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 15:42:37      -60.145741        3.9127
BFGS:    1 15:42:37      -60.628256        2.9002
BFGS:    2 15:42:37      -60.952469        1.8728
BFGS:    3 15:42:37      -61.129662        0.9225
BFGS:    4 15:42:37      -61.181769        0.2366
BFGS:    5 15:42:37      -61.184107        0.3021
BFGS:    6 15:42:37      -61.188916        0.3616
BFGS:    7 15:42:37      -61.196116        0.3465
BFGS:    8 15:42:37      -61.204267        0.2008
BFGS:    9 15:42:37      -61.208909        0.1595
BFGS:   10 15:42:37      -61.211159        0.1030
BFGS:   11 15:42:37      -61.212458        0.0892
BFGS:   12 15:42:37      -61.213277        0.0572
BFGS:   13 15:42:37      -61.213684        0.0224
BFGS:   14 15:42:37      -61.213745        0.0058
BFGS:   15 15:42:37      -61.213749        0.0013
BFGS:   16 15:42:37      -61.213749        0.0006
BFGS:   17 15:42:37      -61.213749        0.0001
BFGS:   18 15:42:37      -61.213749        0.0000
BFGS:   19 15:42:37      -61.213749        0.0000
BFGS:   20 15:42:37      -61.213749        0.0000
BFGS:   21 15:42:37      -61.213749        0.0000
Minimization converged after 21 steps.
Maximum force component: 2.4909014339508116e-10 eV/Angstrom
Maximum stress component: 2.1906156370458487e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[1.37651001e-34 6.75988230e-35 9.07153429e-02]
 [6.02659000e-36 5.68782801e-35 5.90715343e-01]
 [0.00000000e+00 0.00000000e+00 9.09284657e-01]
 [0.00000000e+00 0.00000000e+00 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([[2.602938024006338, 2.362289419328076e-18, 9.328257805450453e-37], [-1.301469012003169, 2.2542104532659577, 1.9368909148880715e-36], [9.128564146369315e-37, -1.8607901830105498e-35, 8.34184470629783]])
forces =  [[-1.28334753e-31 -3.70470521e-32  2.49090143e-10]
 [-4.27782510e-32 -7.40941041e-32  2.49090143e-10]
 [ 8.55565019e-32  1.48188208e-31 -2.49090143e-10]
 [-1.71113004e-31  7.40941041e-32 -2.49090143e-10]
 [ 4.27782510e-32 -7.40941041e-32  1.77949471e-10]
 [-1.49723878e-31 -1.85235260e-31  1.77949471e-10]
 [-1.72729384e-47  2.96376416e-31 -1.77949471e-10]
 [ 1.49723878e-31  3.70470521e-32 -1.77949471e-10]]
stress =  [-2.19061564e-10 -2.19061564e-10 -2.00607524e-10 -2.79674335e-32
  5.50549562e-45  4.22055708e-26]
energy per atom =  -6.357574785359015
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0