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:
Morse_Shifted_GirifalcoWeizer_1959HighCutoff_Cs__MO_187111446479_004
==== 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 17:04:09       -3.230451        0.0348
BFGS:    1 17:04:09       -3.230495        0.0345
BFGS:    2 17:04:09       -3.232443        0.0040
BFGS:    3 17:04:09       -3.232446        0.0038
BFGS:    4 17:04:09       -3.232448        0.0038
BFGS:    5 17:04:09       -3.232462        0.0041
BFGS:    6 17:04:09       -3.232488        0.0058
BFGS:    7 17:04:09       -3.232552        0.0082
BFGS:    8 17:04:09       -3.232659        0.0097
BFGS:    9 17:04:09       -3.232821        0.0093
BFGS:   10 17:04:09       -3.232896        0.0071
BFGS:   11 17:04:09       -3.232919        0.0040
BFGS:   12 17:04:09       -3.232920        0.0041
BFGS:   13 17:04:09       -3.232921        0.0042
BFGS:   14 17:04:09       -3.232923        0.0042
BFGS:   15 17:04:09       -3.232928        0.0039
BFGS:   16 17:04:09       -3.232938        0.0030
BFGS:   17 17:04:09       -3.232948        0.0014
BFGS:   18 17:04:09       -3.232953        0.0011
BFGS:   19 17:04:09       -3.232954        0.0006
BFGS:   20 17:04:09       -3.232954        0.0004
BFGS:   21 17:04:09       -3.232954        0.0004
BFGS:   22 17:04:09       -3.232954        0.0004
BFGS:   23 17:04:09       -3.232954        0.0004
BFGS:   24 17:04:09       -3.232954        0.0004
BFGS:   25 17:04:09       -3.232955        0.0004
BFGS:   26 17:04:09       -3.232955        0.0004
BFGS:   27 17:04:09       -3.232956        0.0003
BFGS:   28 17:04:09       -3.232956        0.0002
BFGS:   29 17:04:09       -3.232956        0.0002
BFGS:   30 17:04:09       -3.232956        0.0002
BFGS:   31 17:04:09       -3.232956        0.0002
BFGS:   32 17:04:09       -3.232956        0.0002
BFGS:   33 17:04:09       -3.232956        0.0003
BFGS:   34 17:04:09       -3.232956        0.0003
BFGS:   35 17:04:09       -3.232956        0.0003
BFGS:   36 17:04:09       -3.232957        0.0002
BFGS:   37 17:04:09       -3.232957        0.0000
BFGS:   38 17:04:09       -3.232957        0.0000
BFGS:   39 17:04:09       -3.232957        0.0000
BFGS:   40 17:04:09       -3.232957        0.0000
BFGS:   41 17:04:09       -3.232957        0.0000
Minimization converged after 41 steps.
Maximum force component: 3.180718080209484e-10 eV/Angstrom
Maximum stress component: 5.635947989652653e-12 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([[10.81072438650676, -1.3188877350640438e-35, 0.0], [1.776855264269168e-36, 7.644336521633277, 0.0], [0.0, 0.0, 5.405362190618407]])
forces =  [[-3.18071808e-10  3.88041533e-46 -4.77013209e-11]
 [ 3.18071808e-10 -2.35559306e-32 -4.77013209e-11]
 [ 3.18071808e-10 -3.88041533e-46  4.77013209e-11]
 [-3.18071808e-10  2.35559306e-32  4.77013209e-11]]
stress =  [ 5.63594799e-12  1.33423180e-12 -3.13762738e-12  0.00000000e+00
  0.00000000e+00 -1.15495902e-48]
energy per atom =  -0.8082391729825431
===============================================
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.