element(s):
['C']
AFLOW prototype label:
A_tI8_139_h
Parameter names:
['a', 'c/a', 'x1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.3798', '0.57333668', '0.81976373']
model name:
Tersoff_LAMMPS_KinaciHaskinsSevik_2012_BNC__MO_105008013807_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.81976373 0.81976373 0.        ]]
spacegroup =  139
cell =  [[4.3798, 0, 0], [0, 4.3798, 0], [0, 0, 2.5111]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 17:28:59      -50.740859         1.161892
BFGS:    1 17:28:59      -50.825130         1.286942
BFGS:    2 17:28:59      -50.871893         1.102660
BFGS:    3 17:28:59      -50.959524         0.754742
BFGS:    4 17:28:59      -51.018019         0.455784
BFGS:    5 17:28:59      -51.050125         0.182165
BFGS:    6 17:28:59      -51.057500         0.015040
BFGS:    7 17:28:59      -51.057519         0.012253
BFGS:    8 17:28:59      -51.057525         0.011975
BFGS:    9 17:28:59      -51.057538         0.008900
BFGS:   10 17:28:59      -51.057551         0.010707
BFGS:   11 17:28:59      -51.057562         0.007351
BFGS:   12 17:28:59      -51.057565         0.002208
BFGS:   13 17:28:59      -51.057565         0.000192
BFGS:   14 17:28:59      -51.057565         0.000018
BFGS:   15 17:28:59      -51.057565         0.000001
BFGS:   16 17:28:59      -51.057565         0.000000
BFGS:   17 17:28:59      -51.057565         0.000000
BFGS:   18 17:28:59      -51.057565         0.000000
Minimization converged after 18 steps.
Maximum force component: 2.0121561982040063e-09 eV/Angstrom
Maximum stress component: 1.39722435476052e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[8.17580257e-01 8.17580257e-01 0.00000000e+00]
 [1.82419743e-01 1.82419743e-01 0.00000000e+00]
 [1.82419743e-01 8.17580257e-01 9.33398884e-36]
 [8.17580257e-01 1.82419743e-01 1.16674860e-35]
 [3.17580257e-01 3.17580257e-01 5.00000000e-01]
 [6.82419743e-01 6.82419743e-01 5.00000000e-01]
 [6.82419743e-01 3.17580257e-01 5.00000000e-01]
 [3.17580257e-01 6.82419743e-01 5.00000000e-01]]
cellpar =  Cell([[4.467222761086805, 6.631107653804805e-36, -1.3122853060300104e-32], [8.458030027021704e-37, 4.467222761086805, -2.0291643998309371e-19], [5.5184662194403334e-33, -1.1604929590423617e-19, 2.5791893185427424]])
forces =  [[ 2.01215620e-09  2.01215620e-09 -9.11446453e-29]
 [-2.01215620e-09 -2.01215620e-09  9.12002795e-29]
 [-2.01215620e-09  2.01215620e-09 -9.14625549e-29]
 [ 2.01215620e-09 -2.01215620e-09  9.12241227e-29]
 [ 2.01215620e-09  2.01215620e-09 -9.13353911e-29]
 [-2.01215620e-09 -2.01215620e-09  9.14625549e-29]
 [-2.01215620e-09  2.01215620e-09 -9.14943459e-29]
 [ 2.01215620e-09 -2.01215620e-09  9.13353911e-29]]
stress =  [-1.39722435e-10 -1.39722435e-10 -8.40324443e-11 -5.19233710e-26
 -1.60468904e-33 -1.02860050e-49]
energy per atom =  -6.382195615752961
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0