element(s):
['Ti']
AFLOW prototype label:
A_cI2_229_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.397']
model name:
Sim_LAMMPS_MEAM_AlmyrasSangiovanniSarakinos_2019_NAlTi__SM_871795249052_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ti']
representative atom coordinates =  [[0 0 0]]
spacegroup =  229
cell =  [[3.397, 0, 0], [0, 3.397, 0], [0, 0, 3.397]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:14:03       -9.452978         1.177831
BFGS:    1 16:14:03       -9.507062         0.960934
BFGS:    2 16:14:03       -9.593940         0.153628
BFGS:    3 16:14:03       -9.595706         0.031744
BFGS:    4 16:14:03       -9.595781         0.000804
BFGS:    5 16:14:03       -9.595781         0.000004
BFGS:    6 16:14:03       -9.595781         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.9936127894210045e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ti', 'Ti']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.27003359190417, -1.8793055883285462e-32, -3.2380913116361676e-33], [-1.5651553211572442e-32, 3.2700335919041708, -3.959299194783478e-18], [1.0478458087208968e-32, -3.959299194783484e-18, 3.27003359190417]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-2.99361279e-11 -2.99361279e-11 -2.99361279e-11 -4.22727274e-27
 -5.76349653e-34 -7.47976942e-50]
energy per atom =  -4.797890718704619
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0