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:
Sim_LAMMPS_MEAM_AlmyrasSangiovanniSarakinos_2019_NAlTi__SM_871795249052_000
==== 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 10:05:02      -66.025208         1.319077
BFGS:    1 10:05:02      -66.099000         1.291483
BFGS:    2 10:05:02      -66.287107         1.216072
BFGS:    3 10:05:02      -66.463658         1.137391
BFGS:    4 10:05:02      -66.628155         1.055318
BFGS:    5 10:05:02      -66.780076         0.969701
BFGS:    6 10:05:02      -66.918882         0.880419
BFGS:    7 10:05:02      -67.044013         0.787351
BFGS:    8 10:05:02      -67.154892         0.690370
BFGS:    9 10:05:02      -67.250917         0.589228
BFGS:   10 10:05:02      -67.331433         0.483540
BFGS:   11 10:05:02      -67.395743         0.373135
BFGS:   12 10:05:02      -67.443129         0.257839
BFGS:   13 10:05:02      -67.472841         0.137472
BFGS:   14 10:05:02      -67.484107         0.011851
BFGS:   15 10:05:02      -67.484189         0.000278
BFGS:   16 10:05:02      -67.484189         0.000001
BFGS:   17 10:05:02      -67.484189         0.000000
Minimization converged after 17 steps.
Maximum force component: 7.656449806426574e-31 eV/Angstrom
Maximum stress component: 1.5216691979151772e-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]
 [8.66531714e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 0.00000000e+00]
 [1.73306343e-48 5.00000000e-01 0.00000000e+00]
 [8.66531714e-49 0.00000000e+00 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, 3.029490484359327e-32, -3.6154960752040273e-32], [4.969618532220851e-32, 6.316932247474305, 3.2217426166682684e-17], [-5.649595687854877e-32, 3.2217426166682697e-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]
 [ 2.85494739e-31  4.28242108e-31 -2.49807896e-31]
 [-5.74233735e-31 -5.25569860e-31 -1.16793302e-31]
 [ 1.42747369e-31  3.89311007e-31  7.00759813e-31]
 [-7.13736846e-31 -4.34730625e-31 -7.65644981e-31]
 [-1.81678470e-31 -5.19081343e-32 -1.42747369e-31]
 [ 1.36258852e-31  2.01144020e-31  2.33586604e-31]
 [ 3.89311007e-32 -1.33014594e-31 -6.61828712e-31]
 [-1.84922728e-31 -6.48851679e-32  3.89311007e-32]]
stress =  [ 1.52166920e-12  1.52166920e-12  1.52166920e-12  3.91720421e-28
 -2.18799186e-34 -5.26768499e-50]
energy per atom =  -4.217761837416693
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0