element(s):
['C']
AFLOW prototype label:
A_tI8_139_h
Parameter names:
['a', 'c/a', 'x1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.3798', '0.57333668', '0.81976373']
model name:
DUNN_WenTadmor_2019v3_C__MO_714772088128_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.81976373 0.81976373 0.        ]]
spacegroup =  139
cell =  [[4.3798, 0, 0], [0, 4.3798, 0], [0, 0, 2.5111]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:27:56      -63.315706         1.438366
BFGS:    1 16:27:56      -63.534205         1.097958
BFGS:    2 16:27:56      -63.634254         0.751796
BFGS:    3 16:27:57      -63.673865         0.523962
BFGS:    4 16:27:57      -63.711244         0.288468
BFGS:    5 16:27:57      -63.724184         0.122267
BFGS:    6 16:27:57      -63.725857         0.072660
BFGS:    7 16:27:57      -63.726021         0.057674
BFGS:    8 16:27:57      -63.726123         0.044185
BFGS:    9 16:27:58      -63.726323         0.027948
BFGS:   10 16:27:58      -63.726579         0.025087
BFGS:   11 16:27:58      -63.726755         0.014111
BFGS:   12 16:27:58      -63.726800         0.005353
BFGS:   13 16:27:58      -63.726803         0.000775
BFGS:   14 16:27:59      -63.726804         0.000027
BFGS:   15 16:27:59      -63.726804         0.000002
BFGS:   16 16:27:59      -63.726804         0.000000
BFGS:   17 16:27:59      -63.726804         0.000000
Minimization converged after 17 steps.
Maximum force component: 1.1717522647872482e-09 eV/Angstrom
Maximum stress component: 2.2267150873697575e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[8.14317876e-01 8.14317876e-01 9.33503620e-34]
 [1.85682124e-01 1.85682124e-01 0.00000000e+00]
 [1.85682124e-01 8.14317876e-01 9.33503620e-34]
 [8.14317876e-01 1.85682124e-01 1.55583937e-34]
 [3.14317876e-01 3.14317876e-01 5.00000000e-01]
 [6.85682124e-01 6.85682124e-01 5.00000000e-01]
 [6.85682124e-01 3.14317876e-01 5.00000000e-01]
 [3.14317876e-01 6.85682124e-01 5.00000000e-01]]
cellpar =  Cell([[4.301108034554382, 1.7586552958699897e-35, 6.948488269318807e-35], [6.978685176474596e-36, 4.30110803455438, 5.801157191462669e-18], [2.2392597496877346e-33, 3.3085166991545883e-18, 2.47574394406752]])
forces =  [[-1.17175226e-09 -1.17175226e-09 -1.58041115e-27]
 [ 1.17175226e-09  1.17175226e-09  1.58035011e-27]
 [ 1.17175226e-09 -1.17175226e-09 -1.58044166e-27]
 [-1.17175226e-09  1.17175226e-09  1.58044929e-27]
 [-1.17175226e-09 -1.17175226e-09 -1.58041115e-27]
 [ 1.17175226e-09  1.17175226e-09  1.58044166e-27]
 [ 1.17175226e-09 -1.17175226e-09 -1.58047218e-27]
 [-1.17175226e-09  1.17175226e-09  1.58042640e-27]]
stress =  [-2.02396305e-10 -2.02396305e-10 -2.22671509e-10  8.11774269e-26
  2.31507134e-33 -3.27238968e-49]
energy per atom =  -0.6521251679130993
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0