element(s):
['Nb', 'Ni']
AFLOW prototype label:
AB3_cP4_221_a_c
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.6596']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Nb', 'Ni']
representative atom coordinates =  [[0.  0.  0. ]
 [0.  0.5 0.5]]
spacegroup =  221
cell =  [[3.6596, 0, 0], [0, 3.6596, 0], [0, 0, 3.6596]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 12:20:27      -72.781153        44.422603
BFGS:    1 12:20:27      -78.320192        29.991314
BFGS:    2 12:20:27      -81.922264        18.539884
BFGS:    3 12:20:27      -83.992457         9.413706
BFGS:    4 12:20:27      -84.841669         2.199045
BFGS:    5 12:20:27      -84.898884         0.327265
BFGS:    6 12:20:27      -84.900246         0.014263
BFGS:    7 12:20:27      -84.900249         0.000099
BFGS:    8 12:20:27      -84.900249         0.000000
BFGS:    9 12:20:27      -84.900249         0.000000
Minimization converged after 9 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.83268346867365e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Nb', 'Ni', 'Ni', 'Ni']
basis =  [[0.  0.  0. ]
 [0.  0.5 0.5]
 [0.5 0.  0.5]
 [0.5 0.5 0. ]]
cellpar =  Cell([[3.8590728881861667, 2.4350180143106723e-33, -1.1218300966021341e-32], [-9.628418112027045e-33, 3.8590728881861667, -3.535178645104755e-18], [6.981474040099638e-33, -3.535178645104767e-18, 3.8590728881861667]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 3.83268347e-15  3.83268347e-15  3.83268347e-15  1.79940855e-31
 -1.10355310e-33 -2.90299225e-50]
energy per atom =  -21.225062175743343
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0