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:
Sim_LAMMPS_EIM_Zhou_2010_BrClCsFIKLiNaRb__SM_259779394709_000
==== 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 17:04:08       -0.308297        0.6042
BFGS:    1 17:04:08       -0.323511        0.6253
BFGS:    2 17:04:08       -0.422433        0.7524
BFGS:    3 17:04:08       -0.540545        0.8847
BFGS:    4 17:04:08       -0.678482        1.0171
BFGS:    5 17:04:08       -0.836139        1.1441
BFGS:    6 17:04:08       -1.012592        1.2600
BFGS:    7 17:04:08       -1.206073        1.3663
BFGS:    8 17:04:08       -1.413987        1.4594
BFGS:    9 17:04:08       -1.632973        1.5277
BFGS:   10 17:04:08       -1.858971        1.5666
BFGS:   11 17:04:08       -2.087272        1.5719
BFGS:   12 17:04:08       -2.312517        1.5393
BFGS:   13 17:04:08       -2.528684        1.4634
BFGS:   14 17:04:09       -2.727340        1.3376
BFGS:   15 17:04:09       -2.900262        1.1528
BFGS:   16 17:04:09       -3.038121        0.8967
BFGS:   17 17:04:09       -3.129780        0.5538
BFGS:   18 17:04:09       -3.163375        0.1178
BFGS:   19 17:04:09       -3.163816        0.1074
BFGS:   20 17:04:09       -3.170091        0.0744
BFGS:   21 17:04:09       -3.170640        0.0431
BFGS:   22 17:04:09       -3.170852        0.0569
BFGS:   23 17:04:09       -3.171136        0.0692
BFGS:   24 17:04:09       -3.171719        0.0701
BFGS:   25 17:04:09       -3.172338        0.0680
BFGS:   26 17:04:09       -3.172712        0.0666
BFGS:   27 17:04:09       -3.172853        0.0509
BFGS:   28 17:04:09       -3.172968        0.0399
BFGS:   29 17:04:10       -3.173153        0.0454
BFGS:   30 17:04:10       -3.173382        0.0365
BFGS:   31 17:04:10       -3.173532        0.0157
BFGS:   32 17:04:10       -3.173568        0.0050
BFGS:   33 17:04:10       -3.173570        0.0006
BFGS:   34 17:04:10       -3.173570        0.0004
BFGS:   35 17:04:10       -3.173570        0.0004
BFGS:   36 17:04:10       -3.173570        0.0003
BFGS:   37 17:04:10       -3.173570        0.0003
BFGS:   38 17:04:10       -3.173570        0.0002
BFGS:   39 17:04:10       -3.173570        0.0001
BFGS:   40 17:04:10       -3.173570        0.0000
BFGS:   41 17:04:10       -3.173570        0.0000
BFGS:   42 17:04:10       -3.173570        0.0000
BFGS:   43 17:04:10       -3.173570        0.0000
Minimization converged after 43 steps.
Maximum force component: 1.8663276975835859e-10 eV/Angstrom
Maximum stress component: 1.0761041572435047e-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([[8.61078431619002, -1.1140083532020699e-35, 0.0], [-3.4727703593923164e-36, 6.088743981506339, 0.0], [0.0, 0.0, 4.305392157824996]])
forces =  [[ 5.79078236e-11 -1.50099128e-31 -1.86632770e-10]
 [-5.79078236e-11  1.50099128e-31 -1.86632770e-10]
 [-5.79078236e-11 -1.50099128e-31  1.86632770e-10]
 [ 5.79078236e-11 -1.50099128e-31  1.86632770e-10]]
stress =  [ 4.47860856e-12  3.80162015e-12 -1.07610416e-11  0.00000000e+00
  0.00000000e+00  1.47027075e-48]
energy per atom =  -0.793392469422732
===============================================
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.