element(s):
['Al', 'Ni']
AFLOW prototype label:
AB3_tP4_123_a_ce
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.559', '0.98817083']
model name:
EAM_IMD_BrommerGaehler_2006B_AlNiCo__MO_128037485276_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Ni', 'Ni']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0. ]
 [0.  0.5 0.5]]
spacegroup =  123
cell =  [[3.559, 0, 0], [0, 3.559, 0], [0, 0, 3.5169]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 09:17:40      -10.060524       11.4284
BFGS:    1 09:17:40      -11.550145        8.7246
BFGS:    2 09:17:40      -12.657308        6.4787
BFGS:    3 09:17:40      -13.448303        4.5682
BFGS:    4 09:17:40      -13.975574        2.9604
BFGS:    5 09:17:40      -14.280466        1.6292
BFGS:    6 09:17:40      -14.410248        0.6733
BFGS:    7 09:17:40      -14.437952        0.6395
BFGS:    8 09:17:40      -14.483039        1.3392
BFGS:    9 09:17:40      -14.568780        1.4728
BFGS:   10 09:17:40      -14.642387        1.3046
BFGS:   11 09:17:40      -14.720261        1.6967
BFGS:   12 09:17:40      -14.803691        2.1487
BFGS:   13 09:17:40      -14.889796        2.5862
BFGS:   14 09:17:40      -14.977022        3.0176
BFGS:   15 09:17:40      -15.063822        3.4441
BFGS:   16 09:17:40      -15.149211        3.8536
BFGS:   17 09:17:40      -15.233658        4.2364
BFGS:   18 09:17:40      -15.320645        4.5925
BFGS:   19 09:17:40      -15.403509        4.9365
BFGS:   20 09:17:40      -15.524416        5.1916
BFGS:   21 09:17:40      -15.715478        5.3004
BFGS:   22 09:17:40      -15.978893        5.2502
BFGS:   23 09:17:40      -16.256289        5.4549
BFGS:   24 09:17:40      -16.532726        5.3969
BFGS:   25 09:17:40      -16.799767        5.1130
BFGS:   26 09:17:40      -17.056106        4.6022
BFGS:   27 09:17:40      -17.297327        3.8176
BFGS:   28 09:17:40      -17.512897        2.7021
BFGS:   29 09:17:40      -17.667697        1.1916
BFGS:   30 09:17:40      -17.699576        0.3911
BFGS:   31 09:17:40      -17.704312        0.0773
BFGS:   32 09:17:40      -17.705007        0.0386
BFGS:   33 09:17:40      -17.705146        0.0091
BFGS:   34 09:17:40      -17.705149        0.0011
BFGS:   35 09:17:40      -17.705149        0.0000
BFGS:   36 09:17:40      -17.705149        0.0000
BFGS:   37 09:17:40      -17.705149        0.0000
Minimization converged after 37 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.231486901377472e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Ni', 'Ni', 'Ni']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 4.90483260e-33]
 [8.49341201e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]]
cellpar =  Cell([[4.418202779409408, 2.135302059732507e-35, 3.77897710466206e-32], [-1.5768718101667899e-34, 4.418202779409408, -2.683380694131143e-17], [-1.0434398306410909e-32, -3.890157786195696e-17, 3.141277349936222]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-3.20120567e-10 -3.20120567e-10 -4.23148690e-10  4.35701486e-26
 -8.88113624e-34  2.10310354e-49]
energy per atom =  -1.726293502023712
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0