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 09:29:51     -133.195432       14.8342
BFGS:    1 09:29:51     -136.013914       14.0467
BFGS:    2 09:29:51     -138.119752       12.9715
BFGS:    3 09:29:51     -139.995066       11.7025
BFGS:    4 09:29:51     -141.648073       10.2130
BFGS:    5 09:29:51     -143.054862        8.4708
BFGS:    6 09:29:51     -144.180331        6.4585
BFGS:    7 09:29:51     -144.980775        4.1271
BFGS:    8 09:29:51     -145.403978        1.4284
BFGS:    9 09:29:51     -145.454732        0.1731
BFGS:   10 09:29:51     -145.455452        0.0058
BFGS:   11 09:29:51     -145.455453        0.0026
BFGS:   12 09:29:52     -145.455453        0.0006
BFGS:   13 09:29:52     -145.455453        0.0000
BFGS:   14 09:29:52     -145.455453        0.0000
BFGS:   15 09:29:52     -145.455453        0.0000
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