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 17:04:20       -9.345884        3.4531
BFGS:    1 17:04:20       -9.858025        3.5570
BFGS:    2 17:04:20      -10.386778        3.6252
BFGS:    3 17:04:20      -10.920249        3.6541
BFGS:    4 17:04:20      -11.452165        3.6380
BFGS:    5 17:04:20      -11.971645        3.5409
BFGS:    6 17:04:20      -12.465657        3.3509
BFGS:    7 17:04:20      -12.918719        3.0456
BFGS:    8 17:04:20      -13.310685        2.5842
BFGS:    9 17:04:20      -13.615671        1.9269
BFGS:   10 17:04:20      -13.807415        1.0539
BFGS:   11 17:04:20      -13.857687        0.3324
BFGS:   12 17:04:20      -13.861436        0.1538
BFGS:   13 17:04:20      -13.862765        0.1555
BFGS:   14 17:04:20      -13.872166        0.0958
BFGS:   15 17:04:20      -13.872502        0.0660
BFGS:   16 17:04:20      -13.872880        0.0911
BFGS:   17 17:04:20      -13.873350        0.1024
BFGS:   18 17:04:20      -13.873789        0.0700
BFGS:   19 17:04:20      -13.873958        0.0366
BFGS:   20 17:04:20      -13.873995        0.0194
BFGS:   21 17:04:20      -13.874008        0.0169
BFGS:   22 17:04:20      -13.874017        0.0080
BFGS:   23 17:04:20      -13.874019        0.0026
BFGS:   24 17:04:20      -13.874020        0.0012
BFGS:   25 17:04:20      -13.874020        0.0011
BFGS:   26 17:04:20      -13.874020        0.0011
BFGS:   27 17:04:20      -13.874020        0.0008
BFGS:   28 17:04:20      -13.874020        0.0003
BFGS:   29 17:04:20      -13.874020        0.0000
BFGS:   30 17:04:20      -13.874020        0.0000
BFGS:   31 17:04:20      -13.874020        0.0000
BFGS:   32 17:04:20      -13.874020        0.0000
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, 9.301867023572688e-37, 0.0], [2.106181485627731e-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 -5.00172512e-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.