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_2016pset2_Ti__MO_938747375043_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 16:12:47      -10.231457         1.130043
BFGS:    1 16:12:47      -10.271048         0.535672
BFGS:    2 16:12:47      -10.287158         0.260486
BFGS:    3 16:12:47      -10.297957         0.301908
BFGS:    4 16:12:47      -10.326191         1.214802
BFGS:    5 16:12:47      -10.308860         0.435249
BFGS:    6 16:12:47      -10.324697         0.542164
BFGS:    7 16:12:47      -10.141726         5.168554
BFGS:    8 16:12:47      -10.332350         0.522125
BFGS:    9 16:12:47      -10.338432         0.443272
BFGS:   10 16:12:47      -10.314542         1.610239
BFGS:   11 16:12:47      -10.343786         0.243996
BFGS:   12 16:12:47      -10.345056         0.102449
BFGS:   13 16:12:47      -10.345281         0.019066
BFGS:   14 16:12:47      -10.345288         0.001063
BFGS:   15 16:12:47      -10.345288         0.000010
BFGS:   16 16:12:47      -10.345288         0.000000
Minimization converged after 16 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.9145987550144336e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ti', 'Ti']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.2563460103618453, 1.4354434990368162e-32, 3.644534127783176e-33], [5.5051537286947955e-33, 3.2563460103618453, 6.506518260329177e-17], [-1.3803510508098622e-32, 6.506518260329179e-17, 3.2563460103618453]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-2.91459876e-10 -2.91459876e-10 -2.91459876e-10  5.10571890e-26
  1.93735014e-34 -2.45784184e-50]
energy per atom =  -5.172643993053668
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0