element(s):
['B', 'C']
AFLOW prototype label:
AB7_cP8_215_a_ce
Parameter names:
['a', 'x3']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.6201', '0.25473188']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['B', 'C', 'C']
representative atom coordinates =  [[0.         0.         0.        ]
 [0.         0.5        0.5       ]
 [0.25473188 0.25473188 0.25473188]]
spacegroup =  215
cell =  [[3.6201, 0, 0], [0, 3.6201, 0], [0, 0, 3.6201]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 12:08:25     -133.195432        14.834222
BFGS:    1 12:08:25     -136.013914        14.046746
BFGS:    2 12:08:26     -138.119752        12.971483
BFGS:    3 12:08:26     -139.995066        11.702537
BFGS:    4 12:08:26     -141.648073        10.213002
BFGS:    5 12:08:26     -143.054862         8.470806
BFGS:    6 12:08:26     -144.180331         6.458478
BFGS:    7 12:08:27     -144.980775         4.127100
BFGS:    8 12:08:27     -145.403978         1.428377
BFGS:    9 12:08:27     -145.454732         0.173131
BFGS:   10 12:08:27     -145.455452         0.005755
BFGS:   11 12:08:27     -145.455453         0.002614
BFGS:   12 12:08:27     -145.455453         0.000598
BFGS:   13 12:08:28     -145.455453         0.000013
BFGS:   14 12:08:28     -145.455453         0.000001
BFGS:   15 12:08:29     -145.455453         0.000000
Minimization converged after 15 steps.
Maximum force component: 4.069423895934231e-09 eV/Angstrom
Maximum stress component: 1.4975423075395478e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['B', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [7.51630644e-36 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [2.60393015e-01 2.60393015e-01 2.60393015e-01]
 [7.39606985e-01 7.39606985e-01 2.60393015e-01]
 [7.39606985e-01 2.60393015e-01 7.39606985e-01]
 [2.60393015e-01 7.39606985e-01 7.39606985e-01]]
cellpar =  Cell([[3.428348425482588, -1.6263149027530897e-32, -1.1200084930057235e-33], [5.331203627892913e-33, 3.428348425482588, 3.969375296679093e-18], [-5.432004199246661e-34, 3.969375296679087e-18, 3.428348425482588]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-2.25374170e-31 -1.80299336e-30  1.80299336e-30]
 [ 3.60598672e-30  4.50748340e-31  5.21880832e-49]
 [-1.80299336e-30  3.60598672e-30  4.50748340e-31]
 [-4.06942390e-09 -4.06942390e-09 -4.06942390e-09]
 [ 4.06942390e-09  4.06942390e-09 -4.06942390e-09]
 [ 4.06942390e-09 -4.06942390e-09  4.06942390e-09]
 [-4.06942390e-09  4.06942390e-09  4.06942390e-09]]
stress =  [-1.49754231e-10 -1.49754231e-10 -1.49754231e-10  1.23446429e-27
 -5.56116367e-60 -4.48911800e-59]
energy per atom =  -18.181931658813664
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0