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_GW_GaoWeber_2002_SiC__SM_606253546840_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      -35.558671        5.1745
BFGS:    1 17:16:43      -38.001222        7.4132
BFGS:    2 17:16:43      -40.740595        5.2714
BFGS:    3 17:16:43      -41.333642        4.5676
BFGS:    4 17:16:43      -41.839576        4.1534
BFGS:    5 17:16:43      -42.335514        3.7056
BFGS:    6 17:16:43      -42.790037        3.2745
BFGS:    7 17:16:43      -43.201168        2.8629
BFGS:    8 17:16:43      -43.568826        2.4710
BFGS:    9 17:16:43      -43.893240        2.0988
BFGS:   10 17:16:43      -44.174870        1.7461
BFGS:   11 17:16:43      -44.414378        1.4128
BFGS:   12 17:16:43      -44.610115        1.1027
BFGS:   13 17:16:43      -44.764008        0.8160
BFGS:   14 17:16:43      -44.879107        0.5513
BFGS:   15 17:16:43      -44.958294        0.3607
BFGS:   16 17:16:43      -45.004376        0.2182
BFGS:   17 17:16:43      -45.020359        0.1179
BFGS:   18 17:16:43      -45.020750        0.1291
BFGS:   19 17:16:43      -45.022111        0.1490
BFGS:   20 17:16:43      -45.024513        0.1580
BFGS:   21 17:16:44      -45.028635        0.1368
BFGS:   22 17:16:44      -45.032146        0.0802
BFGS:   23 17:16:44      -45.033792        0.0328
BFGS:   24 17:16:44      -45.033970        0.0069
BFGS:   25 17:16:44      -45.033981        0.0005
BFGS:   26 17:16:44      -45.033982        0.0000
BFGS:   27 17:16:44      -45.033982        0.0000
BFGS:   28 17:16:44      -45.033982        0.0000
BFGS:   29 17:16:44      -45.033982        0.0000
Minimization converged after 29 steps.
Maximum force component: 1.1452925066657293e-09 eV/Angstrom
Maximum stress component: 9.538873419698784e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[8.19236793e-01 8.19236793e-01 0.00000000e+00]
 [1.80763207e-01 1.80763207e-01 0.00000000e+00]
 [1.80763207e-01 8.19236793e-01 0.00000000e+00]
 [8.19236793e-01 1.80763207e-01 5.68875862e-34]
 [3.19236793e-01 3.19236793e-01 5.00000000e-01]
 [6.80763207e-01 6.80763207e-01 5.00000000e-01]
 [6.80763207e-01 3.19236793e-01 5.00000000e-01]
 [3.19236793e-01 6.80763207e-01 5.00000000e-01]]
cellpar =  Cell([[4.870489738003427, -9.339765200299773e-36, -9.116228087179256e-33], [-3.1833599565164214e-36, 4.870489738003426, -3.092303503969609e-17], [1.5124498740221565e-32, -1.8117994205725117e-17, 2.708401003739493]])
forces =  [[-1.14529251e-09 -1.14529251e-09  7.27143151e-27]
 [ 1.14529251e-09  1.14529251e-09 -7.27143151e-27]
 [ 1.14529251e-09 -1.14529251e-09  7.27159842e-27]
 [-1.14529251e-09  1.14529251e-09 -7.27166519e-27]
 [-1.14529251e-09 -1.14529251e-09  7.27136474e-27]
 [ 1.14529251e-09  1.14529251e-09 -7.27136474e-27]
 [ 1.14529251e-09 -1.14529251e-09  7.27153166e-27]
 [-1.14529251e-09  1.14529251e-09 -7.27166519e-27]]
stress =  [-9.53887342e-11 -9.53887342e-11  3.29381288e-11 -8.14656360e-27
  7.47523496e-33  5.54594017e-49]
energy per atom =  -5.629247687672082
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0