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:
EAM_Dynamo_MendelevUnderwoodAckland_2016pot3_Ti__MO_819959112190_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 13:53:15      -10.512125        1.0031
BFGS:    1 13:53:15      -10.542247        0.4309
BFGS:    2 13:53:15      -10.551742        0.1943
BFGS:    3 13:53:15      -10.556529        0.1944
BFGS:    4 13:53:15      -10.622914        0.2743
BFGS:    5 13:53:15      -10.428084        3.6763
BFGS:    6 13:53:15      -10.625159        0.1532
BFGS:    7 13:53:15      -10.625811        0.0794
BFGS:    8 13:53:15      -10.626032        0.0070
BFGS:    9 13:53:15      -10.626034        0.0003
BFGS:   10 13:53:15      -10.626034        0.0000
BFGS:   11 13:53:15      -10.626034        0.0000
Minimization converged after 11 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 6.039139235882771e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ti', 'Ti']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.242166330193545, 1.055986308262084e-32, 9.436040740826165e-33], [6.471723164061315e-33, 3.242166330193546, -2.226766179510175e-17], [-5.646224930871488e-33, -2.2267661795101728e-17, 3.242166330193545]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-6.03913924e-12 -6.03913924e-12 -6.03913924e-12  2.80495645e-28
 -1.95433328e-34  1.56167377e-50]
energy per atom =  -5.3130168301631535
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0