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 16:35:05      -57.229301         3.388666
BFGS:    1 16:35:05      -57.695630         2.980332
BFGS:    2 16:35:05      -58.095439         2.329544
BFGS:    3 16:35:05      -58.393021         1.646294
BFGS:    4 16:35:05      -58.594117         1.055682
BFGS:    5 16:35:05      -58.716249         0.593889
BFGS:    6 16:35:05      -58.777915         0.243605
BFGS:    7 16:35:05      -58.792819         0.047544
BFGS:    8 16:35:05      -58.793474         0.004445
BFGS:    9 16:35:05      -58.793480         0.000082
BFGS:   10 16:35:05      -58.793480         0.000000
BFGS:   11 16:35:05      -58.793480         0.000000
Minimization converged after 11 steps.
Maximum force component: 5.124525684441876e-31 eV/Angstrom
Maximum stress component: 4.638863786484365e-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([[4.30087154301863, 1.9465212062335025e-33, 1.1140325458246945e-32], [2.8535752169854563e-33, 4.30087154301863, -3.02372587701801e-17], [-3.6232890768452995e-33, -3.023725877018006e-17, 4.30087154301863]])
forces =  [[ 3.53415564e-31 -9.71892802e-32 -1.23695448e-31]
 [-7.06831129e-32  4.32934066e-31  3.53415564e-32]
 [-7.06831129e-32  5.30123347e-32 -3.53415564e-32]
 [-1.67872393e-31 -8.83538911e-32 -1.37500743e-31]
 [ 4.59440234e-31  4.94781790e-31  7.06831129e-32]
 [ 3.53415564e-31  2.29720117e-31  2.12049339e-31]
 [-4.24098677e-31  6.18477238e-32  7.06831129e-32]
 [-1.41366226e-31  8.83538911e-32  5.12452568e-31]]
stress =  [-4.63886379e-13 -4.63886379e-13 -4.63886379e-13  5.99688899e-29
 -2.66543139e-33  5.42030447e-49]
energy per atom =  -6.055041105079677
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0