element(s):
['C']
AFLOW prototype label:
A_oC8_67_m
Parameter names:
['a', 'b/a', 'c/a', 'y1', 'z1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.4679', '1.7318773', '3.3343328', '0.58332715', '0.24954517']
model name:
Sim_LAMMPS_TersoffZBL_HenrikssonBjorkasNordlund_2013_FeC__SM_473463498269_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.         0.41667285 0.24954517]]
spacegroup =  67
cell =  [[2.4679, 0, 0], [0, 4.2741, 0], [0, 0, 8.2288]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 16:46:12      -58.673145        1.4192
BFGS:    1 16:46:12      -58.726580        1.2224
BFGS:    2 16:46:12      -58.825083        0.7566
BFGS:    3 16:46:12      -58.878106        0.3124
BFGS:    4 16:46:12      -58.889472        0.0180
BFGS:    5 16:46:12      -58.889495        0.0124
BFGS:    6 16:46:12      -58.889499        0.0033
BFGS:    7 16:46:12      -58.889500        0.0008
BFGS:    8 16:46:12      -58.889500        0.0006
BFGS:    9 16:46:12      -58.889500        0.0006
BFGS:   10 16:46:12      -58.889500        0.0005
BFGS:   11 16:46:12      -58.889500        0.0002
BFGS:   12 16:46:12      -58.889500        0.0001
BFGS:   13 16:46:12      -58.889500        0.0000
BFGS:   14 16:46:12      -58.889500        0.0000
BFGS:   15 16:46:12      -58.889500        0.0000
Minimization converged after 15 steps.
Maximum force component: 6.069986735468547e-09 eV/Angstrom
Maximum stress component: 8.013538125786907e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.00000000e+00 4.16666667e-01 2.49545170e-01]
 [0.00000000e+00 8.33333334e-02 2.49545170e-01]
 [1.57720290e-38 9.16666667e-01 7.50454830e-01]
 [8.55212677e-38 5.83333333e-01 7.50454830e-01]
 [5.00000000e-01 9.16666667e-01 2.49545170e-01]
 [5.00000000e-01 5.83333333e-01 2.49545170e-01]
 [5.00000000e-01 4.16666667e-01 7.50454830e-01]
 [5.00000000e-01 8.33333334e-02 7.50454830e-01]]
cellpar =  Cell([[2.516185107261957, 1.2453971387907304e-37, 0.0], [1.255259473879342e-36, 4.358160447768563, 0.0], [0.0, 0.0, 8.228799999999998]])
forces =  [[ 1.74830836e-45  6.06998674e-09  0.00000000e+00]
 [-1.74830836e-45 -6.06998674e-09  0.00000000e+00]
 [-2.48115008e-31  6.06998674e-09  0.00000000e+00]
 [ 2.48115008e-31 -6.06998674e-09  0.00000000e+00]
 [-3.72172512e-31  6.06998674e-09  0.00000000e+00]
 [ 4.96230015e-31 -6.06998674e-09  0.00000000e+00]
 [ 2.48115008e-31  6.06998674e-09  0.00000000e+00]
 [-3.41158136e-31 -6.06998674e-09  0.00000000e+00]]
stress =  [-8.01353813e-10 -6.85733288e-10  0.00000000e+00  0.00000000e+00
  0.00000000e+00  1.12402160e-33]
energy per atom =  -7.361187457114771
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0