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 10:15:24      -10.231457         1.130043
BFGS:    1 10:15:24      -10.271048         0.535672
BFGS:    2 10:15:24      -10.287158         0.260486
BFGS:    3 10:15:24      -10.297957         0.301908
BFGS:    4 10:15:24      -10.326191         1.214802
BFGS:    5 10:15:24      -10.308860         0.435249
BFGS:    6 10:15:24      -10.324697         0.542164
BFGS:    7 10:15:24      -10.141726         5.168554
BFGS:    8 10:15:24      -10.332350         0.522125
BFGS:    9 10:15:24      -10.338432         0.443272
BFGS:   10 10:15:24      -10.314542         1.610239
BFGS:   11 10:15:24      -10.343786         0.243996
BFGS:   12 10:15:24      -10.345056         0.102449
BFGS:   13 10:15:24      -10.345281         0.019066
BFGS:   14 10:15:24      -10.345288         0.001063
BFGS:   15 10:15:24      -10.345288         0.000010
BFGS:   16 10:15:24      -10.345288         0.000000
Minimization converged after 16 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.914617706401648e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ti', 'Ti']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.2563460103618445, -3.761522151645176e-32, 3.931243008619829e-33], [-2.3519721722900127e-32, 3.2563460103618453, 1.676281533193701e-17], [9.109656006623467e-33, 1.6762815331936992e-17, 3.2563460103618445]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-2.91461771e-10 -2.91461771e-10 -2.91461771e-10  6.90708480e-27
  4.84337535e-35  2.07773969e-51]
energy per atom =  -5.172643993053663
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0