element(s):
['C']
AFLOW prototype label:
A_cI16_206_c
Parameter names:
['a', 'x1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.4773', '0.15607601']
model name:
DUNN_WenTadmor_2019v2_C__MO_956135237832_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.15607601 0.15607601 0.15607601]]
spacegroup =  206
cell =  [[4.4773, 0, 0], [0, 4.4773, 0], [0, 0, 4.4773]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:34:52     -119.832628        0.2787
BFGS:    1 17:34:53     -119.849714        0.2681
BFGS:    2 17:34:53     -119.927884        0.1740
BFGS:    3 17:34:53     -119.934075        0.1454
BFGS:    4 17:34:54     -119.936136        0.1271
BFGS:    5 17:34:54     -119.938148        0.1099
BFGS:    6 17:34:54     -119.942794        0.0754
BFGS:    7 17:34:55     -119.949791        0.0602
BFGS:    8 17:34:55     -119.957503        0.0403
BFGS:    9 17:34:56     -119.960310        0.0145
BFGS:   10 17:34:56     -119.960585        0.0045
BFGS:   11 17:34:56     -119.960610        0.0001
BFGS:   12 17:34:57     -119.960610        0.0000
BFGS:   13 17:34:57     -119.960610        0.0000
Minimization converged after 13 steps.
Maximum force component: 3.90618384502992e-09 eV/Angstrom
Maximum stress component: 6.675016906472e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.15205361 0.15205361 0.15205361]
 [0.34794639 0.84794639 0.65205361]
 [0.84794639 0.65205361 0.34794639]
 [0.65205361 0.34794639 0.84794639]
 [0.65205361 0.65205361 0.65205361]
 [0.84794639 0.34794639 0.15205361]
 [0.34794639 0.15205361 0.84794639]
 [0.15205361 0.84794639 0.34794639]
 [0.84794639 0.84794639 0.84794639]
 [0.65205361 0.15205361 0.34794639]
 [0.15205361 0.34794639 0.65205361]
 [0.34794639 0.65205361 0.15205361]
 [0.34794639 0.34794639 0.34794639]
 [0.15205361 0.65205361 0.84794639]
 [0.65205361 0.84794639 0.15205361]
 [0.84794639 0.15205361 0.65205361]]
cellpar =  Cell([[4.524677531062845, -1.025718214427169e-37, 0.0], [-6.521330060343706e-38, 4.524677531062845, 0.0], [0.0, 0.0, 4.524677531062845]])
forces =  [[ 3.90618385e-09  3.90618385e-09  3.90618385e-09]
 [-3.90618385e-09 -3.90618385e-09  3.90618385e-09]
 [-3.90618385e-09  3.90618385e-09 -3.90618385e-09]
 [ 3.90618385e-09 -3.90618385e-09 -3.90618385e-09]
 [ 3.90618385e-09  3.90618385e-09  3.90618385e-09]
 [-3.90618385e-09 -3.90618385e-09  3.90618385e-09]
 [-3.90618385e-09  3.90618385e-09 -3.90618385e-09]
 [ 3.90618385e-09 -3.90618385e-09 -3.90618385e-09]
 [-3.90618385e-09 -3.90618385e-09 -3.90618385e-09]
 [ 3.90618385e-09  3.90618385e-09 -3.90618385e-09]
 [ 3.90618385e-09 -3.90618385e-09  3.90618385e-09]
 [-3.90618385e-09  3.90618385e-09  3.90618385e-09]
 [-3.90618385e-09 -3.90618385e-09 -3.90618385e-09]
 [ 3.90618385e-09  3.90618385e-09 -3.90618385e-09]
 [ 3.90618385e-09 -3.90618385e-09  3.90618385e-09]
 [-3.90618385e-09  3.90618385e-09  3.90618385e-09]]
stress =  [ 6.67501691e-10  6.67501691e-10  6.67501691e-10  0.00000000e+00
  0.00000000e+00 -1.05215272e-63]
energy per atom =  -0.134979626107949
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0