element(s):
['C']
AFLOW prototype label:
A_cP1_221_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['1.774']
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 =  221
cell =  [[1.774, 0, 0], [0, 1.774, 0], [0, 0, 1.774]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 10:42:03       -6.409131         2.839696
BFGS:    1 10:42:03       -6.484112         2.536927
BFGS:    2 10:42:03       -6.532224         0.706067
BFGS:    3 10:42:03       -6.537273         0.090787
BFGS:    4 10:42:03       -6.537352         0.005399
BFGS:    5 10:42:03       -6.537352         0.000036
BFGS:    6 10:42:03       -6.537352         0.000000
BFGS:    7 10:42:03       -6.537352         0.000000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.2854923443290334e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[1.8204324170602602, 7.311035453948521e-34, 1.4488144068076442e-34], [1.1109618131274368e-33, 1.8204324170602602, -3.355396113328327e-19], [-5.230955086076745e-34, -3.3553961133283337e-19, 1.8204324170602602]])
forces =  [[0. 0. 0.]]
stress =  [ 2.28549234e-14  2.28549234e-14  2.28549234e-14 -3.72361456e-30
  3.09948895e-34 -2.48878959e-50]
energy per atom =  -5.243207962535743
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0