element(s):
['Al', 'Ti']
AFLOW prototype label:
A3B_tI8_139_ad_b
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:
['3.8731', '2.2419509']
model name:
EAM_Dynamo_ZhouJohnsonWadley_2004_CuAgAuNiPdPtAlPbFeMoTaWMgCoTiZr__MO_870117231765_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Al', 'Ti']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.   0.5  0.25]
 [0.   0.   0.5 ]]
spacegroup =  139
cell =  [[3.8731, 0, 0], [0, 3.8731, 0], [0, 0, 8.6833]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:55:46      -30.470110         0.636734
BFGS:    1 15:55:46      -30.481770         0.612162
BFGS:    2 15:55:46      -30.537371         0.475246
BFGS:    3 15:55:46      -30.578535         0.340294
BFGS:    4 15:55:46      -30.607329         0.235820
BFGS:    5 15:55:46      -30.625130         0.129529
BFGS:    6 15:55:46      -30.632071         0.132475
BFGS:    7 15:55:46      -30.632467         0.139978
BFGS:    8 15:55:47      -30.633325         0.148900
BFGS:    9 15:55:47      -30.635575         0.160166
BFGS:   10 15:55:47      -30.640098         0.166688
BFGS:   11 15:55:47      -30.644633         0.163664
BFGS:   12 15:55:47      -30.649280         0.155322
BFGS:   13 15:55:47      -30.653881         0.142910
BFGS:   14 15:55:47      -30.658246         0.126514
BFGS:   15 15:55:47      -30.662191         0.105552
BFGS:   16 15:55:48      -30.665522         0.078857
BFGS:   17 15:55:48      -30.668006         0.045080
BFGS:   18 15:55:48      -30.669234         0.016719
BFGS:   19 15:55:48      -30.669471         0.009091
BFGS:   20 15:55:48      -30.669582         0.000377
BFGS:   21 15:55:48      -30.669582         0.000005
BFGS:   22 15:55:48      -30.669582         0.000000
BFGS:   23 15:55:48      -30.669582         0.000000
Minimization converged after 23 steps.
Maximum force component: 1.4614515049348965e-31 eV/Angstrom
Maximum stress component: 6.244348635596875e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Ti', 'Ti']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [0.00000000e+00 5.00000000e-01 2.50000000e-01]
 [5.00000000e-01 6.81411620e-33 2.50000000e-01]
 [2.29107725e-33 5.00000000e-01 7.50000000e-01]
 [5.00000000e-01 1.21139844e-32 7.50000000e-01]
 [3.16858590e-69 1.05997363e-32 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 7.47195707e-34]]
cellpar =  Cell([[4.069990937686045, -1.0444123428673543e-36, 3.647179169615589e-32], [-1.2166449703960546e-36, 4.069990937686044, -3.9565052006868157e-17], [1.4485793348138122e-32, -8.294354263019453e-17, 8.248141367363543]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-6.27081394e-33  2.55589524e-49 -2.54165479e-32]
 [ 1.33913391e-64 -7.66768572e-49  7.62496437e-32]
 [-3.13540697e-33  2.93944403e-34  1.46145150e-31]
 [-7.05466568e-33  3.13540697e-33 -5.71872328e-32]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [-4.07574981e-11 -4.07574981e-11 -6.24434864e-11  1.18260780e-26
 -1.26215772e-34  1.47575406e-50]
energy per atom =  -3.8336977125450407
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0