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:
MEAM_LAMMPS_KimKimJung_2016_AlTi__MO_618133763375_002
==== 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 13:54:20      -32.126578        0.6902
BFGS:    1 13:54:20      -32.143346        0.6869
BFGS:    2 13:54:20      -32.219884        0.6656
BFGS:    3 13:54:20      -32.284672        0.6390
BFGS:    4 13:54:20      -32.339089        0.6073
BFGS:    5 13:54:20      -32.384286        0.5705
BFGS:    6 13:54:20      -32.421235        0.5288
BFGS:    7 13:54:20      -32.450776        0.4823
BFGS:    8 13:54:20      -32.473651        0.4309
BFGS:    9 13:54:20      -32.490543        0.3743
BFGS:   10 13:54:20      -32.502118        0.3119
BFGS:   11 13:54:20      -32.509116        0.2422
BFGS:   12 13:54:20      -32.512574        0.1638
BFGS:   13 13:54:20      -32.514255        0.1413
BFGS:   14 13:54:20      -32.518409        0.0749
BFGS:   15 13:54:20      -32.520080        0.0214
BFGS:   16 13:54:20      -32.520468        0.0083
BFGS:   17 13:54:20      -32.520482        0.0011
BFGS:   18 13:54:20      -32.520483        0.0000
BFGS:   19 13:54:20      -32.520483        0.0000
BFGS:   20 13:54:20      -32.520483        0.0000
Minimization converged after 20 steps.
Maximum force component: 4.960980168575305e-31 eV/Angstrom
Maximum stress component: 5.359390183218219e-10 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]
 [3.76185743e-36 5.00000000e-01 2.50000000e-01]
 [5.00000000e-01 7.63221806e-33 2.50000000e-01]
 [3.00779617e-36 5.00000000e-01 7.50000000e-01]
 [5.00000000e-01 1.83173233e-32 7.50000000e-01]
 [5.16180583e-68 1.52644361e-32 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 1.53124059e-33]]
cellpar =  Cell([[4.037473626275532, -1.3861097149349913e-35, 2.7284094008682024e-32], [-1.365307879377612e-35, 4.037473626275532, -5.770002401725985e-17], [-4.355352849430685e-32, -1.247340824333163e-16, 8.04965054517098]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 1.07367737e-63  3.07493254e-48 -1.98439207e-31]
 [ 5.36754543e-64  2.48828523e-32 -9.92196034e-32]
 [ 2.48828523e-32  1.24414262e-32  4.96098017e-31]
 [ 1.24414262e-32 -2.48828523e-32  3.34866161e-31]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [2.39309304e-11 2.39309304e-11 5.35939018e-10 2.93730642e-25
 2.37035684e-34 1.31086585e-49]
energy per atom =  -4.065060325983701
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0