element(s):
['I', 'K']
AFLOW prototype label:
AB_cF8_225_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:
['7.1729']
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 =  225
cell =  [[7.1729, 0, 0], [0, 7.1729, 0], [0, 0, 7.1729]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 12:12:08      -32.731343         4.963367
BFGS:    1 12:12:08      -33.472592         4.915960
BFGS:    2 12:12:08      -34.204852         4.842947
BFGS:    3 12:12:08      -34.924014         4.740681
BFGS:    4 12:12:08      -35.625749         4.614396
BFGS:    5 12:12:08      -36.305426         4.441231
BFGS:    6 12:12:08      -36.955962         4.224931
BFGS:    7 12:12:08      -37.570458         3.959667
BFGS:    8 12:12:08      -38.141297         3.649141
BFGS:    9 12:12:09      -38.660764         3.265948
BFGS:   10 12:12:09      -39.120322         2.835373
BFGS:   11 12:12:09      -39.506669         2.301681
BFGS:   12 12:12:09      -39.806283         1.677083
BFGS:   13 12:12:09      -40.004661         0.949777
BFGS:   14 12:12:09      -40.085420         0.106482
BFGS:   15 12:12:09      -40.086346         0.008981
BFGS:   16 12:12:09      -40.086353         0.000076
BFGS:   17 12:12:09      -40.086353         0.000000
BFGS:   18 12:12:09      -40.086353         0.000000
Minimization converged after 18 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 7.725819076897739e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['I', 'I', 'I', 'I', 'K', 'K', 'K', 'K']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [2.09242455e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 2.35586060e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 2.35586060e-34]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 2.35586060e-34]
 [0.00000000e+00 4.71172121e-34 5.00000000e-01]]
cellpar =  Cell([[6.540047203311573, 7.341726505552841e-33, 3.670641255864605e-33], [9.133037290784106e-33, 6.540047203311573, -1.388288801256964e-17], [-4.4667504552268505e-33, -1.3882888012569637e-17, 6.540047203311573]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-7.72581908e-15 -7.72581908e-15 -7.72581908e-15 -2.57015273e-31
  7.52186285e-63 -3.89363210e-63]
energy per atom =  -5.010794096663502
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0