element(s):
['C']
AFLOW prototype label:
A_oC16_65_pq
Parameter names:
['a', 'b/a', 'c/a', 'x1', 'y1', 'x2', 'y2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.2547', '2.0610619', '0.59089948', '0.18519352', '0.16660457', '0.18446938', '0.41082374']
model name:
Sim_LAMMPS_TersoffZBL_HenrikssonBjorkasNordlund_2013_FeC__SM_473463498269_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C']
representative atom coordinates =  [[0.18519352 0.16660457 0.        ]
 [0.18446938 0.41082374 0.5       ]]
spacegroup =  65
cell =  [[4.2547, 0, 0], [0, 8.7692, 0], [0, 0, 2.5141]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 17:41:56     -115.531432         0.890561
BFGS:    1 17:41:56     -115.602827         0.315553
BFGS:    2 17:41:56     -115.611794         0.300837
BFGS:    3 17:41:56     -115.614011         0.294425
BFGS:    4 17:41:56     -115.619892         0.252300
BFGS:    5 17:41:57     -115.627154         0.184584
BFGS:    6 17:41:57     -115.633131         0.126440
BFGS:    7 17:41:57     -115.634862         0.088987
BFGS:    8 17:41:57     -115.635198         0.086495
BFGS:    9 17:41:57     -115.635467         0.079924
BFGS:   10 17:41:57     -115.636085         0.061946
BFGS:   11 17:41:57     -115.636947         0.067357
BFGS:   12 17:41:57     -115.637677         0.046798
BFGS:   13 17:41:58     -115.637919         0.014107
BFGS:   14 17:41:58     -115.637947         0.007012
BFGS:   15 17:41:58     -115.637949         0.005679
BFGS:   16 17:41:58     -115.637950         0.004939
BFGS:   17 17:41:58     -115.637954         0.004891
BFGS:   18 17:41:58     -115.637959         0.005068
BFGS:   19 17:41:58     -115.637966         0.003611
BFGS:   20 17:41:58     -115.637970         0.001304
BFGS:   21 17:41:58     -115.637971         0.000347
BFGS:   22 17:41:58     -115.637971         0.000033
BFGS:   23 17:41:59     -115.637971         0.000002
BFGS:   24 17:41:59     -115.637971         0.000000
BFGS:   25 17:41:59     -115.637971         0.000000
Minimization converged after 25 steps.
Maximum force component: 2.6584062590151455e-09 eV/Angstrom
Maximum stress component: 3.024741324902243e-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 =  [[1.82524975e-01 1.67288318e-01 4.60646759e-37]
 [8.17475025e-01 8.32711682e-01 0.00000000e+00]
 [8.17475025e-01 1.67288318e-01 3.04425259e-35]
 [1.82524975e-01 8.32711682e-01 3.65332007e-37]
 [6.82524975e-01 6.67288318e-01 6.39232450e-38]
 [3.17475025e-01 3.32711682e-01 0.00000000e+00]
 [3.17475025e-01 6.67288318e-01 3.65587927e-35]
 [6.82524975e-01 3.32711682e-01 2.82853328e-37]
 [1.87818211e-01 4.10473936e-01 5.00000000e-01]
 [8.12181789e-01 5.89526064e-01 5.00000000e-01]
 [8.12181789e-01 4.10473936e-01 5.00000000e-01]
 [1.87818211e-01 5.89526064e-01 5.00000000e-01]
 [6.87818211e-01 9.10473936e-01 5.00000000e-01]
 [3.12181789e-01 8.95260638e-02 5.00000000e-01]
 [3.12181789e-01 9.10473936e-01 5.00000000e-01]
 [6.87818211e-01 8.95260638e-02 5.00000000e-01]]
cellpar =  Cell([[4.209065952330145, -1.5837697159759543e-37, 0.0], [-6.857141780852116e-37, 8.750019837172891, 0.0], [0.0, 0.0, 2.5185165239432163]])
forces =  [[ 1.65972502e-09 -1.16754556e-09  0.00000000e+00]
 [-1.65972502e-09  1.16754556e-09  0.00000000e+00]
 [-1.65972502e-09 -1.16754556e-09 -1.86258677e-31]
 [ 1.65972502e-09  1.16754556e-09  0.00000000e+00]
 [ 1.65972502e-09 -1.16754556e-09  0.00000000e+00]
 [-1.65972502e-09  1.16754556e-09  0.00000000e+00]
 [-1.65972502e-09 -1.16754556e-09  0.00000000e+00]
 [ 1.65972502e-09  1.16754556e-09  0.00000000e+00]
 [ 2.65840626e-09 -2.62739708e-09 -7.45034709e-31]
 [-2.65840626e-09  2.62739708e-09  1.24172452e-31]
 [-2.65840626e-09 -2.62739708e-09  0.00000000e+00]
 [ 2.65840626e-09  2.62739708e-09  2.48344903e-31]
 [ 2.65840626e-09 -2.62739708e-09 -4.96689806e-31]
 [-2.65840626e-09  2.62739708e-09  0.00000000e+00]
 [-2.65840626e-09 -2.62739708e-09  0.00000000e+00]
 [ 2.65840626e-09  2.62739708e-09  6.51905371e-31]]
stress =  [-1.60592771e-10  1.82178913e-10  3.02474132e-10  0.00000000e+00
  0.00000000e+00 -7.42842963e-47]
energy per atom =  -7.227373165242145
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0