element(s):
['Au', 'Cu']
AFLOW prototype label:
A3B_cP4_221_c_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.047']
model name:
EAM_Dynamo_ZhouJohnsonWadley_2004NISTretabulation_CuAgAu__MO_318213562153_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Au', 'Cu']
representative atom coordinates =  [[0.  0.5 0.5]
 [0.  0.  0. ]]
spacegroup =  221
cell =  [[4.047, 0, 0], [0, 4.047, 0], [0, 0, 4.047]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 16:07:04      -15.624535        0.7894
BFGS:    1 16:07:04      -15.649267        0.6720
BFGS:    2 16:07:04      -15.708710        0.1099
BFGS:    3 16:07:04      -15.710228        0.0068
BFGS:    4 16:07:04      -15.710234        0.0001
BFGS:    5 16:07:04      -15.710234        0.0000
BFGS:    6 16:07:04      -15.710234        0.0000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.787252509422281e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Au', 'Au', 'Au', 'Cu']
basis =  [[1.72103265e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.98691018e-36 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 9.46147704e-38]
 [0.00000000e+00 0.00000000e+00 0.00000000e+00]]
cellpar =  Cell([[3.9756814994636867, -2.0759617539065344e-33, -7.931234436092546e-33], [6.257172957220706e-33, 3.9756814994636867, -3.389714388095209e-21], [7.727543669884818e-33, -3.3897143881118306e-21, 3.9756814994636867]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-4.78725251e-15 -4.78725251e-15 -4.78725251e-15 -3.47881858e-32
  1.21847694e-35  8.24183761e-53]
energy per atom =  -3.9275584066378686
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0