element(s):
['C']
AFLOW prototype label:
A_cI16_206_c
Parameter names:
['a', 'x1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.4773', '0.15607601']
model name:
DUNN_WenTadmor_2019v1_C__MO_584345505904_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.15607601 0.15607601 0.15607601]]
spacegroup =  206
cell =  [[4.4773, 0, 0], [0, 4.4773, 0], [0, 0, 4.4773]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:48:44     -118.972959         0.155464
BFGS:    1 15:48:45     -118.977018         0.152615
BFGS:    2 15:48:45     -119.037603         0.097234
BFGS:    3 15:48:46     -119.053652         0.074333
BFGS:    4 15:48:46     -119.056941         0.066429
BFGS:    5 15:48:46     -119.057777         0.063383
BFGS:    6 15:48:47     -119.058259         0.062110
BFGS:    7 15:48:47     -119.059181         0.061349
BFGS:    8 15:48:47     -119.061500         0.062424
BFGS:    9 15:48:48     -119.065366         0.067199
BFGS:   10 15:48:48     -119.069744         0.073005
BFGS:   11 15:48:49     -119.075183         0.078402
BFGS:   12 15:48:49     -119.081711         0.081998
BFGS:   13 15:48:49     -119.088801         0.080374
BFGS:   14 15:48:50     -119.095440         0.073093
BFGS:   15 15:48:51     -119.101193         0.062079
BFGS:   16 15:48:52     -119.105799         0.050151
BFGS:   17 15:48:52     -119.109458         0.041630
BFGS:   18 15:48:53     -119.112773         0.039788
BFGS:   19 15:48:53     -119.116454         0.045066
BFGS:   20 15:48:54     -119.121734         0.055551
BFGS:   21 15:48:54     -119.129095         0.064886
BFGS:   22 15:48:55     -119.137536         0.062996
BFGS:   23 15:48:55     -119.144477         0.044222
BFGS:   24 15:48:56     -119.149630         0.012869
BFGS:   25 15:48:56     -119.154108         0.025447
BFGS:   26 15:48:57     -119.158074         0.054204
BFGS:   27 15:48:57     -119.161176         0.088018
BFGS:   28 15:48:58     -119.165206         0.104490
BFGS:   29 15:48:59     -119.180797         0.153789
BFGS:   30 15:48:59     -119.203934         0.145753
BFGS:   31 15:49:00     -119.221299         0.090384
BFGS:   32 15:49:00     -119.231140         0.036075
BFGS:   33 15:49:01     -119.233476         0.010362
BFGS:   34 15:49:01     -119.233781         0.003267
BFGS:   35 15:49:02     -119.233819         0.000614
BFGS:   36 15:49:02     -119.233820         0.000053
BFGS:   37 15:49:03     -119.233820         0.000001
BFGS:   38 15:49:04     -119.233820         0.000000
Minimization converged after 38 steps.
Maximum force component: 2.503622328992877e-10 eV/Angstrom
Maximum stress component: 3.6839566135616023e-10 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 =  [[0.1022617 0.1022617 0.1022617]
 [0.3977383 0.8977383 0.6022617]
 [0.8977383 0.6022617 0.3977383]
 [0.6022617 0.3977383 0.8977383]
 [0.6022617 0.6022617 0.6022617]
 [0.8977383 0.3977383 0.1022617]
 [0.3977383 0.1022617 0.8977383]
 [0.1022617 0.8977383 0.3977383]
 [0.8977383 0.8977383 0.8977383]
 [0.6022617 0.1022617 0.3977383]
 [0.1022617 0.3977383 0.6022617]
 [0.3977383 0.6022617 0.1022617]
 [0.3977383 0.3977383 0.3977383]
 [0.1022617 0.6022617 0.8977383]
 [0.6022617 0.8977383 0.1022617]
 [0.8977383 0.1022617 0.6022617]]
cellpar =  Cell([[4.203221794534059, 2.841886129798641e-38, 0.0], [-2.7620073014302037e-37, 4.203221794534059, 0.0], [0.0, 0.0, 4.203221794534059]])
forces =  [[ 2.50362233e-10  2.50362233e-10  2.50362233e-10]
 [-2.50362233e-10 -2.50362233e-10  2.50362233e-10]
 [-2.50362233e-10  2.50362233e-10 -2.50362233e-10]
 [ 2.50362233e-10 -2.50362233e-10 -2.50362233e-10]
 [ 2.50362233e-10  2.50362233e-10  2.50362233e-10]
 [-2.50362233e-10 -2.50362233e-10  2.50362233e-10]
 [-2.50362233e-10  2.50362233e-10 -2.50362233e-10]
 [ 2.50362233e-10 -2.50362233e-10 -2.50362233e-10]
 [-2.50362233e-10 -2.50362233e-10 -2.50362233e-10]
 [ 2.50362233e-10  2.50362233e-10 -2.50362233e-10]
 [ 2.50362233e-10 -2.50362233e-10  2.50362233e-10]
 [-2.50362233e-10  2.50362233e-10  2.50362233e-10]
 [-2.50362233e-10 -2.50362233e-10 -2.50362233e-10]
 [ 2.50362233e-10  2.50362233e-10 -2.50362233e-10]
 [ 2.50362233e-10 -2.50362233e-10  2.50362233e-10]
 [-2.50362233e-10  2.50362233e-10  2.50362233e-10]]
stress =  [-3.68395661e-10 -3.68395661e-10 -3.68395661e-10  0.00000000e+00
  0.00000000e+00 -4.65119541e-34]
energy per atom =  -0.0577632359469753
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0