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 12:18:02     -130.830343       106.897704
BFGS:    1 12:18:02     -145.762304        92.451497
BFGS:    2 12:18:02     -158.638886        79.467686
BFGS:    3 12:18:02     -169.668598        67.804097
BFGS:    4 12:18:02     -179.039698        57.332594
BFGS:    5 12:18:02     -186.922185        47.937651
BFGS:    6 12:18:02     -193.477597        39.572730
BFGS:    7 12:18:02     -198.837080        32.026110
BFGS:    8 12:18:02     -203.125095        25.273068
BFGS:    9 12:18:02     -206.454834        19.236963
BFGS:   10 12:18:02     -208.928558        13.848565
BFGS:   11 12:18:02     -210.638652         9.045323
BFGS:   12 12:18:02     -211.668577         4.770695
BFGS:   13 12:18:02     -212.095503         1.035965
BFGS:   14 12:18:02     -212.119281         0.117098
BFGS:   15 12:18:02     -212.119578         0.004989
BFGS:   16 12:18:02     -212.119579         0.000010
BFGS:   17 12:18:02     -212.119579         0.000000
Minimization converged after 17 steps.
Maximum force component: 3.1385787857692e-29 eV/Angstrom
Maximum stress component: 5.43263315148544e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'Nb', 'Nb', 'Nb', 'Nb']
basis =  [[0.00000000e+00 1.85640654e-50 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [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([[5.232159493668709, 2.7870969738671822e-33, -2.2249507772708655e-33], [-7.164747344086139e-33, 5.232159493668709, 1.8072080534912856e-17], [1.780719866744737e-33, 1.8072080534912856e-17, 5.232159493668709]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 8.59884599e-32  8.59884599e-32  8.59884599e-32]
 [ 2.92654226e-65  2.97007454e-49  8.59884599e-32]
 [ 3.43953840e-31  1.83219320e-64 -1.46264724e-64]
 [-6.87907679e-31  3.02679379e-29  1.04905921e-29]
 [ 1.20813786e-29 -3.12783023e-29 -2.01804167e-30]
 [ 1.97773458e-30  3.06118917e-29  3.78349223e-30]
 [ 7.56698447e-30 -3.13857879e-29 -4.47139991e-30]]
stress =  [-5.43263315e-11 -5.43263315e-11 -5.43263315e-11  3.04118437e-27
 -9.60543927e-33  5.99046514e-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