element(s):
['C']
AFLOW prototype label:
A_hP4_194_bc
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:
['2.4677', '3.3769097']
model name:
ThreeBodyBondOrder_KDS_KhorDasSarma_1988_C__MO_454320668790_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C']
representative atom coordinates =  [[0.         0.         0.25      ]
 [0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[2.4677, 0, 0], [-1.23385, 2.1370908889189, 0], [0, 0, 8.3332]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:23:31       19.386321       27.8482
BFGS:    1 15:23:31      -37.479368        4.0075
BFGS:    2 15:23:31      -37.529214        3.9168
BFGS:    3 15:23:31             nan           nan
Minimization stalled after 3 steps.
Maximum force component: nan eV/Angstrom
Maximum stress component: nan eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C']
basis =  [[1.60494162e-35 0.00000000e+00 2.50000000e-01]
 [0.00000000e+00 3.00926554e-35 7.50000000e-01]
 [3.33333333e-01 6.66666667e-01 2.50000000e-01]
 [6.66666667e-01 3.33333333e-01 7.50000000e-01]]
cellpar =  Cell([[2.4638195184696534, -1.2182814694675366e-17, -1.4580673964366955e-50], [-1.2319097592348267, 2.133730293334662, -1.4860808331685084e-39], [5.908329974319536e-52, 6.96518219145637e-36, 8.333199999999998]])
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.