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 16:12:48      -10.512125         1.003076
BFGS:    1 16:12:48      -10.542247         0.430938
BFGS:    2 16:12:48      -10.551742         0.194251
BFGS:    3 16:12:48      -10.556529         0.194386
BFGS:    4 16:12:48      -10.622914         0.274345
BFGS:    5 16:12:48      -10.428084         3.676267
BFGS:    6 16:12:48      -10.625159         0.153151
BFGS:    7 16:12:48      -10.625811         0.079359
BFGS:    8 16:12:48      -10.626032         0.006996
BFGS:    9 16:12:48      -10.626034         0.000272
BFGS:   10 16:12:48      -10.626034         0.000001
BFGS:   11 16:12:48      -10.626034         0.000000
Minimization converged after 11 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 6.0388129279909436e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ti', 'Ti']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.2421663301935455, 4.479702685233147e-33, 4.4920732713451e-33], [-3.933412601927233e-33, 3.2421663301935464, 2.023689854602112e-19], [2.7159980331656452e-33, 2.0236898546022366e-19, 3.242166330193545]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-6.03881293e-12 -6.03881293e-12 -6.03881293e-12 -1.58207362e-27
  2.44524648e-35  3.24366773e-51]
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