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 15:34:25     -119.259913         1.013075
BFGS:    1 15:34:26     -119.324631         0.994114
BFGS:    2 15:34:26     -119.514134         0.924763
BFGS:    3 15:34:27     -119.654262         0.845484
BFGS:    4 15:34:27     -119.752268         0.755943
BFGS:    5 15:34:27     -119.829386         0.665591
BFGS:    6 15:34:28     -119.905597         0.598314
BFGS:    7 15:34:28     -119.984534         0.554619
BFGS:    8 15:34:29     -120.065059         0.570419
BFGS:    9 15:34:29     -120.145024         0.559224
BFGS:   10 15:34:29     -120.221879         0.525516
BFGS:   11 15:34:30     -120.292983         0.472951
BFGS:   12 15:34:30     -120.355811         0.404495
BFGS:   13 15:34:31     -120.408014         0.322467
BFGS:   14 15:34:31     -120.447795         0.229672
BFGS:   15 15:34:31     -120.473607         0.130846
BFGS:   16 15:34:32     -120.483298         0.040230
BFGS:   17 15:34:33     -120.483867         0.019305
BFGS:   18 15:34:33     -120.484151         0.010067
BFGS:   19 15:34:34     -120.484279         0.003088
BFGS:   20 15:34:34     -120.484296         0.001084
BFGS:   21 15:34:35     -120.484297         0.000134
BFGS:   22 15:34:35     -120.484297         0.000004
BFGS:   23 15:34:36     -120.484297         0.000000
BFGS:   24 15:34:36     -120.484297         0.000000
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, -1.8037627528898242e-37, 0.0], [-6.120075565986971e-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 -1.40590993e-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