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:
Sim_LAMMPS_EIM_Zhou_2010_BrClCsFIKLiNaRb__SM_259779394709_001
==== 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 13:02:51      -10.753401         1.370765
BFGS:    1 13:02:51      -10.792417         0.816751
BFGS:    2 13:02:51      -10.810131         0.236761
BFGS:    3 13:02:51      -10.811294         0.136348
BFGS:    4 13:02:51      -10.812766         0.142275
BFGS:    5 13:02:52      -10.813914         0.098139
BFGS:    6 13:02:52      -10.814338         0.033153
BFGS:    7 13:02:52      -10.814388         0.006982
BFGS:    8 13:02:52      -10.814390         0.000403
BFGS:    9 13:02:52      -10.814390         0.000023
BFGS:   10 13:02:52      -10.814390         0.000001
BFGS:   11 13:02:52      -10.814390         0.000000
Minimization converged after 11 steps.
Maximum force component: 7.195674962781025e-52 eV/Angstrom
Maximum stress component: 2.603881225527447e-10 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([[4.2573621342245165, 6.242617515776681e-18, -1.9682789060484262e-36], [-2.1286810671122582, 3.6869837613483667, 2.4254931602799605e-36], [-4.624553674904448e-36, 1.4539733742566401e-36, 7.106685100530438]])
forces =  [[-4.68246230e-88  1.47218002e-88  7.19567496e-52]
 [ 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 =  [-1.06515249e-10 -1.06515249e-10 -2.60388123e-10  1.56805361e-33
 -2.16002405e-45  5.55311317e-26]
energy per atom =  -2.7035975377358668
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Skipping parameter set 0 because of error while adding or validating property:
 
ERROR(@kim_property_modify): input value "metal-nitride; N1Ta1, ICSD #105123" doesn't meet the format specification. An integer equal to or greater than 1 or integer indices range of "start:stop".
No parameter sets in this group successfully added a property instance. Skipping this group.