element(s):
['Au']
AFLOW prototype label:
A_cF4_225_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.134']
model name:
EMT_Asap_Standard_JacobsenStoltzeNorskov_1996_AlAgAuCuNiPdPt__MO_115316750986_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Au']
representative atom coordinates =  [[0 0 0]]
spacegroup =  225
cell =  [[4.134, 0, 0], [0, 4.134, 0], [0, 0, 4.134]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:04:06      -15.090154         0.936683
BFGS:    1 15:04:06      -15.124788         0.787624
BFGS:    2 15:04:06      -15.197569         0.164924
BFGS:    3 15:04:06      -15.200503         0.018558
BFGS:    4 15:04:06      -15.200540         0.000372
BFGS:    5 15:04:06      -15.200540         0.000001
BFGS:    6 15:04:06      -15.200540         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.114505190939065e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Au', 'Au', 'Au', 'Au']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [4.21720735e-50 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[4.05616625713853, -8.41732002864611e-34, -4.006910018732088e-33], [1.804385948196923e-33, 4.05616625713853, 3.6263157986615894e-21], [-3.159674025227933e-34, 3.626315798654012e-21, 4.05616625713853]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-2.11450519e-12 -2.11450519e-12 -2.11450519e-12 -4.87846790e-28
 -2.43875264e-37 -8.50176818e-54]
energy per atom =  -3.8001349502817554
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0