element(s):
['C']
AFLOW prototype label:
A_hP8_194_ef
Parameter names:
['a', 'c/a', 'z1', 'z2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.5188', '3.2978799', '0.092975226', '0.65554043']
model name:
Sim_LAMMPS_GW_GaoWeber_2002_SiC__SM_606253546840_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C']
representative atom coordinates =  [[0.         0.         0.09297523]
 [0.33333333 0.66666667 0.65554043]]
spacegroup =  194
cell =  [[2.5188, 0, 0], [-1.2594, 2.1813447870522, 0], [0, 0, 8.3067]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:41:26      -43.821880        2.2424
BFGS:    1 15:41:26      -44.025702        2.0705
BFGS:    2 15:41:26      -44.310805        1.8454
BFGS:    3 15:41:26      -44.565888        1.6426
BFGS:    4 15:41:26      -44.793601        1.4535
BFGS:    5 15:41:26      -44.994816        1.2742
BFGS:    6 15:41:26      -45.170223        1.1030
BFGS:    7 15:41:26      -45.320599        0.9389
BFGS:    8 15:41:26      -45.446803        0.7814
BFGS:    9 15:41:26      -45.549738        0.6301
BFGS:   10 15:41:26      -45.630320        0.4847
BFGS:   11 15:41:26      -45.689464        0.3450
BFGS:   12 15:41:26      -45.728083        0.2108
BFGS:   13 15:41:26      -45.747101        0.0820
BFGS:   14 15:41:26      -45.749586        0.0361
BFGS:   15 15:41:26      -45.749619        0.0377
BFGS:   16 15:41:26      -45.749809        0.0402
BFGS:   17 15:41:26      -45.750026        0.0351
BFGS:   18 15:41:26      -45.750272        0.0213
BFGS:   19 15:41:26      -45.750383        0.0163
BFGS:   20 15:41:26      -45.750410        0.0079
BFGS:   21 15:41:26      -45.750414        0.0030
BFGS:   22 15:41:26      -45.750415        0.0006
BFGS:   23 15:41:26      -45.750415        0.0002
BFGS:   24 15:41:26      -45.750415        0.0001
BFGS:   25 15:41:26      -45.750415        0.0000
BFGS:   26 15:41:26      -45.750415        0.0000
BFGS:   27 15:41:26      -45.750415        0.0000
BFGS:   28 15:41:27      -45.750415        0.0000
BFGS:   29 15:41:27      -45.750415        0.0000
Minimization converged after 29 steps.
Maximum force component: 1.979775232641145e-09 eV/Angstrom
Maximum stress component: 2.3311981328613995e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.00000000e+00 6.31197584e-35 9.37500000e-02]
 [6.36351380e-35 0.00000000e+00 5.93750000e-01]
 [5.22985273e-35 2.98166123e-35 9.06250000e-01]
 [0.00000000e+00 0.00000000e+00 4.06250000e-01]
 [3.33333333e-01 6.66666667e-01 6.56250000e-01]
 [6.66666667e-01 3.33333333e-01 1.56250000e-01]
 [6.66666667e-01 3.33333333e-01 3.43750000e-01]
 [3.33333333e-01 6.66666667e-01 8.43750000e-01]]
cellpar =  Cell([[2.7304757295638056, -5.7934817135377674e-18, 5.8409326643767005e-37], [-1.3652378647819028, 2.364661346219104, 1.1119025752133307e-36], [2.262549511440157e-37, 2.5785440601542777e-36, 8.9176963896032]])
forces =  [[ 5.02297823e-47  5.72450266e-46  1.97977523e-09]
 [-1.12185706e-31  1.94311343e-31  1.97977523e-09]
 [-2.24371412e-31 -5.71974198e-46 -1.97977523e-09]
 [-5.02297823e-47 -5.72450266e-46 -1.97977523e-09]
 [ 2.24371412e-31 -7.77245371e-32 -1.08214770e-09]
 [-2.46808553e-31  3.88622685e-32 -1.08214770e-09]
 [-4.03868542e-31  3.88622685e-31  1.08214770e-09]
 [ 1.34622847e-31 -2.33173611e-31  1.08214770e-09]]
stress =  [-3.70190197e-11 -3.70190197e-11 -2.33119813e-10  1.05213467e-32
 -3.37472351e-33  1.83992263e-26]
energy per atom =  -5.718801885242269
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0