element(s):
['I', 'K']
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:
['4.3387']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['I', 'K']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  221
cell =  [[4.3387, 0, 0], [0, 4.3387, 0], [0, 0, 4.3387]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 11:30:57       -9.627909         6.613731
BFGS:    1 11:30:57      -10.627286         6.649966
BFGS:    2 11:30:57      -11.598358         6.189808
BFGS:    3 11:30:57      -12.449686         4.943191
BFGS:    4 11:30:57      -13.008987         2.202263
BFGS:    5 11:30:57      -13.060554         1.656457
BFGS:    6 11:30:57      -13.095690         0.234651
BFGS:    7 11:30:57      -13.096511         0.020278
BFGS:    8 11:30:57      -13.096517         0.000283
BFGS:    9 11:30:57      -13.096517         0.000000
BFGS:   10 11:30:57      -13.096517         0.000000
Minimization converged after 10 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.7108908976752823e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['I', 'K']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.8500158269840714, 5.253066054939613e-33, 1.8256021278357195e-32], [2.5930391517781706e-33, 3.8500158269840714, 4.07807734544501e-17], [3.3178499661563196e-33, 4.0780773454450115e-17, 3.8500158269840714]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 1.71089090e-13  1.71089090e-13  1.71089090e-13 -3.56483343e-30
  2.77187841e-34 -4.38855183e-51]
energy per atom =  -6.54825873568992
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0