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_AlmyrasSangiovanniSarakinos_2019_NAlTi__MO_958395190627_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 14:08:37      -31.106262         1.276722
BFGS:    1 14:08:37      -31.130104         1.250400
BFGS:    2 14:08:37      -31.192205         1.175466
BFGS:    3 14:08:37      -31.249620         1.095266
BFGS:    4 14:08:37      -31.302268         1.008971
BFGS:    5 14:08:37      -31.350026         0.915669
BFGS:    6 14:08:38      -31.392723         0.814403
BFGS:    7 14:08:38      -31.430143         0.704224
BFGS:    8 14:08:38      -31.462035         0.584259
BFGS:    9 14:08:38      -31.488132         0.453815
BFGS:   10 14:08:38      -31.508197         0.312520
BFGS:   11 14:08:38      -31.522133         0.300215
BFGS:   12 14:08:39      -31.530316         0.303678
BFGS:   13 14:08:39      -31.534287         0.284710
BFGS:   14 14:08:39      -31.540850         0.224917
BFGS:   15 14:08:39      -31.549756         0.161032
BFGS:   16 14:08:39      -31.554363         0.076049
BFGS:   17 14:08:39      -31.555115         0.013069
BFGS:   18 14:08:39      -31.555147         0.001311
BFGS:   19 14:08:40      -31.555148         0.000101
BFGS:   20 14:08:40      -31.555148         0.000006
BFGS:   21 14:08:40      -31.555148         0.000000
BFGS:   22 14:08:40      -31.555148         0.000000
Minimization converged after 22 steps.
Maximum force component: 6.193984943809404e-31 eV/Angstrom
Maximum stress component: 5.794871676411955e-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]
 [8.49921925e-35 5.00000000e-01 2.50000000e-01]
 [5.00000000e-01 6.11461894e-33 2.50000000e-01]
 [0.00000000e+00 5.00000000e-01 7.50000000e-01]
 [5.00000000e-01 1.97245772e-32 7.50000000e-01]
 [0.00000000e+00 1.22292379e-32 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[3.9056450677766934, -9.806130276079354e-37, 8.500154757367607e-32], [-6.803700468481608e-37, 3.9056450677766934, -1.2575780616423889e-17], [3.416226326279177e-33, -2.554984469286028e-17, 8.040252141388397]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 2.10541203e-64 -1.57463075e-48  4.95518796e-31]
 [-4.21082405e-65  3.14926150e-49 -9.91037591e-32]
 [-2.63176503e-64  1.96828844e-48 -6.19398494e-31]
 [ 2.10541203e-65 -1.57463075e-49  4.95518796e-32]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [-5.79487168e-11 -5.79487168e-11  3.46173462e-11  9.43230238e-27
 -5.88774886e-34 -2.72964697e-49]
energy per atom =  -3.9443934455284997
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0