element(s):
['C']
AFLOW prototype label:
A_cI16_229_f
Parameter names:
['a', 'x1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.8764', '0.16261302']
model name:
DUNN_WenTadmor_2019v2_C__MO_956135237832_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.16261302 0.16261302 0.16261302]]
spacegroup =  229
cell =  [[4.8764, 0, 0], [0, 4.8764, 0], [0, 0, 4.8764]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:41:46     -118.226623        2.2237
BFGS:    1 17:41:46     -119.261370        1.5175
BFGS:    2 17:41:47     -119.467138        0.8983
BFGS:    3 17:41:47     -119.622764        0.1590
BFGS:    4 17:41:47     -119.625181        0.1409
BFGS:    5 17:41:48     -119.626288        0.1365
BFGS:    6 17:41:48     -119.642225        0.0773
BFGS:    7 17:41:48     -119.650722        0.0627
BFGS:    8 17:41:48     -119.652184        0.0190
BFGS:    9 17:41:49     -119.652236        0.0042
BFGS:   10 17:41:49     -119.652240        0.0001
BFGS:   11 17:41:49     -119.652240        0.0000
BFGS:   12 17:41:50     -119.652240        0.0000
BFGS:   13 17:41:50     -119.652240        0.0000
Minimization converged after 13 steps.
Maximum force component: 1.7087696244842144e-09 eV/Angstrom
Maximum stress component: 1.2675629994181763e-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 =  [[0.17027517 0.17027517 0.17027517]
 [0.82972483 0.82972483 0.17027517]
 [0.82972483 0.17027517 0.82972483]
 [0.17027517 0.82972483 0.82972483]
 [0.17027517 0.17027517 0.82972483]
 [0.82972483 0.82972483 0.82972483]
 [0.17027517 0.82972483 0.17027517]
 [0.82972483 0.17027517 0.17027517]
 [0.67027517 0.67027517 0.67027517]
 [0.32972483 0.32972483 0.67027517]
 [0.32972483 0.67027517 0.32972483]
 [0.67027517 0.32972483 0.32972483]
 [0.67027517 0.67027517 0.32972483]
 [0.32972483 0.32972483 0.32972483]
 [0.67027517 0.32972483 0.67027517]
 [0.32972483 0.67027517 0.67027517]]
cellpar =  Cell([[4.8383714806035565, -3.0740330661136046e-32, 1.3498436052376582e-32], [-3.4808847097302793e-32, 4.8383714806035565, 1.736008720344692e-18], [-2.1393038708297366e-33, 1.7360087203447004e-18, 4.8383714806035565]])
forces =  [[-1.70876962e-09 -1.70876962e-09 -1.70876962e-09]
 [ 1.70876962e-09  1.70876962e-09 -1.70876962e-09]
 [ 1.70876962e-09 -1.70876962e-09  1.70876962e-09]
 [-1.70876962e-09  1.70876962e-09  1.70876962e-09]
 [-1.70876962e-09 -1.70876962e-09  1.70876962e-09]
 [ 1.70876962e-09  1.70876962e-09  1.70876962e-09]
 [-1.70876962e-09  1.70876962e-09 -1.70876962e-09]
 [ 1.70876962e-09 -1.70876962e-09 -1.70876962e-09]
 [-1.70876962e-09 -1.70876962e-09 -1.70876962e-09]
 [ 1.70876962e-09  1.70876962e-09 -1.70876962e-09]
 [ 1.70876962e-09 -1.70876962e-09  1.70876962e-09]
 [-1.70876962e-09  1.70876962e-09  1.70876962e-09]
 [-1.70876962e-09 -1.70876962e-09  1.70876962e-09]
 [ 1.70876962e-09  1.70876962e-09  1.70876962e-09]
 [-1.70876962e-09  1.70876962e-09 -1.70876962e-09]
 [ 1.70876962e-09 -1.70876962e-09 -1.70876962e-09]]
stress =  [ 1.26756300e-10  1.26756300e-10  1.26756300e-10 -1.17580124e-26
 -4.21222952e-33  1.80214562e-50]
energy per atom =  -0.1157065179307617
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0