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 09:46:01       -2.848577         0.058895
BFGS:    1 09:46:01       -2.848701         0.058113
BFGS:    2 09:46:01       -2.853053         0.013994
BFGS:    3 09:46:01       -2.853258         0.005334
BFGS:    4 09:46:01       -2.853261         0.006003
BFGS:    5 09:46:01       -2.853264         0.006569
BFGS:    6 09:46:01       -2.853275         0.007667
BFGS:    7 09:46:01       -2.853300         0.009065
BFGS:    8 09:46:01       -2.853360         0.010695
BFGS:    9 09:46:01       -2.853478         0.011388
BFGS:   10 09:46:01       -2.853642         0.010513
BFGS:   11 09:46:01       -2.853758         0.008374
BFGS:   12 09:46:01       -2.853792         0.004911
BFGS:   13 09:46:01       -2.853796         0.003585
BFGS:   14 09:46:01       -2.853796         0.003391
BFGS:   15 09:46:01       -2.853798         0.002983
BFGS:   16 09:46:01       -2.853801         0.002726
BFGS:   17 09:46:01       -2.853807         0.002105
BFGS:   18 09:46:01       -2.853817         0.000956
BFGS:   19 09:46:01       -2.853825         0.000893
BFGS:   20 09:46:01       -2.853827         0.001045
BFGS:   21 09:46:01       -2.853827         0.001012
BFGS:   22 09:46:01       -2.853827         0.000959
BFGS:   23 09:46:01       -2.853828         0.000912
BFGS:   24 09:46:01       -2.853828         0.000897
BFGS:   25 09:46:01       -2.853829         0.000848
BFGS:   26 09:46:01       -2.853831         0.001088
BFGS:   27 09:46:01       -2.853833         0.001299
BFGS:   28 09:46:01       -2.853836         0.000998
BFGS:   29 09:46:01       -2.853837         0.000427
BFGS:   30 09:46:01       -2.853837         0.000340
BFGS:   31 09:46:01       -2.853837         0.000333
BFGS:   32 09:46:01       -2.853837         0.000325
BFGS:   33 09:46:01       -2.853837         0.000305
BFGS:   34 09:46:01       -2.853837         0.000268
BFGS:   35 09:46:01       -2.853838         0.000218
BFGS:   36 09:46:01       -2.853838         0.000235
BFGS:   37 09:46:01       -2.853838         0.000152
BFGS:   38 09:46:01       -2.853838         0.000044
BFGS:   39 09:46:01       -2.853838         0.000007
BFGS:   40 09:46:01       -2.853838         0.000001
BFGS:   41 09:46:01       -2.853838         0.000000
BFGS:   42 09:46:01       -2.853838         0.000000
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.