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 10:41:45       -3.939888         6.594077
BFGS:    1 10:41:45       -3.366864        12.522809
BFGS:    2 10:41:45       -4.086986         3.069295
BFGS:    3 10:41:45       -4.041666         3.715793
BFGS:    4 10:41:45       -4.073120         1.589473
BFGS:    5 10:41:45       -4.065366         2.669621
BFGS:    6 10:41:45       -4.070394         2.385668
BFGS:    7 10:41:45       -4.090070         4.230601
BFGS:    8 10:41:45       -4.082162         2.405280
BFGS:    9 10:41:45       -4.046564         0.058589
BFGS:   10 10:41:45       -4.045316         3.575930
BFGS:   11 10:41:45       -4.046544         3.527499
BFGS:   12 10:41:45       -4.090040         0.103307
BFGS:   13 10:41:45       -4.090076         4.179675
BFGS:   14 10:41:45       -4.090035         4.272932
BFGS:   15 10:41:45       -4.090066         0.055299
BFGS:   16 10:41:45       -4.090066         0.054584
BFGS:   17 10:41:45       -4.090076         4.181958
BFGS:   18 10:41:45       -4.090066         4.136131
BFGS:   19 10:41:45       -4.003070        10.130222
BFGS:   20 10:41:45       -4.082364        10.394573
BFGS:   21 10:41:45       -2.890804        14.442330
BFGS:   22 10:41:45       -3.894350         4.292632
BFGS:   23 10:41:45       -4.072215         1.521979
BFGS:   24 10:41:45       -4.043630         0.075142
BFGS:   25 10:41:45       -4.045270         3.577711
BFGS:   26 10:41:45       -4.046915         3.512733
BFGS:   27 10:41:45       -4.090040         0.102785
BFGS:   28 10:41:45       -4.090076         4.179701
BFGS:   29 10:41:45       -4.090036         0.109223
BFGS:   30 10:41:45       -4.090038         0.106492
BFGS:   31 10:41:45       -4.090076         0.000036
BFGS:   32 10:41:45       -4.090076         0.000000
BFGS:   33 10:41:45       -4.090076         0.000000
Minimization converged after 33 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 6.909960365135931e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[1.8007544510007063, 1.6572777930213676e-32, -1.8416315349189138e-32], [6.236943430995148e-33, 1.8007544510007063, -1.2707046199408102e-17], [1.5630065526059445e-33, -1.2707046199408134e-17, 1.8007544510007063]])
forces =  [[0. 0. 0.]]
stress =  [-6.90996037e-13 -6.90996037e-13 -6.90996037e-13 -1.18830866e-30
  6.29783860e-46  3.05865785e-61]
energy per atom =  -4.09007631953479
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0