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_1959LowCutoff_Cs__MO_256406354561_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 16:36:34       -2.849351        0.0710
BFGS:    1 16:36:34       -2.849532        0.0700
BFGS:    2 16:36:34       -2.855653        0.0408
BFGS:    3 16:36:34       -2.856948        0.0098
BFGS:    4 16:36:34       -2.856974        0.0101
BFGS:    5 16:36:34       -2.856978        0.0104
BFGS:    6 16:36:34       -2.857009        0.0117
BFGS:    7 16:36:34       -2.857054        0.0115
BFGS:    8 16:36:34       -2.857129        0.0081
BFGS:    9 16:36:34       -2.857181        0.0043
BFGS:   10 16:36:34       -2.857198        0.0028
BFGS:   11 16:36:34       -2.857200        0.0019
BFGS:   12 16:36:34       -2.857200        0.0019
BFGS:   13 16:36:34       -2.857201        0.0019
BFGS:   14 16:36:34       -2.857204        0.0019
BFGS:   15 16:36:34       -2.857210        0.0026
BFGS:   16 16:36:34       -2.857226        0.0037
BFGS:   17 16:36:34       -2.857260        0.0046
BFGS:   18 16:36:34       -2.857311        0.0056
BFGS:   19 16:36:34       -2.857357        0.0045
BFGS:   20 16:36:34       -2.857373        0.0023
BFGS:   21 16:36:34       -2.857375        0.0013
BFGS:   22 16:36:34       -2.857375        0.0013
BFGS:   23 16:36:34       -2.857375        0.0013
BFGS:   24 16:36:34       -2.857375        0.0013
BFGS:   25 16:36:34       -2.857376        0.0011
BFGS:   26 16:36:34       -2.857377        0.0008
BFGS:   27 16:36:34       -2.857378        0.0003
BFGS:   28 16:36:34       -2.857379        0.0002
BFGS:   29 16:36:34       -2.857379        0.0001
BFGS:   30 16:36:34       -2.857379        0.0000
BFGS:   31 16:36:34       -2.857379        0.0000
BFGS:   32 16:36:34       -2.857379        0.0000
Minimization converged after 32 steps.
Maximum force component: 6.984314901347408e-09 eV/Angstrom
Maximum stress component: 6.574306146842267e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cs', 'Cs', 'Cs', 'Cs']
basis =  [[2.48635422e-36 6.66666684e-01 2.50000000e-01]
 [2.50902898e-36 3.33333316e-01 7.50000000e-01]
 [5.00000000e-01 1.66666684e-01 2.50000000e-01]
 [5.00000000e-01 8.33333316e-01 7.50000000e-01]]
cellpar =  Cell([[5.550393859364921, -5.999754921713193e-38, 0.0], [-1.000937668824784e-37, 9.613563799979737, 0.0], [0.0, 0.0, 9.118754800347743]])
forces =  [[-2.13793395e-33 -6.98431490e-09  0.00000000e+00]
 [-1.06896697e-33  6.98431490e-09  1.75620829e-33]
 [ 1.60345046e-33 -6.98431490e-09  0.00000000e+00]
 [-2.13793395e-33  6.98431490e-09  0.00000000e+00]]
stress =  [6.57430615e-11 3.55201814e-11 5.24303361e-12 0.00000000e+00
 0.00000000e+00 3.60937720e-36]
energy per atom =  -0.714344780802448
===============================================
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.