element(s):
['I']
AFLOW prototype label:
A_tI2_139_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:
['3.2326', '2.6559735']
model name:
Sim_LAMMPS_EIM_Zhou_2010_BrClCsFIKLiNaRb__SM_259779394709_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['I']
representative atom coordinates =  [[0 0 0]]
spacegroup =  139
cell =  [[3.2326, 0, 0], [0, 3.2326, 0], [0, 0, 8.5857]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:08:45       17.401871       35.9526
BFGS:    1 17:08:45       14.077743       30.6039
BFGS:    2 17:08:45       11.246327       25.9766
BFGS:    3 17:08:45        8.843151       21.9860
BFGS:    4 17:08:45        6.812981       18.5271
BFGS:    5 17:08:45        5.107745       15.5290
BFGS:    6 17:08:45        3.683429       12.9739
BFGS:    7 17:08:45        2.499168       10.7229
BFGS:    8 17:08:45        1.525849        8.7883
BFGS:    9 17:08:46        0.731664        7.1380
BFGS:   10 17:08:46        0.089197        5.7359
BFGS:   11 17:08:46       -0.425561        4.5552
BFGS:   12 17:08:46       -0.834038        3.5750
BFGS:   13 17:08:46       -1.155531        2.7765
BFGS:   14 17:08:46       -1.407259        2.1402
BFGS:   15 17:08:46       -1.604169        1.6434
BFGS:   16 17:08:46       -1.758653        1.2605
BFGS:   17 17:08:46       -1.880418        0.9655
BFGS:   18 17:08:46       -1.976609        0.7342
BFGS:   19 17:08:46       -2.052195        0.5469
BFGS:   20 17:08:46       -2.110513        0.4231
BFGS:   21 17:08:46       -2.153829        0.3819
BFGS:   22 17:08:46       -2.183803        0.3342
BFGS:   23 17:08:47       -2.201806        0.2773
BFGS:   24 17:08:47       -2.209079        0.2037
BFGS:   25 17:08:47       -2.209935        0.1684
BFGS:   26 17:08:47       -2.210765        0.0739
BFGS:   27 17:08:47       -2.211451        0.0599
BFGS:   28 17:08:47       -2.211951        0.0043
BFGS:   29 17:08:47       -2.211953        0.0003
BFGS:   30 17:08:47       -2.211953        0.0000
BFGS:   31 17:08:47       -2.211953        0.0000
Minimization converged after 31 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.878867454948627e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['I', 'I']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[5.186386412566694, 1.395351304827614e-33, 2.191013841588798e-32], [4.241883878052485e-34, 5.186386412566694, 2.3763034128303984e-17], [5.674255762848747e-32, 2.809989403800135e-17, 7.30404826179022]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-3.87886745e-11 -3.87886745e-11 -2.81038597e-11 -7.64644518e-27
  8.13452059e-35  4.06283296e-51]
energy per atom =  -1.1059765753028017
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Prototype label changed during relaxation: test template prototype is A_tI2_139_a, while relaxed is A_cF4_225_a. Skipping parameter set 0.
No parameter sets in this group successfully added a property instance. Skipping this group.