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_1959MedCutoff_Cs__MO_999639780744_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       -3.168382        0.0188
BFGS:    1 17:04:09       -3.168394        0.0186
BFGS:    2 17:04:09       -3.168964        0.0039
BFGS:    3 17:04:09       -3.168966        0.0045
BFGS:    4 17:04:09       -3.168969        0.0049
BFGS:    5 17:04:09       -3.168981        0.0059
BFGS:    6 17:04:09       -3.169006        0.0070
BFGS:    7 17:04:09       -3.169068        0.0097
BFGS:    8 17:04:09       -3.169183        0.0121
BFGS:    9 17:04:09       -3.169332        0.0121
BFGS:   10 17:04:09       -3.169429        0.0080
BFGS:   11 17:04:09       -3.169451        0.0049
BFGS:   12 17:04:09       -3.169453        0.0044
BFGS:   13 17:04:09       -3.169454        0.0043
BFGS:   14 17:04:09       -3.169458        0.0041
BFGS:   15 17:04:09       -3.169464        0.0036
BFGS:   16 17:04:09       -3.169476        0.0023
BFGS:   17 17:04:09       -3.169488        0.0013
BFGS:   18 17:04:09       -3.169493        0.0007
BFGS:   19 17:04:09       -3.169494        0.0003
BFGS:   20 17:04:09       -3.169494        0.0003
BFGS:   21 17:04:09       -3.169494        0.0003
BFGS:   22 17:04:09       -3.169494        0.0003
BFGS:   23 17:04:09       -3.169494        0.0003
BFGS:   24 17:04:09       -3.169494        0.0002
BFGS:   25 17:04:09       -3.169495        0.0003
BFGS:   26 17:04:09       -3.169495        0.0002
BFGS:   27 17:04:09       -3.169495        0.0001
BFGS:   28 17:04:09       -3.169495        0.0000
BFGS:   29 17:04:09       -3.169495        0.0000
BFGS:   30 17:04:09       -3.169495        0.0000
BFGS:   31 17:04:09       -3.169495        0.0000
BFGS:   32 17:04:09       -3.169495        0.0000
BFGS:   33 17:04:09       -3.169495        0.0000
BFGS:   34 17:04:09       -3.169495        0.0000
BFGS:   35 17:04:09       -3.169495        0.0000
BFGS:   36 17:04:09       -3.169495        0.0000
BFGS:   37 17:04:09       -3.169495        0.0000
BFGS:   38 17:04:09       -3.169495        0.0000
BFGS:   39 17:04:09       -3.169495        0.0000
BFGS:   40 17:04:09       -3.169495        0.0000
BFGS:   41 17:04:09       -3.169495        0.0000
Minimization converged after 41 steps.
Maximum force component: 9.74048362390296e-10 eV/Angstrom
Maximum stress component: 3.4514944477887572e-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([[10.86577809211015, -9.683516864882037e-35, 0.0], [-1.5974154731497922e-35, 7.683265384233163, 0.0], [0.0, 0.0, 5.43288904724734]])
forces =  [[-9.74048362e-10  2.36758894e-32 -1.55293842e-10]
 [ 9.74048362e-10 -1.18379447e-32 -1.55293842e-10]
 [ 9.74048362e-10 -2.36758894e-32  1.55293842e-10]
 [-9.74048362e-10  1.18379447e-32  1.55293842e-10]]
stress =  [-2.89345059e-12  3.45149445e-12  1.05167711e-12  0.00000000e+00
  0.00000000e+00 -1.47643317e-34]
energy per atom =  -0.7923737098123372
===============================================
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.