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_1959MedCutoff_Cs__MO_999639780744_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 16:47:41       -3.167750         0.020838
BFGS:    1 16:47:41       -3.167760         0.020623
BFGS:    2 16:47:41       -3.168247         0.003183
BFGS:    3 16:47:41       -3.168248         0.003580
BFGS:    4 16:47:41       -3.168249         0.003604
BFGS:    5 16:47:41       -3.168259         0.003401
BFGS:    6 16:47:41       -3.168271         0.003554
BFGS:    7 16:47:41       -3.168289         0.004527
BFGS:    8 16:47:41       -3.168300         0.003791
BFGS:    9 16:47:41       -3.168302         0.003241
BFGS:   10 16:47:41       -3.168303         0.003270
BFGS:   11 16:47:41       -3.168304         0.002546
BFGS:   12 16:47:41       -3.167318         0.029450
BFGS:   13 16:47:41       -3.168307         0.002201
BFGS:   14 16:47:41       -3.168309         0.002195
BFGS:   15 16:47:41       -3.168417         0.003992
BFGS:   16 16:47:41       -3.168441         0.002645
BFGS:   17 16:47:41       -3.168445         0.002398
BFGS:   18 16:47:41       -3.168446         0.002539
BFGS:   19 16:47:41       -3.168446         0.002599
BFGS:   20 16:47:41       -3.168447         0.002483
BFGS:   21 16:47:41       -3.168448         0.002019
BFGS:   22 16:47:41       -3.168449         0.001555
BFGS:   23 16:47:41       -3.168450         0.001692
BFGS:   24 16:47:41       -3.168450         0.001649
BFGS:   25 16:47:41       -3.168450         0.001536
BFGS:   26 16:47:41       -3.168451         0.001290
BFGS:   27 16:47:41       -3.168452         0.001366
BFGS:   28 16:47:41       -3.168453         0.001072
BFGS:   29 16:47:41       -3.168454         0.000461
BFGS:   30 16:47:41       -3.168454         0.000097
BFGS:   31 16:47:41       -3.168454         0.000018
BFGS:   32 16:47:41       -3.168454         0.000001
BFGS:   33 16:47:41       -3.168454         0.000000
BFGS:   34 16:47:41       -3.168454         0.000000
Minimization converged after 34 steps.
Maximum force component: 8.083458186030247e-11 eV/Angstrom
Maximum stress component: 7.268987098035915e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cs', 'Cs', 'Cs', 'Cs']
basis =  [[2.36938450e-37 6.66666666e-01 2.50000000e-01]
 [8.41204176e-38 3.33333334e-01 7.50000000e-01]
 [5.00000000e-01 1.66666666e-01 2.50000000e-01]
 [5.00000000e-01 8.33333334e-01 7.50000000e-01]]
cellpar =  Cell([[5.430974668358222, -1.873640285339161e-37, 0.0], [-4.822926129769537e-38, 9.406724064207529, 0.0], [0.0, 0.0, 8.882072047257912]])
forces =  [[-2.35342727e-33  8.08345819e-11  0.00000000e+00]
 [ 4.14447383e-49 -8.08345819e-11  0.00000000e+00]
 [-5.22983837e-34  8.08345819e-11  0.00000000e+00]
 [ 4.14447383e-49 -8.08345819e-11  0.00000000e+00]]
stress =  [ 7.26898710e-12  6.78265707e-12 -5.30008727e-12  0.00000000e+00
  0.00000000e+00 -7.53970406e-36]
energy per atom =  -0.7921135605744322
===============================================
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.