element(s):
['C']
AFLOW prototype label:
A_cF16_227_c
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.8232']
model name:
Sim_LAMMPS_TersoffZBL_HenrikssonBjorkasNordlund_2013_FeC__SM_473463498269_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.125 0.125 0.125]]
spacegroup =  227
cell =  [[4.8232, 0, 0], [0, 4.8232, 0], [0, 0, 4.8232]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 16:42:36      -67.367546        3.7262
BFGS:    1 16:42:36      -67.934280        3.8194
BFGS:    2 16:42:36      -68.510040        3.8460
BFGS:    3 16:42:36      -69.084562        3.8024
BFGS:    4 16:42:37      -69.647136        3.6863
BFGS:    5 16:42:37      -70.186722        3.4957
BFGS:    6 16:42:37      -70.692065        3.2296
BFGS:    7 16:42:37      -71.151816        2.8878
BFGS:    8 16:42:37      -71.554644        2.4708
BFGS:    9 16:42:37      -71.889350        1.9798
BFGS:   10 16:42:37      -72.144986        1.4169
BFGS:   11 16:42:37      -72.310956        0.7848
BFGS:   12 16:42:37      -72.377130        0.0869
BFGS:   13 16:42:37      -72.377902        0.0044
BFGS:   14 16:42:37      -72.377904        0.0000
BFGS:   15 16:42:37      -72.377904        0.0000
Minimization converged after 15 steps.
Maximum force component: 6.1701950088802e-31 eV/Angstrom
Maximum stress component: 7.174844946913257e-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 =  [[0.125 0.125 0.125]
 [0.875 0.375 0.625]
 [0.375 0.625 0.875]
 [0.625 0.875 0.375]
 [0.375 0.875 0.625]
 [0.875 0.625 0.375]
 [0.625 0.375 0.875]
 [0.125 0.625 0.625]
 [0.875 0.875 0.125]
 [0.375 0.125 0.375]
 [0.375 0.375 0.125]
 [0.875 0.125 0.875]
 [0.625 0.125 0.625]
 [0.125 0.875 0.875]
 [0.125 0.375 0.375]
 [0.625 0.625 0.125]]
cellpar =  Cell([[5.005856900180615, -9.2437006506352e-34, 1.3649705586394716e-33], [1.066417403233898e-33, 5.005856900180615, -6.322870500375712e-18], [-1.807087192527503e-33, -6.3228705003757176e-18, 5.005856900180615]])
forces =  [[ 2.15956825e-31 -7.19856084e-32 -2.46807800e-31]
 [ 8.22692668e-32 -1.60039433e-31  6.42728647e-32]
 [ 8.22692668e-32  4.11346334e-31 -5.19569307e-49]
 [ 1.64538534e-31 -1.40290567e-31 -5.65601209e-32]
 [-1.95389509e-31 -1.02836583e-31 -1.23403900e-31]
 [ 7.19856084e-32  2.87942434e-31 -1.28545729e-31]
 [ 6.17019501e-31 -4.11346334e-32 -3.08509750e-31]
 [ 2.46807800e-31 -8.82247932e-32 -2.46807800e-31]
 [-2.46807800e-31 -3.34218896e-32 -1.33687559e-31]
 [ 2.87942434e-31  3.13651580e-31  3.34218896e-31]
 [ 1.25974815e-31 -1.95389509e-31  6.17019501e-32]
 [ 2.05673167e-31 -1.33687559e-31 -3.49644384e-31]
 [ 2.46807800e-31 -8.48401814e-32 -2.98226092e-31]
 [-8.22692668e-32 -2.33806188e-49  1.85105850e-31]
 [ 2.57091459e-32 -1.85105850e-31 -6.17019501e-32]
 [ 1.64538534e-31 -8.22692668e-32 -3.70211701e-31]]
stress =  [-7.17484495e-10 -7.17484495e-10 -7.17484495e-10  2.93972441e-26
 -2.37744427e-33 -8.48385434e-49]
energy per atom =  -4.523619005149883
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0