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 14:49:06      -43.821880         2.242417
BFGS:    1 14:49:06      -44.025702         2.070451
BFGS:    2 14:49:06      -44.310805         1.845441
BFGS:    3 14:49:06      -44.565888         1.642625
BFGS:    4 14:49:06      -44.793601         1.453453
BFGS:    5 14:49:06      -44.994816         1.274172
BFGS:    6 14:49:06      -45.170223         1.102975
BFGS:    7 14:49:06      -45.320599         0.938907
BFGS:    8 14:49:06      -45.446803         0.781406
BFGS:    9 14:49:06      -45.549738         0.630097
BFGS:   10 14:49:06      -45.630320         0.484700
BFGS:   11 14:49:06      -45.689464         0.344997
BFGS:   12 14:49:06      -45.728083         0.210807
BFGS:   13 14:49:06      -45.747101         0.082014
BFGS:   14 14:49:06      -45.749586         0.036095
BFGS:   15 14:49:06      -45.749619         0.037728
BFGS:   16 14:49:06      -45.749809         0.040220
BFGS:   17 14:49:06      -45.750026         0.035094
BFGS:   18 14:49:06      -45.750272         0.021325
BFGS:   19 14:49:06      -45.750383         0.016337
BFGS:   20 14:49:06      -45.750410         0.007930
BFGS:   21 14:49:06      -45.750414         0.003036
BFGS:   22 14:49:06      -45.750415         0.000629
BFGS:   23 14:49:06      -45.750415         0.000152
BFGS:   24 14:49:06      -45.750415         0.000052
BFGS:   25 14:49:06      -45.750415         0.000015
BFGS:   26 14:49:06      -45.750415         0.000004
BFGS:   27 14:49:06      -45.750415         0.000001
BFGS:   28 14:49:06      -45.750415         0.000000
BFGS:   29 14:49:06      -45.750415         0.000000
Minimization converged after 29 steps.
Maximum force component: 1.979822639164297e-09 eV/Angstrom
Maximum stress component: 2.3312167977584636e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.00000000e+00 2.62476581e-35 9.37500000e-02]
 [3.83502736e-35 6.00261866e-36 5.93750000e-01]
 [0.00000000e+00 0.00000000e+00 9.06250000e-01]
 [2.35492547e-35 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([[2.730475729563807, 6.4373457230537965e-18, -1.0017345807901194e-36], [-1.3652378647819035, 2.3646613462191066, -5.183023964082552e-38], [6.24471839374379e-37, 4.3666444181440447e-36, 8.917696389603195]])
forces =  [[ 2.80464265e-31 -1.74880208e-31  1.97982264e-09]
 [-4.59961395e-31  3.30329283e-31  1.97982264e-09]
 [-4.03868542e-31  3.88622685e-31 -1.97982264e-09]
 [ 8.97485648e-31 -3.10898148e-31 -1.97982264e-09]
 [ 2.46808553e-31 -3.88622685e-32 -1.08217257e-09]
 [-3.36557118e-32  2.13742477e-31 -1.08217257e-09]
 [-1.12185706e-31 -1.16586806e-31  1.08217257e-09]
 [-4.48742824e-32 -7.77245371e-32  1.08217257e-09]]
stress =  [-3.70161892e-11 -3.70161892e-11 -2.33121680e-10  7.79359012e-34
  6.74944703e-34 -1.15233397e-26]
energy per atom =  -5.718801885242271
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0