element(s):
['C']
AFLOW prototype label:
A_hP4_194_f
Parameter names:
['a', 'c/a', 'z1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.5124', '1.6642254', '0.062750617']
model name:
ThreeBodyBondOrder_KDS_KhorDasSarma_1988_C__MO_454320668790_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.33333333 0.66666667 0.06275062]]
spacegroup =  194
cell =  [[2.5124, 0, 0], [-1.2562, 2.175802224468, 0], [0, 0, 4.1812]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:26:23      -30.999406        1.2907
BFGS:    1 15:26:23      -31.038972        0.9144
BFGS:    2 15:26:23      -31.095489        0.6386
BFGS:    3 15:26:23             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 =  [[0.33333333 0.66666667 0.06363035]
 [0.66666666 0.33333334 0.56363035]
 [0.66666666 0.33333334 0.93636965]
 [0.33333333 0.66666667 0.43636965]]
cellpar =  Cell([[2.475182013675764, 2.841312254421483e-18, 1.956835010135743e-36], [-1.237591006837882, 2.143570502833535, -3.785386133294592e-36], [-3.333955536296288e-37, 5.4263831310307024e-36, 4.087693952830267]])
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.