element(s):
['Na']
AFLOW prototype label:
A_cI2_229_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.1144']
model name:
Sim_LAMMPS_EIM_Zhou_2010_BrClCsFIKLiNaRb__SM_259779394709_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Na']
representative atom coordinates =  [[0 0 0]]
spacegroup =  229
cell =  [[4.1144, 0, 0], [0, 4.1144, 0], [0, 0, 4.1144]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 14:05:58       -2.089835         1.007095
BFGS:    1 14:05:58       -2.130256         0.867237
BFGS:    2 14:05:59       -2.226960         0.435212
BFGS:    3 14:05:59       -2.264345         0.073987
BFGS:    4 14:05:59       -2.265593         0.007686
BFGS:    5 14:05:59       -2.265607         0.000160
BFGS:    6 14:05:59       -2.265607         0.000000
BFGS:    7 14:05:59       -2.265607         0.000000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.2612302382116714e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Na', 'Na']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[4.373279643172737, -1.1525456496784836e-32, 4.004736226222764e-34], [-6.106604547718276e-33, 4.373279643172737, 6.699299163646761e-18], [-2.528054883113233e-33, 6.6992991636467635e-18, 4.373279643172737]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-4.26123024e-13 -4.26123024e-13 -4.26123024e-13 -1.20819817e-29
 -1.07412472e-34 -1.94979966e-51]
energy per atom =  -1.1328036766086693
===============================================
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 "Body-Centered Cubic" 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.