element(s):
['C']
AFLOW prototype label:
A_cI16_229_f
Parameter names:
['a', 'x1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.8764', '0.16261302']
model name:
Sim_LAMMPS_TersoffZBL_HenrikssonBjorkasNordlund_2013_FeC__SM_473463498269_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.16261302 0.16261302 0.16261302]]
spacegroup =  229
cell =  [[4.8764, 0, 0], [0, 4.8764, 0], [0, 0, 4.8764]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:56:12     -106.880468         2.232733
BFGS:    1 15:56:12     -106.857463         2.474954
BFGS:    2 15:56:12     -107.175682         0.368836
BFGS:    3 15:56:12     -107.181670         0.350825
BFGS:    4 15:56:12     -107.220300         0.200630
BFGS:    5 15:56:12     -107.238503         0.182541
BFGS:    6 15:56:12     -107.241076         0.071928
BFGS:    7 15:56:12     -107.241363         0.010993
BFGS:    8 15:56:12     -107.241374         0.000495
BFGS:    9 15:56:12     -107.241374         0.000050
BFGS:   10 15:56:12     -107.241374         0.000003
BFGS:   11 15:56:12     -107.241374         0.000000
BFGS:   12 15:56:12     -107.241374         0.000000
Minimization converged after 12 steps.
Maximum force component: 4.1886258418947976e-10 eV/Angstrom
Maximum stress component: 2.3428545604534582e-11 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 =  [[0.16442111 0.16442111 0.16442111]
 [0.83557889 0.83557889 0.16442111]
 [0.83557889 0.16442111 0.83557889]
 [0.16442111 0.83557889 0.83557889]
 [0.16442111 0.16442111 0.83557889]
 [0.83557889 0.83557889 0.83557889]
 [0.16442111 0.83557889 0.16442111]
 [0.83557889 0.16442111 0.16442111]
 [0.66442111 0.66442111 0.66442111]
 [0.33557889 0.33557889 0.66442111]
 [0.33557889 0.66442111 0.33557889]
 [0.66442111 0.33557889 0.33557889]
 [0.66442111 0.66442111 0.33557889]
 [0.33557889 0.33557889 0.33557889]
 [0.66442111 0.33557889 0.66442111]
 [0.33557889 0.66442111 0.66442111]]
cellpar =  Cell([[4.915896905997212, 1.817297375881543e-32, 7.518943435047493e-33], [-4.72539944292899e-33, 4.915896905997212, -3.6281847690993215e-18], [1.0721100123729887e-32, -3.628184769099316e-18, 4.915896905997212]])
forces =  [[ 4.18862584e-10  4.18862584e-10  4.18862584e-10]
 [-4.18862584e-10 -4.18862584e-10  4.18862584e-10]
 [-4.18862584e-10  4.18862584e-10 -4.18862584e-10]
 [ 4.18862584e-10 -4.18862584e-10 -4.18862584e-10]
 [ 4.18862584e-10  4.18862584e-10 -4.18862584e-10]
 [-4.18862584e-10 -4.18862584e-10 -4.18862584e-10]
 [ 4.18862584e-10 -4.18862584e-10  4.18862584e-10]
 [-4.18862584e-10  4.18862584e-10  4.18862584e-10]
 [ 4.18862584e-10  4.18862584e-10  4.18862584e-10]
 [-4.18862584e-10 -4.18862584e-10  4.18862584e-10]
 [-4.18862584e-10  4.18862584e-10 -4.18862584e-10]
 [ 4.18862584e-10 -4.18862584e-10 -4.18862584e-10]
 [ 4.18862584e-10  4.18862584e-10 -4.18862584e-10]
 [-4.18862584e-10 -4.18862584e-10 -4.18862584e-10]
 [ 4.18862584e-10 -4.18862584e-10  4.18862584e-10]
 [-4.18862584e-10  4.18862584e-10  4.18862584e-10]]
stress =  [-2.34285456e-11 -2.34285456e-11 -2.34285456e-11  2.54523017e-28
 -1.36014014e-33  8.95286418e-51]
energy per atom =  -6.702585901300723
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0