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 15:48:37      -17.040758        7.0415
BFGS:    1 15:48:37      -18.035859        7.3447
BFGS:    2 15:48:37      -19.069796        7.6335
BFGS:    3 15:48:37      -20.136150        7.8716
BFGS:    4 15:48:37      -21.227584        8.0732
BFGS:    5 15:48:37      -22.335572        8.1834
BFGS:    6 15:48:37      -23.445038        8.1897
BFGS:    7 15:48:37      -24.538489        8.0897
BFGS:    8 15:48:37      -25.589190        7.7921
BFGS:    9 15:48:37      -26.569691        7.3022
BFGS:   10 15:48:37      -27.442067        6.5306
BFGS:   11 15:48:37      -28.169957        5.5002
BFGS:   12 15:48:37      -28.712808        4.1115
BFGS:   13 15:48:37      -29.030828        2.4506
BFGS:   14 15:48:37      -29.134945        0.7962
BFGS:   15 15:48:37      -29.154304        0.8050
BFGS:   16 15:48:37      -29.201585        1.6662
BFGS:   17 15:48:37      -29.263882        2.3804
BFGS:   18 15:48:37      -29.495452        1.7431
BFGS:   19 15:48:37      -29.695081        2.8108
BFGS:   20 15:48:37      -29.890668        3.6690
BFGS:   21 15:48:37      -30.072634        4.2497
BFGS:   22 15:48:37      -30.228488        4.5240
BFGS:   23 15:48:37      -30.344835        4.4064
BFGS:   24 15:48:37      -30.407006        3.7819
BFGS:   25 15:48:37      -30.423008        3.3047
BFGS:   26 15:48:38      -30.452256        2.6705
BFGS:   27 15:48:38      -30.541513        1.6214
BFGS:   28 15:48:38      -30.602856        0.5091
BFGS:   29 15:48:38      -30.615148        0.1514
BFGS:   30 15:48:38      -30.615355        0.0122
BFGS:   31 15:48:38      -30.615356        0.0001
BFGS:   32 15:48:38      -30.615356        0.0000
BFGS:   33 15:48:38      -30.615356        0.0000
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