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 16:27:04      -60.420993         3.911209
BFGS:    1 16:27:04      -60.928226         2.836570
BFGS:    2 16:27:04      -61.270958         1.739419
BFGS:    3 16:27:05      -61.453777         0.714827
BFGS:    4 16:27:05      -61.494079         0.064860
BFGS:    5 16:27:05      -61.494433         0.003128
BFGS:    6 16:27:05      -61.494434         0.000015
BFGS:    7 16:27:05      -61.494434         0.000000
Minimization converged after 7 steps.
Maximum force component: 9.62534303815867e-31 eV/Angstrom
Maximum stress component: 5.960414879640698e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.00000000e+00 1.47738931e-33 0.00000000e+00]
 [1.41234863e-33 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [7.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 2.50000000e-01 2.50000000e-01]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]]
cellpar =  Cell([[3.6569003721476583, 2.669452944673068e-33, -1.1975584097627289e-34], [-2.256205115742524e-33, 3.6569003721476583, 1.0316724881519217e-17], [8.038900269011207e-34, 1.0316724881519218e-17, 3.6569003721476583]])
forces =  [[ 1.80299109e-31  5.14603706e-31  1.50249257e-32]
 [-1.80299109e-31  4.23878173e-50  1.50249257e-32]
 [ 2.35690614e-64 -3.60598217e-31  6.00997029e-32]
 [-1.65274183e-31  3.75623143e-32  9.01495543e-32]
 [ 1.87811571e-31 -6.16021954e-31  1.80299109e-31]
 [-7.51246286e-32  5.27750516e-31 -1.35224331e-31]
 [-3.00498514e-32 -1.65274183e-31  2.55423737e-31]
 [-1.50249257e-32  9.62534304e-31  4.50747772e-32]]
stress =  [-5.96041488e-10 -5.96041488e-10 -5.96041488e-10 -1.20374866e-25
 -5.03255007e-59 -5.35164791e-59]
energy per atom =  -6.392660432892306
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0