element(s):
['Hg']
AFLOW prototype label:
A_tI2_139_a
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.8678', '0.95715911']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Hg']
representative atom coordinates =  [[0 0 0]]
spacegroup =  139
cell =  [[3.8678, 0, 0], [0, 3.8678, 0], [0, 0, 3.7021]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 17:21:40       -0.251742         0.230650
BFGS:    1 17:21:40       -0.254008         0.232753
BFGS:    2 17:21:40       -0.291015         0.267537
BFGS:    3 17:21:40       -0.333295         0.304975
BFGS:    4 17:21:41       -0.381296         0.344153
BFGS:    5 17:21:41       -0.435075         0.382622
BFGS:    6 17:21:41       -0.494116         0.416041
BFGS:    7 17:21:41       -0.556964         0.434180
BFGS:    8 17:21:41       -0.620408         0.425501
BFGS:    9 17:21:41       -0.678025         0.355327
BFGS:   10 17:21:41       -0.717282         0.174950
BFGS:   11 17:21:41       -0.719723         0.163454
BFGS:   12 17:21:41       -0.723565         0.039616
BFGS:   13 17:21:41       -0.723680         0.019353
BFGS:   14 17:21:41       -0.723688         0.015964
BFGS:   15 17:21:41       -0.723707         0.013861
BFGS:   16 17:21:41       -0.723770         0.022504
BFGS:   17 17:21:41       -0.723925         0.053252
BFGS:   18 17:21:41       -0.724108         0.051024
BFGS:   19 17:21:41       -0.724908         0.049701
BFGS:   20 17:21:41       -0.725131         0.023380
BFGS:   21 17:21:41       -0.725226         0.002403
BFGS:   22 17:21:41       -0.725227         0.000175
BFGS:   23 17:21:41       -0.725227         0.000051
BFGS:   24 17:21:41       -0.725227         0.000007
BFGS:   25 17:21:41       -0.725227         0.000000
BFGS:   26 17:21:41       -0.725227         0.000000
Minimization converged after 26 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.465787260332948e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Hg', 'Hg']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.0209880204399457, 8.983406406347778e-34, -1.610760927777635e-34], [4.757090973122871e-34, 3.0209880204399475, -7.456531006277513e-19], [5.567825951141159e-35, -7.997152961702688e-19, 2.6870295515790827]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.46578726e-10 -1.46578726e-10  1.05294589e-10  2.46957575e-27
  2.66914128e-35 -8.18964912e-53]
energy per atom =  -0.3626132842574118
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0