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:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== 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 12:27:35       -9.371026         3.893117
BFGS:    1 12:27:35       -9.863403         2.503051
BFGS:    2 12:27:35      -10.058704         0.153124
BFGS:    3 12:27:35      -10.059170         0.044365
BFGS:    4 12:27:35      -10.059214         0.000545
BFGS:    5 12:27:35      -10.059214         0.000002
BFGS:    6 12:27:35      -10.059214         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.906992875418781e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cs', 'I']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[4.436753966205642, 5.253295437903306e-33, -1.925005216013389e-33], [2.9358988614194835e-32, 4.436753966205642, -1.8691906442253875e-18], [5.376407261035611e-33, -1.8691906442253894e-18, 4.436753966205642]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 1.90699288e-12  1.90699288e-12  1.90699288e-12 -1.16326987e-28
  2.60902671e-35 -9.31924140e-52]
energy per atom =  -5.029606818057518
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0