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 15:28:09      -31.106262         1.276722
BFGS:    1 15:28:09      -31.130104         1.250400
BFGS:    2 15:28:09      -31.192205         1.175466
BFGS:    3 15:28:09      -31.249620         1.095266
BFGS:    4 15:28:09      -31.302268         1.008971
BFGS:    5 15:28:09      -31.350026         0.915669
BFGS:    6 15:28:09      -31.392723         0.814403
BFGS:    7 15:28:09      -31.430143         0.704224
BFGS:    8 15:28:09      -31.462035         0.584259
BFGS:    9 15:28:09      -31.488132         0.453815
BFGS:   10 15:28:09      -31.508197         0.312520
BFGS:   11 15:28:09      -31.522133         0.300215
BFGS:   12 15:28:09      -31.530316         0.303678
BFGS:   13 15:28:09      -31.534287         0.284710
BFGS:   14 15:28:09      -31.540850         0.224917
BFGS:   15 15:28:09      -31.549756         0.161032
BFGS:   16 15:28:09      -31.554363         0.076049
BFGS:   17 15:28:09      -31.555115         0.013069
BFGS:   18 15:28:09      -31.555147         0.001311
BFGS:   19 15:28:09      -31.555148         0.000101
BFGS:   20 15:28:09      -31.555148         0.000006
BFGS:   21 15:28:09      -31.555148         0.000000
BFGS:   22 15:28:09      -31.555148         0.000000
Minimization converged after 22 steps.
Maximum force component: 1.2883488683123568e-30 eV/Angstrom
Maximum stress component: 5.7948053575982784e-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 5.91737317e-33 2.50000000e-01]
 [7.71083152e-34 5.00000000e-01 7.50000000e-01]
 [5.00000000e-01 1.97245772e-32 7.50000000e-01]
 [0.00000000e+00 1.18347463e-32 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 9.58144053e-35]]
cellpar =  Cell([[3.905645067776695, 3.82653217742796e-36, -6.921286483388663e-32], [3.73414426141984e-36, 3.9056450677766943, 9.13583923759914e-18], [-1.9502128037079518e-32, 2.1867205576691486e-17, 8.040252141388402]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-3.12497549e-63 -6.01759903e-33  1.28834887e-30]
 [ 6.01759903e-33  6.01759903e-33  2.97311277e-31]
 [-2.40381712e-63  6.01759903e-33  9.91037591e-31]
 [-6.01759903e-33 -6.01759903e-33  4.08803006e-31]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [-5.79480536e-11 -5.79480536e-11  3.46186642e-11  6.70095010e-27
 -4.96414335e-43 -6.47151829e-60]
energy per atom =  -3.9443934455284975
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0