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_QuinticHermiteSpline_ErcolessiAdams_1994_Al__MO_781138671863_002
==== 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 10:13:19       -6.569956         0.520587
BFGS:    1 10:13:19       -6.580777         0.448778
BFGS:    2 10:13:19       -6.614011         0.013873
BFGS:    3 10:13:19       -6.614029         0.005233
BFGS:    4 10:13:19       -6.614032         0.000039
BFGS:    5 10:13:19       -6.614032         0.000000
BFGS:    6 10:13:19       -6.614032         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.480815066428707e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.1474771906022703, 6.702149381884938e-33, 2.274018232461457e-34], [-5.2210235254196654e-33, 3.1474771906022703, 8.734787714953753e-20], [5.378655830005426e-33, 8.734787714953749e-20, 3.1474771906022703]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 1.48081507e-13  1.48081507e-13  1.48081507e-13  1.12136973e-29
 -7.59996177e-62  4.22694630e-62]
energy per atom =  -3.307015873525411
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0