element(s):
['C', 'Nb']
AFLOW prototype label:
AB_cF8_216_a_c
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.8303']
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.  ]
 [0.25 0.25 0.25]]
spacegroup =  216
cell =  [[4.8303, 0, 0], [0, 4.8303, 0], [0, 0, 4.8303]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 19:02:58     -130.830343       106.897704
BFGS:    1 19:02:58     -145.762304        92.451497
BFGS:    2 19:02:58     -158.638886        79.467686
BFGS:    3 19:02:58     -169.668598        67.804097
BFGS:    4 19:02:58     -179.039698        57.332594
BFGS:    5 19:02:58     -186.922185        47.937651
BFGS:    6 19:02:59     -193.477597        39.572730
BFGS:    7 19:02:59     -198.837080        32.026110
BFGS:    8 19:02:59     -203.125095        25.273068
BFGS:    9 19:02:59     -206.454834        19.236963
BFGS:   10 19:02:59     -208.928558        13.848565
BFGS:   11 19:02:59     -210.638652         9.045323
BFGS:   12 19:02:59     -211.668577         4.770695
BFGS:   13 19:02:59     -212.095503         1.035965
BFGS:   14 19:02:59     -212.119281         0.117098
BFGS:   15 19:02:59     -212.119578         0.004989
BFGS:   16 19:02:59     -212.119579         0.000010
BFGS:   17 19:02:59     -212.119579         0.000000
Minimization converged after 17 steps.
Maximum force component: 1.2459593480235733e-29 eV/Angstrom
Maximum stress component: 5.433079283039636e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'Nb', 'Nb', 'Nb', 'Nb']
basis =  [[7.65640613e-34 7.70371978e-34 7.70371978e-34]
 [7.67647173e-34 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 7.36189310e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 1.03066503e-33]
 [2.50000000e-01 2.50000000e-01 2.50000000e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]]
cellpar =  Cell([[5.232159493668708, 1.4401392877639436e-33, 2.002552643899747e-35], [-5.85261257775617e-35, 5.232159493668708, 3.529367636275234e-18], [-1.2487429548517907e-34, 3.529367636275233e-18, 5.232159493668708]])
forces =  [[ 1.71976920e-31  1.71976920e-31  1.16007506e-49]
 [ 8.59884599e-32  8.59884599e-32  8.59884599e-32]
 [ 8.59884599e-32  1.71976920e-31  1.16007506e-49]
 [-4.10451874e-66  1.16007506e-49  1.71976920e-31]
 [ 6.87907679e-31 -8.42686907e-30 -4.42840568e-30]
 [ 2.23569996e-30  1.24595935e-29 -4.59500833e-30]
 [ 1.28982690e-30 -8.08291523e-30  6.36314603e-30]
 [ 2.57965380e-30  1.04046036e-29  6.01919219e-30]]
stress =  [-5.43307928e-11 -5.43307928e-11 -5.43307928e-11 -1.54271077e-27
 -2.40135982e-33 -1.78143244e-50]
energy per atom =  -26.51494736538582
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0