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_StarikovGordeevLysogorskiy_2020_SiAuAl__SM_113843830602_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 16:48:45      -15.439899        0.2290
BFGS:    1 16:48:45      -15.441789        0.1666
BFGS:    2 16:48:45      -15.444676        0.0510
BFGS:    3 16:48:45      -15.444899        0.0016
BFGS:    4 16:48:45      -15.444899        0.0015
BFGS:    5 16:48:45      -15.444758        0.0347
BFGS:    6 16:48:45      -15.444900        0.0012
BFGS:    7 16:48:45      -15.444900        0.0007
BFGS:    8 16:48:45      -15.444900        0.0004
BFGS:    9 16:48:45      -15.444900        0.0001
BFGS:   10 16:48:45      -15.444900        0.0000
BFGS:   11 16:48:45      -15.444900        0.0000
BFGS:   12 16:48:45      -15.444900        0.0000
Minimization converged after 12 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.702974218863253e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Au', 'Au', 'Au', 'Au']
basis =  [[0.0000000e+00 0.0000000e+00 0.0000000e+00]
 [3.2975711e-49 5.0000000e-01 5.0000000e-01]
 [5.0000000e-01 0.0000000e+00 5.0000000e-01]
 [5.0000000e-01 5.0000000e-01 0.0000000e+00]]
cellpar =  Cell([[4.149889387160735, 2.500291756918589e-32, -1.1452191457758213e-32], [-9.156146995283259e-33, 4.149889387160735, 4.786504529253156e-19], [-2.5780251631073374e-32, 4.786504529253224e-19, 4.149889387160735]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 5.70297422e-13  5.70297422e-13  5.70297422e-13 -5.73001699e-29
  7.45548987e-36 -2.20170955e-52]
energy per atom =  -3.8612250340772203
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0