element(s):
['C']
AFLOW prototype label:
A_cI16_206_c
Parameter names:
['a', 'x1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.4773', '0.15607601']
model name:
Sim_LAMMPS_TersoffZBL_HenrikssonBjorkasNordlund_2013_FeC__SM_473463498269_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.15607601 0.15607601 0.15607601]]
spacegroup =  206
cell =  [[4.4773, 0, 0], [0, 4.4773, 0], [0, 0, 4.4773]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:36:21     -108.217655        4.5596
BFGS:    1 17:36:21     -109.968096        1.1589
BFGS:    2 17:36:21     -110.029255        1.1336
BFGS:    3 17:36:21     -110.187614        1.0331
BFGS:    4 17:36:21     -110.327140        0.9181
BFGS:    5 17:36:21     -110.449668        0.7931
BFGS:    6 17:36:21     -110.554480        0.6602
BFGS:    7 17:36:21     -110.640320        0.5205
BFGS:    8 17:36:21     -110.705890        0.3745
BFGS:    9 17:36:21     -110.749955        0.2224
BFGS:   10 17:36:21     -110.771311        0.0640
BFGS:   11 17:36:21     -110.773220        0.0095
BFGS:   12 17:36:21     -110.773230        0.0050
BFGS:   13 17:36:21     -110.773233        0.0001
BFGS:   14 17:36:21     -110.773233        0.0000
BFGS:   15 17:36:21     -110.773233        0.0000
Minimization converged after 15 steps.
Maximum force component: 3.628810262551232e-09 eV/Angstrom
Maximum stress component: 2.7402628540592346e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.14809537 0.14809537 0.14809537]
 [0.35190463 0.85190463 0.64809537]
 [0.85190463 0.64809537 0.35190463]
 [0.64809537 0.35190463 0.85190463]
 [0.64809537 0.64809537 0.64809537]
 [0.85190463 0.35190463 0.14809537]
 [0.35190463 0.14809537 0.85190463]
 [0.14809537 0.85190463 0.35190463]
 [0.85190463 0.85190463 0.85190463]
 [0.64809537 0.14809537 0.35190463]
 [0.14809537 0.35190463 0.64809537]
 [0.35190463 0.64809537 0.14809537]
 [0.35190463 0.35190463 0.35190463]
 [0.14809537 0.64809537 0.85190463]
 [0.64809537 0.85190463 0.14809537]
 [0.85190463 0.14809537 0.64809537]]
cellpar =  Cell([[4.353568471141538, -5.01427504716795e-37, 0.0], [7.175366758591198e-37, 4.353568471141538, 0.0], [0.0, 0.0, 4.353568471141538]])
forces =  [[-3.62881026e-09 -3.62881026e-09 -3.62881026e-09]
 [ 3.62881026e-09  3.62881026e-09 -3.62881026e-09]
 [ 3.62881026e-09 -3.62881026e-09  3.62881026e-09]
 [-3.62881026e-09  3.62881026e-09  3.62881026e-09]
 [-3.62881026e-09 -3.62881026e-09 -3.62881026e-09]
 [ 3.62881026e-09  3.62881026e-09 -3.62881026e-09]
 [ 3.62881026e-09 -3.62881026e-09  3.62881026e-09]
 [-3.62881026e-09  3.62881026e-09  3.62881026e-09]
 [ 3.62881026e-09  3.62881026e-09  3.62881026e-09]
 [-3.62881026e-09 -3.62881026e-09  3.62881026e-09]
 [-3.62881026e-09  3.62881026e-09 -3.62881026e-09]
 [ 3.62881026e-09 -3.62881026e-09 -3.62881026e-09]
 [ 3.62881026e-09  3.62881026e-09  3.62881026e-09]
 [-3.62881026e-09 -3.62881026e-09  3.62881026e-09]
 [-3.62881026e-09  3.62881026e-09 -3.62881026e-09]
 [ 3.62881026e-09 -3.62881026e-09 -3.62881026e-09]]
stress =  [ 2.74026285e-10  2.74026285e-10  2.74026285e-10  0.00000000e+00
  0.00000000e+00 -6.93678804e-33]
energy per atom =  -6.923327079142211
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0