element(s):
['Cs', 'I']
AFLOW prototype label:
AB_cP2_221_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:
['4.6648']
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 =  221
cell =  [[4.6648, 0, 0], [0, 4.6648, 0], [0, 0, 4.6648]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:16:02       -4.835547        2.7935
BFGS:    1 15:16:02       -5.139398        2.2180
BFGS:    2 15:16:03       -5.376541        0.7773
BFGS:    3 15:16:03       -5.390835        0.4930
BFGS:    4 15:16:03       -5.397594        0.0476
BFGS:    5 15:16:03       -5.397663        0.0033
BFGS:    6 15:16:03       -5.397663        0.0002
BFGS:    7 15:16:03       -5.397663        0.0000
BFGS:    8 15:16:03       -5.397663        0.0000
Minimization converged after 8 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 7.282927050274453e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cs', 'I']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[4.414279540501751, -2.6887395921671025e-36, 2.2563027538227657e-32], [1.1189896387757181e-32, 4.414279540501751, -1.4025404533615114e-17], [8.191967790387797e-33, -1.4025404533615105e-17, 4.414279540501751]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 7.28292705e-13  7.28292705e-13  7.28292705e-13  4.14252965e-28
 -1.44592341e-60 -8.45634337e-62]
energy per atom =  -2.6988316348937236
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0