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 14:33:59      -32.731343        4.9634
BFGS:    1 14:33:59      -33.472592        4.9160
BFGS:    2 14:33:59      -34.204852        4.8429
BFGS:    3 14:33:59      -34.924014        4.7407
BFGS:    4 14:33:59      -35.625749        4.6144
BFGS:    5 14:33:59      -36.305426        4.4412
BFGS:    6 14:33:59      -36.955962        4.2249
BFGS:    7 14:33:59      -37.570458        3.9597
BFGS:    8 14:33:59      -38.141297        3.6491
BFGS:    9 14:33:59      -38.660764        3.2659
BFGS:   10 14:33:59      -39.120322        2.8354
BFGS:   11 14:33:59      -39.506669        2.3017
BFGS:   12 14:33:59      -39.806283        1.6771
BFGS:   13 14:33:59      -40.004661        0.9498
BFGS:   14 14:33:59      -40.085420        0.1065
BFGS:   15 14:33:59      -40.086346        0.0090
BFGS:   16 14:33:59      -40.086353        0.0001
BFGS:   17 14:33:59      -40.086353        0.0000
BFGS:   18 14:33:59      -40.086353        0.0000
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