element(s):
['Br', 'K']
AFLOW prototype label:
AB_cF8_225_a_b
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.6991']
model name:
Sim_LAMMPS_EIM_Zhou_2010_BrClCsFIKLiNaRb__SM_259779394709_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Br', 'K']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  225
cell =  [[6.6991, 0, 0], [0, 6.6991, 0], [0, 0, 6.6991]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 14:02:12      -23.348203         1.987563
BFGS:    1 14:02:13      -23.503397         1.650075
BFGS:    2 14:02:13      -23.700698         0.958812
BFGS:    3 14:02:14      -23.783960         0.125831
BFGS:    4 14:02:14      -23.785238         0.012704
BFGS:    5 14:02:15      -23.785252         0.000235
BFGS:    6 14:02:16      -23.785252         0.000001
BFGS:    7 14:02:16      -23.785252         0.000000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.6524989513188155e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Br', 'Br', 'Br', 'Br', 'K', 'K', 'K', 'K']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 2.33947593e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 2.33947593e-34]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 0.00000000e+00]
 [4.15574407e-49 5.00000000e-01 1.16973796e-34]
 [1.03893602e-49 0.00000000e+00 5.00000000e-01]]
cellpar =  Cell([[6.585850856452673, -3.5173509904162013e-32, 8.946914234195991e-33], [-3.560213694655483e-32, 6.585850856452673, -1.0063313119799456e-17], [-7.619345824757977e-33, -1.0063313119799455e-17, 6.585850856452673]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 4.65249895e-12  4.65249895e-12  4.65249895e-12 -3.07886855e-29
 -3.70028740e-37  2.31679699e-54]
energy per atom =  -2.973156457995248
===============================================
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 "Rock Salt" 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.