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_2019v3_C__MO_714772088128_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 15:30:33      -31.782374         0.754443
BFGS:    1 15:30:33      -31.802268         0.607729
BFGS:    2 15:30:33      -31.830541         0.238890
BFGS:    3 15:30:33      -31.832766         0.159597
BFGS:    4 15:30:33      -31.834449         0.140210
BFGS:    5 15:30:34      -31.836705         0.106933
BFGS:    6 15:30:34      -31.838669         0.075971
BFGS:    7 15:30:34      -31.839526         0.040499
BFGS:    8 15:30:34      -31.839699         0.024827
BFGS:    9 15:30:34      -31.839745         0.018516
BFGS:   10 15:30:34      -31.839772         0.010361
BFGS:   11 15:30:34      -31.839779         0.002605
BFGS:   12 15:30:34      -31.839780         0.000242
BFGS:   13 15:30:34      -31.839780         0.000036
BFGS:   14 15:30:35      -31.839780         0.000002
BFGS:   15 15:30:35      -31.839780         0.000000
BFGS:   16 15:30:35      -31.839780         0.000000
Minimization converged after 16 steps.
Maximum force component: 1.1793829896962142e-09 eV/Angstrom
Maximum stress component: 9.576424018729925e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C']
basis =  [[0.33333333 0.66666667 0.05622669]
 [0.66666666 0.33333334 0.55622669]
 [0.66666666 0.33333334 0.94377331]
 [0.33333333 0.66666667 0.44377331]]
cellpar =  Cell([[2.517694842343985, 1.7710666847079025e-18, -1.354489252035258e-37], [-1.2588474211719924, 2.1803876924469487, -1.2526586205452604e-36], [3.065630393048206e-36, -6.09960715994357e-36, 4.075236363920569]])
forces =  [[ 2.06886566e-31 -7.16676087e-32  1.17938299e-09]
 [ 1.86197909e-31  1.07501413e-31  1.17938299e-09]
 [-4.13773132e-32 -2.15002826e-31 -1.17938299e-09]
 [ 1.24131940e-31 -7.16676087e-32 -1.17938299e-09]]
stress =  [-4.37023011e-11 -4.37023011e-11  9.57642402e-11 -2.19496522e-45
 -7.19760756e-46 -1.66725049e-26]
energy per atom =  -0.6462197311651225
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0