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 17:16:43      -56.448330        1.1568
BFGS:    1 17:16:43      -56.464474        1.1457
BFGS:    2 17:16:43      -56.496340        1.0061
BFGS:    3 17:16:43      -56.541837        0.7298
BFGS:    4 17:16:43      -56.571816        0.4733
BFGS:    5 17:16:43      -56.589375        0.2327
BFGS:    6 17:16:43      -56.595665        0.1378
BFGS:    7 17:16:43      -56.596430        0.1383
BFGS:    8 17:16:43      -56.598852        0.1094
BFGS:    9 17:16:43      -56.600167        0.1077
BFGS:   10 17:16:43      -56.600902        0.0574
BFGS:   11 17:16:43      -56.601010        0.0137
BFGS:   12 17:16:43      -56.601017        0.0007
BFGS:   13 17:16:43      -56.601017        0.0001
BFGS:   14 17:16:43      -56.601017        0.0000
BFGS:   15 17:16:43      -56.601017        0.0000
BFGS:   16 17:16:43      -56.601017        0.0000
BFGS:   17 17:16:43      -56.601017        0.0000
Minimization converged after 17 steps.
Maximum force component: 2.263646577474466e-09 eV/Angstrom
Maximum stress component: 2.8474539328304776e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[8.1868867e-01 8.1868867e-01 0.0000000e+00]
 [1.8131133e-01 1.8131133e-01 0.0000000e+00]
 [1.8131133e-01 8.1868867e-01 3.7153991e-35]
 [8.1868867e-01 1.8131133e-01 0.0000000e+00]
 [3.1868867e-01 3.1868867e-01 5.0000000e-01]
 [6.8131133e-01 6.8131133e-01 5.0000000e-01]
 [6.8131133e-01 3.1868867e-01 5.0000000e-01]
 [3.1868867e-01 6.8131133e-01 5.0000000e-01]]
cellpar =  Cell([[4.372434017896856, 5.311356767732228e-36, -7.38809618232255e-36], [6.085742512356967e-36, 4.372434017896855, 9.821672743698068e-19], [6.876435854622598e-33, 6.388639695501218e-19, 2.5918210845733434]])
forces =  [[ 2.26364658e-09  2.26364658e-09  5.08476418e-28]
 [-2.26364658e-09 -2.26364658e-09 -5.08220845e-28]
 [-2.26364658e-09  2.26364658e-09  5.08476418e-28]
 [ 2.26364658e-09 -2.26364658e-09 -5.08476418e-28]
 [ 2.26364658e-09  2.26364658e-09  5.08476418e-28]
 [-2.26364658e-09 -2.26364658e-09 -5.08348632e-28]
 [-2.26364658e-09  2.26364658e-09  5.08412525e-28]
 [ 2.26364658e-09 -2.26364658e-09 -5.08572258e-28]]
stress =  [ 2.84745393e-10  2.84745393e-10  2.53847219e-10 -3.20446533e-26
 -6.79785966e-34  1.17477538e-49]
energy per atom =  -7.075127133250749
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0