element(s):
['C']
AFLOW prototype label:
A_cF8_227_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.5727']
model name:
DUNN_WenTadmor_2019v3_C__MO_714772088128_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0 0 0]]
spacegroup =  227
cell =  [[3.5727, 0, 0], [0, 3.5727, 0], [0, 0, 3.5727]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:25:47      -63.980582        0.3667
BFGS:    1 17:25:47      -63.985977        0.3202
BFGS:    2 17:25:47      -64.004179        0.0217
BFGS:    3 17:25:47      -64.004269        0.0011
BFGS:    4 17:25:47      -64.004269        0.0000
BFGS:    5 17:25:48      -64.004269        0.0000
Minimization converged after 5 steps.
Maximum force component: 1.5692953598072928e-31 eV/Angstrom
Maximum stress component: 9.556429724755861e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.   0.   0.  ]
 [0.   0.5  0.5 ]
 [0.5  0.5  0.  ]
 [0.5  0.   0.5 ]
 [0.75 0.25 0.75]
 [0.25 0.25 0.25]
 [0.25 0.75 0.75]
 [0.75 0.75 0.25]]
cellpar =  Cell([[3.5530148401921604, -4.32355794888559e-34, 3.2386008484934994e-35], [1.1273217063812107e-36, 3.5530148401921604, -3.5930653196876806e-19], [-3.194791208788876e-35, -3.5930653196876767e-19, 3.5530148401921604]])
forces =  [[ 6.75161957e-32 -6.88847672e-32 -4.37942891e-32]
 [ 3.64952409e-32 -4.37942891e-32  5.47428614e-32]
 [-2.55466686e-32  5.10933373e-32  7.29904819e-33]
 [ 7.29904819e-33  5.83923855e-32  7.66400059e-32]
 [-7.29904819e-33 -1.56929536e-31  4.47066701e-32]
 [-1.82476205e-32 -7.98333395e-33  9.48876264e-32]
 [-2.18971446e-32  1.22259057e-31  3.46704789e-32]
 [ 8.02895300e-32 -1.33207629e-31  7.66400059e-32]]
stress =  [ 9.55642972e-11  9.55642972e-11  9.55642972e-11  7.79166879e-30
 -1.62732826e-34 -2.10518247e-54]
energy per atom =  -0.6868083498888771
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0