element(s):
['C', 'Nb']
AFLOW prototype label:
AB_cP2_221_a_b
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.806']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'Nb']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  221
cell =  [[2.806, 0, 0], [0, 2.806, 0], [0, 0, 2.806]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 14:46:29      -58.587284       86.3133
BFGS:    1 14:46:29      -67.704552       38.7725
BFGS:    2 14:46:29      -70.803501       13.3868
BFGS:    3 14:46:29      -71.331812        3.3388
BFGS:    4 14:46:29      -71.371933        0.4384
BFGS:    5 14:46:29      -71.372671        0.0175
BFGS:    6 14:46:29      -71.372672        0.0001
BFGS:    7 14:46:29      -71.372672        0.0000
BFGS:    8 14:46:29      -71.372672        0.0000
Minimization converged after 8 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.7987835210247352e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'Nb']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.9751350300909616, -1.4733786828556642e-32, 2.1675060876878987e-32], [-3.437611625462305e-32, 2.9751350300909616, -4.637465182080815e-19], [8.066737225147017e-33, -4.637465182080837e-19, 2.9751350300909616]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 1.79878352e-15  1.79878352e-15  1.79878352e-15  1.94257617e-31
 -1.85671751e-33 -2.10265100e-49]
energy per atom =  -35.68633601113542
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0