element(s):
['Al', 'Ti']
AFLOW prototype label:
A2B_tI24_141_2e_e
Parameter names:
['a', 'c/a', 'z1', 'z2', 'z3']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.0175', '6.0773367', '0.12488557', '0.2888066', '0.95334467']
model name:
MEAM_LAMMPS_KimKimJung_2017_NiAlTi__MO_478967255435_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Al', 'Ti']
representative atom coordinates =  [[0.         0.         0.24988557]
 [0.         0.         0.4138066 ]
 [0.         0.         0.07834467]]
spacegroup =  141
cell =  [[4.0175, 0, 0], [0, 4.0175, 0], [0, 0, 24.4157]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:08:19     -100.716740         1.051109
BFGS:    1 16:08:19     -100.838105         0.861957
BFGS:    2 16:08:19     -101.087653         0.269445
BFGS:    3 16:08:19     -101.132639         0.219816
BFGS:    4 16:08:19     -101.139764         0.198421
BFGS:    5 16:08:19     -101.161391         0.111621
BFGS:    6 16:08:20     -101.168108         0.099304
BFGS:    7 16:08:20     -101.169788         0.099927
BFGS:    8 16:08:20     -101.170186         0.097903
BFGS:    9 16:08:20     -101.171054         0.093283
BFGS:   10 16:08:20     -101.172765         0.085250
BFGS:   11 16:08:20     -101.175903         0.074654
BFGS:   12 16:08:20     -101.179617         0.063452
BFGS:   13 16:08:20     -101.182259         0.075056
BFGS:   14 16:08:20     -101.183601         0.068175
BFGS:   15 16:08:20     -101.184709         0.052324
BFGS:   16 16:08:20     -101.186130         0.044182
BFGS:   17 16:08:20     -101.187289         0.031416
BFGS:   18 16:08:20     -101.187717         0.020776
BFGS:   19 16:08:20     -101.187788         0.018231
BFGS:   20 16:08:20     -101.187810         0.017349
BFGS:   21 16:08:20     -101.187855         0.015153
BFGS:   22 16:08:20     -101.187934         0.010615
BFGS:   23 16:08:20     -101.188027         0.007683
BFGS:   24 16:08:20     -101.188078         0.003443
BFGS:   25 16:08:21     -101.188088         0.000687
BFGS:   26 16:08:21     -101.188089         0.000102
BFGS:   27 16:08:21     -101.188089         0.000005
BFGS:   28 16:08:21     -101.188089         0.000000
BFGS:   29 16:08:21     -101.188089         0.000000
Minimization converged after 29 steps.
Maximum force component: 3.804815702844293e-09 eV/Angstrom
Maximum stress component: 1.4251321735185208e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti']
basis =  [[0.00000000e+00 4.57104075e-33 2.49327175e-01]
 [5.00000000e-01 5.00000000e-01 7.49327175e-01]
 [0.00000000e+00 5.00000000e-01 4.99327175e-01]
 [5.00000000e-01 1.21894420e-32 9.99327175e-01]
 [5.00000000e-01 3.04736050e-33 5.00672825e-01]
 [0.00000000e+00 5.00000000e-01 6.72824944e-04]
 [5.00000000e-01 5.00000000e-01 2.50672825e-01]
 [0.00000000e+00 1.21894420e-32 7.50672825e-01]
 [7.21968514e-33 1.52368025e-32 4.16481448e-01]
 [5.00000000e-01 5.00000000e-01 9.16481448e-01]
 [8.96673933e-34 5.00000000e-01 6.66481448e-01]
 [5.00000000e-01 0.00000000e+00 1.66481448e-01]
 [5.00000000e-01 1.67604828e-32 3.33518552e-01]
 [5.02266843e-33 5.00000000e-01 8.33518552e-01]
 [5.00000000e-01 5.00000000e-01 8.35185519e-02]
 [0.00000000e+00 6.09472100e-33 5.83518552e-01]
 [0.00000000e+00 0.00000000e+00 8.23351787e-02]
 [5.00000000e-01 5.00000000e-01 5.82335179e-01]
 [2.73112459e-33 5.00000000e-01 3.32335179e-01]
 [5.00000000e-01 0.00000000e+00 8.32335179e-01]
 [5.00000000e-01 0.00000000e+00 6.67664821e-01]
 [2.03823236e-34 5.00000000e-01 1.67664821e-01]
 [5.00000000e-01 5.00000000e-01 4.17664821e-01]
 [0.00000000e+00 3.04736050e-32 9.17664821e-01]]
cellpar =  Cell([[4.044796025088122, 3.0745975473437263e-37, -3.509853345196554e-38], [-1.5717585492590336e-37, 4.044796025088122, 2.4968354652203087e-17], [4.5019897178522825e-37, 1.5113438192384906e-16, 24.17498632774414]])
forces =  [[ 5.41176637e-47  1.81676356e-26  2.90603458e-09]
 [ 5.41176637e-47  1.81676169e-26  2.90603458e-09]
 [-3.11599751e-33  1.81676099e-26  2.90603458e-09]
 [ 5.41176637e-47  1.81676107e-26  2.90603458e-09]
 [ 6.23199503e-33 -1.81676263e-26 -2.90603458e-09]
 [ 3.11599751e-33 -1.81676107e-26 -2.90603458e-09]
 [ 6.23199503e-33 -1.81676138e-26 -2.90603458e-09]
 [ 2.02539838e-32 -1.81676107e-26 -2.90603458e-09]
 [-2.96993513e-33  4.33473792e-27  6.93371712e-10]
 [-3.11599751e-33  4.33473480e-27  6.93371712e-10]
 [ 6.23199503e-33  4.33474103e-27  6.93371712e-10]
 [ 6.23199503e-33  4.33474726e-27  6.93371712e-10]
 [ 3.11599751e-33 -4.33473636e-27 -6.93371712e-10]
 [ 6.23199503e-33 -4.33474103e-27 -6.93371712e-10]
 [ 3.11599751e-33 -4.33473714e-27 -6.93371712e-10]
 [-3.89499689e-33 -4.33474415e-27 -6.93371712e-10]
 [-7.78999378e-33 -2.37865314e-26 -3.80481570e-09]
 [-2.33699814e-32 -2.37865190e-26 -3.80481570e-09]
 [-7.08552259e-47 -2.37864785e-26 -3.80481570e-09]
 [-3.11599751e-33 -2.37865221e-26 -3.80481570e-09]
 [ 1.55799876e-33  2.37864940e-26  3.80481570e-09]
 [ 6.23199503e-33  2.37865190e-26  3.80481570e-09]
 [ 7.08552259e-47  2.37864816e-26  3.80481570e-09]
 [ 7.08552259e-47  2.37865003e-26  3.80481570e-09]]
stress =  [1.42513217e-10 1.42513217e-10 1.10469845e-10 1.59781510e-25
 6.30271401e-35 8.36445094e-50]
energy per atom =  -4.216170369995668
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0