element(s):
['B', 'C']
AFLOW prototype label:
AB7_hP8_156_b_4ab2c
Parameter names:
['a', 'c/a', 'z1', 'z2', 'z3', 'z4', 'z5', 'z6', 'z7', 'z8']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.5356', '3.3601514', '0.24492455', '0.42631664', '0.93646395', '0.76101855', '0.67747628', '0.48775727', '8.8222396e-05', '0.18348453']
model name:
Tersoff_LAMMPS_KinaciHaskinsSevik_2012_BNC__MO_105008013807_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['B', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
representative atom coordinates =  [[3.3333333e-01 6.6666667e-01 6.7747628e-01]
 [0.0000000e+00 0.0000000e+00 2.4492455e-01]
 [0.0000000e+00 0.0000000e+00 4.2631664e-01]
 [0.0000000e+00 0.0000000e+00 9.3646395e-01]
 [0.0000000e+00 0.0000000e+00 7.6101855e-01]
 [3.3333333e-01 6.6666667e-01 4.8775727e-01]
 [6.6666667e-01 3.3333333e-01 8.8222396e-05]
 [6.6666667e-01 3.3333333e-01 1.8348453e-01]]
spacegroup =  156
cell =  [[2.5356, 0, 0], [-1.2678, 2.1958940138358, 0], [0, 0, 8.52]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:32:02      -49.533289         1.903964
BFGS:    1 16:32:02      -49.598793         0.724334
BFGS:    2 16:32:02      -49.628595         0.671390
BFGS:    3 16:32:02      -49.679107         0.733935
BFGS:    4 16:32:02      -49.704564         0.778307
BFGS:    5 16:32:02      -49.720532         0.428221
BFGS:    6 16:32:02      -49.726126         0.244489
BFGS:    7 16:32:02      -49.729215         0.241436
BFGS:    8 16:32:02      -49.731663         0.163365
BFGS:    9 16:32:02      -49.732614         0.101216
BFGS:   10 16:32:02      -49.733038         0.093088
BFGS:   11 16:32:02      -49.733460         0.081599
BFGS:   12 16:32:02      -49.733981         0.078803
BFGS:   13 16:32:02      -49.734372         0.066971
BFGS:   14 16:32:02      -49.734510         0.025043
BFGS:   15 16:32:02      -49.734535         0.011818
BFGS:   16 16:32:02      -49.734542         0.007803
BFGS:   17 16:32:02      -49.734546         0.004157
BFGS:   18 16:32:02      -49.734547         0.001278
BFGS:   19 16:32:02      -49.734547         0.000475
BFGS:   20 16:32:02      -49.734547         0.000127
BFGS:   21 16:32:02      -49.734547         0.000029
BFGS:   22 16:32:02      -49.734547         0.000003
BFGS:   23 16:32:02      -49.734547         0.000000
BFGS:   24 16:32:02      -49.734547         0.000000
BFGS:   25 16:32:02      -49.734547         0.000000
Minimization converged after 25 steps.
Maximum force component: 8.252951877452121e-09 eV/Angstrom
Maximum stress component: 1.6306634234262706e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['B', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[3.33333330e-01 6.66666670e-01 6.80099268e-01]
 [9.99999997e-01 3.33333341e-09 2.44894265e-01]
 [9.99999997e-01 3.33333341e-09 4.30877662e-01]
 [9.99999997e-01 3.33333341e-09 9.36929729e-01]
 [9.99999997e-01 3.33333341e-09 7.53298064e-01]
 [3.33333330e-01 6.66666670e-01 4.89156351e-01]
 [6.66666663e-01 3.33333337e-01 9.98392408e-01]
 [6.66666663e-01 3.33333337e-01 1.83882245e-01]]
cellpar =  Cell([[2.5924372944687, 5.130701255067857e-18, 3.636579299467378e-40], [-1.29621864723435, 2.2451165547280936, -1.0262974807947174e-38], [1.1996245873944572e-39, 3.301210278888797e-39, 8.521517447909641]])
forces =  [[ 1.09997418e-48  3.02698535e-48  7.81365206e-09]
 [ 6.18332222e-49  1.70156956e-48  4.39231479e-09]
 [-8.44817444e-50 -2.32482733e-49 -6.00114958e-10]
 [ 9.46574399e-49  2.60484919e-48  6.72397877e-09]
 [-9.93646590e-49 -2.73438572e-48 -7.05835546e-09]
 [-1.16181702e-48 -3.19716878e-48 -8.25295188e-09]
 [-3.20495889e-49 -8.81962852e-49 -2.27663832e-09]
 [-1.04438445e-49 -2.87400967e-49 -7.41877115e-10]]
stress =  [ 1.63066342e-10  1.63066342e-10 -7.74509766e-11  1.04041633e-47
  3.73437252e-48 -3.76887954e-26]
energy per atom =  -6.216818365691025
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0