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 15:25:47      -62.044345         0.903967
BFGS:    1 15:25:47      -62.077749         0.820083
BFGS:    2 15:25:47      -62.175609         0.481209
BFGS:    3 15:25:47      -62.221033         0.120761
BFGS:    4 15:25:47      -62.223952         0.004999
BFGS:    5 15:25:47      -62.223957         0.000049
BFGS:    6 15:25:47      -62.223957         0.000000
BFGS:    7 15:25:47      -62.223957         0.000000
Minimization converged after 7 steps.
Maximum force component: 1.7330719770565463e-30 eV/Angstrom
Maximum stress component: 1.3277404282065481e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[4.86636358e-50 4.49383654e-34 5.09837659e-34]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 1.69850187e-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([[3.5150875711271286, 2.8236030483715485e-34, 3.6787495894327703e-37], [3.9784376925149475e-34, 3.5150875711271286, 1.4696433572962105e-18], [3.361262362013163e-35, 1.4696433572962107e-18, 3.5150875711271286]])
forces =  [[ 8.08766923e-31 -1.15538132e-31  3.46614395e-31]
 [-1.03984319e-30 -5.77690659e-31 -4.62152527e-31]
 [-4.04383461e-31 -1.15538132e-31  5.77690659e-31]
 [ 3.46614395e-31 -3.46614395e-31  2.88845330e-31]
 [-2.31076264e-31 -9.82074120e-31 -6.93228791e-31]
 [ 6.93228791e-31  3.46614395e-31  1.73307198e-31]
 [-3.32172129e-31 -6.78786524e-31  3.03287596e-31]
 [-8.08766923e-31  5.77690659e-31 -1.73307198e-30]]
stress =  [-1.32774043e-14 -1.32774043e-14 -1.32774043e-14 -1.45905550e-31
  7.98064786e-32  8.90754604e-49]
energy per atom =  -7.777994614471702
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0