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 09:29:38      -49.643864        0.6309
BFGS:    1 09:29:38      -49.663857        0.5827
BFGS:    2 09:29:38      -49.723435        0.4175
BFGS:    3 09:29:38      -49.745090        0.4277
BFGS:    4 09:29:38      -49.758357        0.2058
BFGS:    5 09:29:38      -49.760288        0.0464
BFGS:    6 09:29:38      -49.760423        0.0028
BFGS:    7 09:29:38      -49.760426        0.0003
BFGS:    8 09:29:38      -49.760426        0.0000
BFGS:    9 09:29:38      -49.760426        0.0000
BFGS:   10 09:29:38      -49.760426        0.0000
Minimization converged after 10 steps.
Maximum force component: 9.019256796855932e-10 eV/Angstrom
Maximum stress component: 2.903142393334691e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['B', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[5.02066897e-37 2.80155087e-85 6.12839253e-86]
 [6.39672869e-37 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.04818462e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 1.04818462e-34]
 [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, -1.4125281245773094e-33, -2.9353364747092457e-34], [1.3390087202262445e-32, 3.6747914481038904, 3.3541441617773533e-18], [-1.8587321412881706e-33, 3.3541441617773525e-18, 3.6747914481038904]])
forces =  [[ 6.03937356e-32  6.03937356e-32  6.03937356e-32]
 [ 3.01968678e-32  1.20787471e-31  1.10248050e-49]
 [ 4.89353316e-65  3.01968678e-32  1.20787471e-31]
 [ 1.20787471e-31  2.75620125e-50  3.01968678e-32]
 [ 9.01925680e-10  9.01925680e-10  9.01925680e-10]
 [-9.01925680e-10 -9.01925680e-10  9.01925680e-10]
 [-9.01925680e-10  9.01925680e-10 -9.01925680e-10]
 [ 9.01925680e-10 -9.01925680e-10 -9.01925680e-10]]
stress =  [-2.90314239e-10 -2.90314239e-10 -2.90314239e-10  2.78144637e-26
  6.55110574e-59 -1.59769964e-58]
energy per atom =  -6.220053203684769
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0