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:
hNN_WenTadmor_2019Grx_C__MO_421038499185_001
==== 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 17:27:30      -60.420993        3.9112
BFGS:    1 17:27:30      -60.928226        2.8366
BFGS:    2 17:27:30      -61.270958        1.7394
BFGS:    3 17:27:30      -61.453777        0.7148
BFGS:    4 17:27:30      -61.494079        0.0649
BFGS:    5 17:27:30      -61.494433        0.0031
BFGS:    6 17:27:30      -61.494434        0.0000
BFGS:    7 17:27:30      -61.494434        0.0000
Minimization converged after 7 steps.
Maximum force component: 5.70947177287851e-31 eV/Angstrom
Maximum stress component: 5.960255009681311e-10 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([[3.65690037214766, -4.147857977266375e-34, 5.990866657211608e-35], [3.359530920007112e-33, 3.65690037214766, 7.262769516113012e-18], [-3.6129988794299876e-34, 7.262769516113014e-18, 3.65690037214766]])
forces =  [[ 3.18059090e-64  3.90648069e-31  4.13185457e-31]
 [ 5.10847474e-31  5.10847474e-31  7.51246286e-33]
 [ 1.54005489e-31  3.53085754e-31  2.36642580e-31]
 [ 1.50249257e-31  1.50249257e-31  2.40692267e-31]
 [-1.20199406e-31  1.50249257e-31 -1.50249257e-31]
 [ 9.01495543e-32 -3.98160532e-31 -9.01495543e-32]
 [ 1.50249257e-31 -5.70947177e-31  9.01495543e-32]
 [ 2.10348960e-31  2.14105191e-31 -3.00498514e-32]]
stress =  [-5.96025501e-10 -5.96025501e-10 -5.96025501e-10 -6.50042658e-27
  2.28852730e-60  4.31876142e-59]
energy per atom =  -6.392660432892318
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0