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:
EAM_Dynamo_GolaPastewka_2018_CuAu__MO_426403318662_000
==== 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 11:10:54       -7.555355         0.589117
BFGS:    1 11:10:54       -7.565679         0.435774
BFGS:    2 11:10:54       -7.576109         0.243045
BFGS:    3 11:10:54       -7.576913         0.223865
BFGS:    4 11:10:54       -7.589628         0.281239
BFGS:    5 11:10:54       -7.601489         0.446584
BFGS:    6 11:10:54       -7.612930         0.557620
BFGS:    7 11:10:54       -7.623175         0.611027
BFGS:    8 11:10:54       -7.631787         0.587197
BFGS:    9 11:10:54       -7.639360         0.434559
BFGS:   10 11:10:54       -7.644650         0.308392
BFGS:   11 11:10:54       -7.649815         0.023154
BFGS:   12 11:10:54       -7.649950         0.002193
BFGS:   13 11:10:55       -7.649950         0.000026
BFGS:   14 11:10:55       -7.649950         0.000000
BFGS:   15 11:10:55       -7.649950         0.000000
Minimization converged after 15 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 7.868549896555785e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Au', 'Cu']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.724117064225601, -6.145680090503679e-34, 3.6624168067697804e-32], [-4.2986583828864915e-34, 2.724117064225601, 5.65177171248285e-17], [1.2328893410592374e-33, 7.670031417039334e-17, 3.802604668595793]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 4.69145637e-12  4.69145637e-12  7.86854990e-12 -3.10745975e-27
 -2.97477090e-34  9.22038723e-50]
energy per atom =  -3.8249773916535306
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0