element(s):
['Au', 'Cu']
AFLOW prototype label:
AB_tP2_123_a_d
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.9689', '1.1393782']
model name:
EMT_Asap_Standard_JacobsenStoltzeNorskov_1996_AlAgAuCuNiPdPt__MO_115316750986_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Au', 'Cu']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  123
cell =  [[2.9689, 0, 0], [0, 2.9689, 0], [0, 0, 3.3827]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 16:30:37       -7.240073        1.0411
BFGS:    1 16:30:37       -7.276814        0.8385
BFGS:    2 16:30:37       -7.332073        0.1006
BFGS:    3 16:30:37       -7.332230        0.0716
BFGS:    4 16:30:37       -7.332456        0.0547
BFGS:    5 16:30:37       -7.334070        0.1323
BFGS:    6 16:30:37       -7.338000        0.2579
BFGS:    7 16:30:37       -7.340956        0.3583
BFGS:    8 16:30:37       -7.343318        0.4087
BFGS:    9 16:30:37       -7.346180        0.3808
BFGS:   10 16:30:37       -7.351137        0.2189
BFGS:   11 16:30:37       -7.354935        0.0610
BFGS:   12 16:30:37       -7.355332        0.0063
BFGS:   13 16:30:37       -7.355338        0.0001
BFGS:   14 16:30:37       -7.355338        0.0000
BFGS:   15 16:30:37       -7.355338        0.0000
BFGS:   16 16:30:37       -7.355338        0.0000
Minimization converged after 16 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.1471277894024358e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Au', 'Cu']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.747715890057485, -3.685482137370465e-34, -6.533786840730411e-34], [-2.7223783746127795e-34, 2.747715890057484, -2.7190857849258897e-17], [6.16965914293733e-33, -3.3718054201204934e-17, 3.6624384874695655]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 6.12842201e-12  6.12842201e-12  1.14712779e-11  2.46672256e-27
 -2.44967399e-33 -2.72319637e-49]
energy per atom =  -3.6776690416493016
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0