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_Dynamo_FarkasCaro_2020_FeNiCrCoAl__MO_820335782779_000
==== 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 17:00:53      -18.011533        1.8959
BFGS:    1 17:00:53      -18.136373        1.6755
BFGS:    2 17:00:53      -18.330109        1.2944
BFGS:    3 17:00:53      -18.477458        0.9404
BFGS:    4 17:00:53      -18.580705        0.6073
BFGS:    5 17:00:53      -18.642179        0.2946
BFGS:    6 17:00:53      -18.664174        0.2383
BFGS:    7 17:00:53      -18.665927        0.1923
BFGS:    8 17:00:53      -18.669517        0.1114
BFGS:    9 17:00:53      -18.670345        0.1081
BFGS:   10 17:00:53      -18.671082        0.0818
BFGS:   11 17:00:53      -18.671634        0.0522
BFGS:   12 17:00:53      -18.671991        0.0365
BFGS:   13 17:00:53      -18.672068        0.0226
BFGS:   14 17:00:53      -18.672085        0.0169
BFGS:   15 17:00:53      -18.672107        0.0147
BFGS:   16 17:00:53      -18.672150        0.0157
BFGS:   17 17:00:53      -18.672197        0.0116
BFGS:   18 17:00:53      -18.672223        0.0043
BFGS:   19 17:00:53      -18.672227        0.0013
BFGS:   20 17:00:53      -18.672228        0.0001
BFGS:   21 17:00:53      -18.672228        0.0000
BFGS:   22 17:00:53      -18.672228        0.0000
BFGS:   23 17:00:53      -18.672228        0.0000
BFGS:   24 17:00:53      -18.672228        0.0000
Minimization converged after 24 steps.
Maximum force component: 1.3331267658799747e-09 eV/Angstrom
Maximum stress component: 1.2919033114283348e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Ni', 'Ni']
basis =  [[0.         0.         0.        ]
 [0.33333333 0.66666667 0.34400828]
 [0.66666667 0.33333333 0.65599172]
 [0.33333333 0.66666667 0.85383019]
 [0.66666667 0.33333333 0.14616981]]
cellpar =  Cell([[4.21501106944996, 1.0975895705240362e-17, -7.513102883839793e-38], [-2.10750553472498, 3.6503066633762815, -1.0409233867937253e-36], [7.48599101274163e-37, -2.6505555424143525e-36, 5.182898440003847]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-1.73180075e-32 -2.99956689e-32  1.33312677e-09]
 [ 5.19540226e-32 -2.99956689e-32 -1.33312677e-09]
 [ 6.92720302e-32 -1.19982676e-31 -4.29231431e-10]
 [-3.46360151e-32 -2.19600909e-46  4.29231431e-10]]
stress =  [ 1.29190331e-11  1.29190331e-11 -4.76946527e-12  1.75770806e-47
  2.33735068e-48 -1.31666091e-28]
energy per atom =  -3.7344455239095047
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0