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:
Sim_LAMMPS_ADP_StarikovLopanitsynaSmirnova_2018_SiAu__SM_985135773293_000
==== 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 16:48:44      -15.603354        0.0748
BFGS:    1 16:48:44      -15.603592        0.0737
BFGS:    2 16:48:44      -15.609687        0.0149
BFGS:    3 16:48:44      -15.609723        0.0111
BFGS:    4 16:48:44      -15.609788        0.0007
BFGS:    5 16:48:44      -15.609788        0.0000
BFGS:    6 16:48:44      -15.609788        0.0000
BFGS:    7 16:48:44      -15.609788        0.0000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.823442982852609e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Au', 'Au', 'Au', 'Au']
basis =  [[0.  0.  0. ]
 [0.  0.5 0.5]
 [0.5 0.  0.5]
 [0.5 0.5 0. ]]
cellpar =  Cell([[4.182049510344468, 1.0743993561249747e-32, -7.854758580776076e-33], [1.77436683755344e-32, 4.182049510344468, -3.344725198613989e-19], [1.5336565864617775e-33, -3.344725198613999e-19, 4.182049510344468]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.82344298e-12 -1.82344298e-12 -1.82344298e-12 -1.07326676e-28
  3.55592511e-36  1.79186426e-52]
energy per atom =  -3.9024470373933844
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0