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 17:27:13      -52.081884        0.8919
BFGS:    1 17:27:13      -52.114525        0.8161
BFGS:    2 17:27:13      -52.215160        0.5283
BFGS:    3 17:27:13      -52.273760        0.2555
BFGS:    4 17:27:13      -52.292489        0.0131
BFGS:    5 17:27:13      -52.292540        0.0004
BFGS:    6 17:27:13      -52.292540        0.0000
BFGS:    7 17:27:13      -52.292540        0.0000
Minimization converged after 7 steps.
Maximum force component: 2.6957821766921666e-31 eV/Angstrom
Maximum stress component: 3.2775533153722132e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [1.92577321e-34 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 4.22685534e-34 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([[3.645130553992947, -2.4298397466360323e-33, 5.691703717674109e-33], [4.936770693746211e-34, 3.645130553992947, 9.440938834558689e-18], [2.278534436010311e-33, 9.44093883455869e-18, 3.645130553992947]])
forces =  [[-9.64116542e-32  2.69578218e-31  8.23711221e-32]
 [ 1.66614315e-31  2.10607983e-33  5.24179868e-32]
 [-6.55224835e-32 -1.62636164e-32  7.11386963e-32]
 [ 1.29172896e-31 -1.69422422e-31  5.24179868e-32]
 [-5.99062706e-32  1.34789109e-31 -4.86738449e-32]
 [ 4.49297029e-32 -1.79718812e-31  5.24179868e-32]
 [-1.04835974e-31 -3.74414191e-32 -9.94537695e-33]
 [-3.36972772e-32  3.74414191e-32  2.99531353e-32]]
stress =  [-3.27755332e-12 -3.27755332e-12 -3.27755332e-12 -7.08918896e-28
 -7.73059708e-35 -9.90383546e-52]
energy per atom =  -6.53656752794157
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0