element(s):
['C']
AFLOW prototype label:
A_cI8_214_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.1243']
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 =  214
cell =  [[4.1243, 0, 0], [0, 4.1243, 0], [0, 0, 4.1243]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:35:43      -57.229301         3.388666
BFGS:    1 16:35:44      -57.695630         2.980332
BFGS:    2 16:35:44      -58.095439         2.329544
BFGS:    3 16:35:44      -58.393021         1.646294
BFGS:    4 16:35:44      -58.594117         1.055682
BFGS:    5 16:35:44      -58.716249         0.593889
BFGS:    6 16:35:44      -58.777915         0.243605
BFGS:    7 16:35:44      -58.792819         0.047544
BFGS:    8 16:35:44      -58.793474         0.004445
BFGS:    9 16:35:44      -58.793480         0.000082
BFGS:   10 16:35:44      -58.793480         0.000000
BFGS:   11 16:35:44      -58.793480         0.000000
Minimization converged after 11 steps.
Maximum force component: 8.835389111106681e-31 eV/Angstrom
Maximum stress component: 4.640130961011137e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.125 0.125 0.125]
 [0.375 0.875 0.625]
 [0.875 0.625 0.375]
 [0.625 0.375 0.875]
 [0.875 0.375 0.125]
 [0.625 0.625 0.625]
 [0.375 0.125 0.875]
 [0.125 0.875 0.375]]
cellpar =  Cell([[4.300871543018629, -6.74071493836958e-33, -6.81099240289423e-35], [-3.840441919443399e-33, 4.300871543018629, -6.163601378888472e-18], [-3.27641391330406e-35, -6.163601378888471e-18, 4.300871543018629]])
forces =  [[ 3.53415564e-32 -3.53415564e-32 -3.53415564e-32]
 [-4.59440234e-31 -3.53415564e-32  2.12049339e-31]
 [ 1.94378560e-31  1.94378560e-31  1.87752019e-31]
 [ 3.18074008e-31  1.76707782e-31  2.65061673e-31]
 [ 3.44580175e-31  7.06831129e-32  2.47390895e-31]
 [ 4.76063342e-65 -5.30123347e-32 -3.53415564e-32]
 [ 1.72290088e-31  2.38555506e-31  8.83538911e-31]
 [ 1.12651211e-31  3.53415564e-31  7.06831129e-32]]
stress =  [-4.64013096e-13 -4.64013096e-13 -4.64013096e-13 -3.28752605e-30
  2.22119283e-34  2.54190224e-52]
energy per atom =  -6.055041105079681
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0