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:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== 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 16:48:56      -61.018113       19.1751
BFGS:    1 16:48:56      -63.888007       18.9813
BFGS:    2 16:48:56      -66.692799       18.3414
BFGS:    3 16:48:56      -69.364878       17.1894
BFGS:    4 16:48:56      -71.821485       15.4326
BFGS:    5 16:48:56      -73.948429       12.7654
BFGS:    6 16:48:56      -75.596213        8.9982
BFGS:    7 16:48:56      -76.593155        4.0082
BFGS:    8 16:48:56      -76.762065        1.4169
BFGS:    9 16:48:56      -76.782147        0.1250
BFGS:   10 16:48:56      -76.782311        0.0035
BFGS:   11 16:48:56      -76.782311        0.0000
BFGS:   12 16:48:56      -76.782311        0.0000
Minimization converged after 12 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.244518640422075e-11 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([[3.740705050086598, -7.765498183788678e-33, 2.1472887852926995e-33], [-1.2799415186470224e-32, 3.740705050086598, -1.3181093015889583e-17], [1.4856118099756564e-33, -1.3181093015889585e-17, 3.740705050086598]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 4.24451864e-11  4.24451864e-11  4.24451864e-11  5.16890384e-28
  4.55117957e-33 -2.07732290e-49]
energy per atom =  -19.195577659579815
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0