element(s):
['Al', 'Ni']
AFLOW prototype label:
A3B2_hP5_164_ad_d
Parameter names:
['a', 'c/a', 'z2', 'z3']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.0211', '1.2156872', '0.64900192', '0.14827124']
model name:
EAM_IMD_BrommerGaehler_2006A_AlNiCo__MO_122703700223_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Al', 'Ni']
representative atom coordinates =  [[0.         0.         0.        ]
 [0.33333333 0.66666667 0.35099808]
 [0.33333333 0.66666667 0.85172876]]
spacegroup =  164
cell =  [[4.0211, 0, 0], [-2.01055, 3.4823747511576, 0], [0, 0, 4.8884]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 18:10:24      -28.593765        1.3100
BFGS:    1 18:10:24      -28.668315        1.1967
BFGS:    2 18:10:24      -28.821953        0.7521
BFGS:    3 18:10:24      -28.887383        0.2179
BFGS:    4 18:10:24      -28.888637        0.0895
BFGS:    5 18:10:24      -28.889057        0.0978
BFGS:    6 18:10:24      -28.892130        0.1048
BFGS:    7 18:10:24      -28.892593        0.0700
BFGS:    8 18:10:24      -28.893010        0.0643
BFGS:    9 18:10:24      -28.893604        0.0596
BFGS:   10 18:10:24      -28.894309        0.0567
BFGS:   11 18:10:24      -28.894876        0.0408
BFGS:   12 18:10:24      -28.895000        0.0213
BFGS:   13 18:10:24      -28.895038        0.0157
BFGS:   14 18:10:24      -28.895067        0.0142
BFGS:   15 18:10:24      -28.895089        0.0076
BFGS:   16 18:10:24      -28.895094        0.0022
BFGS:   17 18:10:24      -28.895094        0.0002
BFGS:   18 18:10:24      -28.895094        0.0000
BFGS:   19 18:10:24      -28.895094        0.0000
BFGS:   20 18:10:24      -28.895094        0.0000
BFGS:   21 18:10:24      -28.895094        0.0000
Minimization converged after 21 steps.
Maximum force component: 1.4374665730556164e-09 eV/Angstrom
Maximum stress component: 3.9953318051451613e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Ni', 'Ni']
basis =  [[0.         0.         0.        ]
 [0.33333333 0.66666667 0.34708991]
 [0.66666667 0.33333333 0.65291009]
 [0.33333333 0.66666667 0.85713196]
 [0.66666667 0.33333333 0.14286804]]
cellpar =  Cell([[4.099341053930831, -1.3803996016698657e-17, 2.188808039645443e-38], [-2.0496705269654156, 3.550133491480571, 2.543073572863521e-37], [1.8723770861752269e-37, 2.565693036809051e-36, 5.053365766195013]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-3.36855197e-32  2.91725158e-32 -1.43746657e-09]
 [ 1.01056559e-31 -2.91725158e-32  1.43746657e-09]
 [ 7.57924194e-32 -5.83450317e-32 -4.96604509e-10]
 [-7.15817294e-32  5.83450317e-32  4.96604509e-10]]
stress =  [-3.99533181e-10 -3.99533181e-10 -1.43154024e-10  4.58040398e-34
  7.93349241e-34  1.56387670e-25]
energy per atom =  -5.779018823948091
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0