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 16:42:27     -118.226623         2.223659
BFGS:    1 16:42:27     -119.261370         1.517523
BFGS:    2 16:42:28     -119.467138         0.898275
BFGS:    3 16:42:28     -119.622764         0.159020
BFGS:    4 16:42:28     -119.625181         0.140890
BFGS:    5 16:42:29     -119.626288         0.136533
BFGS:    6 16:42:29     -119.642225         0.077336
BFGS:    7 16:42:30     -119.650722         0.062691
BFGS:    8 16:42:30     -119.652184         0.018984
BFGS:    9 16:42:30     -119.652236         0.004161
BFGS:   10 16:42:31     -119.652240         0.000100
BFGS:   11 16:42:31     -119.652240         0.000007
BFGS:   12 16:42:32     -119.652240         0.000000
BFGS:   13 16:42:32     -119.652240         0.000000
Minimization converged after 13 steps.
Maximum force component: 1.7087696857030967e-09 eV/Angstrom
Maximum stress component: 1.267572791977304e-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([[4.838371480603557, 1.3873434034513263e-32, 1.1653327873696373e-32], [-9.261994661857146e-33, 4.838371480603557, -4.119334154471684e-18], [-1.4927574807437458e-33, -4.119334154471685e-18, 4.838371480603557]])
forces =  [[-1.70876969e-09 -1.70876969e-09 -1.70876969e-09]
 [ 1.70876969e-09  1.70876969e-09 -1.70876969e-09]
 [ 1.70876969e-09 -1.70876969e-09  1.70876969e-09]
 [-1.70876969e-09  1.70876969e-09  1.70876969e-09]
 [-1.70876969e-09 -1.70876969e-09  1.70876969e-09]
 [ 1.70876969e-09  1.70876969e-09  1.70876969e-09]
 [-1.70876969e-09  1.70876969e-09 -1.70876969e-09]
 [ 1.70876969e-09 -1.70876969e-09 -1.70876969e-09]
 [-1.70876969e-09 -1.70876969e-09 -1.70876969e-09]
 [ 1.70876969e-09  1.70876969e-09 -1.70876969e-09]
 [ 1.70876969e-09 -1.70876969e-09  1.70876969e-09]
 [-1.70876969e-09  1.70876969e-09  1.70876969e-09]
 [-1.70876969e-09 -1.70876969e-09  1.70876969e-09]
 [ 1.70876969e-09  1.70876969e-09  1.70876969e-09]
 [-1.70876969e-09  1.70876969e-09 -1.70876969e-09]
 [ 1.70876969e-09 -1.70876969e-09 -1.70876969e-09]]
stress =  [ 1.26757279e-10  1.26757279e-10  1.26757279e-10 -5.38879730e-26
 -4.21222952e-33  9.62302787e-49]
energy per atom =  -0.11570651793076259
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0