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 15:05:23      -67.367546         3.726229
BFGS:    1 15:05:23      -67.934280         3.819431
BFGS:    2 15:05:23      -68.510040         3.845952
BFGS:    3 15:05:23      -69.084562         3.802431
BFGS:    4 15:05:23      -69.647136         3.686277
BFGS:    5 15:05:23      -70.186722         3.495679
BFGS:    6 15:05:23      -70.692065         3.229607
BFGS:    7 15:05:23      -71.151816         2.887802
BFGS:    8 15:05:23      -71.554644         2.470777
BFGS:    9 15:05:23      -71.889350         1.979801
BFGS:   10 15:05:23      -72.144986         1.416889
BFGS:   11 15:05:23      -72.310956         0.784777
BFGS:   12 15:05:23      -72.377130         0.086909
BFGS:   13 15:05:23      -72.377902         0.004407
BFGS:   14 15:05:23      -72.377904         0.000022
BFGS:   15 15:05:23      -72.377904         0.000000
Minimization converged after 15 steps.
Maximum force component: 3.455309204972912e-30 eV/Angstrom
Maximum stress component: 7.174822500203253e-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, -1.0746117753076145e-33, 1.781336554549221e-33], [1.841110704226889e-34, 5.005856900180615, -1.1298037609185109e-17], [-1.8429784281574226e-33, -1.129803760918511e-17, 5.005856900180615]])
forces =  [[ 3.54386031e-64 -2.46807800e-31 -9.87231201e-31]
 [-3.45530920e-30 -4.11346334e-31 -8.22692668e-32]
 [ 1.23403900e-31 -3.00282824e-30 -2.05673167e-31]
 [ 4.93615601e-31  8.22692668e-32 -8.22692668e-32]
 [-1.39857754e-30 -1.50141412e-30 -1.23403900e-31]
 [ 2.38580874e-30  8.22692668e-31 -1.64538534e-30]
 [-4.93615601e-31  3.29077067e-31 -4.11346334e-31]
 [ 7.40423401e-31 -3.70211701e-31 -1.31630827e-30]
 [-1.31630827e-30 -1.48084680e-30 -2.46807800e-31]
 [-1.97446240e-30  8.22692668e-31  9.87231201e-31]
 [-3.29077067e-30 -9.87231201e-31  2.22814504e-48]
 [ 9.87231201e-31 -1.15176973e-30  1.39857754e-30]
 [ 1.64538534e-31 -9.87231201e-31 -1.23403900e-30]
 [-6.17019501e-31  7.71274376e-31 -6.17019501e-31]
 [-1.56311607e-30 -1.64538534e-31  1.06950047e-30]
 [ 2.46807800e-31 -1.64538534e-31 -1.15176973e-30]]
stress =  [-7.17482250e-10 -7.17482250e-10 -7.17482250e-10 -9.46557290e-27
  1.63961674e-34  9.31460320e-52]
energy per atom =  -4.523619005149877
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0