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 15:00:33       -0.281651        12.205931
BFGS:    1 15:00:33       -1.892870        10.110945
BFGS:    2 15:00:34       -3.222873         8.167822
BFGS:    3 15:00:34       -4.294453         6.335630
BFGS:    4 15:00:34       -5.102785         4.660837
BFGS:    5 15:00:34       -5.673356         3.146489
BFGS:    6 15:00:34       -6.031841         1.818284
BFGS:    7 15:00:34       -6.204190         0.682154
BFGS:    8 15:00:34       -6.229824         0.131158
BFGS:    9 15:00:34       -6.230176         0.078731
BFGS:   10 15:00:34       -6.230390         0.061896
BFGS:   11 15:00:34       -6.231293         0.111813
BFGS:   12 15:00:34       -6.232680         0.144896
BFGS:   13 15:00:34       -6.234540         0.132379
BFGS:   14 15:00:34       -6.235653         0.065124
BFGS:   15 15:00:34       -6.235923         0.014059
BFGS:   16 15:00:34       -6.235938         0.000879
BFGS:   17 15:00:34       -6.235938         0.000085
BFGS:   18 15:00:34       -6.235938         0.000004
BFGS:   19 15:00:34       -6.235938         0.000000
BFGS:   20 15:00:34       -6.235938         0.000000
Minimization converged after 20 steps.
Maximum force component: 7.381167848944763e-32 eV/Angstrom
Maximum stress component: 1.0011995186613445e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Se', 'Se', 'Se']
basis =  [[8.08226838e-33 1.29770950e-33 5.92330454e-32]
 [6.66666667e-01 3.33333333e-01 3.33333333e-01]
 [3.33333333e-01 6.66666667e-01 6.66666667e-01]]
cellpar =  Cell([[4.491236089968067, 1.7887652724854817e-17, 6.322405868173397e-17], [-2.2456180449840333, 3.889524548305837, 8.041346326788463e-17], [7.14545579642718e-17, 8.130207240403631e-16, 5.500618366979817]])
forces =  [[1.23019464e-32 2.13075962e-32 3.76668644e-32]
 [7.38116785e-32 1.96418548e-48 1.13000593e-32]
 [2.46038928e-32 4.26151924e-32 3.76668644e-32]]
stress =  [-1.97281336e-12 -1.97281336e-12 -1.00119952e-11 -2.66705797e-27
 -9.58231835e-28 -1.86713950e-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.