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 10:29:54      -77.691035       139.339076
BFGS:    1 10:29:55      -95.854380       104.087424
BFGS:    2 10:29:55     -109.259671        75.659983
BFGS:    3 10:29:55     -118.825612        52.716687
BFGS:    4 10:29:55     -125.300088        34.287866
BFGS:    5 10:29:55     -129.311414        19.653989
BFGS:    6 10:29:55     -131.344942         7.912013
BFGS:    7 10:29:55     -131.809956         1.450282
BFGS:    8 10:29:55     -131.827789         0.129961
BFGS:    9 10:29:55     -131.827937         0.002585
BFGS:   10 10:29:55     -131.827937         0.000005
BFGS:   11 10:29:55     -131.827937         0.000000
Minimization converged after 11 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 8.796683564991622e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Nb', 'Nb', 'Nb', 'Ni']
basis =  [[0.  0.5 0.5]
 [0.5 0.  0.5]
 [0.5 0.5 0. ]
 [0.  0.  0. ]]
cellpar =  Cell([[4.407468120928765, 1.6611758946692073e-32, -1.5659329897272233e-32], [8.636770910906956e-33, 4.407468120928765, 3.358350975804128e-19], [-4.541180431842649e-33, 3.3583509758039885e-19, 4.407468120928765]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-8.79668356e-12 -8.79668356e-12 -8.79668356e-12 -2.04349313e-28
  8.46020403e-34  2.41475404e-52]
energy per atom =  -32.956984281608975
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0