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_MishinMehlPapaconstantopoulos_2002_NiAl__MO_109933561507_005
==== 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 16:35:35      -20.909419         0.687824
BFGS:    1 16:35:35      -20.922923         0.503966
BFGS:    2 16:35:35      -20.938705         0.166485
BFGS:    3 16:35:35      -20.939414         0.154485
BFGS:    4 16:35:35      -20.942373         0.051612
BFGS:    5 16:35:35      -20.942678         0.040256
BFGS:    6 16:35:35      -20.942797         0.040064
BFGS:    7 16:35:35      -20.942902         0.035092
BFGS:    8 16:35:35      -20.943089         0.030587
BFGS:    9 16:35:35      -20.943223         0.024029
BFGS:   10 16:35:35      -20.943272         0.012021
BFGS:   11 16:35:35      -20.943281         0.007320
BFGS:   12 16:35:35      -20.943285         0.007230
BFGS:   13 16:35:35      -20.943292         0.006793
BFGS:   14 16:35:35      -20.943297         0.004485
BFGS:   15 16:35:35      -20.943299         0.001256
BFGS:   16 16:35:35      -20.943299         0.000172
BFGS:   17 16:35:35      -20.943299         0.000012
BFGS:   18 16:35:35      -20.943299         0.000001
BFGS:   19 16:35:35      -20.943299         0.000000
BFGS:   20 16:35:35      -20.943299         0.000000
Minimization converged after 20 steps.
Maximum force component: 5.396825319536196e-10 eV/Angstrom
Maximum stress component: 1.8667253947117668e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Ni', 'Ni']
basis =  [[0.         0.         0.        ]
 [0.33333333 0.66666667 0.34178505]
 [0.66666667 0.33333333 0.65821495]
 [0.33333333 0.66666667 0.85183955]
 [0.66666667 0.33333333 0.14816045]]
cellpar =  Cell([[4.015333563791685, -7.62864246360077e-19, -1.0380190207117508e-38], [-2.0076667818958427, 3.477380870911902, -9.893068104472875e-39], [2.4406533107361656e-38, 4.014949439390877e-37, 4.939181248337514]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-1.67349021e-48 -2.75294264e-47 -3.38666349e-10]
 [-1.23732018e-32  7.14367141e-33  3.38666349e-10]
 [ 2.66679413e-48  4.38695802e-47  5.39682532e-10]
 [-2.66679413e-48 -4.38695802e-47 -5.39682532e-10]]
stress =  [ 1.86672539e-11  1.86672539e-11  2.17507227e-13 -2.39216968e-34
 -8.97988325e-50  3.73554386e-27]
energy per atom =  -4.188659832713416
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0