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:
Sim_LAMMPS_TersoffZBL_HenrikssonBjorkasNordlund_2013_FeC__SM_473463498269_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 15:55:27      -44.003636        1.4232
BFGS:    1 15:55:27      -44.056160        1.1612
BFGS:    2 15:55:27      -44.141244        0.5476
BFGS:    3 15:55:27      -44.167011        0.0354
BFGS:    4 15:55:27      -44.167124        0.0020
BFGS:    5 15:55:27      -44.167125        0.0011
BFGS:    6 15:55:27      -44.167125        0.0003
BFGS:    7 15:55:27      -44.167125        0.0001
BFGS:    8 15:55:27      -44.167125        0.0000
BFGS:    9 15:55:27      -44.167125        0.0000
BFGS:   10 15:55:27      -44.167125        0.0000
Minimization converged after 10 steps.
Maximum force component: 3.556638392827497e-09 eV/Angstrom
Maximum stress component: 1.820650940214935e-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 9.15722387e-12]
 [3.33333333e-01 6.66666667e-01 1.00000000e+00]
 [3.33333333e-01 6.66666667e-01 3.33333333e-01]]
cellpar =  Cell([[2.5161851077064648, 7.935184578635522e-18, -1.504098907491409e-23], [-1.2580925538532324, 2.1790802238978833, -1.5007263952644248e-18], [-7.603892972043376e-23, 4.440889903118332e-16, 12.451199852250003]])
forces =  [[ 5.15862283e-31  1.26853018e-25  3.55663839e-09]
 [ 1.34500028e-30 -1.26853113e-25 -3.55663839e-09]
 [ 4.19373113e-31  1.26853113e-25  3.55663839e-09]
 [ 1.23472694e-30 -1.26852731e-25 -3.55663839e-09]
 [-6.83360255e-31  1.26853113e-25  3.55663839e-09]
 [ 1.09688527e-30 -1.26852827e-25 -3.55663839e-09]]
stress =  [-1.82065094e-10 -1.82065094e-10  3.56404450e-20  6.49359944e-27
 -1.09423910e-33 -3.58714469e-26]
energy per atom =  -7.361187457114753
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0