element(s):
['C']
AFLOW prototype label:
A_cF8_227_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.5727']
model name:
Tersoff_LAMMPS_KinaciHaskinsSevik_2012_BNC__MO_105008013807_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0 0 0]]
spacegroup =  227
cell =  [[3.5727, 0, 0], [0, 3.5727, 0], [0, 0, 3.5727]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:26:46      -52.081884         0.891918
BFGS:    1 16:26:46      -52.114525         0.816088
BFGS:    2 16:26:47      -52.215160         0.528272
BFGS:    3 16:26:47      -52.273760         0.255518
BFGS:    4 16:26:47      -52.292489         0.013117
BFGS:    5 16:26:47      -52.292540         0.000352
BFGS:    6 16:26:47      -52.292540         0.000001
BFGS:    7 16:26:47      -52.292540         0.000000
Minimization converged after 7 steps.
Maximum force component: 1.2580316824563438e-30 eV/Angstrom
Maximum stress component: 3.2787868455656526e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[4.51370191e-34 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 1.05671384e-34]
 [5.00000000e-01 1.58507075e-33 5.00000000e-01]
 [7.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 2.50000000e-01 2.50000000e-01]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]]
cellpar =  Cell([[3.6451305539929453, -2.1513736190063756e-33, 2.209486572329125e-34], [-4.238693170072127e-33, 3.6451305539929453, 5.596744804084781e-18], [-2.68693423971003e-34, 5.596744804084781e-18, 3.6451305539929453]])
forces =  [[-2.79406590e-31 -3.21528187e-31 -6.59905012e-32]
 [ 4.04367327e-31  7.07642821e-31  2.99531353e-32]
 [-1.79718812e-31  2.99531353e-31  8.98594059e-32]
 [ 1.12324257e-32 -4.49297029e-32  1.94695379e-31]
 [ 5.69109571e-31 -4.49297029e-31 -5.99062706e-32]
 [ 2.54601650e-31 -2.69578218e-31 -8.98594059e-32]
 [-2.47113366e-31  7.15131105e-31  7.48828382e-33]
 [-4.49297029e-31 -1.25803168e-30 -5.69109571e-31]]
stress =  [-3.27878685e-12 -3.27878685e-12 -3.27878685e-12 -1.66730456e-30
  6.18447766e-34  1.52969198e-51]
energy per atom =  -6.53656752794158
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0