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 17:38:35      -28.593765         1.309962
BFGS:    1 17:38:35      -28.668315         1.196676
BFGS:    2 17:38:35      -28.821953         0.752066
BFGS:    3 17:38:35      -28.887383         0.217875
BFGS:    4 17:38:35      -28.888637         0.089504
BFGS:    5 17:38:35      -28.889057         0.097780
BFGS:    6 17:38:35      -28.892130         0.104790
BFGS:    7 17:38:35      -28.892593         0.069978
BFGS:    8 17:38:35      -28.893010         0.064327
BFGS:    9 17:38:35      -28.893604         0.059614
BFGS:   10 17:38:35      -28.894309         0.056678
BFGS:   11 17:38:35      -28.894876         0.040798
BFGS:   12 17:38:35      -28.895000         0.021320
BFGS:   13 17:38:35      -28.895038         0.015650
BFGS:   14 17:38:35      -28.895067         0.014205
BFGS:   15 17:38:35      -28.895089         0.007610
BFGS:   16 17:38:35      -28.895094         0.002230
BFGS:   17 17:38:35      -28.895094         0.000230
BFGS:   18 17:38:35      -28.895094         0.000016
BFGS:   19 17:38:35      -28.895094         0.000001
BFGS:   20 17:38:35      -28.895094         0.000000
BFGS:   21 17:38:35      -28.895094         0.000000
Minimization converged after 21 steps.
Maximum force component: 1.4374714063204817e-09 eV/Angstrom
Maximum stress component: 3.9953094022234373e-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, -1.4703840778795523e-17, 3.000477022247563e-37], [-2.0496705269654156, 3.550133491480574, -9.403561526656394e-37], [2.997078879929883e-36, 1.3602446553599845e-36, 5.053365766195013]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-8.42137993e-33 -3.86902560e-46 -1.43747141e-09]
 [ 8.52543709e-46  3.86932767e-46  1.43747141e-09]
 [ 3.78962097e-32 -7.29312896e-33 -4.96602784e-10]
 [-1.68427599e-32  2.91725158e-32  4.96602784e-10]]
stress =  [-3.99530940e-10 -3.99530940e-10 -1.43152049e-10  2.29020199e-34
  3.96674620e-34  2.72011506e-26]
energy per atom =  -5.77901882394809
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0