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 17:15:47       -3.230451         0.034830
BFGS:    1 17:15:47       -3.230495         0.034479
BFGS:    2 17:15:47       -3.232443         0.004026
BFGS:    3 17:15:47       -3.232446         0.003755
BFGS:    4 17:15:48       -3.232448         0.003751
BFGS:    5 17:15:48       -3.232462         0.004115
BFGS:    6 17:15:48       -3.232488         0.005754
BFGS:    7 17:15:48       -3.232552         0.008154
BFGS:    8 17:15:48       -3.232659         0.009661
BFGS:    9 17:15:48       -3.232821         0.009301
BFGS:   10 17:15:48       -3.232896         0.007067
BFGS:   11 17:15:48       -3.232919         0.004026
BFGS:   12 17:15:48       -3.232920         0.004121
BFGS:   13 17:15:48       -3.232921         0.004186
BFGS:   14 17:15:48       -3.232923         0.004197
BFGS:   15 17:15:48       -3.232928         0.003922
BFGS:   16 17:15:48       -3.232938         0.002974
BFGS:   17 17:15:48       -3.232948         0.001410
BFGS:   18 17:15:48       -3.232953         0.001060
BFGS:   19 17:15:48       -3.232954         0.000558
BFGS:   20 17:15:48       -3.232954         0.000404
BFGS:   21 17:15:48       -3.232954         0.000411
BFGS:   22 17:15:48       -3.232954         0.000426
BFGS:   23 17:15:48       -3.232954         0.000441
BFGS:   24 17:15:48       -3.232954         0.000449
BFGS:   25 17:15:48       -3.232955         0.000443
BFGS:   26 17:15:48       -3.232955         0.000436
BFGS:   27 17:15:48       -3.232956         0.000287
BFGS:   28 17:15:48       -3.232956         0.000237
BFGS:   29 17:15:48       -3.232956         0.000234
BFGS:   30 17:15:48       -3.232956         0.000233
BFGS:   31 17:15:48       -3.232956         0.000231
BFGS:   32 17:15:49       -3.232956         0.000224
BFGS:   33 17:15:49       -3.232956         0.000278
BFGS:   34 17:15:49       -3.232956         0.000333
BFGS:   35 17:15:49       -3.232956         0.000304
BFGS:   36 17:15:49       -3.232957         0.000161
BFGS:   37 17:15:49       -3.232957         0.000035
BFGS:   38 17:15:49       -3.232957         0.000003
BFGS:   39 17:15:49       -3.232957         0.000000
BFGS:   40 17:15:49       -3.232957         0.000000
BFGS:   41 17:15:49       -3.232957         0.000000
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, 9.428742030333498e-36, 0.0], [3.5529447584674477e-35, 7.644336521633277, 0.0], [0.0, 0.0, 5.405362190618407]])
forces =  [[-3.18071808e-10 -2.77411293e-46 -4.77013209e-11]
 [ 3.18071808e-10 -2.35559306e-32 -4.77013209e-11]
 [ 3.18071808e-10  2.77411293e-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 -3.72877240e-35]
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.