element(s):
['Cs', 'I']
AFLOW prototype label:
AB_cF8_225_a_b
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['7.8526']
model name:
Sim_LAMMPS_EIM_Zhou_2010_BrClCsFIKLiNaRb__SM_259779394709_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cs', 'I']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  225
cell =  [[7.8526, 0, 0], [0, 7.8526, 0], [0, 0, 7.8526]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 14:29:19      -17.323435        2.2765
BFGS:    1 14:29:19      -17.539234        2.1450
BFGS:    2 14:29:19      -17.844096        1.9137
BFGS:    3 14:29:19      -18.111367        1.6429
BFGS:    4 14:29:19      -18.334708        1.3270
BFGS:    5 14:29:19      -18.507408        0.9682
BFGS:    6 14:29:19      -18.621621        0.5444
BFGS:    7 14:29:19      -18.667450        0.0549
BFGS:    8 14:29:19      -18.667875        0.0045
BFGS:    9 14:29:19      -18.667878        0.0000
BFGS:   10 14:29:19      -18.667878        0.0000
BFGS:   11 14:29:19      -18.667878        0.0000
Minimization converged after 11 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.5583197864147758e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cs', 'Cs', 'Cs', 'Cs', 'I', 'I', 'I', 'I']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 3.63896925e-49 1.81948463e-49]
 [0.00000000e+00 5.00000000e-01 0.00000000e+00]
 [1.36461347e-49 0.00000000e+00 5.00000000e-01]]
cellpar =  Cell([[7.5211162090989285, -3.0557091640791144e-32, 7.65753815355032e-33], [-2.808148562627582e-32, 7.5211162090989285, -2.238020667123682e-17], [-6.053841198897746e-33, -2.238020667123681e-17, 7.5211162090989285]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.55831979e-15 -1.55831979e-15 -1.55831979e-15 -6.79459954e-33
 -2.26978451e-36  1.41707155e-53]
energy per atom =  -2.3334847329799535
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0