element(s):
['Se']
AFLOW prototype label:
A_hR1_166_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:
['4.0544605', '1.1720264']
model name:
SW_ZhouWardMartin_2013_CdTeZnSeHgS__MO_503261197030_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Se']
representative atom coordinates =  [[0 0 0]]
spacegroup =  166
cell =  [[4.0545, 0, 0], [-2.02725, 3.511299999644, 0], [0, 0, 4.7519]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 10:58:01       -0.281651        12.205931
BFGS:    1 10:58:01       -1.892870        10.110945
BFGS:    2 10:58:01       -3.222873         8.167822
BFGS:    3 10:58:01       -4.294453         6.335630
BFGS:    4 10:58:01       -5.102785         4.660837
BFGS:    5 10:58:01       -5.673356         3.146489
BFGS:    6 10:58:01       -6.031841         1.818284
BFGS:    7 10:58:02       -6.204190         0.682154
BFGS:    8 10:58:02       -6.229824         0.131158
BFGS:    9 10:58:02       -6.230176         0.078731
BFGS:   10 10:58:02       -6.230390         0.061896
BFGS:   11 10:58:02       -6.231293         0.111813
BFGS:   12 10:58:02       -6.232680         0.144896
BFGS:   13 10:58:02       -6.234540         0.132379
BFGS:   14 10:58:02       -6.235653         0.065124
BFGS:   15 10:58:02       -6.235923         0.014059
BFGS:   16 10:58:02       -6.235938         0.000879
BFGS:   17 10:58:02       -6.235938         0.000085
BFGS:   18 10:58:02       -6.235938         0.000004
BFGS:   19 10:58:03       -6.235938         0.000000
BFGS:   20 10:58:03       -6.235938         0.000000
Minimization converged after 20 steps.
Maximum force component: 2.1093444090109133e-31 eV/Angstrom
Maximum stress component: 1.001197966204839e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Se', 'Se', 'Se']
basis =  [[0.00000000e+00 0.00000000e+00 5.61515575e-32]
 [6.66666667e-01 3.33333333e-01 3.33333333e-01]
 [3.33333333e-01 6.66666667e-01 6.66666667e-01]]
cellpar =  Cell([[4.491236089968066, 6.3827966099550636e-18, 6.322405868173406e-17], [-2.245618044984033, 3.8895245483058383, 8.041346326788482e-17], [7.145455796427182e-17, 8.130207240403634e-16, 5.5006183669798165]])
forces =  [[ 1.35321411e-31 -1.06537981e-31  1.95867695e-31]
 [ 1.23019464e-31 -4.26151924e-32 -2.10934441e-31]
 [ 1.47623357e-31 -8.52303849e-32  2.10934441e-31]]
stress =  [-1.97277713e-12 -1.97277713e-12 -1.00119797e-11 -2.66705771e-27
 -9.58229006e-28 -1.68166347e-28]
energy per atom =  -2.078646096422225
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Prototype label changed during relaxation: test template prototype is A_hR1_166_a, while relaxed is A_cP1_221_a. Skipping parameter set 0.
No parameter sets in this group successfully added a property instance. Skipping this group.