element(s):
['I', 'Li']
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:
['6.0181']
model name:
Sim_LAMMPS_EIM_Zhou_2010_BrClCsFIKLiNaRb__SM_259779394709_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['I', 'Li']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  225
cell =  [[6.0181, 0, 0], [0, 6.0181, 0], [0, 0, 6.0181]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 11:11:45      -22.395395         0.695921
BFGS:    1 11:11:45      -22.413533         0.521375
BFGS:    2 11:11:45      -22.437926         0.034870
BFGS:    3 11:11:45      -22.438065         0.008701
BFGS:    4 11:11:45      -22.438073         0.001081
BFGS:    5 11:11:45      -22.438073         0.000040
BFGS:    6 11:11:45      -22.438073         0.000000
BFGS:    7 11:11:46      -22.438073         0.000000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.0197027905637855e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['I', 'I', 'I', 'I', 'Li', 'Li', 'Li', 'Li']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 7.95839462e-36 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 3.97919731e-36]
 [1.13095590e-49 7.95839462e-36 5.00000000e-01]]
cellpar =  Cell([[6.049995121883478, -3.0560251811033687e-32, 1.3899019727340472e-32], [-3.1239347673736284e-32, 6.049995121883478, -3.934158230690108e-19], [-9.50116851289647e-33, -3.934158230689993e-19, 6.049995121883478]])
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 =  [ 1.01970279e-12  1.01970279e-12  1.01970279e-12  7.36312091e-29
 -1.40313407e-35 -7.11458337e-52]
energy per atom =  -2.8047591798809663
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0