element(s):
['C', 'Nb']
AFLOW prototype label:
AB2_hP3_164_a_d
Parameter names:
['a', 'c/a', 'z2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.1521', '1.5912566', '0.25048069']
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.        ]
 [0.33333333 0.66666667 0.74951931]]
spacegroup =  164
cell =  [[3.1521, 0, 0], [-1.57605, 2.7297986752689, 0], [0, 0, 5.0158]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 13:33:48     -116.963112        66.693799
BFGS:    1 13:33:49     -124.775395        34.402359
BFGS:    2 13:33:49     -126.201434        20.167213
BFGS:    3 13:33:50     -127.124258        10.508705
BFGS:    4 13:33:50     -127.490651         1.523097
BFGS:    5 13:33:51     -127.501038         0.142391
BFGS:    6 13:33:51     -127.501116         0.004324
BFGS:    7 13:33:52     -127.501116         0.000470
BFGS:    8 13:33:52     -127.501116         0.000087
BFGS:    9 13:33:52     -127.501116         0.000003
BFGS:   10 13:33:53     -127.501116         0.000000
BFGS:   11 13:33:53     -127.501116         0.000000
Minimization converged after 11 steps.
Maximum force component: 7.056246808536359e-09 eV/Angstrom
Maximum stress component: 1.4688334942481585e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'Nb', 'Nb']
basis =  [[0.         0.         0.        ]
 [0.33333333 0.66666667 0.74127237]
 [0.66666667 0.33333333 0.25872763]]
cellpar =  Cell([[3.2248083898591346, 1.3084670843526299e-17, 1.1359751055656749e-36], [-1.6124041949295673, 2.7927659879552027, 2.2232112062937424e-36], [-1.510274945375933e-35, -1.8344752597027788e-35, 5.3285059871649905]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-1.99997387e-44 -2.42929448e-44  7.05624681e-09]
 [ 1.99997387e-44  2.42929448e-44 -7.05624681e-09]]
stress =  [ 1.31175820e-10  1.31175820e-10  1.46883349e-10 -8.83505339e-33
 -1.53027614e-32 -3.96894072e-26]
energy per atom =  -42.50037212165879
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0