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 09:46:03       -3.168382         0.018818
BFGS:    1 09:46:03       -3.168394         0.018634
BFGS:    2 09:46:03       -3.168964         0.003935
BFGS:    3 09:46:03       -3.168966         0.004470
BFGS:    4 09:46:03       -3.168969         0.004924
BFGS:    5 09:46:03       -3.168981         0.005931
BFGS:    6 09:46:03       -3.169006         0.007050
BFGS:    7 09:46:03       -3.169068         0.009746
BFGS:    8 09:46:03       -3.169183         0.012126
BFGS:    9 09:46:03       -3.169332         0.012090
BFGS:   10 09:46:03       -3.169429         0.007980
BFGS:   11 09:46:03       -3.169451         0.004908
BFGS:   12 09:46:03       -3.169453         0.004350
BFGS:   13 09:46:03       -3.169454         0.004339
BFGS:   14 09:46:03       -3.169458         0.004122
BFGS:   15 09:46:03       -3.169464         0.003575
BFGS:   16 09:46:03       -3.169476         0.002282
BFGS:   17 09:46:03       -3.169488         0.001253
BFGS:   18 09:46:03       -3.169493         0.000681
BFGS:   19 09:46:03       -3.169494         0.000299
BFGS:   20 09:46:03       -3.169494         0.000309
BFGS:   21 09:46:03       -3.169494         0.000309
BFGS:   22 09:46:03       -3.169494         0.000306
BFGS:   23 09:46:03       -3.169494         0.000292
BFGS:   24 09:46:03       -3.169494         0.000244
BFGS:   25 09:46:03       -3.169495         0.000251
BFGS:   26 09:46:03       -3.169495         0.000196
BFGS:   27 09:46:03       -3.169495         0.000067
BFGS:   28 09:46:03       -3.169495         0.000012
BFGS:   29 09:46:03       -3.169495         0.000010
BFGS:   30 09:46:03       -3.169495         0.000010
BFGS:   31 09:46:03       -3.169495         0.000010
BFGS:   32 09:46:03       -3.169495         0.000010
BFGS:   33 09:46:03       -3.169495         0.000010
BFGS:   34 09:46:03       -3.169495         0.000009
BFGS:   35 09:46:03       -3.169495         0.000007
BFGS:   36 09:46:03       -3.169495         0.000007
BFGS:   37 09:46:03       -3.169495         0.000004
BFGS:   38 09:46:03       -3.169495         0.000001
BFGS:   39 09:46:03       -3.169495         0.000000
BFGS:   40 09:46:03       -3.169495         0.000000
BFGS:   41 09:46:03       -3.169495         0.000000
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.