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:
DUNN_WenTadmor_2019v3_C__MO_714772088128_000
==== 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 14:13:16       -7.303964        0.3759
BFGS:    1 14:13:16       -7.309725        0.3377
BFGS:    2 14:13:16       -7.342587        0.3710
BFGS:    3 14:13:16       -7.409929        0.2039
BFGS:    4 14:13:16       -7.403237        0.2934
BFGS:    5 14:13:16       -7.414877        0.0020
BFGS:    6 14:13:16       -7.414877        0.0007
BFGS:    7 14:13:16       -7.414878        0.0000
BFGS:    8 14:13:16       -7.414878        0.0000
Minimization converged after 8 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.2961890735838104e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[1.554674149013155, -5.677405469581513e-33, -3.415638242268838e-34], [5.4588197635891506e-33, 1.554674149013155, 5.2808690558951276e-18], [-9.790769843512227e-34, 5.280869055895126e-18, 1.554674149013155]])
forces =  [[0. 0. 0.]]
stress =  [ 2.29618907e-10  2.29618907e-10  2.29618907e-10 -2.16248884e-27
 -1.69988856e-33  4.30799201e-50]
energy per atom =  -0.10115230752123061
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0