element(s):
['C']
AFLOW prototype label:
A_cF8_227_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.5727']
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 =  227
cell =  [[3.5727, 0, 0], [0, 3.5727, 0], [0, 0, 3.5727]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:27:12      -62.044345        0.9040
BFGS:    1 17:27:12      -62.077749        0.8201
BFGS:    2 17:27:12      -62.175609        0.4812
BFGS:    3 17:27:12      -62.221033        0.1208
BFGS:    4 17:27:12      -62.223952        0.0050
BFGS:    5 17:27:12      -62.223957        0.0000
BFGS:    6 17:27:12      -62.223957        0.0000
BFGS:    7 17:27:12      -62.223957        0.0000
Minimization converged after 7 steps.
Maximum force component: 4.852601535758326e-30 eV/Angstrom
Maximum stress component: 1.0995350421488203e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[9.62964972e-34 1.79753461e-33 8.56843652e-34]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 2.35598647e-33 5.00000000e-01]
 [7.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 2.50000000e-01 2.50000000e-01]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]]
cellpar =  Cell([[3.5150875711271254, 1.7891152439364894e-33, 8.493298963217307e-35], [-1.2430160109169064e-33, 3.5150875711271254, 3.3047626311952397e-18], [8.889547082591613e-35, 3.304762631195239e-18, 3.5150875711271254]])
forces =  [[-2.59960797e-31 -3.17007749e-30 -1.15538132e-30]
 [ 4.85260154e-30  5.77690659e-31 -3.46614395e-31]
 [ 1.38645758e-30  8.08766923e-31 -8.66535989e-31]
 [-1.38645758e-30 -1.84861011e-30 -1.15538132e-30]
 [ 5.77690659e-31  2.88845330e-31 -9.24305054e-31]
 [ 1.15538132e-31  8.08766923e-31 -5.19921593e-31]
 [ 1.15538132e-30 -3.46614395e-31  1.15538132e-31]
 [-7.50997857e-31  5.77690659e-31 -6.35459725e-31]]
stress =  [-1.09953504e-14 -1.09953504e-14 -1.09953504e-14 -3.61375215e-31
 -1.32022173e-64  2.27861011e-64]
energy per atom =  -7.777994614471753
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0