element(s):
['C']
AFLOW prototype label:
A_oC8_65_gh
Parameter names:
['a', 'b/a', 'c/a', 'x1', 'x2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['7.8193', '0.34531224', '0.32109012', '0.5860263', '0.68934767']
model name:
Sim_LAMMPS_TersoffZBL_HenrikssonBjorkasNordlund_2013_FeC__SM_473463498269_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C']
representative atom coordinates =  [[0.5860263  0.         0.        ]
 [0.68934767 0.         0.5       ]]
spacegroup =  65
cell =  [[7.8193, 0, 0], [0, 2.7001, 0], [0, 0, 2.5107]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:54:33      -57.255829         5.889818
BFGS:    1 16:54:33      -57.921875         2.230793
BFGS:    2 16:54:34      -58.120828         0.901016
BFGS:    3 16:54:34      -58.135071         0.847131
BFGS:    4 16:54:34      -58.178967         0.708148
BFGS:    5 16:54:34      -58.217286         0.586657
BFGS:    6 16:54:34      -58.250344         0.475898
BFGS:    7 16:54:34      -58.277637         0.372716
BFGS:    8 16:54:34      -58.298732         0.290777
BFGS:    9 16:54:34      -58.313475         0.210599
BFGS:   10 16:54:34      -58.322123         0.271665
BFGS:   11 16:54:34      -58.325651         0.303133
BFGS:   12 16:54:34      -58.327762         0.295033
BFGS:   13 16:54:34      -58.334845         0.213857
BFGS:   14 16:54:34      -58.340714         0.170823
BFGS:   15 16:54:34      -58.344763         0.219413
BFGS:   16 16:54:34      -58.346525         0.220473
BFGS:   17 16:54:34      -58.348038         0.194157
BFGS:   18 16:54:34      -58.350066         0.132111
BFGS:   19 16:54:34      -58.351925         0.098903
BFGS:   20 16:54:34      -58.352661         0.041637
BFGS:   21 16:54:34      -58.352764         0.006842
BFGS:   22 16:54:34      -58.352769         0.000501
BFGS:   23 16:54:34      -58.352769         0.000131
BFGS:   24 16:54:34      -58.352769         0.000043
BFGS:   25 16:54:35      -58.352769         0.000006
BFGS:   26 16:54:35      -58.352769         0.000000
BFGS:   27 16:54:35      -58.352769         0.000000
BFGS:   28 16:54:35      -58.352769         0.000000
Minimization converged after 28 steps.
Maximum force component: 6.590201273581897e-09 eV/Angstrom
Maximum stress component: 7.580506832096163e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[5.91407866e-01 1.80476495e-35 0.00000000e+00]
 [4.08592134e-01 0.00000000e+00 0.00000000e+00]
 [9.14078664e-02 5.00000000e-01 0.00000000e+00]
 [9.08592134e-01 5.00000000e-01 0.00000000e+00]
 [6.92635076e-01 0.00000000e+00 5.00000000e-01]
 [3.07364924e-01 5.64238544e-37 5.00000000e-01]
 [1.92635076e-01 5.00000000e-01 5.00000000e-01]
 [8.07364924e-01 5.00000000e-01 5.00000000e-01]]
cellpar =  Cell([[7.904684670229547, 2.5812739469666384e-36, 0.0], [2.8993815515264714e-37, 2.512517203794744, 0.0], [0.0, 0.0, 2.52782503256522]])
forces =  [[-6.59020127e-09 -2.15202953e-45  0.00000000e+00]
 [ 6.59020127e-09  2.15202953e-45  0.00000000e+00]
 [-6.59020127e-09 -2.15202953e-45  0.00000000e+00]
 [ 6.59020127e-09  2.15202953e-45  0.00000000e+00]
 [-2.32677300e-09 -7.58112042e-46  0.00000000e+00]
 [ 2.32677300e-09  7.59807477e-46  0.00000000e+00]
 [-2.32677300e-09 -7.59807477e-46  0.00000000e+00]
 [ 2.32677300e-09  7.58111993e-46  0.00000000e+00]]
stress =  [ 7.58050683e-10 -1.53664035e-10 -4.34386352e-11  0.00000000e+00
  0.00000000e+00 -8.92686420e-47]
energy per atom =  -7.294096103160502
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0