element(s):
['C']
AFLOW prototype label:
A_oC16_65_pq
Parameter names:
['a', 'b/a', 'c/a', 'x1', 'y1', 'x2', 'y2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.2547', '2.0610619', '0.59089948', '0.18519352', '0.16660457', '0.18446938', '0.41082374']
model name:
DUNN_WenTadmor_2019v2_C__MO_956135237832_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C']
representative atom coordinates =  [[0.18519352 0.16660457 0.        ]
 [0.18446938 0.41082374 0.5       ]]
spacegroup =  65
cell =  [[4.2547, 0, 0], [0, 8.7692, 0], [0, 0, 2.5141]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:40:43     -124.248744         1.197272
BFGS:    1 15:40:43     -124.431002         0.756756
BFGS:    2 15:40:44     -124.572515         0.327559
BFGS:    3 15:40:44     -124.586311         0.249856
BFGS:    4 15:40:45     -124.604133         0.154870
BFGS:    5 15:40:45     -124.607140         0.141446
BFGS:    6 15:40:46     -124.612876         0.102395
BFGS:    7 15:40:46     -124.613788         0.093509
BFGS:    8 15:40:46     -124.614335         0.084888
BFGS:    9 15:40:47     -124.614742         0.074979
BFGS:   10 15:40:47     -124.615482         0.050819
BFGS:   11 15:40:48     -124.615994         0.029552
BFGS:   12 15:40:48     -124.616271         0.026343
BFGS:   13 15:40:48     -124.616391         0.016653
BFGS:   14 15:40:49     -124.616465         0.012182
BFGS:   15 15:40:49     -124.616496         0.010541
BFGS:   16 15:40:50     -124.616508         0.010848
BFGS:   17 15:40:50     -124.616517         0.011071
BFGS:   18 15:40:51     -124.616537         0.010836
BFGS:   19 15:40:51     -124.616573         0.013643
BFGS:   20 15:40:52     -124.616615         0.012902
BFGS:   21 15:40:52     -124.616639         0.006155
BFGS:   22 15:40:53     -124.616644         0.001588
BFGS:   23 15:40:53     -124.616644         0.001535
BFGS:   24 15:40:54     -124.616644         0.001491
BFGS:   25 15:40:54     -124.616644         0.001548
BFGS:   26 15:40:54     -124.616645         0.001500
BFGS:   27 15:40:55     -124.616646         0.001182
BFGS:   28 15:40:55     -124.616647         0.000823
BFGS:   29 15:40:56     -124.616647         0.000307
BFGS:   30 15:40:56     -124.616647         0.000060
BFGS:   31 15:40:57     -124.616647         0.000005
BFGS:   32 15:40:57     -124.616647         0.000000
BFGS:   33 15:40:58     -124.616647         0.000000
BFGS:   34 15:40:58     -124.616647         0.000000
Minimization converged after 34 steps.
Maximum force component: 1.7793768543825134e-10 eV/Angstrom
Maximum stress component: 2.0674441631081266e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[1.88217862e-01 1.64073527e-01 0.00000000e+00]
 [8.11782138e-01 8.35926473e-01 1.22308542e-35]
 [8.11782138e-01 1.64073527e-01 0.00000000e+00]
 [1.88217862e-01 8.35926473e-01 1.05559626e-35]
 [6.88217862e-01 6.64073527e-01 0.00000000e+00]
 [3.11782138e-01 3.35926473e-01 5.40802592e-36]
 [3.11782138e-01 6.64073527e-01 0.00000000e+00]
 [6.88217862e-01 3.35926473e-01 5.07228037e-36]
 [2.00166448e-01 4.12373426e-01 5.00000000e-01]
 [7.99833552e-01 5.87626574e-01 5.00000000e-01]
 [7.99833552e-01 4.12373426e-01 5.00000000e-01]
 [2.00166448e-01 5.87626574e-01 5.00000000e-01]
 [7.00166448e-01 9.12373426e-01 5.00000000e-01]
 [2.99833552e-01 8.76265739e-02 5.00000000e-01]
 [2.99833552e-01 9.12373426e-01 5.00000000e-01]
 [7.00166448e-01 8.76265739e-02 5.00000000e-01]]
cellpar =  Cell([[4.260420010260487, 6.018373411783095e-37, 0.0], [-3.064943946305192e-36, 8.796274996371883, 0.0], [0.0, 0.0, 2.5297568351814483]])
forces =  [[-1.60448320e-10  1.77937685e-10  0.00000000e+00]
 [ 1.60448320e-10 -1.77937685e-10  0.00000000e+00]
 [ 1.60448320e-10  1.77937685e-10  0.00000000e+00]
 [-1.60448320e-10 -1.77937685e-10 -3.11816604e-32]
 [-1.60448320e-10  1.77937685e-10  1.16931227e-32]
 [ 1.60448320e-10 -1.77937685e-10 -1.55908302e-32]
 [ 1.60448320e-10  1.77937685e-10  1.55908302e-32]
 [-1.60448320e-10 -1.77937685e-10 -1.26675495e-32]
 [-1.01369592e-10  1.07784903e-11 -3.21560873e-32]
 [ 1.01369592e-10 -1.07784903e-11  0.00000000e+00]
 [ 1.01369592e-10  1.07784903e-11 -3.89770755e-33]
 [-1.01369592e-10 -1.07784903e-11  3.11816604e-32]
 [-1.01369592e-10  1.07784903e-11  3.11816604e-32]
 [ 1.01369592e-10 -1.07784903e-11  0.00000000e+00]
 [ 1.01369592e-10  1.07784903e-11 -1.55908302e-32]
 [-1.01369592e-10 -1.07784903e-11 -3.11816604e-32]]
stress =  [ 8.89109600e-12 -2.02429120e-11  2.06744416e-11  0.00000000e+00
  0.00000000e+00  3.31649410e-47]
energy per atom =  -0.42598198616758953
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0