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_2006B_AlNiCo__MO_128037485276_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 18:10:17      -25.056189        0.7208
BFGS:    1 18:10:17      -25.072453        0.6068
BFGS:    2 18:10:17      -25.120457        0.3213
BFGS:    3 18:10:17      -25.127233        0.2922
BFGS:    4 18:10:17      -25.130967        0.2151
BFGS:    5 18:10:17      -25.135076        0.0830
BFGS:    6 18:10:17      -25.135579        0.0378
BFGS:    7 18:10:17      -25.135647        0.0362
BFGS:    8 18:10:17      -25.135686        0.0302
BFGS:    9 18:10:17      -25.135734        0.0166
BFGS:   10 18:10:17      -25.135756        0.0066
BFGS:   11 18:10:17      -25.135761        0.0048
BFGS:   12 18:10:17      -25.135762        0.0048
BFGS:   13 18:10:17      -25.135764        0.0040
BFGS:   14 18:10:17      -25.135767        0.0029
BFGS:   15 18:10:17      -25.135768        0.0019
BFGS:   16 18:10:17      -25.135768        0.0005
BFGS:   17 18:10:17      -25.135769        0.0000
BFGS:   18 18:10:17      -25.135769        0.0000
BFGS:   19 18:10:17      -25.135769        0.0000
BFGS:   20 18:10:17      -25.135769        0.0000
Minimization converged after 20 steps.
Maximum force component: 5.628330433777544e-09 eV/Angstrom
Maximum stress component: 1.24565933705617e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Ni', 'Ni']
basis =  [[0.         0.         0.        ]
 [0.33333333 0.66666667 0.33447489]
 [0.66666667 0.33333333 0.66552511]
 [0.33333333 0.66666667 0.83812248]
 [0.66666667 0.33333333 0.16187752]]
cellpar =  Cell([[4.0025807996221205, 1.6750666866719948e-18, 2.593242564884508e-37], [-2.0012903998110603, 3.466336653172587, -9.767806211602298e-39], [-3.921356960214203e-37, -3.2026412508461153e-37, 4.857701750330924]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 2.30232881e-31 -1.13935728e-31 -5.62833043e-09]
 [-2.30232881e-31  1.13935728e-31  5.62833043e-09]
 [ 6.57808232e-32  1.89073349e-47 -2.86365093e-10]
 [-6.57808232e-32 -1.89073349e-47  2.86365093e-10]]
stress =  [ 6.75696774e-11  6.75696774e-11  1.24565934e-10 -1.95203502e-33
 -6.76204768e-33  5.93185260e-27]
energy per atom =  -3.6539349129854783
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0