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 16:36:34       -3.167750        0.0208
BFGS:    1 16:36:34       -3.167760        0.0206
BFGS:    2 16:36:34       -3.168247        0.0032
BFGS:    3 16:36:34       -3.168248        0.0036
BFGS:    4 16:36:34       -3.168249        0.0036
BFGS:    5 16:36:34       -3.168259        0.0034
BFGS:    6 16:36:34       -3.168271        0.0036
BFGS:    7 16:36:35       -3.168289        0.0045
BFGS:    8 16:36:35       -3.168300        0.0038
BFGS:    9 16:36:35       -3.168302        0.0032
BFGS:   10 16:36:35       -3.168303        0.0033
BFGS:   11 16:36:35       -3.168304        0.0025
BFGS:   12 16:36:35       -3.167318        0.0295
BFGS:   13 16:36:35       -3.168307        0.0022
BFGS:   14 16:36:35       -3.168309        0.0022
BFGS:   15 16:36:35       -3.168417        0.0040
BFGS:   16 16:36:35       -3.168441        0.0026
BFGS:   17 16:36:35       -3.168445        0.0024
BFGS:   18 16:36:35       -3.168446        0.0025
BFGS:   19 16:36:35       -3.168446        0.0026
BFGS:   20 16:36:35       -3.168447        0.0025
BFGS:   21 16:36:35       -3.168448        0.0020
BFGS:   22 16:36:35       -3.168449        0.0016
BFGS:   23 16:36:35       -3.168450        0.0017
BFGS:   24 16:36:35       -3.168450        0.0016
BFGS:   25 16:36:35       -3.168450        0.0015
BFGS:   26 16:36:35       -3.168451        0.0013
BFGS:   27 16:36:35       -3.168452        0.0014
BFGS:   28 16:36:35       -3.168453        0.0011
BFGS:   29 16:36:35       -3.168454        0.0005
BFGS:   30 16:36:35       -3.168454        0.0001
BFGS:   31 16:36:35       -3.168454        0.0000
BFGS:   32 16:36:35       -3.168454        0.0000
BFGS:   33 16:36:35       -3.168454        0.0000
BFGS:   34 16:36:35       -3.168454        0.0000
Minimization converged after 34 steps.
Maximum force component: 8.083453727288517e-11 eV/Angstrom
Maximum stress component: 7.268991957974136e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cs', 'Cs', 'Cs', 'Cs']
basis =  [[2.25694915e-36 6.66666666e-01 2.50000000e-01]
 [1.50237132e-36 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([[5.430974668358225, -8.703037313801985e-38, 0.0], [-3.817036798529865e-37, 9.406724064207529, 0.0], [0.0, 0.0, 8.882072047257912]])
forces =  [[-6.27580604e-33  8.08345373e-11 -1.36849988e-32]
 [ 4.18387070e-33 -8.08345373e-11  1.36849988e-32]
 [ 4.18387070e-33  8.08345373e-11  0.00000000e+00]
 [-6.27580604e-33 -8.08345373e-11  0.00000000e+00]]
stress =  [ 7.26899196e-12  6.78266631e-12 -5.30008022e-12  0.00000000e+00
  0.00000000e+00 -3.01588162e-35]
energy per atom =  -0.7921135605744313
===============================================
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.