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 16:36:35       -3.230497        0.0369
BFGS:    1 16:36:35       -3.230538        0.0365
BFGS:    2 16:36:35       -3.232351        0.0045
BFGS:    3 16:36:35       -3.232354        0.0035
BFGS:    4 16:36:35       -3.232354        0.0034
BFGS:    5 16:36:35       -3.232376        0.0023
BFGS:    6 16:36:35       -3.232394        0.0026
BFGS:    7 16:36:35       -3.232408        0.0031
BFGS:    8 16:36:35       -3.232411        0.0028
BFGS:    9 16:36:35       -3.232411        0.0027
BFGS:   10 16:36:35       -3.232412        0.0029
BFGS:   11 16:36:35       -3.232414        0.0032
BFGS:   12 16:36:35       -3.232418        0.0039
BFGS:   13 16:36:35       -3.232426        0.0043
BFGS:   14 16:36:35       -3.232456        0.0047
BFGS:   15 16:36:35       -3.232494        0.0049
BFGS:   16 16:36:35       -3.232532        0.0044
BFGS:   17 16:36:35       -3.232545        0.0025
BFGS:   18 16:36:35       -3.232546        0.0023
BFGS:   19 16:36:35       -3.232547        0.0023
BFGS:   20 16:36:35       -3.232547        0.0023
BFGS:   21 16:36:35       -3.232548        0.0023
BFGS:   22 16:36:35       -3.232549        0.0021
BFGS:   23 16:36:35       -3.232552        0.0015
BFGS:   24 16:36:35       -3.232555        0.0008
BFGS:   25 16:36:35       -3.232557        0.0005
BFGS:   26 16:36:35       -3.232558        0.0002
BFGS:   27 16:36:35       -3.232558        0.0000
BFGS:   28 16:36:35       -3.232558        0.0000
BFGS:   29 16:36:35       -3.232558        0.0000
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.