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 13:54:36      -66.025208        1.3191
BFGS:    1 13:54:36      -66.099000        1.2915
BFGS:    2 13:54:37      -66.287107        1.2161
BFGS:    3 13:54:37      -66.463658        1.1374
BFGS:    4 13:54:37      -66.628155        1.0553
BFGS:    5 13:54:37      -66.780076        0.9697
BFGS:    6 13:54:38      -66.918882        0.8804
BFGS:    7 13:54:38      -67.044013        0.7874
BFGS:    8 13:54:38      -67.154892        0.6904
BFGS:    9 13:54:38      -67.250917        0.5892
BFGS:   10 13:54:38      -67.331433        0.4835
BFGS:   11 13:54:38      -67.395743        0.3731
BFGS:   12 13:54:38      -67.443129        0.2578
BFGS:   13 13:54:38      -67.472841        0.1375
BFGS:   14 13:54:38      -67.484107        0.0119
BFGS:   15 13:54:38      -67.484189        0.0003
BFGS:   16 13:54:38      -67.484189        0.0000
BFGS:   17 13:54:39      -67.484189        0.0000
Minimization converged after 17 steps.
Maximum force component: 1.086826561505467e-30 eV/Angstrom
Maximum stress component: 1.5213839227099432e-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 6.09767485e-35 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.08316464e-49 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 0.00000000e+00]
 [0.00000000e+00 6.09767485e-35 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([[6.316932247474304, -4.009211190929603e-33, 4.3413736989417295e-33], [1.0240965680431755e-32, 6.316932247474304, -4.295603217388611e-18], [-1.5983270928073315e-33, -4.295603217388603e-18, 6.316932247474304]])
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]
 [-7.78622014e-32  7.78622014e-31 -1.45991628e-31]
 [-2.33586604e-31 -5.06104309e-31  1.07060527e-31]
 [-5.64500960e-31  9.34346417e-31  1.55724403e-31]
 [ 2.20609571e-31 -4.21753591e-31 -2.72517705e-31]
 [ 2.46563638e-31  7.65644981e-31 -2.72517705e-31]
 [ 3.30914356e-31 -1.02842991e-30  2.20609571e-31]
 [ 2.20609571e-31 -1.08682656e-30 -2.17365312e-31]
 [-1.65457178e-31  8.56484216e-31  3.24425839e-31]]
stress =  [ 1.52138392e-12  1.52138392e-12  1.52138392e-12 -1.51582797e-28
  2.57410807e-35  3.72628185e-52]
energy per atom =  -4.217761837416688
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0