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 15:19:04       -9.627909        6.6137
BFGS:    1 15:19:04      -10.627286        6.6500
BFGS:    2 15:19:04      -11.598358        6.1898
BFGS:    3 15:19:04      -12.449686        4.9432
BFGS:    4 15:19:04      -13.008987        2.2023
BFGS:    5 15:19:04      -13.060554        1.6565
BFGS:    6 15:19:04      -13.095690        0.2347
BFGS:    7 15:19:04      -13.096511        0.0203
BFGS:    8 15:19:04      -13.096517        0.0003
BFGS:    9 15:19:04      -13.096517        0.0000
BFGS:   10 15:19:04      -13.096517        0.0000
Minimization converged after 10 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.7103980473780318e-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, -5.758094501762158e-33, 7.155723567415695e-33], [-1.1848833377950397e-32, 3.8500158269840714, 3.3666335861143115e-17], [-6.1008782206867323e-33, 3.366633586114312e-17, 3.8500158269840714]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 1.71039805e-13  1.71039805e-13  1.71039805e-13 -1.85068360e-30
  5.54375681e-34 -2.08491826e-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