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_001
==== 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 12:01:02      -32.126578         0.690187
BFGS:    1 12:01:02      -32.143346         0.686911
BFGS:    2 12:01:02      -32.219884         0.665635
BFGS:    3 12:01:02      -32.284672         0.639022
BFGS:    4 12:01:02      -32.339089         0.607259
BFGS:    5 12:01:02      -32.384286         0.570498
BFGS:    6 12:01:02      -32.421235         0.528847
BFGS:    7 12:01:02      -32.450776         0.482344
BFGS:    8 12:01:03      -32.473651         0.430923
BFGS:    9 12:01:03      -32.490543         0.374323
BFGS:   10 12:01:03      -32.502118         0.311912
BFGS:   11 12:01:03      -32.509116         0.242151
BFGS:   12 12:01:03      -32.512574         0.163828
BFGS:   13 12:01:03      -32.514255         0.141300
BFGS:   14 12:01:03      -32.518409         0.074907
BFGS:   15 12:01:03      -32.520080         0.021388
BFGS:   16 12:01:04      -32.520468         0.008254
BFGS:   17 12:01:04      -32.520482         0.001119
BFGS:   18 12:01:04      -32.520483         0.000034
BFGS:   19 12:01:04      -32.520483         0.000001
BFGS:   20 12:01:04      -32.520483         0.000000
Minimization converged after 20 steps.
Maximum force component: 2.7781488944021682e-30 eV/Angstrom
Maximum stress component: 5.359378528402439e-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]
 [7.52632535e-36 5.00000000e-01 2.50000000e-01]
 [5.00000000e-01 9.15866167e-33 2.50000000e-01]
 [4.81553727e-35 5.00000000e-01 7.50000000e-01]
 [5.00000000e-01 4.88461956e-32 7.50000000e-01]
 [0.00000000e+00 1.83173233e-32 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 7.65620295e-34]]
cellpar =  Cell([[4.037473626275531, 1.1769968242761333e-37, -7.050618934633845e-32], [2.0506629367986985e-36, 4.037473626275532, 5.591398503274202e-17], [1.1075550972929174e-32, 1.2047812905296825e-16, 8.049650545170973]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-2.48828523e-32 -3.56401822e-47 -2.38127048e-30]
 [-1.24414262e-32 -4.15802126e-47 -2.77814889e-30]
 [-2.48828523e-32  1.85625949e-47  1.24024504e-30]
 [-1.24414262e-32  7.42503796e-49  4.96098017e-32]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [ 2.39302186e-11  2.39302186e-11  5.35937853e-10  3.59114972e-25
 -1.42221414e-34 -9.42438415e-50]
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