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 15:04:14      -61.018113        19.175110
BFGS:    1 15:04:14      -63.888007        18.981303
BFGS:    2 15:04:14      -66.692799        18.341419
BFGS:    3 15:04:14      -69.364878        17.189365
BFGS:    4 15:04:14      -71.821485        15.432609
BFGS:    5 15:04:14      -73.948429        12.765397
BFGS:    6 15:04:14      -75.596213         8.998216
BFGS:    7 15:04:14      -76.593155         4.008155
BFGS:    8 15:04:14      -76.762065         1.416877
BFGS:    9 15:04:14      -76.782147         0.124982
BFGS:   10 15:04:14      -76.782311         0.003456
BFGS:   11 15:04:14      -76.782311         0.000009
BFGS:   12 15:04:14      -76.782311         0.000000
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