element(s):
['Al', 'Co']
AFLOW prototype label:
AB3_cP4_221_a_c
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.6669']
model name:
EAM_Dynamo_VailheFarkas_1997_CoAl__MO_284963179498_005
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Co']
representative atom coordinates =  [[0.  0.  0. ]
 [0.  0.5 0.5]]
spacegroup =  221
cell =  [[3.6669, 0, 0], [0, 3.6669, 0], [0, 0, 3.6669]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 12:18:42      -17.969524         1.129749
BFGS:    1 12:18:42      -18.021150         0.998955
BFGS:    2 12:18:42      -18.138515         0.552444
BFGS:    3 12:18:42      -18.182932         0.024447
BFGS:    4 12:18:42      -18.183016         0.000143
BFGS:    5 12:18:42      -18.183016         0.000019
BFGS:    6 12:18:42      -18.183016         0.000000
BFGS:    7 12:18:42      -18.183016         0.000000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.1742724280870316e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Co', 'Co', 'Co']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [3.84579027e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.08249373e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 1.08249373e-34]]
cellpar =  Cell([[3.5583207523144904, 1.0166560048570262e-32, -2.016720231854226e-33], [9.459497345379914e-33, 3.5583207523144904, -4.8378283711424505e-18], [1.0367000354752416e-33, -4.837828371142454e-18, 3.5583207523144904]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-3.17427243e-13 -3.17427243e-13 -3.17427243e-13 -7.99749194e-31
  2.02809846e-35  1.17434587e-52]
energy per atom =  -4.54575392339635
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0