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 16:32:23     -133.195432        14.834222
BFGS:    1 16:32:23     -136.013914        14.046746
BFGS:    2 16:32:23     -138.119752        12.971483
BFGS:    3 16:32:23     -139.995066        11.702537
BFGS:    4 16:32:23     -141.648073        10.213002
BFGS:    5 16:32:23     -143.054862         8.470806
BFGS:    6 16:32:23     -144.180331         6.458478
BFGS:    7 16:32:23     -144.980775         4.127100
BFGS:    8 16:32:23     -145.403978         1.428377
BFGS:    9 16:32:23     -145.454732         0.173131
BFGS:   10 16:32:23     -145.455452         0.005755
BFGS:   11 16:32:23     -145.455453         0.002614
BFGS:   12 16:32:23     -145.455453         0.000598
BFGS:   13 16:32:23     -145.455453         0.000013
BFGS:   14 16:32:23     -145.455453         0.000001
BFGS:   15 16:32:23     -145.455453         0.000000
Minimization converged after 15 steps.
Maximum force component: 4.069486579747622e-09 eV/Angstrom
Maximum stress component: 1.4978411265931932e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['B', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[2.91985203e-36 2.40234980e-84 7.50734311e-86]
 [0.00000000e+00 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([[3.428348425482587, -8.909135864508464e-33, 6.772711105276799e-34], [-6.952252578144079e-33, 3.428348425482587, 7.664719351229613e-19], [-3.279145455483778e-34, 7.66471935122959e-19, 3.428348425482587]])
forces =  [[ 1.12687085e-31  1.12687085e-31  5.63435425e-32]
 [-3.74246650e-63  1.80299336e-30  9.01496681e-31]
 [ 1.80299336e-30  2.01546582e-49  9.01496681e-31]
 [ 1.80299336e-30  1.80299336e-30  4.03093163e-49]
 [-4.06948658e-09 -4.06948658e-09 -4.06948658e-09]
 [ 4.06948658e-09  4.06948658e-09 -4.06948658e-09]
 [ 4.06948658e-09 -4.06948658e-09  4.06948658e-09]
 [-4.06948658e-09  4.06948658e-09  4.06948658e-09]]
stress =  [-1.49784113e-10 -1.49784113e-10 -1.49784113e-10  2.15865732e-27
 -4.47444597e-32  2.19407948e-49]
energy per atom =  -18.18193165881365
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0