element(s):
['Nb', 'Ni']
AFLOW prototype label:
AB3_cF16_225_a_bc
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.8263']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Nb', 'Ni', 'Ni']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.5  0.5  0.5 ]
 [0.25 0.25 0.25]]
spacegroup =  225
cell =  [[5.8263, 0, 0], [0, 5.8263, 0], [0, 0, 5.8263]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:02:53     -267.449193        48.049236
BFGS:    1 16:02:53     -274.351783        44.029998
BFGS:    2 16:02:53     -280.667906        40.220274
BFGS:    3 16:02:53     -286.428182        36.616912
BFGS:    4 16:02:53     -291.664577        33.239244
BFGS:    5 16:02:53     -296.406540        30.017125
BFGS:    6 16:02:53     -300.678543        26.971579
BFGS:    7 16:02:53     -304.506395        24.093669
BFGS:    8 16:02:53     -307.914600        21.374912
BFGS:    9 16:02:53     -310.932145        18.853855
BFGS:   10 16:02:53     -313.576587        16.428675
BFGS:   11 16:02:53     -315.867557        14.139717
BFGS:   12 16:02:53     -317.824968        11.980091
BFGS:   13 16:02:53     -319.467724         9.943254
BFGS:   14 16:02:53     -320.813773         8.022993
BFGS:   15 16:02:53     -321.880155         6.213408
BFGS:   16 16:02:53     -322.683048         4.508894
BFGS:   17 16:02:53     -323.237810         2.904129
BFGS:   18 16:02:53     -323.559021         1.394057
BFGS:   19 16:02:53     -323.660212         0.079901
BFGS:   20 16:02:53     -323.660558         0.002390
BFGS:   21 16:02:53     -323.660558         0.000004
BFGS:   22 16:02:53     -323.660558         0.000000
Minimization converged after 22 steps.
Maximum force component: 1.1563313854962728e-29 eV/Angstrom
Maximum stress component: 1.6576838180118652e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Nb', 'Nb', 'Nb', 'Nb', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [1.33034314e-48 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 0.00000000e+00]
 [4.43447713e-49 5.00000000e-01 0.00000000e+00]
 [0.00000000e+00 0.00000000e+00 5.00000000e-01]
 [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]
 [2.50000000e-01 2.50000000e-01 7.50000000e-01]
 [7.50000000e-01 7.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 2.50000000e-01]]
cellpar =  Cell([[6.171891262682486, 2.5099436268341605e-32, -8.696216474075278e-33], [-2.76415843489156e-32, 6.171891262682486, 1.789052462211536e-17], [7.921874255639971e-33, 1.789052462211537e-17, 6.171891262682486]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 8.11460621e-31  5.07162888e-31 -7.96245735e-30]
 [-6.33953610e-32  1.72435382e-30 -3.04297733e-30]
 [-4.75465208e-31 -1.01432578e-31  2.13008413e-30]
 [-3.04297733e-31  1.87650269e-30 -2.23151671e-30]
 [ 1.82578640e-30 -1.62292124e-30  1.15633139e-29]
 [ 2.66419005e-30 -1.42005609e-30 -2.02865155e-30]
 [ 2.13008413e-30  5.57879177e-31  2.57702143e-30]
 [ 9.25572271e-31 -1.62292124e-30 -2.72600053e-30]]
stress =  [-1.65768382e-11 -1.65768382e-11 -1.65768382e-11  2.27268940e-28
 -7.98168148e-33  4.05676054e-49]
energy per atom =  -20.22878489491211
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0