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_001
==== 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 13:06:10       17.401871        35.952584
BFGS:    1 13:06:10       14.077743        30.603890
BFGS:    2 13:06:10       11.246327        25.976563
BFGS:    3 13:06:10        8.843151        21.985968
BFGS:    4 13:06:10        6.812981        18.527079
BFGS:    5 13:06:10        5.107745        15.529005
BFGS:    6 13:06:11        3.683429        12.973878
BFGS:    7 13:06:11        2.499168        10.722855
BFGS:    8 13:06:11        1.525849         8.788292
BFGS:    9 13:06:11        0.731664         7.138004
BFGS:   10 13:06:11        0.089197         5.735934
BFGS:   11 13:06:11       -0.425561         4.555209
BFGS:   12 13:06:12       -0.834038         3.574958
BFGS:   13 13:06:12       -1.155531         2.776549
BFGS:   14 13:06:12       -1.407259         2.140247
BFGS:   15 13:06:12       -1.604169         1.643377
BFGS:   16 13:06:12       -1.758653         1.260523
BFGS:   17 13:06:12       -1.880418         0.965510
BFGS:   18 13:06:12       -1.976609         0.734188
BFGS:   19 13:06:12       -2.052195         0.546860
BFGS:   20 13:06:13       -2.110513         0.423125
BFGS:   21 13:06:13       -2.153829         0.381861
BFGS:   22 13:06:13       -2.183803         0.334175
BFGS:   23 13:06:13       -2.201806         0.277331
BFGS:   24 13:06:13       -2.209079         0.203709
BFGS:   25 13:06:13       -2.209935         0.168438
BFGS:   26 13:06:13       -2.210765         0.073946
BFGS:   27 13:06:13       -2.211451         0.059860
BFGS:   28 13:06:14       -2.211951         0.004339
BFGS:   29 13:06:14       -2.211953         0.000283
BFGS:   30 13:06:14       -2.211953         0.000001
BFGS:   31 13:06:14       -2.211953         0.000000
Minimization converged after 31 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.8788757705858345e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['I', 'I']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[5.186386412566692, 2.2711446694906142e-33, -2.9115055591930123e-32], [1.6630190820991976e-33, 5.186386412566692, -1.8668408272483817e-17], [-6.0208634521696576e-33, -6.898280014881208e-17, 7.304048261790217]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-3.87887577e-11 -3.87887577e-11 -2.81039605e-11 -4.64195008e-27
 -4.06726030e-35  3.31219939e-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.