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 15:48:17       -3.230497         0.036869
BFGS:    1 15:48:17       -3.230538         0.036485
BFGS:    2 15:48:17       -3.232351         0.004512
BFGS:    3 15:48:17       -3.232354         0.003493
BFGS:    4 15:48:17       -3.232354         0.003409
BFGS:    5 15:48:17       -3.232376         0.002250
BFGS:    6 15:48:17       -3.232394         0.002619
BFGS:    7 15:48:17       -3.232408         0.003131
BFGS:    8 15:48:17       -3.232411         0.002797
BFGS:    9 15:48:17       -3.232411         0.002726
BFGS:   10 15:48:17       -3.232412         0.002914
BFGS:   11 15:48:17       -3.232414         0.003155
BFGS:   12 15:48:17       -3.232418         0.003891
BFGS:   13 15:48:17       -3.232426         0.004264
BFGS:   14 15:48:17       -3.232456         0.004745
BFGS:   15 15:48:17       -3.232494         0.004891
BFGS:   16 15:48:17       -3.232532         0.004411
BFGS:   17 15:48:17       -3.232545         0.002475
BFGS:   18 15:48:17       -3.232546         0.002255
BFGS:   19 15:48:17       -3.232547         0.002339
BFGS:   20 15:48:17       -3.232547         0.002350
BFGS:   21 15:48:17       -3.232548         0.002296
BFGS:   22 15:48:17       -3.232549         0.002075
BFGS:   23 15:48:17       -3.232552         0.001505
BFGS:   24 15:48:17       -3.232555         0.000827
BFGS:   25 15:48:17       -3.232557         0.000503
BFGS:   26 15:48:17       -3.232558         0.000181
BFGS:   27 15:48:17       -3.232558         0.000005
BFGS:   28 15:48:17       -3.232558         0.000001
BFGS:   29 15:48:17       -3.232558         0.000000
Minimization converged after 29 steps.
Maximum force component: 1.2279284376289885e-09 eV/Angstrom
Maximum stress component: 8.415315248701329e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cs', 'Cs', 'Cs', 'Cs']
basis =  [[3.09167358e-53 6.66666664e-01 2.50000000e-01]
 [6.03108097e-38 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([[5.403151072899231, 8.66111758232004e-38, 0.0], [1.0413554302133443e-37, 9.358532220095293, 0.0], [0.0, 0.0, 8.833070016221651]])
forces =  [[ 4.16243618e-33  1.22792844e-09  2.72189985e-32]
 [-4.16243618e-33 -1.22792844e-09 -2.72189985e-32]
 [ 5.20304522e-33  1.22792844e-09  1.36094992e-32]
 [-5.20304522e-33 -1.22792844e-09 -1.36094992e-32]]
stress =  [-3.51451194e-11 -5.75382403e-11 -8.41531525e-11  0.00000000e+00
  0.00000000e+00 -1.52967062e-48]
energy per atom =  -0.8081394041128419
===============================================
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.