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:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== 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 09:41:31       -9.365070         3.445869
BFGS:    1 09:41:31       -9.878058         3.542182
BFGS:    2 09:41:31      -10.410337         3.606539
BFGS:    3 09:41:31      -10.948112         3.626700
BFGS:    4 09:41:31      -11.484232         3.597573
BFGS:    5 09:41:31      -12.008258         3.487522
BFGS:    6 09:41:31      -12.508130         3.283001
BFGS:    7 09:41:31      -12.966793         2.945921
BFGS:    8 09:41:31      -13.361486         2.441321
BFGS:    9 09:41:31      -13.664224         1.716743
BFGS:   10 09:41:31      -13.840513         0.735467
BFGS:   11 09:41:31      -13.866968         0.259817
BFGS:   12 09:41:31      -13.869708         0.092642
BFGS:   13 09:41:31      -13.870310         0.088552
BFGS:   14 09:41:31      -13.876033         0.142360
BFGS:   15 09:41:31      -13.876577         0.129487
BFGS:   16 09:41:31      -13.877339         0.067437
BFGS:   17 09:41:31      -13.877583         0.023807
BFGS:   18 09:41:31      -13.877631         0.003934
BFGS:   19 09:41:31      -13.877633         0.001420
BFGS:   20 09:41:31      -13.877634         0.001198
BFGS:   21 09:41:31      -13.877634         0.000756
BFGS:   22 09:41:31      -13.877634         0.000198
BFGS:   23 09:41:31      -13.877634         0.000042
BFGS:   24 09:41:31      -13.877634         0.000009
BFGS:   25 09:41:31      -13.877634         0.000001
BFGS:   26 09:41:31      -13.877634         0.000000
BFGS:   27 09:41:31      -13.877634         0.000000
Minimization converged after 27 steps.
Maximum force component: 5.898091515585756e-11 eV/Angstrom
Maximum stress component: 2.4147163514895716e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cs', 'Cs', 'Cs', 'Cs']
basis =  [[1.50463277e-36 6.66666667e-01 2.50000000e-01]
 [1.04616988e-36 3.33333333e-01 7.50000000e-01]
 [5.00000000e-01 1.66666667e-01 2.50000000e-01]
 [5.00000000e-01 8.33333333e-01 7.50000000e-01]]
cellpar =  Cell([[4.746112888050292, 8.985545650029883e-37, 0.0], [-2.575728681454406e-35, 8.220508660113465, 0.0], [0.0, 0.0, 7.7505244962933135]])
forces =  [[ 1.84804665e-46 -5.89809152e-11  0.00000000e+00]
 [-1.84804665e-46  5.89809152e-11  0.00000000e+00]
 [ 1.84804665e-46 -5.89809152e-11  0.00000000e+00]
 [-1.84804665e-46  5.89809152e-11  0.00000000e+00]]
stress =  [-4.76576554e-12 -2.41471635e-11 -1.96708002e-11  0.00000000e+00
  0.00000000e+00  6.31849579e-34]
energy per atom =  -3.469408409444385
===============================================
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.