element(s):
['C']
AFLOW prototype label:
A_cP1_221_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['1.774']
model name:
ThreeBodyBondOrder_KDS_KhorDasSarma_1988_C__MO_454320668790_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0 0 0]]
spacegroup =  221
cell =  [[1.774, 0, 0], [0, 1.774, 0], [0, 0, 1.774]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:36:38       -3.939888         6.594077
BFGS:    1 16:36:38       -3.366864        12.522809
BFGS:    2 16:36:38       -4.086986         3.069295
BFGS:    3 16:36:38       -4.041666         3.715793
BFGS:    4 16:36:38       -4.073120         1.589473
BFGS:    5 16:36:38       -4.065366         2.669621
BFGS:    6 16:36:38       -4.070394         2.385668
BFGS:    7 16:36:38       -4.090070         0.041505
BFGS:    8 16:36:38       -4.090076         0.000452
BFGS:    9 16:36:38       -4.090076         0.000000
BFGS:   10 16:36:38       -4.090076         0.000000
Minimization converged after 10 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 6.84748724011605e-17 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[1.8007544510007214, -7.796129114595222e-33, 2.7732519312107376e-33], [-5.947637609118389e-33, 1.8007544510007214, -4.1129088040047334e-19], [-1.8592383307389006e-33, -4.112908804004733e-19, 1.8007544510007214]])
forces =  [[0. 0. 0.]]
stress =  [-6.84748724e-17 -6.84748724e-17 -6.84748724e-17 -4.81778336e-34
  2.17664251e-50 -4.38443543e-65]
energy per atom =  -4.090076319534826
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0