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 16:19:43       -0.747891        2.0006
BFGS:    1 16:19:43       -0.885926        1.9300
BFGS:    2 16:19:44       -1.055821        1.1897
BFGS:    3 16:19:44       -1.085093        0.7289
BFGS:    4 16:19:44       -1.096003        0.2804
BFGS:    5 16:19:44       -1.098093        0.2204
BFGS:    6 16:19:44       -1.110806        0.4530
BFGS:    7 16:19:44       -1.114698        0.3287
BFGS:    8 16:19:44       -1.122947        0.4791
BFGS:    9 16:19:44       -1.131376        0.6538
BFGS:   10 16:19:44       -1.145189        0.8213
BFGS:   11 16:19:44       -1.159179        1.0054
BFGS:   12 16:19:44       -1.171489        1.0753
BFGS:   13 16:19:44       -1.181409        0.9724
BFGS:   14 16:19:44       -1.193886        0.7406
BFGS:   15 16:19:44       -1.204552        0.3328
BFGS:   16 16:19:44       -1.207924        0.2617
BFGS:   17 16:19:44       -1.211637        0.1314
BFGS:   18 16:19:44       -1.211985        0.0139
BFGS:   19 16:19:44       -1.211998        0.0023
BFGS:   20 16:19:44       -1.211999        0.0001
BFGS:   21 16:19:44       -1.211999        0.0000
BFGS:   22 16:19:44       -1.211999        0.0000
BFGS:   23 16:19:44       -1.211999        0.0000
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.