element(s):
['Cs']
AFLOW prototype label:
A_oP4_62_c
Parameter names:
['a', 'b/a', 'c/a', 'x1', 'z1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['10.8341', '0.7224781', '0.50089071', '0.87502512', '0.74006122']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cs']
representative atom coordinates =  [[0.87502512 0.25       0.74006122]]
spacegroup =  62
cell =  [[10.8341, 0, 0], [0, 7.8274, 0], [0, 0, 5.4267]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 17:15:56       -9.345884         3.453149
BFGS:    1 17:15:56       -9.858025         3.556970
BFGS:    2 17:15:56      -10.386778         3.625187
BFGS:    3 17:15:56      -10.920249         3.654116
BFGS:    4 17:15:56      -11.452165         3.638013
BFGS:    5 17:15:56      -11.971645         3.540904
BFGS:    6 17:15:56      -12.465657         3.350947
BFGS:    7 17:15:56      -12.918719         3.045631
BFGS:    8 17:15:56      -13.310685         2.584227
BFGS:    9 17:15:56      -13.615671         1.926854
BFGS:   10 17:15:56      -13.807415         1.053927
BFGS:   11 17:15:56      -13.857687         0.332372
BFGS:   12 17:15:56      -13.861436         0.153826
BFGS:   13 17:15:56      -13.862765         0.155527
BFGS:   14 17:15:56      -13.872166         0.095765
BFGS:   15 17:15:56      -13.872502         0.066003
BFGS:   16 17:15:56      -13.872880         0.091100
BFGS:   17 17:15:56      -13.873350         0.102428
BFGS:   18 17:15:56      -13.873789         0.070047
BFGS:   19 17:15:56      -13.873958         0.036641
BFGS:   20 17:15:56      -13.873995         0.019407
BFGS:   21 17:15:56      -13.874008         0.016877
BFGS:   22 17:15:56      -13.874017         0.008016
BFGS:   23 17:15:56      -13.874019         0.002583
BFGS:   24 17:15:56      -13.874020         0.001246
BFGS:   25 17:15:56      -13.874020         0.001071
BFGS:   26 17:15:56      -13.874020         0.001106
BFGS:   27 17:15:56      -13.874020         0.000827
BFGS:   28 17:15:56      -13.874020         0.000291
BFGS:   29 17:15:56      -13.874020         0.000036
BFGS:   30 17:15:56      -13.874020         0.000001
BFGS:   31 17:15:56      -13.874020         0.000000
BFGS:   32 17:15:56      -13.874020         0.000000
Minimization converged after 32 steps.
Maximum force component: 2.4792707047686344e-10 eV/Angstrom
Maximum stress component: 3.6273238312428123e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cs', 'Cs', 'Cs', 'Cs']
basis =  [[0.875 0.25  0.75 ]
 [0.625 0.75  0.25 ]
 [0.125 0.75  0.25 ]
 [0.375 0.25  0.75 ]]
cellpar =  Cell([[9.491188870636794, 2.1230936168554336e-36, 0.0], [-1.5643510343728109e-34, 6.7112840120763035, 0.0], [0.0, 0.0, 4.745594435266182]])
forces =  [[-1.40744277e-10  8.27229622e-32  2.47927070e-10]
 [ 1.40744277e-10  1.65445924e-31  2.47927070e-10]
 [ 1.40744277e-10  8.27229622e-32 -2.47927070e-10]
 [-1.40744277e-10 -8.27229622e-32 -2.47927070e-10]]
stress =  [3.40744659e-11 3.62732383e-11 2.74939044e-11 0.00000000e+00
 0.00000000e+00 3.71499508e-46]
energy per atom =  -3.468505032472034
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Prototype label changed during relaxation: test template prototype is A_oP4_62_c, while relaxed is A_cF4_225_a. Skipping parameter set 0.
No parameter sets in this group successfully added a property instance. Skipping this group.