element(s):
['Cl', 'Cs']
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:
['4.2029']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cl', 'Cs']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  221
cell =  [[4.2029, 0, 0], [0, 4.2029, 0], [0, 0, 4.2029]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 12:24:24      -12.415431         1.086473
BFGS:    1 12:24:24      -12.436732         0.139542
BFGS:    2 12:24:24      -12.437126         0.008682
BFGS:    3 12:24:24      -12.437127         0.000086
BFGS:    4 12:24:24      -12.437127         0.000000
BFGS:    5 12:24:24      -12.437127         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 8.260042727752978e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cl', 'Cs']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[4.231560459991741, 9.635355274503242e-34, -6.457743741028003e-33], [-7.766913779479131e-33, 4.231560459991741, 2.8288262273854536e-20], [2.12704002044644e-32, 2.828826227382638e-20, 4.231560459991741]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 8.26004273e-15  8.26004273e-15  8.26004273e-15 -4.26841865e-30
 -1.14727653e-34  3.39701879e-50]
energy per atom =  -6.218563610152319
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0