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_2019v2_C__MO_956135237832_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 10:41:50       -7.442406         0.279878
BFGS:    1 10:41:51       -7.445320         0.206590
BFGS:    2 10:41:51       -7.449110         0.024004
BFGS:    3 10:41:51       -7.449170         0.002707
BFGS:    4 10:41:51       -7.449170         0.000033
BFGS:    5 10:41:51       -7.449170         0.000000
BFGS:    6 10:41:51       -7.449170         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.0797358545744235e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[1.8040536540806587, -3.426299647519913e-33, 5.634243701754234e-33], [6.849228289595301e-33, 1.8040536540806587, -1.0445137402159596e-19], [5.420065511879277e-33, -1.0445137402158114e-19, 1.8040536540806587]])
forces =  [[0. 0. 0.]]
stress =  [-1.07973585e-13 -1.07973585e-13 -1.07973585e-13 -1.36829572e-29
 -3.15602412e-34 -1.93263178e-50]
energy per atom =  -0.08661181229711001
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0