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:
Tersoff_LAMMPS_KinaciHaskinsSevik_2012_BNC__MO_105008013807_000
==== 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 16:32:02      -49.643864         0.630858
BFGS:    1 16:32:02      -49.663857         0.582654
BFGS:    2 16:32:02      -49.723435         0.417472
BFGS:    3 16:32:02      -49.745090         0.427703
BFGS:    4 16:32:02      -49.758357         0.205768
BFGS:    5 16:32:02      -49.760288         0.046413
BFGS:    6 16:32:02      -49.760423         0.002790
BFGS:    7 16:32:02      -49.760426         0.000283
BFGS:    8 16:32:02      -49.760426         0.000023
BFGS:    9 16:32:02      -49.760426         0.000000
BFGS:   10 16:32:02      -49.760426         0.000000
Minimization converged after 10 steps.
Maximum force component: 9.019241323122523e-10 eV/Angstrom
Maximum stress component: 2.9031450631050717e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['B', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[1.20756881e-38 0.00000000e+00 0.00000000e+00]
 [3.45746844e-36 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 6.28910774e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [2.56028617e-01 2.56028617e-01 2.56028617e-01]
 [7.43971383e-01 7.43971383e-01 2.56028617e-01]
 [7.43971383e-01 2.56028617e-01 7.43971383e-01]
 [2.56028617e-01 7.43971383e-01 7.43971383e-01]]
cellpar =  Cell([[3.6747914481038904, -1.967796056523988e-32, -4.005453131637609e-33], [1.0157979298586463e-32, 3.6747914481038904, 1.1359388985816998e-17], [-8.429660662817849e-34, 1.1359388985816996e-17, 3.6747914481038904]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 2.77076239e-65 -3.73374078e-49 -1.20787471e-31]
 [-1.20787471e-31  1.86687039e-49  6.03937356e-32]
 [-3.33884698e-64 -1.20787471e-31 -3.73374078e-49]
 [ 9.01924132e-10  9.01924132e-10  9.01924132e-10]
 [-9.01924132e-10 -9.01924132e-10  9.01924132e-10]
 [-9.01924132e-10  9.01924132e-10 -9.01924132e-10]
 [ 9.01924132e-10 -9.01924132e-10 -9.01924132e-10]]
stress =  [-2.90314506e-10 -2.90314506e-10 -2.90314506e-10 -5.14641894e-27
 -5.97179134e-59 -4.99017900e-60]
energy per atom =  -6.220053203684766
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0