element(s):
['C']
AFLOW prototype label:
A_hP8_194_ef
Parameter names:
['a', 'c/a', 'z1', 'z2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.5188', '3.2978799', '0.092975226', '0.65554043']
model name:
hNN_WenTadmor_2019Grx_C__MO_421038499185_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C']
representative atom coordinates =  [[0.         0.         0.09297523]
 [0.33333333 0.66666667 0.65554043]]
spacegroup =  194
cell =  [[2.5188, 0, 0], [-1.2594, 2.1813447870522, 0], [0, 0, 8.3067]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:50:58      -60.145741         3.912699
BFGS:    1 15:50:58      -60.628256         2.900194
BFGS:    2 15:50:59      -60.952469         1.872808
BFGS:    3 15:50:59      -61.129662         0.922537
BFGS:    4 15:50:59      -61.181769         0.236586
BFGS:    5 15:50:59      -61.184107         0.302061
BFGS:    6 15:50:59      -61.188916         0.361576
BFGS:    7 15:50:59      -61.196116         0.346459
BFGS:    8 15:50:59      -61.204267         0.200844
BFGS:    9 15:51:00      -61.208909         0.159530
BFGS:   10 15:51:00      -61.211159         0.102983
BFGS:   11 15:51:00      -61.212458         0.089220
BFGS:   12 15:51:00      -61.213277         0.057234
BFGS:   13 15:51:00      -61.213684         0.022424
BFGS:   14 15:51:00      -61.213745         0.005798
BFGS:   15 15:51:00      -61.213749         0.001296
BFGS:   16 15:51:00      -61.213749         0.000560
BFGS:   17 15:51:00      -61.213749         0.000084
BFGS:   18 15:51:00      -61.213749         0.000011
BFGS:   19 15:51:00      -61.213749         0.000001
BFGS:   20 15:51:00      -61.213749         0.000000
BFGS:   21 15:51:01      -61.213749         0.000000
Minimization converged after 21 steps.
Maximum force component: 2.4910796746966566e-10 eV/Angstrom
Maximum stress component: 2.1905695661673306e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.00000000e+00 0.00000000e+00 9.07153429e-02]
 [0.00000000e+00 0.00000000e+00 5.90715343e-01]
 [9.11777085e-35 1.39884489e-34 9.09284657e-01]
 [1.04732563e-34 4.75665183e-35 4.09284657e-01]
 [3.33333333e-01 6.66666667e-01 6.58192695e-01]
 [6.66666667e-01 3.33333333e-01 1.58192695e-01]
 [6.66666667e-01 3.33333333e-01 3.41807305e-01]
 [3.33333333e-01 6.66666667e-01 8.41807305e-01]]
cellpar =  Cell([[2.602938024006339, 3.570212915086938e-18, 6.287311556647084e-37], [-1.3014690120031696, 2.254210453265959, 1.3543569075363955e-36], [1.176682132248717e-36, -7.232659684861941e-36, 8.34184470629783]])
forces =  [[ 1.35018855e-31 -9.03021894e-32  2.49107967e-10]
 [ 1.22987471e-31  9.26176301e-33  2.49107967e-10]
 [-3.56886806e-47 -7.40941041e-32 -2.49107967e-10]
 [ 2.94100475e-32  9.72485116e-32 -2.49107967e-10]
 [ 3.42226008e-31 -1.53829016e-46  1.77961288e-10]
 [-2.13891255e-31  2.22282312e-31  1.77961288e-10]
 [-1.28334753e-31 -7.40941041e-32 -1.77961288e-10]
 [ 3.20836882e-32 -5.55705781e-32 -1.77961288e-10]]
stress =  [-2.19056957e-10 -2.19056957e-10 -2.00604621e-10 -1.95772035e-31
  4.84410158e-32  2.73431240e-26]
energy per atom =  -6.357574785359001
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0