element(s):
['Cs']
AFLOW prototype label:
A_oC4_63_c
Parameter names:
['a', 'b/a', 'c/a', 'y1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.4396', '1.7485477', '1.6329142', '0.66118538']
model name:
Morse_Shifted_GirifalcoWeizer_1959HighCutoff_Cs__MO_187111446479_004
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cs']
representative atom coordinates =  [[0.         0.66118538 0.25      ]]
spacegroup =  63
cell =  [[5.4396, 0, 0], [0, 9.5114, 0], [0, 0, 8.8824]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 17:42:10       -3.230497         0.036869
BFGS:    1 17:42:10       -3.230538         0.036485
BFGS:    2 17:42:10       -3.232351         0.004512
BFGS:    3 17:42:11       -3.232354         0.003493
BFGS:    4 17:42:11       -3.232354         0.003409
BFGS:    5 17:42:11       -3.232376         0.002250
BFGS:    6 17:42:11       -3.232394         0.002619
BFGS:    7 17:42:11       -3.232408         0.003131
BFGS:    8 17:42:11       -3.232411         0.002797
BFGS:    9 17:42:12       -3.232411         0.002726
BFGS:   10 17:42:12       -3.232412         0.002914
BFGS:   11 17:42:12       -3.232414         0.003155
BFGS:   12 17:42:12       -3.232418         0.003891
BFGS:   13 17:42:12       -3.232426         0.004264
BFGS:   14 17:42:12       -3.232456         0.004745
BFGS:   15 17:42:13       -3.232494         0.004891
BFGS:   16 17:42:13       -3.232532         0.004411
BFGS:   17 17:42:13       -3.232545         0.002475
BFGS:   18 17:42:13       -3.232546         0.002255
BFGS:   19 17:42:13       -3.232547         0.002339
BFGS:   20 17:42:13       -3.232547         0.002350
BFGS:   21 17:42:14       -3.232548         0.002296
BFGS:   22 17:42:14       -3.232549         0.002075
BFGS:   23 17:42:14       -3.232552         0.001505
BFGS:   24 17:42:14       -3.232555         0.000827
BFGS:   25 17:42:14       -3.232557         0.000503
BFGS:   26 17:42:15       -3.232558         0.000181
BFGS:   27 17:42:15       -3.232558         0.000005
BFGS:   28 17:42:15       -3.232558         0.000001
BFGS:   29 17:42:15       -3.232558         0.000000
Minimization converged after 29 steps.
Maximum force component: 1.2279280782310627e-09 eV/Angstrom
Maximum stress component: 8.415316337574043e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cs', 'Cs', 'Cs', 'Cs']
basis =  [[0.00000000e+00 6.66666664e-01 2.50000000e-01]
 [1.93439052e-37 3.33333336e-01 7.50000000e-01]
 [5.00000000e-01 1.66666664e-01 2.50000000e-01]
 [5.00000000e-01 8.33333336e-01 7.50000000e-01]]
cellpar =  Cell([[5.403151072899232, -8.325544742908961e-39, 0.0], [2.208099787115215e-37, 9.358532220095288, 0.0], [0.0, 0.0, 8.833070016221647]])
forces =  [[ 8.32487236e-33  1.22792808e-09 -1.36094992e-32]
 [-2.89723609e-47 -1.22792808e-09  1.36094992e-32]
 [ 4.16243618e-33  1.22792808e-09 -2.72189985e-32]
 [-2.08121809e-33 -1.22792808e-09  2.72189985e-32]]
stress =  [-3.51451260e-11 -5.75382431e-11 -8.41531634e-11  0.00000000e+00
  0.00000000e+00 -3.24352792e-48]
energy per atom =  -0.8081394041128411
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Prototype label changed during relaxation: test template prototype is A_oC4_63_c, while relaxed is A_hP2_194_c. Skipping parameter set 0.
No parameter sets in this group successfully added a property instance. Skipping this group.