element(s):
['C']
AFLOW prototype label:
A_cF16_227_c
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.8232']
model name:
hNN_WenTadmor_2019Grx_C__MO_421038499185_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.125 0.125 0.125]]
spacegroup =  227
cell =  [[4.8232, 0, 0], [0, 4.8232, 0], [0, 0, 4.8232]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:07:29      -95.430695         3.761904
BFGS:    1 16:07:29      -95.965596         3.365147
BFGS:    2 16:07:29      -96.438695         2.937475
BFGS:    3 16:07:30      -96.845147         2.475939
BFGS:    4 16:07:30      -97.179583         1.976479
BFGS:    5 16:07:31      -97.435934         1.433854
BFGS:    6 16:07:31      -97.607272         0.841864
BFGS:    7 16:07:32      -97.685694         0.193907
BFGS:    8 16:07:32      -97.689803         0.011613
BFGS:    9 16:07:33      -97.689818         0.000104
BFGS:   10 16:07:33      -97.689818         0.000000
BFGS:   11 16:07:34      -97.689818         0.000000
Minimization converged after 11 steps.
Maximum force component: 1.820390404324341e-30 eV/Angstrom
Maximum stress component: 2.5316470876531303e-15 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 =  [[0.125 0.125 0.125]
 [0.875 0.375 0.625]
 [0.375 0.625 0.875]
 [0.625 0.875 0.375]
 [0.375 0.875 0.625]
 [0.875 0.625 0.375]
 [0.625 0.375 0.875]
 [0.125 0.625 0.625]
 [0.875 0.875 0.125]
 [0.375 0.125 0.375]
 [0.375 0.375 0.125]
 [0.875 0.125 0.875]
 [0.625 0.125 0.625]
 [0.125 0.875 0.875]
 [0.125 0.375 0.375]
 [0.625 0.625 0.125]]
cellpar =  Cell([[4.7134345300931955, -2.6605521554671006e-35, -7.36051189697846e-33], [1.8292389307602305e-33, 4.7134345300931955, -4.3946851337161464e-18], [-3.8818963473557274e-33, -4.3946851337161526e-18, 4.7134345300931955]])
forces =  [[ 5.76134197e-31  3.87317107e-31  1.82039040e-30]
 [ 1.08448790e-30  7.74634215e-31  3.09853686e-31]
 [ 3.09853686e-31 -1.74900465e-66 -4.83868340e-64]
 [-8.71463491e-32  8.52097636e-31  5.22878095e-31]
 [ 2.55189689e-64  2.88899608e-49 -3.09853686e-31]
 [ 3.87317107e-32  1.54926843e-31 -1.00702448e-30]
 [-3.46755054e-64 -1.74292698e-31  3.38902469e-31]
 [ 1.54926843e-31 -3.09853686e-31  1.23941474e-30]
 [ 1.83975626e-31 -5.42243950e-31 -3.09853686e-31]
 [ 1.83975626e-31 -1.54926843e-31  2.32390264e-31]
 [ 8.52097636e-31  3.09853686e-31  3.09853686e-31]
 [-7.74634215e-32  7.74634215e-32 -1.54926843e-31]
 [ 1.74292698e-31 -2.90487830e-31  1.78165869e-30]
 [-6.19707372e-31  1.44449804e-49 -1.54926843e-31]
 [ 6.97170793e-31 -3.19536614e-31  1.06512205e-31]
 [ 1.54926843e-31  3.09853686e-31  1.54926843e-30]]
stress =  [ 2.53164709e-15  2.53164709e-15  2.53164709e-15  6.25070057e-31
  7.61493898e-64 -1.69652271e-64]
energy per atom =  -4.81146977502538
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0