element(s):
['C']
AFLOW prototype label:
A_tI8_139_h
Parameter names:
['a', 'c/a', 'x1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.3798', '0.57333668', '0.81976373']
model name:
Sim_LAMMPS_EDIP_LucasBertolusPizzagalli_2009_SiC__SM_435704953434_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.81976373 0.81976373 0.        ]]
spacegroup =  139
cell =  [[4.3798, 0, 0], [0, 4.3798, 0], [0, 0, 2.5111]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 17:28:57      -56.448330         1.156750
BFGS:    1 17:28:57      -56.464474         1.145700
BFGS:    2 17:28:57      -56.496340         1.006069
BFGS:    3 17:28:57      -56.541837         0.729812
BFGS:    4 17:28:57      -56.571816         0.473269
BFGS:    5 17:28:57      -56.589375         0.232741
BFGS:    6 17:28:57      -56.595665         0.137850
BFGS:    7 17:28:57      -56.596430         0.138259
BFGS:    8 17:28:57      -56.598852         0.109382
BFGS:    9 17:28:57      -56.600167         0.107703
BFGS:   10 17:28:57      -56.600902         0.057418
BFGS:   11 17:28:58      -56.601010         0.013661
BFGS:   12 17:28:58      -56.601017         0.000716
BFGS:   13 17:28:58      -56.601017         0.000053
BFGS:   14 17:28:58      -56.601017         0.000008
BFGS:   15 17:28:58      -56.601017         0.000001
BFGS:   16 17:28:58      -56.601017         0.000000
BFGS:   17 17:28:58      -56.601017         0.000000
Minimization converged after 17 steps.
Maximum force component: 2.263707847473956e-09 eV/Angstrom
Maximum stress component: 2.8474813963037115e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[8.18688670e-01 8.18688670e-01 0.00000000e+00]
 [1.81311330e-01 1.81311330e-01 5.57309865e-35]
 [1.81311330e-01 8.18688670e-01 0.00000000e+00]
 [8.18688670e-01 1.81311330e-01 0.00000000e+00]
 [3.18688670e-01 3.18688670e-01 5.00000000e-01]
 [6.81311330e-01 6.81311330e-01 5.00000000e-01]
 [6.81311330e-01 3.18688670e-01 5.00000000e-01]
 [3.18688670e-01 6.81311330e-01 5.00000000e-01]]
cellpar =  Cell([[4.372434017896856, 3.286116079095357e-36, 4.723841512529778e-36], [1.0589177538416756e-36, 4.372434017896856, 1.0566576447241444e-18], [-8.460597871747517e-33, 6.279940299817269e-19, 2.5918210845733443]])
forces =  [[ 2.26370785e-09  2.26370785e-09  5.47055528e-28]
 [-2.26370785e-09 -2.26370785e-09 -5.47055528e-28]
 [-2.26370785e-09  2.26370785e-09  5.47055528e-28]
 [ 2.26370785e-09 -2.26370785e-09 -5.47055528e-28]
 [ 2.26370785e-09  2.26370785e-09  5.47055528e-28]
 [-2.26370785e-09 -2.26370785e-09 -5.47055528e-28]
 [-2.26370785e-09  2.26370785e-09  5.47055528e-28]
 [ 2.26370785e-09 -2.26370785e-09 -5.47055528e-28]]
stress =  [ 2.84748140e-10  2.84748140e-10  2.53847835e-10  2.85299158e-26
 -1.35957192e-34 -8.94734475e-51]
energy per atom =  -7.075127133250751
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0