element(s):
['Cs', 'F', 'Li']
AFLOW prototype label:
A3B5C2_tI20_139_ae_bde_e
Parameter names:
['a', 'c/a', 'z4', 'z5', 'z6']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.1655', '5.4761733', '0.63748856', '0.13887115', '0.22324275']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cs', 'Cs', 'F', 'F', 'F', 'Li']
representative atom coordinates =  [[0.         0.         0.        ]
 [0.         0.         0.63748856]
 [0.         0.         0.5       ]
 [0.         0.5        0.25      ]
 [0.         0.         0.13887115]
 [0.         0.         0.22324275]]
spacegroup =  139
cell =  [[4.1655, 0, 0], [0, 4.1655, 0], [0, 0, 22.811]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 16:31:56      -80.530720        6.9261
BFGS:    1 16:31:56      -81.963617        5.4619
BFGS:    2 16:31:56      -82.892988        5.0903
BFGS:    3 16:31:56      -83.653547        4.6890
BFGS:    4 16:31:56      -84.321711        4.2847
BFGS:    5 16:31:56      -84.916172        3.8978
BFGS:    6 16:31:56      -85.444066        3.5170
BFGS:    7 16:31:56      -85.911227        3.1543
BFGS:    8 16:31:56      -86.322699        2.8035
BFGS:    9 16:31:56      -86.681787        2.4668
BFGS:   10 16:31:56      -86.991907        2.1450
BFGS:   11 16:31:56      -87.256236        1.8391
BFGS:   12 16:31:56      -87.477777        1.5457
BFGS:   13 16:31:56      -87.659081        1.2658
BFGS:   14 16:31:56      -87.802522        0.9989
BFGS:   15 16:31:56      -87.910407        0.7444
BFGS:   16 16:31:56      -87.985095        0.5034
BFGS:   17 16:31:56      -88.028682        0.2725
BFGS:   18 16:31:56      -88.043746        0.1243
BFGS:   19 16:31:56      -88.044162        0.1287
BFGS:   20 16:31:56      -88.044995        0.1176
BFGS:   21 16:31:56      -88.046024        0.0833
BFGS:   22 16:31:56      -88.047031        0.0658
BFGS:   23 16:31:56      -88.047859        0.0698
BFGS:   24 16:31:56      -88.048687        0.0637
BFGS:   25 16:31:56      -88.049557        0.0532
BFGS:   26 16:31:56      -88.050494        0.0526
BFGS:   27 16:31:56      -88.050876        0.0345
BFGS:   28 16:31:56      -88.050962        0.0123
BFGS:   29 16:31:56      -88.050971        0.0034
BFGS:   30 16:31:56      -88.050972        0.0006
BFGS:   31 16:31:56      -88.050972        0.0002
BFGS:   32 16:31:57      -88.050972        0.0001
BFGS:   33 16:31:57      -88.050972        0.0000
BFGS:   34 16:31:57      -88.050972        0.0000
BFGS:   35 16:31:57      -88.050972        0.0000
BFGS:   36 16:31:57      -88.050972        0.0000
BFGS:   37 16:31:57      -88.050972        0.0000
Minimization converged after 37 steps.
Maximum force component: 8.848841894749552e-09 eV/Angstrom
Maximum stress component: 4.315480438575777e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cs', 'Cs', 'Cs', 'Cs', 'Cs', 'Cs', 'F', 'F', 'F', 'F', 'F', 'F', 'F', 'F', 'F', 'F', 'Li', 'Li', 'Li', 'Li']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [2.52707776e-34 2.54486913e-32 6.40418288e-01]
 [0.00000000e+00 2.54486913e-32 3.59581712e-01]
 [5.00000000e-01 5.00000000e-01 1.40418288e-01]
 [5.00000000e-01 5.00000000e-01 8.59581712e-01]
 [5.02288409e-48 1.97934265e-32 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [1.50848157e-34 5.00000000e-01 2.50000000e-01]
 [5.00000000e-01 9.89671327e-33 2.50000000e-01]
 [0.00000000e+00 5.00000000e-01 7.50000000e-01]
 [5.00000000e-01 2.82763236e-32 7.50000000e-01]
 [0.00000000e+00 5.65526472e-33 1.37400668e-01]
 [2.64403944e-34 0.00000000e+00 8.62599332e-01]
 [5.00000000e-01 5.00000000e-01 6.37400668e-01]
 [5.00000000e-01 5.00000000e-01 3.62599332e-01]
 [0.00000000e+00 7.06908091e-33 2.17046564e-01]
 [1.19537637e-33 6.22079120e-32 7.82953436e-01]
 [5.00000000e-01 5.00000000e-01 7.17046564e-01]
 [5.00000000e-01 5.00000000e-01 2.82953436e-01]]
cellpar =  Cell([[4.3591068661174885, -7.708190389364748e-38, -1.0004210142863085e-31], [1.9891276513113848e-36, 4.359106866117489, -2.379544973607933e-17], [-8.810512063384515e-32, -1.3080366835099418e-16, 23.56711488610878]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 3.30811933e-41  4.91134470e-26 -8.84884189e-09]
 [-3.30811933e-41 -4.91134470e-26  8.84884189e-09]
 [ 3.30811933e-41  4.91134470e-26 -8.84884189e-09]
 [-3.30811933e-41 -4.91134470e-26  8.84884189e-09]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-1.34325351e-32  3.35813378e-32  4.53886123e-33]
 [ 1.34325351e-32 -6.71626756e-33 -2.72331674e-32]
 [ 2.01488027e-32 -3.35813378e-32 -4.53886123e-33]
 [-1.34325351e-32  6.71626756e-32 -9.07772245e-33]
 [ 2.68650702e-32 -1.65276514e-27  2.97769348e-10]
 [ 5.37301404e-32  1.65273827e-27 -2.97769348e-10]
 [-2.68650702e-32 -1.65271141e-27  2.97769348e-10]
 [ 2.68650702e-32  1.65272484e-27 -2.97769348e-10]
 [-1.84697358e-32  2.40710428e-26 -4.33691022e-09]
 [ 4.61743394e-32 -2.40710160e-26  4.33691022e-09]
 [-4.02976053e-32  2.40710093e-26 -4.33691022e-09]
 [ 1.34325351e-32 -2.40710966e-26  4.33691022e-09]]
stress =  [ 9.33450765e-11  9.33450765e-11  4.31548044e-10  4.98283284e-26
 -4.68075452e-41 -5.19668491e-57]
energy per atom =  -4.402548599361493
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0