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:
DUNN_WenTadmor_2019v2_C__MO_956135237832_000
==== 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 15:23:37      -31.199396        0.4919
BFGS:    1 15:23:37      -31.212114        0.4325
BFGS:    2 15:23:37      -31.239208        0.0901
BFGS:    3 15:23:38      -31.239727        0.0945
BFGS:    4 15:23:38      -31.241995        0.1043
BFGS:    5 15:23:38      -31.242192        0.0945
BFGS:    6 15:23:38      -31.243158        0.0220
BFGS:    7 15:23:38      -31.243227        0.0066
BFGS:    8 15:23:38      -31.243233        0.0002
BFGS:    9 15:23:38      -31.243233        0.0000
BFGS:   10 15:23:38      -31.243233        0.0000
BFGS:   11 15:23:38      -31.243233        0.0000
BFGS:   12 15:23:38      -31.243233        0.0000
Minimization converged after 12 steps.
Maximum force component: 3.1535693805937685e-10 eV/Angstrom
Maximum stress component: 9.614730119167273e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C']
basis =  [[0.33333333 0.66666667 0.05757773]
 [0.66666666 0.33333334 0.55757773]
 [0.66666666 0.33333334 0.94242227]
 [0.33333333 0.66666667 0.44242227]]
cellpar =  Cell([[2.550438599853912, 2.273956639346869e-18, -1.1807150778986632e-36], [-1.275219299926956, 2.2087446182659027, 2.95795407337425e-36], [-3.529538879565582e-36, 1.1731699284232222e-35, 4.150149504480906]])
forces =  [[-6.28731657e-32  1.08899517e-31  3.15356938e-10]
 [ 6.28731657e-32  3.62998391e-32  3.15356938e-10]
 [-7.33520267e-32 -5.44497587e-32 -3.15356938e-10]
 [-1.36225192e-31  1.81499196e-32 -3.15356938e-10]]
stress =  [-8.41071168e-11 -8.41071168e-11  9.61473012e-11 -2.15144970e-32
  1.24214006e-32  1.85516861e-26]
energy per atom =  -0.44824975886606566
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0