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 15:23:38      -31.782374        0.7544
BFGS:    1 15:23:38      -31.802268        0.6077
BFGS:    2 15:23:38      -31.830541        0.2389
BFGS:    3 15:23:38      -31.832766        0.1596
BFGS:    4 15:23:38      -31.834449        0.1402
BFGS:    5 15:23:38      -31.836705        0.1069
BFGS:    6 15:23:38      -31.838669        0.0760
BFGS:    7 15:23:38      -31.839526        0.0405
BFGS:    8 15:23:38      -31.839699        0.0248
BFGS:    9 15:23:38      -31.839745        0.0185
BFGS:   10 15:23:39      -31.839772        0.0104
BFGS:   11 15:23:39      -31.839779        0.0026
BFGS:   12 15:23:39      -31.839780        0.0002
BFGS:   13 15:23:39      -31.839780        0.0000
BFGS:   14 15:23:39      -31.839780        0.0000
BFGS:   15 15:23:39      -31.839780        0.0000
BFGS:   16 15:23:39      -31.839780        0.0000
Minimization converged after 16 steps.
Maximum force component: 1.1793842370403209e-09 eV/Angstrom
Maximum stress component: 9.576379354163324e-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([[2.5176948423439853, 1.835907942852168e-18, 1.6632986170379576e-37], [-1.2588474211719927, 2.1803876924469487, -1.4651852757967877e-37], [-2.0500195680505008e-38, -9.907835993319331e-37, 4.075236363920569]])
forces =  [[-8.27546264e-32 -1.43335217e-31  1.17938424e-09]
 [-1.24131940e-31 -7.16676087e-32  1.17938424e-09]
 [ 8.27546264e-32  1.43335217e-31 -1.17938424e-09]
 [ 1.24131940e-31  7.16676087e-32 -1.17938424e-09]]
stress =  [-4.37020562e-11 -4.37020562e-11  9.57637935e-11 -1.47966247e-32
 -2.56285058e-32  3.25061484e-27]
energy per atom =  -0.6462197311651234
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0