element(s):
['C', 'Nb']
AFLOW prototype label:
A3B4_cP7_221_d_ac
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.4694']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'Nb', 'Nb']
representative atom coordinates =  [[0.5 0.  0. ]
 [0.  0.  0. ]
 [0.  0.5 0.5]]
spacegroup =  221
cell =  [[4.4694, 0, 0], [0, 4.4694, 0], [0, 0, 4.4694]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 01:31:41     -278.987834       46.2647
BFGS:    1 01:31:41     -284.977260       33.8723
BFGS:    2 01:31:41     -289.228038       23.0509
BFGS:    3 01:31:41     -291.962033       13.6204
BFGS:    4 01:31:41     -293.387681        5.6243
BFGS:    5 01:31:41     -293.706835        0.5116
BFGS:    6 01:31:41     -293.709678        0.0279
BFGS:    7 01:31:41     -293.709687        0.0002
BFGS:    8 01:31:41     -293.709687        0.0000
BFGS:    9 01:31:41     -293.709687        0.0000
Minimization converged after 9 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.821320468511324e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'Nb', 'Nb', 'Nb', 'Nb']
basis =  [[5.00000000e-01 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 0.00000000e+00]
 [0.00000000e+00 0.00000000e+00 5.00000000e-01]
 [0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [8.14216776e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 1.30216845e-36]]
cellpar =  Cell([[4.62192971547774, 1.1499443702190094e-32, 8.582799952840409e-33], [-4.753853375425962e-33, 4.62192971547774, -9.705297311028425e-20], [-1.1890308068990739e-32, -9.705297311029e-20, 4.62192971547774]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-2.82132047e-14 -2.82132047e-14 -2.82132047e-14 -5.98023686e-30
  1.53865948e-33  2.62457089e-49]
energy per atom =  -41.95852664616218
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0