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:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== 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 10:41:56      -17.340268        29.254227
BFGS:    1 10:41:56      -22.217517        35.680898
BFGS:    2 10:41:56      -27.882693        38.803506
BFGS:    3 10:41:56      -33.199693        28.263154
BFGS:    4 10:41:56      -34.334165        24.726807
BFGS:    5 10:41:56      -34.779352         8.586946
BFGS:    6 10:41:56      -34.873862         1.709143
BFGS:    7 10:41:56      -34.877574         0.192609
BFGS:    8 10:41:56      -34.877615         0.051170
BFGS:    9 10:41:56      -34.877618         0.000099
BFGS:   10 10:41:56      -34.877618         0.000000
BFGS:   11 10:41:56      -34.877618         0.000000
Minimization converged after 11 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 6.947848116383429e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[1.4470041364746213, -5.193554700543801e-33, -7.383615668670806e-33], [-6.861086018300655e-34, 1.4470041364746213, 4.5287434979608264e-17], [2.697919310124593e-33, 4.528743497960825e-17, 1.4470041364746213]])
forces =  [[0. 0. 0.]]
stress =  [6.94784812e-12 6.94784812e-12 6.94784812e-12 9.04898095e-28
 5.39625363e-33 1.46547640e-49]
energy per atom =  -34.87761785414821
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0