element(s):
['Ni', 'Zr']
AFLOW prototype label:
AB2_tI12_140_a_h
Parameter names:
['a', 'c/a', 'x2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.4903', '0.80911514', '0.83663524']
model name:
EAM_Dynamo_MendelevKramerHao_2012_NiZr__MO_149104665840_005
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ni', 'Zr']
representative atom coordinates =  [[0.         0.         0.25      ]
 [0.83663524 0.33663524 0.        ]]
spacegroup =  140
cell =  [[6.4903, 0, 0], [0, 6.4903, 0], [0, 0, 5.2514]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 14:33:44      -73.542574         0.507721
BFGS:    1 14:33:44      -73.570063         0.434249
BFGS:    2 14:33:44      -73.648227         0.048693
BFGS:    3 14:33:44      -73.648756         0.053192
BFGS:    4 14:33:44      -73.648916         0.052860
BFGS:    5 14:33:45      -73.649563         0.055071
BFGS:    6 14:33:45      -73.650513         0.059415
BFGS:    7 14:33:45      -73.651695         0.063264
BFGS:    8 14:33:45      -73.652380         0.061221
BFGS:    9 14:33:45      -73.652628         0.054413
BFGS:   10 14:33:45      -73.652737         0.046775
BFGS:   11 14:33:45      -73.652898         0.031356
BFGS:   12 14:33:45      -73.653060         0.011410
BFGS:   13 14:33:45      -73.653137         0.004834
BFGS:   14 14:33:45      -73.653149         0.001232
BFGS:   15 14:33:46      -73.653150         0.000230
BFGS:   16 14:33:46      -73.653150         0.000013
BFGS:   17 14:33:46      -73.653150         0.000000
BFGS:   18 14:33:46      -73.653150         0.000000
BFGS:   19 14:33:46      -73.653150         0.000000
Minimization converged after 19 steps.
Maximum force component: 1.7902830903658552e-09 eV/Angstrom
Maximum stress component: 1.4861993911578173e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ni', 'Ni', 'Ni', 'Ni', 'Zr', 'Zr', 'Zr', 'Zr', 'Zr', 'Zr', 'Zr', 'Zr']
basis =  [[1.32050666e-34 0.00000000e+00 2.50000000e-01]
 [5.00000000e-01 5.00000000e-01 7.50000000e-01]
 [0.00000000e+00 0.00000000e+00 7.50000000e-01]
 [5.00000000e-01 5.00000000e-01 2.50000000e-01]
 [8.30430372e-01 3.30430372e-01 2.01337965e-33]
 [1.69569628e-01 6.69569628e-01 1.09323782e-34]
 [6.69569628e-01 8.30430372e-01 5.46618909e-35]
 [3.30430372e-01 1.69569628e-01 0.00000000e+00]
 [1.69569628e-01 3.30430372e-01 5.00000000e-01]
 [8.30430372e-01 6.69569628e-01 5.00000000e-01]
 [3.30430372e-01 8.30430372e-01 5.00000000e-01]
 [6.69569628e-01 1.69569628e-01 5.00000000e-01]]
cellpar =  Cell([[6.468050688137698, -4.595283620618737e-37, -2.575360142353649e-32], [-1.8977462049030304e-36, 6.468050688137697, 4.024758603655586e-19], [7.637470881357147e-33, 3.693183345647646e-19, 5.28502558077173]])
forces =  [[-2.98968300e-32 -1.99312200e-32 -1.62857424e-32]
 [-3.98624400e-32 -1.99312200e-32 -2.44286137e-32]
 [ 9.96561000e-33  3.98624400e-32 -7.12501232e-33]
 [-2.20813945e-65  5.97936600e-32 -1.52678835e-32]
 [-1.79028309e-09 -1.79028309e-09 -1.11417040e-28]
 [ 1.79028309e-09  1.79028309e-09  1.11400755e-28]
 [ 1.79028309e-09 -1.79028309e-09 -1.11400755e-28]
 [-1.79028309e-09  1.79028309e-09  1.11417040e-28]
 [ 1.79028309e-09 -1.79028309e-09 -1.11400755e-28]
 [-1.79028309e-09  1.79028309e-09  1.11417040e-28]
 [-1.79028309e-09 -1.79028309e-09 -1.11417040e-28]
 [ 1.79028309e-09  1.79028309e-09  1.11403808e-28]]
stress =  [-1.48619939e-10 -1.48619939e-10 -3.24742752e-11  8.04636569e-27
 -1.80289301e-34  3.66100846e-51]
energy per atom =  -6.137762486597812
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0