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 16:43:40      -57.255829        5.8898
BFGS:    1 16:43:40      -57.921875        2.2308
BFGS:    2 16:43:40      -58.120828        0.9010
BFGS:    3 16:43:40      -58.135071        0.8471
BFGS:    4 16:43:40      -58.178967        0.7081
BFGS:    5 16:43:40      -58.217286        0.5867
BFGS:    6 16:43:40      -58.250344        0.4759
BFGS:    7 16:43:40      -58.277637        0.3727
BFGS:    8 16:43:40      -58.298732        0.2908
BFGS:    9 16:43:40      -58.313475        0.2106
BFGS:   10 16:43:40      -58.322123        0.2717
BFGS:   11 16:43:40      -58.325651        0.3031
BFGS:   12 16:43:40      -58.327762        0.2950
BFGS:   13 16:43:40      -58.334845        0.2139
BFGS:   14 16:43:40      -58.340714        0.1708
BFGS:   15 16:43:40      -58.344763        0.2194
BFGS:   16 16:43:40      -58.346525        0.2205
BFGS:   17 16:43:40      -58.348038        0.1942
BFGS:   18 16:43:40      -58.350066        0.1321
BFGS:   19 16:43:40      -58.351925        0.0989
BFGS:   20 16:43:40      -58.352661        0.0416
BFGS:   21 16:43:40      -58.352764        0.0068
BFGS:   22 16:43:40      -58.352769        0.0005
BFGS:   23 16:43:40      -58.352769        0.0001
BFGS:   24 16:43:40      -58.352769        0.0000
BFGS:   25 16:43:40      -58.352769        0.0000
BFGS:   26 16:43:40      -58.352769        0.0000
BFGS:   27 16:43:40      -58.352769        0.0000
BFGS:   28 16:43:40      -58.352769        0.0000
Minimization converged after 28 steps.
Maximum force component: 6.590203049938737e-09 eV/Angstrom
Maximum stress component: 7.58049267906163e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[5.91407866e-01 2.65779273e-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 1.70592757e-36 5.00000000e-01]
 [1.92635076e-01 5.00000000e-01 5.00000000e-01]
 [8.07364924e-01 5.00000000e-01 5.00000000e-01]]
cellpar =  Cell([[7.904684670229557, -9.691406470033121e-37, 0.0], [-5.182438162852924e-37, 2.5125172037947396, 0.0], [0.0, 0.0, 2.5278250325652176]])
forces =  [[-6.59020305e-09  8.07980826e-46  0.00000000e+00]
 [ 6.59020305e-09 -8.07980826e-46  0.00000000e+00]
 [-6.59020305e-09  8.07980826e-46  0.00000000e+00]
 [ 6.59020305e-09 -8.07980826e-46  0.00000000e+00]
 [-2.32667396e-09 -4.95506649e-31  0.00000000e+00]
 [ 2.32667396e-09  4.95506649e-31  0.00000000e+00]
 [-2.32667396e-09 -4.95506649e-31  0.00000000e+00]
 [ 2.32667396e-09  4.95506649e-31  0.00000000e+00]]
stress =  [ 7.58049268e-10 -1.53662803e-10 -4.34437302e-11  0.00000000e+00
  0.00000000e+00 -6.20621570e-34]
energy per atom =  -7.294096103160507
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0