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 16:49:39      -32.731343         4.963367
BFGS:    1 16:49:40      -33.472592         4.915960
BFGS:    2 16:49:40      -34.204852         4.842947
BFGS:    3 16:49:40      -34.924014         4.740681
BFGS:    4 16:49:40      -35.625749         4.614396
BFGS:    5 16:49:41      -36.305426         4.441231
BFGS:    6 16:49:41      -36.955962         4.224931
BFGS:    7 16:49:41      -37.570458         3.959667
BFGS:    8 16:49:42      -38.141297         3.649141
BFGS:    9 16:49:42      -38.660764         3.265948
BFGS:   10 16:49:42      -39.120322         2.835373
BFGS:   11 16:49:42      -39.506669         2.301681
BFGS:   12 16:49:43      -39.806283         1.677083
BFGS:   13 16:49:43      -40.004661         0.949777
BFGS:   14 16:49:43      -40.085420         0.106482
BFGS:   15 16:49:43      -40.086346         0.008981
BFGS:   16 16:49:44      -40.086353         0.000076
BFGS:   17 16:49:44      -40.086353         0.000000
BFGS:   18 16:49:44      -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]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.88965151e-35 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 8.36969819e-49 4.18484910e-49]
 [8.36969819e-49 5.00000000e-01 0.00000000e+00]
 [0.00000000e+00 5.88965151e-35 5.00000000e-01]]
cellpar =  Cell([[6.540047203311573, 5.451027100792578e-32, 1.4658173539983651e-32], [2.7903512545445524e-32, 6.540047203311573, -4.794051620024612e-18], [-2.082163430071727e-32, -4.7940516200245816e-18, 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  2.42192757e-32
  3.24929315e-62 -1.67469219e-62]
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