element(s):
['I', 'Li']
AFLOW prototype label:
AB_hP4_194_c_a
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.2428', '1.644645']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['I', 'Li']
representative atom coordinates =  [[0.33333333 0.66666667 0.25      ]
 [0.         0.         0.        ]]
spacegroup =  194
cell =  [[4.2428, 0, 0], [-2.1214, 3.6743725831766, 0], [0, 0, 6.9779]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 12:47:36      -17.040758         7.041452
BFGS:    1 12:47:36      -18.035859         7.344684
BFGS:    2 12:47:36      -19.069796         7.633501
BFGS:    3 12:47:36      -20.136150         7.871605
BFGS:    4 12:47:37      -21.227584         8.073191
BFGS:    5 12:47:37      -22.335572         8.183433
BFGS:    6 12:47:37      -23.445038         8.189659
BFGS:    7 12:47:37      -24.538489         8.089669
BFGS:    8 12:47:37      -25.589190         7.792141
BFGS:    9 12:47:37      -26.569691         7.302204
BFGS:   10 12:47:38      -27.442067         6.530625
BFGS:   11 12:47:38      -28.169957         5.500157
BFGS:   12 12:47:38      -28.712808         4.111471
BFGS:   13 12:47:38      -29.030828         2.450557
BFGS:   14 12:47:38      -29.134945         0.796199
BFGS:   15 12:47:39      -29.154304         0.804974
BFGS:   16 12:47:39      -29.201585         1.666174
BFGS:   17 12:47:39      -29.263882         2.380421
BFGS:   18 12:47:39      -29.495452         1.743085
BFGS:   19 12:47:40      -29.695081         2.810777
BFGS:   20 12:47:40      -29.890668         3.668972
BFGS:   21 12:47:40      -30.072634         4.249673
BFGS:   22 12:47:40      -30.228488         4.524050
BFGS:   23 12:47:41      -30.344835         4.406392
BFGS:   24 12:47:41      -30.407006         3.781887
BFGS:   25 12:47:41      -30.423008         3.304651
BFGS:   26 12:47:42      -30.452256         2.670478
BFGS:   27 12:47:42      -30.541513         1.621359
BFGS:   28 12:47:42      -30.602856         0.509069
BFGS:   29 12:47:43      -30.615148         0.151391
BFGS:   30 12:47:43      -30.615355         0.012156
BFGS:   31 12:47:43      -30.615356         0.000126
BFGS:   32 12:47:44      -30.615356         0.000000
BFGS:   33 12:47:44      -30.615356         0.000000
Minimization converged after 33 steps.
Maximum force component: 1.0748677770874425e-30 eV/Angstrom
Maximum stress component: 3.23849702029016e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['I', 'I', 'Li', 'Li']
basis =  [[3.33333330e-01 6.66666670e-01 2.50000000e-01]
 [6.66666663e-01 3.33333337e-01 7.50000000e-01]
 [9.99999997e-01 3.33333354e-09 0.00000000e+00]
 [9.99999997e-01 3.33333354e-09 5.00000000e-01]]
cellpar =  Cell([[3.904640332773863, -7.871932543695413e-17, 5.425987801218643e-36], [-1.9523201663869314, 3.381517720823491, 3.187561565032885e-36], [1.4993686362694314e-35, 4.3636411238305447e-35, 4.834108863068037]])
forces =  [[ 1.07486778e-30 -9.72543225e-31  3.97233281e-32]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [ 3.23849702e-12  3.23849702e-12  1.87068659e-12 -1.00538199e-33
 -1.74137269e-33  6.97290727e-29]
energy per atom =  -7.653839073427851
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0