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 14:15:27       -3.939888        6.5941
BFGS:    1 14:15:27       -3.366864       12.5228
BFGS:    2 14:15:27       -4.086986        3.0693
BFGS:    3 14:15:27       -4.041666        3.7158
BFGS:    4 14:15:27       -4.073120        1.5895
BFGS:    5 14:15:27       -4.065366        2.6696
BFGS:    6 14:15:27       -4.070394        2.3857
BFGS:    7 14:15:27       -4.090070        4.2306
BFGS:    8 14:15:27       -4.082162        2.4053
BFGS:    9 14:15:27       -4.046564        0.0586
BFGS:   10 14:15:27       -4.045316        3.5759
BFGS:   11 14:15:27       -4.046544        3.5275
BFGS:   12 14:15:27       -4.090040        0.1033
BFGS:   13 14:15:27       -4.090076        4.1797
BFGS:   14 14:15:27       -4.090035        4.2729
BFGS:   15 14:15:27       -4.090066        0.0553
BFGS:   16 14:15:27       -4.090066        0.0546
BFGS:   17 14:15:27       -4.090076        4.1820
BFGS:   18 14:15:27       -4.090066        4.1361
BFGS:   19 14:15:27       -4.003070       10.1302
BFGS:   20 14:15:27       -4.082364       10.3946
BFGS:   21 14:15:27       -2.890804       14.4423
BFGS:   22 14:15:27       -3.894350        4.2926
BFGS:   23 14:15:27       -4.072215        1.5220
BFGS:   24 14:15:27       -4.043630        0.0751
BFGS:   25 14:15:27       -4.045270        3.5777
BFGS:   26 14:15:27       -4.046915        3.5127
BFGS:   27 14:15:27       -4.090040        0.1028
BFGS:   28 14:15:27       -4.090076        4.1797
BFGS:   29 14:15:27       -4.090036        0.1092
BFGS:   30 14:15:27       -4.090038        0.1065
BFGS:   31 14:15:27       -4.090076        0.0000
BFGS:   32 14:15:27       -4.090076        0.0000
BFGS:   33 14:15:27       -4.090076        0.0000
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