element(s):
['Hg']
AFLOW prototype label:
A_mC2_12_a
Parameter names:
['a', 'b/a', 'c/a', 'beta']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.6572', '0.63363501', '0.74994697', '137.8576']
model name:
SW_ZhouWardMartin_2013_CdTeZnSeHgS__MO_503261197030_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Hg']
representative atom coordinates =  [[0 0 0]]
spacegroup =  12
cell =  [[5.7286, 0, 0], [0, 3.5846, 0], [-2.5510226684059, 0, 2.8111667604892]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 17:05:18       -0.747891         2.000625
BFGS:    1 17:05:18       -0.885926         1.929959
BFGS:    2 17:05:18       -1.055821         1.189674
BFGS:    3 17:05:18       -1.085093         0.728948
BFGS:    4 17:05:18       -1.096003         0.280388
BFGS:    5 17:05:18       -1.098093         0.220436
BFGS:    6 17:05:18       -1.110806         0.453005
BFGS:    7 17:05:18       -1.114698         0.328667
BFGS:    8 17:05:19       -1.122947         0.479145
BFGS:    9 17:05:19       -1.131376         0.653786
BFGS:   10 17:05:19       -1.145189         0.821319
BFGS:   11 17:05:19       -1.159179         1.005404
BFGS:   12 17:05:19       -1.171489         1.075321
BFGS:   13 17:05:19       -1.181409         0.972395
BFGS:   14 17:05:19       -1.193886         0.740624
BFGS:   15 17:05:20       -1.204552         0.332823
BFGS:   16 17:05:20       -1.207924         0.261735
BFGS:   17 17:05:20       -1.211637         0.131403
BFGS:   18 17:05:20       -1.211985         0.013949
BFGS:   19 17:05:20       -1.211998         0.002304
BFGS:   20 17:05:20       -1.211999         0.000093
BFGS:   21 17:05:21       -1.211999         0.000012
BFGS:   22 17:05:21       -1.211999         0.000000
BFGS:   23 17:05:21       -1.211999         0.000000
Minimization converged after 23 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.1802107465212023e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Hg', 'Hg']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 2.68994669e-16]]
cellpar =  Cell([[5.616122755652192, -8.437062741477499e-16, 0.6483379405234901], [-5.653543870041643e-17, 3.2640045382330585, 2.0366242230215869e-16], [-2.1776703545247273, 2.950812674607081e-16, 2.4313530088823336]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 1.18021075e-10 -3.70573871e-11 -7.11748534e-11 -7.96621152e-26
  1.01789381e-13 -6.69064070e-27]
energy per atom =  -0.605999263306781
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Prototype label changed during relaxation: test template prototype is A_mC2_12_a, while relaxed is A_cF4_225_a. Skipping parameter set 0.
No parameter sets in this group successfully added a property instance. Skipping this group.