element(s):
['Si']
AFLOW prototype label:
A_cF4_225_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.868']
model name:
ThreeBodyBondOrder_KDS_KhorDasSarma_1988_Si__MO_722489435928_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si']
representative atom coordinates =  [[0 0 0]]
spacegroup =  225
cell =  [[3.868, 0, 0], [0, 3.868, 0], [0, 0, 3.868]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:17:07       22.082604       24.6483
BFGS:    1 17:17:07       17.663000       27.6140
BFGS:    2 17:17:07       13.812021       23.7125
BFGS:    3 17:17:07       10.548419       12.1363
BFGS:    4 17:17:07        7.853168       16.1618
BFGS:    5 17:17:07        5.682553       13.8747
BFGS:    6 17:17:07             nan           nan
Minimization stalled after 6 steps.
Maximum force component: nan eV/Angstrom
Maximum stress component: nan eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si']
basis =  [[0.0000000e+00 0.0000000e+00 0.0000000e+00]
 [0.0000000e+00 5.0000000e-01 5.0000000e-01]
 [5.0000000e-01 3.7054038e-34 5.0000000e-01]
 [5.0000000e-01 5.0000000e-01 3.7054038e-34]]
cellpar =  Cell([[4.158100000000001, -1.6957989584690128e-32, 5.004611014836155e-35], [-1.4130884351008177e-32, 4.158100000000001, -1.6011615554863368e-17], [4.101066174094728e-33, -1.6011615554863368e-17, 4.158100000000001]])
forces =  [[nan nan nan]
 [nan nan nan]
 [nan nan nan]
 [nan nan nan]]
stress =  [nan nan nan nan nan nan]
energy per atom =  nan
===============================================
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:
 Out of range float values are not KIM-EDN compliant: nan
No parameter sets in this group successfully added a property instance. Skipping this group.