element(s):
['Cs']
AFLOW prototype label:
A_oC4_63_c
Parameter names:
['a', 'b/a', 'c/a', 'y1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.4396', '1.7485477', '1.6329142', '0.66118538']
model name:
Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Cs__MO_256406354561_004
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cs']
representative atom coordinates =  [[0.         0.66118538 0.25      ]]
spacegroup =  63
cell =  [[5.4396, 0, 0], [0, 9.5114, 0], [0, 0, 8.8824]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:48:17       -2.849351         0.071023
BFGS:    1 15:48:17       -2.849532         0.070037
BFGS:    2 15:48:17       -2.855653         0.040789
BFGS:    3 15:48:17       -2.856948         0.009824
BFGS:    4 15:48:17       -2.856974         0.010121
BFGS:    5 15:48:17       -2.856978         0.010429
BFGS:    6 15:48:17       -2.857009         0.011686
BFGS:    7 15:48:17       -2.857054         0.011466
BFGS:    8 15:48:17       -2.857129         0.008130
BFGS:    9 15:48:17       -2.857181         0.004303
BFGS:   10 15:48:17       -2.857198         0.002796
BFGS:   11 15:48:17       -2.857200         0.001867
BFGS:   12 15:48:17       -2.857200         0.001852
BFGS:   13 15:48:17       -2.857201         0.001858
BFGS:   14 15:48:17       -2.857204         0.001859
BFGS:   15 15:48:17       -2.857210         0.002628
BFGS:   16 15:48:17       -2.857226         0.003690
BFGS:   17 15:48:17       -2.857260         0.004604
BFGS:   18 15:48:17       -2.857311         0.005592
BFGS:   19 15:48:17       -2.857357         0.004469
BFGS:   20 15:48:17       -2.857373         0.002307
BFGS:   21 15:48:17       -2.857375         0.001318
BFGS:   22 15:48:17       -2.857375         0.001335
BFGS:   23 15:48:17       -2.857375         0.001325
BFGS:   24 15:48:17       -2.857375         0.001261
BFGS:   25 15:48:17       -2.857376         0.001114
BFGS:   26 15:48:17       -2.857377         0.000780
BFGS:   27 15:48:17       -2.857378         0.000306
BFGS:   28 15:48:17       -2.857379         0.000164
BFGS:   29 15:48:17       -2.857379         0.000070
BFGS:   30 15:48:17       -2.857379         0.000011
BFGS:   31 15:48:17       -2.857379         0.000001
BFGS:   32 15:48:17       -2.857379         0.000000
Minimization converged after 32 steps.
Maximum force component: 6.984314977407578e-09 eV/Angstrom
Maximum stress component: 6.574306885110483e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cs', 'Cs', 'Cs', 'Cs']
basis =  [[3.00797984e-36 6.66666684e-01 2.50000000e-01]
 [1.16023818e-36 3.33333316e-01 7.50000000e-01]
 [5.00000000e-01 1.66666684e-01 2.50000000e-01]
 [5.00000000e-01 8.33333316e-01 7.50000000e-01]]
cellpar =  Cell([[5.550393859364925, -3.832742320620203e-37, 0.0], [-8.705664925198855e-38, 9.613563799979731, 0.0], [0.0, 0.0, 9.118754800347745]])
forces =  [[ 6.32472070e-47 -6.98431498e-09  0.00000000e+00]
 [-6.32472070e-47  6.98431498e-09  0.00000000e+00]
 [ 6.32472070e-47 -6.98431498e-09  0.00000000e+00]
 [-6.32472070e-47  6.98431498e-09 -7.02483317e-33]]
stress =  [ 6.57430689e-11  3.55201807e-11  5.24304008e-12  0.00000000e+00
  0.00000000e+00 -1.44375088e-35]
energy per atom =  -0.7143447808024485
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Prototype label changed during relaxation: test template prototype is A_oC4_63_c, while relaxed is A_hP2_194_c. Skipping parameter set 0.
No parameter sets in this group successfully added a property instance. Skipping this group.