element(s):
['C', 'Si']
AFLOW prototype label:
A2B_tP6_131_i_e
Parameter names:
['a', 'c/a', 'z2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.1802', '2.1648324', '0.59917023']
model name:
Sim_LAMMPS_EDIP_LucasBertolusPizzagalli_2009_SiC__SM_435704953434_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'Si']
representative atom coordinates =  [[0.         0.5        0.59917023]
 [0.         0.         0.25      ]]
spacegroup =  131
cell =  [[3.1802, 0, 0], [0, 3.1802, 0], [0, 0, 6.8846]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 16:59:48      -36.963541        6.0304
BFGS:    1 16:59:48      -37.677408        1.0647
BFGS:    2 16:59:48      -37.704538        0.2579
BFGS:    3 16:59:48      -37.706670        0.2092
BFGS:    4 16:59:48      -37.712933        0.2005
BFGS:    5 16:59:48      -37.714751        0.1194
BFGS:    6 16:59:48      -37.715129        0.0346
BFGS:    7 16:59:48      -37.715162        0.0264
BFGS:    8 16:59:48      -37.715194        0.0195
BFGS:    9 16:59:48      -37.715254        0.0333
BFGS:   10 16:59:48      -37.715312        0.0300
BFGS:   11 16:59:48      -37.715338        0.0124
BFGS:   12 16:59:48      -37.715342        0.0019
BFGS:   13 16:59:48      -37.715342        0.0001
BFGS:   14 16:59:48      -37.715342        0.0000
BFGS:   15 16:59:48      -37.715342        0.0000
BFGS:   16 16:59:48      -37.715342        0.0000
Minimization converged after 16 steps.
Maximum force component: 4.41918228399896e-09 eV/Angstrom
Maximum stress component: 3.4641530513117177e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'Si', 'Si']
basis =  [[0.00000000e+00 5.00000000e-01 6.07991911e-01]
 [5.00000000e-01 1.92549781e-33 1.07991911e-01]
 [6.02308612e-35 5.00000000e-01 3.92008089e-01]
 [5.00000000e-01 1.92549781e-32 8.92008089e-01]
 [0.00000000e+00 1.92549781e-33 2.50000000e-01]
 [0.00000000e+00 3.85099561e-33 7.50000000e-01]]
cellpar =  Cell([[3.2007181727947116, -6.435543641139919e-36, 8.843716865290965e-33], [-1.7955133204158908e-36, 3.2007181727947134, -4.5518837992890904e-17], [2.2084677760085842e-32, -9.903646288776481e-17, 6.9406297506381245]])
forces =  [[-6.53463832e-34  6.30577048e-26 -4.41918228e-09]
 [-1.40615795e-41  6.30577085e-26 -4.41918228e-09]
 [-1.23287178e-33 -6.30576259e-26  4.41918228e-09]
 [ 1.40615795e-41 -6.30577067e-26  4.41918228e-09]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [ 1.81429554e-11  1.81429554e-11  3.46415305e-10 -2.75384755e-25
 -2.18471461e-33  1.73872467e-48]
energy per atom =  -6.2858903473600956
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0