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_1959LowCutoff_Cs__MO_256406354561_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       -2.848577        0.0589
BFGS:    1 17:04:09       -2.848701        0.0581
BFGS:    2 17:04:09       -2.853053        0.0140
BFGS:    3 17:04:09       -2.853258        0.0053
BFGS:    4 17:04:09       -2.853261        0.0060
BFGS:    5 17:04:09       -2.853264        0.0066
BFGS:    6 17:04:09       -2.853275        0.0077
BFGS:    7 17:04:09       -2.853300        0.0091
BFGS:    8 17:04:09       -2.853360        0.0107
BFGS:    9 17:04:09       -2.853478        0.0114
BFGS:   10 17:04:09       -2.853642        0.0105
BFGS:   11 17:04:09       -2.853758        0.0084
BFGS:   12 17:04:09       -2.853792        0.0049
BFGS:   13 17:04:09       -2.853796        0.0036
BFGS:   14 17:04:09       -2.853796        0.0034
BFGS:   15 17:04:09       -2.853798        0.0030
BFGS:   16 17:04:09       -2.853801        0.0027
BFGS:   17 17:04:09       -2.853807        0.0021
BFGS:   18 17:04:09       -2.853817        0.0010
BFGS:   19 17:04:09       -2.853825        0.0009
BFGS:   20 17:04:09       -2.853827        0.0010
BFGS:   21 17:04:09       -2.853827        0.0010
BFGS:   22 17:04:09       -2.853827        0.0010
BFGS:   23 17:04:09       -2.853828        0.0009
BFGS:   24 17:04:09       -2.853828        0.0009
BFGS:   25 17:04:09       -2.853829        0.0008
BFGS:   26 17:04:09       -2.853831        0.0011
BFGS:   27 17:04:09       -2.853833        0.0013
BFGS:   28 17:04:09       -2.853836        0.0010
BFGS:   29 17:04:09       -2.853837        0.0004
BFGS:   30 17:04:09       -2.853837        0.0003
BFGS:   31 17:04:09       -2.853837        0.0003
BFGS:   32 17:04:09       -2.853837        0.0003
BFGS:   33 17:04:09       -2.853837        0.0003
BFGS:   34 17:04:09       -2.853837        0.0003
BFGS:   35 17:04:09       -2.853838        0.0002
BFGS:   36 17:04:09       -2.853838        0.0002
BFGS:   37 17:04:09       -2.853838        0.0002
BFGS:   38 17:04:09       -2.853838        0.0000
BFGS:   39 17:04:09       -2.853838        0.0000
BFGS:   40 17:04:09       -2.853838        0.0000
BFGS:   41 17:04:09       -2.853838        0.0000
BFGS:   42 17:04:09       -2.853838        0.0000
Minimization converged after 42 steps.
Maximum force component: 5.404841525744953e-10 eV/Angstrom
Maximum stress component: 8.086679752366217e-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([[11.075737595836873, 9.65706672565886e-35, 0.0], [-5.6839889860496655e-37, 7.831729163998887, 0.0], [0.0, 0.0, 5.537868792896519]])
forces =  [[-5.40484153e-10  3.77084043e-34 -2.71888343e-10]
 [ 5.40484153e-10  4.71254531e-45 -2.71888343e-10]
 [ 5.40484153e-10  4.71254531e-45  2.71888343e-10]
 [-5.40484153e-10 -4.71254531e-45  2.71888343e-10]]
stress =  [ 8.08667975e-12  3.60731212e-12 -7.60819197e-12  0.00000000e+00
  0.00000000e+00 -7.10493560e-35]
energy per atom =  -0.7134595942321321
===============================================
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.