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 16:34:51       -7.303964         0.375926
BFGS:    1 16:34:51       -7.309725         0.337704
BFGS:    2 16:34:51       -7.342587         0.370970
BFGS:    3 16:34:51       -7.409929         0.203855
BFGS:    4 16:34:51       -7.403237         0.293355
BFGS:    5 16:34:51       -7.414877         0.001975
BFGS:    6 16:34:51       -7.414877         0.000735
BFGS:    7 16:34:51       -7.414878         0.000001
BFGS:    8 16:34:51       -7.414878         0.000000
Minimization converged after 8 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.296554725568546e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[1.554674149013192, -6.460585655485297e-33, -3.005192000300027e-34], [2.6520983458354675e-33, 1.554674149013192, 5.263225611176496e-18], [2.979389338965856e-33, 5.2632256111764905e-18, 1.554674149013192]])
forces =  [[0. 0. 0.]]
stress =  [ 2.29655473e-10  2.29655473e-10  2.29655473e-10 -6.37536152e-26
 -6.37458209e-34  1.21849485e-49]
energy per atom =  -0.10115230752123416
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0