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_2019v3_C__MO_714772088128_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 17:35:48     -119.259913        1.0131
BFGS:    1 17:35:49     -119.324631        0.9941
BFGS:    2 17:35:49     -119.514134        0.9248
BFGS:    3 17:35:49     -119.654262        0.8455
BFGS:    4 17:35:50     -119.752268        0.7559
BFGS:    5 17:35:50     -119.829386        0.6656
BFGS:    6 17:35:50     -119.905597        0.5983
BFGS:    7 17:35:51     -119.984534        0.5546
BFGS:    8 17:35:51     -120.065059        0.5704
BFGS:    9 17:35:52     -120.145024        0.5592
BFGS:   10 17:35:52     -120.221879        0.5255
BFGS:   11 17:35:53     -120.292983        0.4730
BFGS:   12 17:35:53     -120.355811        0.4045
BFGS:   13 17:35:54     -120.408014        0.3225
BFGS:   14 17:35:54     -120.447795        0.2297
BFGS:   15 17:35:55     -120.473607        0.1308
BFGS:   16 17:35:55     -120.483298        0.0402
BFGS:   17 17:35:56     -120.483867        0.0193
BFGS:   18 17:35:56     -120.484151        0.0101
BFGS:   19 17:35:57     -120.484279        0.0031
BFGS:   20 17:35:57     -120.484296        0.0011
BFGS:   21 17:35:58     -120.484297        0.0001
BFGS:   22 17:35:58     -120.484297        0.0000
BFGS:   23 17:35:59     -120.484297        0.0000
BFGS:   24 17:35:59     -120.484297        0.0000
Minimization converged after 24 steps.
Maximum force component: 1.1372436428691996e-09 eV/Angstrom
Maximum stress component: 1.3247771022921317e-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 =  [[0.15732602 0.15732602 0.15732602]
 [0.34267398 0.84267398 0.65732602]
 [0.84267398 0.65732602 0.34267398]
 [0.65732602 0.34267398 0.84267398]
 [0.65732602 0.65732602 0.65732602]
 [0.84267398 0.34267398 0.15732602]
 [0.34267398 0.15732602 0.84267398]
 [0.15732602 0.84267398 0.34267398]
 [0.84267398 0.84267398 0.84267398]
 [0.65732602 0.15732602 0.34267398]
 [0.15732602 0.34267398 0.65732602]
 [0.34267398 0.65732602 0.15732602]
 [0.34267398 0.34267398 0.34267398]
 [0.15732602 0.65732602 0.84267398]
 [0.65732602 0.84267398 0.15732602]
 [0.84267398 0.15732602 0.65732602]]
cellpar =  Cell([[4.267433857800573, 2.5086261622584667e-37, 0.0], [-2.4320790242268162e-37, 4.267433857800573, 0.0], [0.0, 0.0, 4.267433857800573]])
forces =  [[-1.13724364e-09 -1.13724364e-09 -1.13724364e-09]
 [ 1.13724364e-09  1.13724364e-09 -1.13724364e-09]
 [ 1.13724364e-09 -1.13724364e-09  1.13724364e-09]
 [-1.13724364e-09  1.13724364e-09  1.13724364e-09]
 [-1.13724364e-09 -1.13724364e-09 -1.13724364e-09]
 [ 1.13724364e-09  1.13724364e-09 -1.13724364e-09]
 [ 1.13724364e-09 -1.13724364e-09  1.13724364e-09]
 [-1.13724364e-09  1.13724364e-09  1.13724364e-09]
 [ 1.13724364e-09  1.13724364e-09  1.13724364e-09]
 [-1.13724364e-09 -1.13724364e-09  1.13724364e-09]
 [-1.13724364e-09  1.13724364e-09 -1.13724364e-09]
 [ 1.13724364e-09 -1.13724364e-09 -1.13724364e-09]
 [ 1.13724364e-09  1.13724364e-09  1.13724364e-09]
 [-1.13724364e-09 -1.13724364e-09  1.13724364e-09]
 [-1.13724364e-09  1.13724364e-09 -1.13724364e-09]
 [ 1.13724364e-09 -1.13724364e-09 -1.13724364e-09]]
stress =  [1.32477710e-10 1.32477710e-10 1.32477710e-10 0.00000000e+00
 0.00000000e+00 7.92459977e-64]
energy per atom =  -0.21654326705491034
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0