element(s):
['Nb', 'Ni']
AFLOW prototype label:
A3B_cP4_221_c_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.0603']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Nb', 'Ni']
representative atom coordinates =  [[0.  0.5 0.5]
 [0.  0.  0. ]]
spacegroup =  221
cell =  [[4.0603, 0, 0], [0, 4.0603, 0], [0, 0, 4.0603]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:45:14      -77.691035      139.3391
BFGS:    1 15:45:14      -95.854380      104.0874
BFGS:    2 15:45:14     -109.259671       75.6600
BFGS:    3 15:45:14     -118.825612       52.7167
BFGS:    4 15:45:14     -125.300088       34.2879
BFGS:    5 15:45:14     -129.311414       19.6540
BFGS:    6 15:45:14     -131.344942        7.9120
BFGS:    7 15:45:14     -131.809956        1.4503
BFGS:    8 15:45:14     -131.827789        0.1300
BFGS:    9 15:45:14     -131.827937        0.0026
BFGS:   10 15:45:14     -131.827937        0.0000
BFGS:   11 15:45:14     -131.827937        0.0000
Minimization converged after 11 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 8.796095723354368e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Nb', 'Nb', 'Nb', 'Ni']
basis =  [[0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 3.49575746e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 1.39830298e-33]
 [0.00000000e+00 0.00000000e+00 0.00000000e+00]]
cellpar =  Cell([[4.407468120928765, 2.71087784354377e-32, 2.215328695873606e-33], [2.030381412898794e-32, 4.407468120928765, -2.5712878022046104e-17], [-4.7618448072639905e-34, -2.5712878022046086e-17, 4.407468120928765]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-8.79609572e-12 -8.79609572e-12 -8.79609572e-12 -1.20806116e-29
  6.76816322e-33  4.88383529e-51]
energy per atom =  -32.95698428160899
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0