element(s):
['Nb', 'Ni']
AFLOW prototype label:
A3B_tI8_139_ad_b
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.9697', '2.1501373']
model name:
EAM_Dynamo_ZhangAshcraftMendelev_2016_NiNb__MO_047308317761_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Nb', 'Nb', 'Ni']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.   0.5  0.25]
 [0.   0.   0.5 ]]
spacegroup =  139
cell =  [[3.9697, 0, 0], [0, 3.9697, 0], [0, 0, 8.5354]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:33:48      -51.583113         0.429755
BFGS:    1 16:33:49      -51.589539         0.417950
BFGS:    2 16:33:49      -51.632454         0.295222
BFGS:    3 16:33:49      -51.654030         0.112361
BFGS:    4 16:33:49      -51.655513         0.179144
BFGS:    5 16:33:49      -51.656036         0.171844
BFGS:    6 16:33:49      -51.664584         0.108406
BFGS:    7 16:33:49      -51.672871         0.139626
BFGS:    8 16:33:49      -51.681099         0.164216
BFGS:    9 16:33:49      -51.689145         0.178523
BFGS:   10 16:33:50      -51.696822         0.182514
BFGS:   11 16:33:50      -51.703882         0.174444
BFGS:   12 16:33:50      -51.709974         0.150101
BFGS:   13 16:33:50      -51.714484         0.098409
BFGS:   14 16:33:50      -51.716060         0.055459
BFGS:   15 16:33:50      -51.716471         0.024341
BFGS:   16 16:33:50      -51.716590         0.000326
BFGS:   17 16:33:50      -51.716590         0.000004
BFGS:   18 16:33:51      -51.716590         0.000000
Minimization converged after 18 steps.
Maximum force component: 1.4026617819608573e-31 eV/Angstrom
Maximum stress component: 9.921018282931082e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Nb', 'Nb', 'Nb', 'Nb', 'Nb', 'Nb', 'Ni', 'Ni']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [0.00000000e+00 5.00000000e-01 2.50000000e-01]
 [5.00000000e-01 5.06082806e-35 2.50000000e-01]
 [0.00000000e+00 5.00000000e-01 7.50000000e-01]
 [5.00000000e-01 1.01216561e-33 7.50000000e-01]
 [3.59593461e-49 1.01216561e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 5.35326784e-35]]
cellpar =  Cell([[3.8055628875757135, -4.185573163566971e-37, -8.818816569497281e-34], [1.93671262945125e-37, 3.8055628875757126, 5.602955200457656e-20], [-1.4533854260001857e-32, -3.62234013153524e-18, 8.881751663490515]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 1.75901940e-32 -2.34535921e-32  2.73690104e-32]
 [ 2.63852911e-32  2.34535921e-32  1.09476042e-31]
 [ 3.11493020e-32  2.34535921e-32  3.33559814e-32]
 [ 2.05218931e-32 -2.34535921e-32  1.40266178e-31]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [-9.57261206e-11 -9.57261206e-11  9.92101828e-11  1.60314225e-25
  9.11681064e-35  1.41737294e-49]
energy per atom =  -6.464573743965843
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0