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 09:35:26      -10.231457        1.1300
BFGS:    1 09:35:26      -10.271048        0.5357
BFGS:    2 09:35:26      -10.287158        0.2605
BFGS:    3 09:35:26      -10.297957        0.3019
BFGS:    4 09:35:26      -10.326191        1.2148
BFGS:    5 09:35:26      -10.308860        0.4352
BFGS:    6 09:35:26      -10.324697        0.5422
BFGS:    7 09:35:26      -10.141726        5.1686
BFGS:    8 09:35:26      -10.332350        0.5221
BFGS:    9 09:35:27      -10.338432        0.4433
BFGS:   10 09:35:27      -10.314542        1.6102
BFGS:   11 09:35:27      -10.343786        0.2440
BFGS:   12 09:35:27      -10.345056        0.1024
BFGS:   13 09:35:27      -10.345281        0.0191
BFGS:   14 09:35:27      -10.345288        0.0011
BFGS:   15 09:35:27      -10.345288        0.0000
BFGS:   16 09:35:27      -10.345288        0.0000
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