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:
Sim_LAMMPS_TersoffZBL_HenrikssonBjorkasNordlund_2013_FeC__SM_473463498269_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 17:17:38      -57.380139        0.1707
BFGS:    1 17:17:38      -57.381295        0.2186
BFGS:    2 17:17:38      -57.382077        0.1982
BFGS:    3 17:17:38      -57.386132        0.0610
BFGS:    4 17:17:38      -57.386259        0.0618
BFGS:    5 17:17:38      -57.387119        0.0451
BFGS:    6 17:17:38      -57.387413        0.0361
BFGS:    7 17:17:38      -57.387509        0.0091
BFGS:    8 17:17:38      -57.387513        0.0010
BFGS:    9 17:17:38      -57.387513        0.0000
BFGS:   10 17:17:38      -57.387513        0.0000
BFGS:   11 17:17:38      -57.387513        0.0000
BFGS:   12 17:17:38      -57.387513        0.0000
Minimization converged after 12 steps.
Maximum force component: 2.919273676960099e-10 eV/Angstrom
Maximum stress component: 4.464745375549555e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[8.20542089e-01 8.20542089e-01 1.15990849e-34]
 [1.79457911e-01 1.79457911e-01 0.00000000e+00]
 [1.79457911e-01 8.20542089e-01 1.54654466e-34]
 [8.20542089e-01 1.79457911e-01 0.00000000e+00]
 [3.20542089e-01 3.20542089e-01 5.00000000e-01]
 [6.79457911e-01 6.79457911e-01 5.00000000e-01]
 [6.79457911e-01 3.20542089e-01 5.00000000e-01]
 [3.20542089e-01 6.79457911e-01 5.00000000e-01]]
cellpar =  Cell([[4.388445922996729, -6.239760162317432e-37, -2.4821354866796855e-33], [-8.963677313470885e-37, 4.388445922996728, -9.654117168859664e-19], [-7.0179531239278e-33, -5.493616677292763e-19, 2.4906231245120987]])
forces =  [[ 2.91927368e-10  2.91927368e-10 -6.42209352e-29]
 [-2.91927368e-10 -2.91927368e-10  6.42209352e-29]
 [-2.91927368e-10  2.91927368e-10 -6.42209352e-29]
 [ 2.91927368e-10 -2.91927368e-10  6.42516345e-29]
 [ 2.91927368e-10  2.91927368e-10 -6.42209352e-29]
 [-2.91927368e-10 -2.91927368e-10  6.42209352e-29]
 [-2.91927368e-10  2.91927368e-10 -6.40981380e-29]
 [ 2.91927368e-10 -2.91927368e-10  6.40981380e-29]]
stress =  [-4.46474538e-12 -4.46474538e-12  3.07137803e-12 -7.99945721e-28
 -1.53681346e-44  3.41233898e-60]
energy per atom =  -7.1734391648734475
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0