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 15:16:14       -9.371026        3.8931
BFGS:    1 15:16:14       -9.863403        2.5031
BFGS:    2 15:16:14      -10.058704        0.1531
BFGS:    3 15:16:14      -10.059170        0.0444
BFGS:    4 15:16:14      -10.059214        0.0005
BFGS:    5 15:16:14      -10.059214        0.0000
BFGS:    6 15:16:15      -10.059214        0.0000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.9064403267615476e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cs', 'I']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[4.436753966205641, -3.4734672326921084e-32, -4.8735947685554575e-33], [-3.031960485767658e-32, 4.436753966205641, -1.9576751425220544e-18], [-1.3468358659059024e-32, -1.9576751425220386e-18, 4.436753966205641]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 1.90644033e-12  1.90644033e-12  1.90644033e-12 -1.83029386e-28
  2.93515505e-35 -1.80049807e-51]
energy per atom =  -5.029606818057516
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0