element(s):
['C']
AFLOW prototype label:
A_cP20_221_gj
Parameter names:
['a', 'x1', 'y2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.215', '0.26228631', '0.15146094']
model name:
Sim_LAMMPS_TersoffZBL_HenrikssonBjorkasNordlund_2013_FeC__SM_473463498269_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C']
representative atom coordinates =  [[0.26228631 0.26228631 0.26228631]
 [0.5        0.15146094 0.15146094]]
spacegroup =  221
cell =  [[5.215, 0, 0], [0, 5.215, 0], [0, 0, 5.215]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 14:18:56     -144.309407        0.6478
BFGS:    1 14:18:56     -144.361352        0.4412
BFGS:    2 14:18:56     -144.394551        0.2026
BFGS:    3 14:18:56     -144.408076        0.0591
BFGS:    4 14:18:56     -144.408361        0.0204
BFGS:    5 14:18:56     -144.408386        0.0195
BFGS:    6 14:18:56     -144.408430        0.0171
BFGS:    7 14:18:56     -144.408507        0.0216
BFGS:    8 14:18:56     -144.408583        0.0195
BFGS:    9 14:18:56     -144.408616        0.0081
BFGS:   10 14:18:56     -144.408621        0.0012
BFGS:   11 14:18:56     -144.408621        0.0001
BFGS:   12 14:18:56     -144.408621        0.0000
BFGS:   13 14:18:56     -144.408621        0.0000
BFGS:   14 14:18:56     -144.408621        0.0000
Minimization converged after 14 steps.
Maximum force component: 2.4385624746344402e-09 eV/Angstrom
Maximum stress component: 1.3377271152023807e-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', 'C', 'C', 'C', 'C']
basis =  [[0.26614513 0.26614513 0.26614513]
 [0.73385487 0.73385487 0.26614513]
 [0.73385487 0.26614513 0.73385487]
 [0.26614513 0.73385487 0.73385487]
 [0.26614513 0.26614513 0.73385487]
 [0.73385487 0.73385487 0.73385487]
 [0.26614513 0.73385487 0.26614513]
 [0.73385487 0.26614513 0.26614513]
 [0.5        0.15099526 0.15099526]
 [0.5        0.84900474 0.15099526]
 [0.5        0.15099526 0.84900474]
 [0.5        0.84900474 0.84900474]
 [0.15099526 0.5        0.15099526]
 [0.15099526 0.5        0.84900474]
 [0.84900474 0.5        0.15099526]
 [0.84900474 0.5        0.84900474]
 [0.15099526 0.15099526 0.5       ]
 [0.84900474 0.15099526 0.5       ]
 [0.15099526 0.84900474 0.5       ]
 [0.84900474 0.84900474 0.5       ]]
cellpar =  Cell([[5.217663802006327, -6.30122046981059e-33, -1.3775523071940074e-32], [-8.391543793324001e-33, 5.217663802006327, 2.5243230928165654e-19], [-4.7735665650338006e-32, 2.5243230928164845e-19, 5.217663802006327]])
forces =  [[-4.28367820e-10 -4.28367820e-10 -4.28367820e-10]
 [ 4.28367820e-10  4.28367820e-10 -4.28367820e-10]
 [ 4.28367820e-10 -4.28367820e-10  4.28367820e-10]
 [-4.28367820e-10  4.28367820e-10  4.28367820e-10]
 [-4.28367820e-10 -4.28367820e-10  4.28367820e-10]
 [ 4.28367820e-10  4.28367820e-10  4.28367820e-10]
 [-4.28367820e-10  4.28367820e-10 -4.28367820e-10]
 [ 4.28367820e-10 -4.28367820e-10 -4.28367820e-10]
 [ 1.02900275e-30  2.43856247e-09  2.43856247e-09]
 [-1.92938015e-31 -2.43856247e-09  2.43856247e-09]
 [ 1.83881336e-41  2.43856247e-09 -2.43856247e-09]
 [-1.71500458e-31 -2.43856247e-09 -2.43856247e-09]
 [ 2.43856247e-09  1.18707340e-28  2.43856247e-09]
 [ 2.43856247e-09 -1.17978463e-28 -2.43856247e-09]
 [-2.43856247e-09  1.18192839e-28  2.43856247e-09]
 [-2.43856247e-09 -1.17978463e-28 -2.43856247e-09]
 [ 2.43856247e-09  2.43856247e-09  1.19007466e-28]
 [-2.43856247e-09  2.43856247e-09  1.17635462e-28]
 [ 2.43856247e-09 -2.43856247e-09 -1.17463962e-28]
 [-2.43856247e-09 -2.43856247e-09 -1.17635462e-28]]
stress =  [-1.33772712e-10 -1.33772712e-10 -1.33772712e-10  1.82252363e-27
  9.65888499e-33  1.82276643e-49]
energy per atom =  -7.220431048673797
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0