element(s):
['Al', 'Ti']
AFLOW prototype label:
AB3_cF16_225_a_bc
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.5945']
model name:
MEAM_LAMMPS_AlmyrasSangiovanniSarakinos_2019_NAlTi__MO_958395190627_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Ti', 'Ti']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.5  0.5  0.5 ]
 [0.25 0.25 0.25]]
spacegroup =  225
cell =  [[6.5945, 0, 0], [0, 6.5945, 0], [0, 0, 6.5945]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 14:08:50      -66.025208         1.319077
BFGS:    1 14:08:50      -66.099000         1.291484
BFGS:    2 14:08:51      -66.287107         1.216073
BFGS:    3 14:08:51      -66.463658         1.137391
BFGS:    4 14:08:52      -66.628155         1.055318
BFGS:    5 14:08:52      -66.780076         0.969701
BFGS:    6 14:08:52      -66.918882         0.880420
BFGS:    7 14:08:53      -67.044013         0.787351
BFGS:    8 14:08:53      -67.154892         0.690370
BFGS:    9 14:08:53      -67.250917         0.589228
BFGS:   10 14:08:54      -67.331433         0.483540
BFGS:   11 14:08:54      -67.395743         0.373135
BFGS:   12 14:08:55      -67.443129         0.257839
BFGS:   13 14:08:55      -67.472841         0.137472
BFGS:   14 14:08:55      -67.484107         0.011851
BFGS:   15 14:08:56      -67.484189         0.000278
BFGS:   16 14:08:56      -67.484189         0.000001
BFGS:   17 14:08:57      -67.484189         0.000000
Minimization converged after 17 steps.
Maximum force component: 2.2223169988992384e-31 eV/Angstrom
Maximum stress component: 1.521728203796965e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Al', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.21953497e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 3.65860491e-34]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 0.00000000e+00]
 [2.03093370e-49 5.00000000e-01 0.00000000e+00]
 [0.00000000e+00 1.21953497e-34 5.00000000e-01]
 [2.50000000e-01 2.50000000e-01 2.50000000e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]
 [2.50000000e-01 2.50000000e-01 7.50000000e-01]
 [7.50000000e-01 7.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 2.50000000e-01]]
cellpar =  Cell([[6.316932247474305, 4.045350067671495e-32, -1.0366873278343638e-32], [-4.544360678168851e-34, 6.316932247474305, -1.00531550148024e-17], [9.550988594810073e-32, -1.0053155014802465e-17, 6.316932247474305]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-9.08392350e-32 -7.13736846e-32 -2.22231700e-31]
 [ 6.81294262e-32  1.58968661e-31 -1.23281819e-31]
 [-1.48424821e-31  9.73277518e-33  1.91411245e-31]
 [ 1.75189953e-31  1.91005713e-31  2.17365312e-31]
 [-9.73277518e-32 -4.54196175e-32  8.75949766e-32]
 [ 9.40834934e-32  6.64059140e-32  1.97899762e-31]
 [ 1.20037561e-31  1.23687351e-32 -2.21015103e-31]
 [-5.48989350e-32 -8.43507182e-32 -1.94655504e-31]]
stress =  [ 1.52172820e-12  1.52172820e-12  1.52172820e-12 -5.29652225e-28
  2.57410807e-35 -7.38603024e-51]
energy per atom =  -4.217761837416687
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0