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 13:54:20      -31.106262        1.2767
BFGS:    1 13:54:20      -31.130104        1.2504
BFGS:    2 13:54:20      -31.192205        1.1755
BFGS:    3 13:54:20      -31.249620        1.0953
BFGS:    4 13:54:20      -31.302268        1.0090
BFGS:    5 13:54:20      -31.350026        0.9157
BFGS:    6 13:54:20      -31.392723        0.8144
BFGS:    7 13:54:20      -31.430143        0.7042
BFGS:    8 13:54:20      -31.462035        0.5843
BFGS:    9 13:54:20      -31.488132        0.4538
BFGS:   10 13:54:20      -31.508197        0.3125
BFGS:   11 13:54:20      -31.522133        0.3002
BFGS:   12 13:54:20      -31.530316        0.3037
BFGS:   13 13:54:20      -31.534287        0.2847
BFGS:   14 13:54:20      -31.540850        0.2249
BFGS:   15 13:54:20      -31.549756        0.1610
BFGS:   16 13:54:20      -31.554363        0.0760
BFGS:   17 13:54:20      -31.555115        0.0131
BFGS:   18 13:54:20      -31.555147        0.0013
BFGS:   19 13:54:20      -31.555148        0.0001
BFGS:   20 13:54:20      -31.555148        0.0000
BFGS:   21 13:54:20      -31.555148        0.0000
BFGS:   22 13:54:20      -31.555148        0.0000
Minimization converged after 22 steps.
Maximum force component: 2.2298345797713847e-31 eV/Angstrom
Maximum stress component: 5.794827026345626e-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]
 [8.51832103e-35 5.00000000e-01 2.50000000e-01]
 [5.00000000e-01 4.73389854e-33 2.50000000e-01]
 [0.00000000e+00 5.00000000e-01 7.50000000e-01]
 [5.00000000e-01 1.57796618e-32 7.50000000e-01]
 [0.00000000e+00 9.46779707e-33 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[3.9056450677766943, 3.08233652228463e-37, 2.041672288242027e-32], [6.298695887325649e-37, 3.9056450677766943, 2.4792369089810546e-17], [3.521781388099513e-34, 5.329921568084598e-17, 8.040252141388395]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 8.68186142e-66  1.31392711e-48  1.98207518e-31]
 [ 8.68186142e-66  1.31392711e-48  1.98207518e-31]
 [ 6.01759903e-33 -6.01759903e-33 -2.10595488e-31]
 [-9.76612363e-66  6.01759903e-33 -2.22983458e-31]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [-5.79482703e-11 -5.79482703e-11  3.46173354e-11  8.61528948e-27
 -9.81291476e-35  1.15331974e-50]
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