element(s):
['I', 'Li']
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:
['6.0181']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['I', 'Li']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  225
cell =  [[6.0181, 0, 0], [0, 6.0181, 0], [0, 0, 6.0181]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 12:12:07      -33.621640         6.684632
BFGS:    1 12:12:07      -34.635521         6.833015
BFGS:    2 12:12:07      -35.671278         6.976062
BFGS:    3 12:12:07      -36.727997         7.112254
BFGS:    4 12:12:07      -37.804524         7.239852
BFGS:    5 12:12:07      -38.899424         7.356866
BFGS:    6 12:12:07      -40.010942         7.461025
BFGS:    7 12:12:07      -41.137732         7.562798
BFGS:    8 12:12:07      -42.280362         7.672095
BFGS:    9 12:12:07      -43.435296         7.723114
BFGS:   10 12:12:08      -44.596025         7.748686
BFGS:   11 12:12:08      -45.758414         7.744473
BFGS:   12 12:12:08      -46.917632         7.705544
BFGS:   13 12:12:08      -48.068062         7.626295
BFGS:   14 12:12:08      -49.203188         7.500364
BFGS:   15 12:12:08      -50.315477         7.320526
BFGS:   16 12:12:09      -51.396242         7.078579
BFGS:   17 12:12:09      -52.435482         6.765212
BFGS:   18 12:12:09      -53.421709         6.369857
BFGS:   19 12:12:09      -54.341743         5.880517
BFGS:   20 12:12:09      -55.187078         5.365386
BFGS:   21 12:12:09      -55.939841         4.649586
BFGS:   22 12:12:10      -56.574939         3.793412
BFGS:   23 12:12:10      -57.069854         2.776940
BFGS:   24 12:12:10      -57.398880         1.577534
BFGS:   25 12:12:10      -57.532687         0.169466
BFGS:   26 12:12:10      -57.534083         0.015421
BFGS:   27 12:12:10      -57.534094         0.000133
BFGS:   28 12:12:10      -57.534094         0.000000
BFGS:   29 12:12:10      -57.534094         0.000000
Minimization converged after 29 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.5627119124186456e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['I', 'I', 'I', 'I', 'Li', 'Li', 'Li', 'Li']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 1.51838741e-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 7.59193706e-34]
 [5.39439572e-49 0.00000000e+00 5.00000000e-01]]
cellpar =  Cell([[5.073619368452194, 2.0380246397771632e-32, -1.792249684797645e-32], [8.812549365814333e-33, 5.073619368452193, 1.0619941500214144e-17], [3.610232187254453e-32, 1.0619941500214135e-17, 5.073619368452194]])
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 =  [-3.56271191e-14 -3.56271191e-14 -3.56271191e-14 -4.36549211e-31
  9.97570177e-35 -2.23562973e-51]
energy per atom =  -7.191761774654872
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0