.000042
BFGS:    6 10:13:04       -6.556109         0.000000
BFGS:    7 10:13:04       -6.556109         0.000000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 6.488649903680883e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.1213204009224493, -3.275404283779864e-33, -2.1961218062740344e-34], [2.4731206723457366e-33, 3.1213204009224493, 2.2696532776195892e-18], [1.7416738852127308e-32, 2.269653277619574e-18, 3.1213204009224493]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 6.48864990e-12  6.48864990e-12  6.48864990e-12 -6.06832408e-28
  2.10859177e-34  5.28939116e-50]
energy per atom =  -3.2780543407954696
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0