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:
EMT_Asap_Standard_JacobsenStoltzeNorskov_1996_AlAgAuCuNiPdPt__MO_115316750986_001
==== 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 17:38:32      -15.170279         2.561330
BFGS:    1 17:38:32      -15.411687         2.331413
BFGS:    2 17:38:32      -15.696897         2.034870
BFGS:    3 17:38:32      -15.939981         1.754787
BFGS:    4 17:38:32      -16.146140         1.489604
BFGS:    5 17:38:32      -16.318707         1.238338
BFGS:    6 17:38:32      -16.460043         0.999247
BFGS:    7 17:38:32      -16.571729         0.768071
BFGS:    8 17:38:32      -16.654435         0.535719
BFGS:    9 17:38:32      -16.708264         0.290981
BFGS:   10 17:38:32      -16.734330         0.109935
BFGS:   11 17:38:32      -16.737791         0.052880
BFGS:   12 17:38:32      -16.738075         0.066052
BFGS:   13 17:38:32      -16.738432         0.073639
BFGS:   14 17:38:32      -16.738873         0.070074
BFGS:   15 17:38:32      -16.739267         0.051442
BFGS:   16 17:38:32      -16.739514         0.047798
BFGS:   17 17:38:33      -16.739707         0.043234
BFGS:   18 17:38:33      -16.739926         0.026693
BFGS:   19 17:38:33      -16.740062         0.010866
BFGS:   20 17:38:33      -16.740098         0.012397
BFGS:   21 17:38:33      -16.740106         0.010122
BFGS:   22 17:38:33      -16.740116         0.007389
BFGS:   23 17:38:33      -16.740134         0.008466
BFGS:   24 17:38:33      -16.740153         0.006548
BFGS:   25 17:38:33      -16.740164         0.002523
BFGS:   26 17:38:33      -16.740166         0.000710
BFGS:   27 17:38:33      -16.740166         0.000066
BFGS:   28 17:38:33      -16.740166         0.000004
BFGS:   29 17:38:33      -16.740166         0.000000
BFGS:   30 17:38:33      -16.740166         0.000000
Minimization converged after 30 steps.
Maximum force component: 5.05789992917907e-09 eV/Angstrom
Maximum stress component: 1.9619263909978833e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Ni', 'Ni']
basis =  [[0.         0.         0.        ]
 [0.33333333 0.66666667 0.37530681]
 [0.66666667 0.33333333 0.62469319]
 [0.33333333 0.66666667 0.8759929 ]
 [0.66666667 0.33333333 0.1240071 ]]
cellpar =  Cell([[4.37936001124491, -1.1552265904943957e-17, 1.8530040217266765e-36], [-2.189680005622455, 3.792637022055797, -6.920028820879863e-37], [2.630254019139907e-36, -2.745592562766425e-36, 5.3575245440366555]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-8.99662996e-33  2.59206644e-45 -5.05789993e-09]
 [ 1.79932599e-32 -3.11652404e-32  5.05789993e-09]
 [-1.43946079e-31  1.24660961e-31  4.47180183e-09]
 [ 2.51905639e-31 -6.23304807e-32 -4.47180183e-09]]
stress =  [-1.05538781e-10 -1.05538781e-10  1.96192639e-10  4.04411737e-34
 -3.75160594e-46 -3.10351373e-26]
energy per atom =  -3.3480331243472508
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0