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:
hNN_WenTadmor_2019Grx_C__MO_421038499185_001
==== 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 17:44:31     -111.727661        2.1078
BFGS:    1 17:44:32     -112.044877        0.1612
BFGS:    2 17:44:32     -112.050457        0.1205
BFGS:    3 17:44:32     -112.054411        0.0867
BFGS:    4 17:44:32     -112.055669        0.0544
BFGS:    5 17:44:32     -112.055823        0.0458
BFGS:    6 17:44:32     -112.056117        0.0257
BFGS:    7 17:44:32     -112.056365        0.0205
BFGS:    8 17:44:32     -112.056506        0.0096
BFGS:    9 17:44:32     -112.056526        0.0021
BFGS:   10 17:44:32     -112.056527        0.0002
BFGS:   11 17:44:32     -112.056527        0.0000
BFGS:   12 17:44:32     -112.056527        0.0000
BFGS:   13 17:44:32     -112.056527        0.0000
BFGS:   14 17:44:32     -112.056527        0.0000
Minimization converged after 14 steps.
Maximum force component: 1.895672090255192e-10 eV/Angstrom
Maximum stress component: 3.189223105653403e-11 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 =  [[0.16554841 0.16554841 0.16554841]
 [0.83445159 0.83445159 0.16554841]
 [0.83445159 0.16554841 0.83445159]
 [0.16554841 0.83445159 0.83445159]
 [0.16554841 0.16554841 0.83445159]
 [0.83445159 0.83445159 0.83445159]
 [0.16554841 0.83445159 0.16554841]
 [0.83445159 0.16554841 0.16554841]
 [0.66554841 0.66554841 0.66554841]
 [0.33445159 0.33445159 0.66554841]
 [0.33445159 0.66554841 0.33445159]
 [0.66554841 0.33445159 0.33445159]
 [0.66554841 0.66554841 0.33445159]
 [0.33445159 0.33445159 0.33445159]
 [0.66554841 0.33445159 0.66554841]
 [0.33445159 0.66554841 0.66554841]]
cellpar =  Cell([[4.873446803239134, -9.305051604253929e-33, -3.597856443404589e-33], [-2.2092823770229047e-32, 4.873446803239134, 3.4221039968971723e-19], [4.945132182322766e-35, 3.422103996897141e-19, 4.873446803239134]])
forces =  [[-1.89567209e-10 -1.89567209e-10 -1.89567209e-10]
 [ 1.89567209e-10  1.89567209e-10 -1.89567209e-10]
 [ 1.89567209e-10 -1.89567209e-10  1.89567209e-10]
 [-1.89567209e-10  1.89567209e-10  1.89567209e-10]
 [-1.89567209e-10 -1.89567209e-10  1.89567209e-10]
 [ 1.89567209e-10  1.89567209e-10  1.89567209e-10]
 [-1.89567209e-10  1.89567209e-10 -1.89567209e-10]
 [ 1.89567209e-10 -1.89567209e-10 -1.89567209e-10]
 [-1.89567209e-10 -1.89567209e-10 -1.89567209e-10]
 [ 1.89567209e-10  1.89567209e-10 -1.89567209e-10]
 [ 1.89567209e-10 -1.89567209e-10  1.89567209e-10]
 [-1.89567209e-10  1.89567209e-10  1.89567209e-10]
 [-1.89567209e-10 -1.89567209e-10  1.89567209e-10]
 [ 1.89567209e-10  1.89567209e-10  1.89567209e-10]
 [-1.89567209e-10  1.89567209e-10 -1.89567209e-10]
 [ 1.89567209e-10 -1.89567209e-10 -1.89567209e-10]]
stress =  [3.18922311e-11 3.18922311e-11 3.18922311e-11 1.05974923e-28
 6.91969156e-34 2.14495431e-51]
energy per atom =  -5.709389094245104
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0