element(s):
['C']
AFLOW prototype label:
A_hP4_194_f
Parameter names:
['a', 'c/a', 'z1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.5124', '1.6642254', '0.062750617']
model name:
hNN_WenTadmor_2019Grx_C__MO_421038499185_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.33333333 0.66666667 0.06275062]]
spacegroup =  194
cell =  [[2.5124, 0, 0], [-1.2562, 2.175802224468, 0], [0, 0, 4.1812]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:26:41      -29.896196        3.7885
BFGS:    1 15:26:41      -30.275898        1.8570
BFGS:    2 15:26:41      -30.385921        0.3767
BFGS:    3 15:26:41      -30.392856        0.5064
BFGS:    4 15:26:41      -30.413001        0.6628
BFGS:    5 15:26:41      -30.430518        0.4718
BFGS:    6 15:26:41      -30.435585        0.2021
BFGS:    7 15:26:41      -30.437414        0.0193
BFGS:    8 15:26:41      -30.437440        0.0159
BFGS:    9 15:26:41      -30.437484        0.0004
BFGS:   10 15:26:41      -30.437484        0.0000
BFGS:   11 15:26:41      -30.437484        0.0000
BFGS:   12 15:26:41      -30.437484        0.0000
Minimization converged after 12 steps.
Maximum force component: 8.562162865095899e-11 eV/Angstrom
Maximum stress component: 2.4651540861362088e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C']
basis =  [[0.33333333 0.66666667 0.07112015]
 [0.66666666 0.33333334 0.57112015]
 [0.66666666 0.33333334 0.92887985]
 [0.33333333 0.66666667 0.42887985]]
cellpar =  Cell([[2.610537051953427, -1.1007638171862328e-18, -1.0518682297285216e-37], [-1.3052685259767134, 2.260791404512206, -6.551002742860991e-37], [-8.988770464604175e-36, 2.2467622003697744e-35, 4.157690164132141]])
forces =  [[-1.28709414e-31  1.11465622e-31  8.56216287e-11]
 [ 1.28709414e-31  4.62633979e-46  8.56216287e-11]
 [ 8.58062759e-32 -1.11465622e-31 -8.56216287e-11]
 [-1.82338336e-31  9.28880184e-32 -8.56216287e-11]]
stress =  [-8.54946871e-12 -8.54946871e-12 -2.46515409e-11 -1.39873863e-32
 -5.28200675e-46  3.76418085e-28]
energy per atom =  -6.315227181135683
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0