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 16:36:04     -108.217655         4.559556
BFGS:    1 16:36:04     -109.968096         1.158936
BFGS:    2 16:36:05     -110.029255         1.133570
BFGS:    3 16:36:05     -110.187614         1.033091
BFGS:    4 16:36:05     -110.327140         0.918060
BFGS:    5 16:36:05     -110.449668         0.793082
BFGS:    6 16:36:05     -110.554480         0.660211
BFGS:    7 16:36:05     -110.640320         0.520502
BFGS:    8 16:36:05     -110.705890         0.374490
BFGS:    9 16:36:05     -110.749955         0.222380
BFGS:   10 16:36:05     -110.771311         0.064024
BFGS:   11 16:36:05     -110.773220         0.009536
BFGS:   12 16:36:05     -110.773230         0.005035
BFGS:   13 16:36:05     -110.773233         0.000058
BFGS:   14 16:36:05     -110.773233         0.000002
BFGS:   15 16:36:05     -110.773233         0.000000
Minimization converged after 15 steps.
Maximum force component: 3.6288277829692188e-09 eV/Angstrom
Maximum stress component: 2.740307389120391e-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([[4.35356847114154, 1.0470995298817166e-37, 0.0], [-5.024709986520475e-37, 4.35356847114154, 0.0], [0.0, 0.0, 4.35356847114154]])
forces =  [[-3.62882778e-09 -3.62882778e-09 -3.62882778e-09]
 [ 3.62882778e-09  3.62882778e-09 -3.62882778e-09]
 [ 3.62882778e-09 -3.62882778e-09  3.62882778e-09]
 [-3.62882778e-09  3.62882778e-09  3.62882778e-09]
 [-3.62882778e-09 -3.62882778e-09 -3.62882778e-09]
 [ 3.62882778e-09  3.62882778e-09 -3.62882778e-09]
 [ 3.62882778e-09 -3.62882778e-09  3.62882778e-09]
 [-3.62882778e-09  3.62882778e-09  3.62882778e-09]
 [ 3.62882778e-09  3.62882778e-09  3.62882778e-09]
 [-3.62882778e-09 -3.62882778e-09  3.62882778e-09]
 [-3.62882778e-09  3.62882778e-09 -3.62882778e-09]
 [ 3.62882778e-09 -3.62882778e-09 -3.62882778e-09]
 [ 3.62882778e-09  3.62882778e-09  3.62882778e-09]
 [-3.62882778e-09 -3.62882778e-09  3.62882778e-09]
 [-3.62882778e-09  3.62882778e-09 -3.62882778e-09]
 [ 3.62882778e-09 -3.62882778e-09 -3.62882778e-09]]
stress =  [ 2.74030739e-10  2.74030739e-10  2.74030739e-10  0.00000000e+00
  0.00000000e+00 -1.54038657e-62]
energy per atom =  -6.923327079142216
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0