element(s):
['C']
AFLOW prototype label:
A_hR2_166_c
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:
['2.4675532', '5.0459694', '0.83331463']
model name:
Tersoff_LAMMPS_KinaciHaskinsSevik_2012_BNC__MO_105008013807_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.         0.         0.33331463]]
spacegroup =  166
cell =  [[2.4676, 0, 0], [-1.2338, 2.1370042863785, 0], [0, 0, 12.4512]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:47:52      -47.828407         0.644271
BFGS:    1 16:47:52      -47.839328         0.541139
BFGS:    2 16:47:52      -47.866171         0.019741
BFGS:    3 16:47:52      -47.866211         0.000655
BFGS:    4 16:47:52      -47.866211         0.000033
BFGS:    5 16:47:52      -47.866211         0.000001
BFGS:    6 16:47:52      -47.866211         0.000000
Minimization converged after 6 steps.
Maximum force component: 1.01007092331146e-09 eV/Angstrom
Maximum stress component: 2.688041082769501e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.00000000e+00 0.00000000e+00 3.33333333e-01]
 [0.00000000e+00 1.00000000e+00 6.66666667e-01]
 [6.66666667e-01 3.33333333e-01 6.66666667e-01]
 [6.66666667e-01 3.33333333e-01 1.08217796e-12]
 [3.33333333e-01 6.66666667e-01 1.00000000e+00]
 [3.33333333e-01 6.66666667e-01 3.33333333e-01]]
cellpar =  Cell([[2.4920489396800507, -1.6013056779019354e-17, -1.664170949943662e-23], [-1.2460244698400254, 2.158177689236999, -7.552118866049671e-19], [-8.43856499187346e-23, 4.4408896624082927e-16, 12.451199838310385]])
forces =  [[-6.14533418e-32  3.60256470e-26  1.01007092e-09]
 [-4.30016654e-31 -3.60255524e-26 -1.01007092e-09]
 [-6.84556448e-33  3.60255524e-26  1.01007092e-09]
 [-4.02712765e-31 -3.60255051e-26 -1.01007092e-09]
 [ 1.84281656e-31  3.60255051e-26  1.01007092e-09]
 [-1.56977767e-31 -3.60256470e-26 -1.01007092e-09]]
stress =  [-2.68804108e-10 -2.68804108e-10  1.21958510e-21  9.58726063e-27
 -1.02955960e-32 -8.97503535e-26]
energy per atom =  -7.977701861339544
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0