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_ZhouJohnsonWadley_2004NISTretabulation_CuAgAu__MO_318213562153_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 11:10:55       -7.701285         0.514729
BFGS:    1 11:10:55       -7.709866         0.404802
BFGS:    2 11:10:55       -7.722292         0.098168
BFGS:    3 11:10:55       -7.722439         0.089393
BFGS:    4 11:10:55       -7.724638         0.112088
BFGS:    5 11:10:55       -7.728008         0.166391
BFGS:    6 11:10:55       -7.731466         0.163681
BFGS:    7 11:10:55       -7.734449         0.126952
BFGS:    8 11:10:55       -7.735933         0.055868
BFGS:    9 11:10:55       -7.736117         0.029725
BFGS:   10 11:10:55       -7.736199         0.000726
BFGS:   11 11:10:55       -7.736200         0.000210
BFGS:   12 11:10:55       -7.736200         0.000000
BFGS:   13 11:10:55       -7.736200         0.000000
Minimization converged after 13 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 9.536631614045145e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Au', 'Cu']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.7869566024117836, -1.0555689204016405e-36, -1.316471240436798e-32], [1.281862905745145e-34, 2.786956602411785, -2.436360711897374e-17], [1.782721519172451e-34, -2.6684941264690843e-17, 3.7146565633316304]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-6.66548585e-11 -6.66548585e-11 -9.53663161e-11  8.71733036e-27
  5.95307824e-34 -6.60009835e-50]
energy per atom =  -3.8680998195607867
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0