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 16:55:40      -32.126578         0.690187
BFGS:    1 16:55:40      -32.143346         0.686911
BFGS:    2 16:55:40      -32.219884         0.665635
BFGS:    3 16:55:40      -32.284672         0.639022
BFGS:    4 16:55:40      -32.339089         0.607259
BFGS:    5 16:55:40      -32.384286         0.570498
BFGS:    6 16:55:40      -32.421235         0.528847
BFGS:    7 16:55:40      -32.450776         0.482344
BFGS:    8 16:55:40      -32.473651         0.430923
BFGS:    9 16:55:41      -32.490543         0.374323
BFGS:   10 16:55:41      -32.502118         0.311912
BFGS:   11 16:55:41      -32.509116         0.242151
BFGS:   12 16:55:41      -32.512574         0.163828
BFGS:   13 16:55:41      -32.514255         0.141300
BFGS:   14 16:55:41      -32.518409         0.074907
BFGS:   15 16:55:41      -32.520080         0.021388
BFGS:   16 16:55:41      -32.520468         0.008254
BFGS:   17 16:55:41      -32.520482         0.001119
BFGS:   18 16:55:41      -32.520483         0.000034
BFGS:   19 16:55:41      -32.520483         0.000001
BFGS:   20 16:55:41      -32.520483         0.000000
Minimization converged after 20 steps.
Maximum force component: 8.92976430343554e-31 eV/Angstrom
Maximum stress component: 5.359373895031487e-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]
 [0.00000000e+00 5.00000000e-01 2.50000000e-01]
 [5.00000000e-01 3.81610903e-33 2.50000000e-01]
 [1.25285102e-35 5.00000000e-01 7.50000000e-01]
 [5.00000000e-01 9.15866167e-33 7.50000000e-01]
 [0.00000000e+00 7.63221806e-33 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[4.037473626275531, 1.5151088048929027e-36, -1.025681710026506e-32], [1.0217874726657272e-36, 4.03747362627553, -2.632803289621961e-17], [-7.662806134570122e-33, -5.660543879076714e-17, 8.049650545170971]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-4.72256889e-64 -3.48857951e-48  4.96098017e-31]
 [-8.50062401e-64 -6.27944311e-48  8.92976430e-31]
 [-8.14643134e-64 -6.01779965e-48  8.55769079e-31]
 [-6.41974209e-65 -4.74228777e-49  6.74383242e-32]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [2.39297509e-11 2.39297509e-11 5.35937390e-10 2.97329650e-25
 1.89628554e-34 1.04737365e-49]
energy per atom =  -4.065060325983705
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0