element(s):
['Ti']
AFLOW prototype label:
A_cF4_225_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.2228']
model name:
EAM_Dynamo_ZhouJohnsonWadley_2004NISTretabulation_Ti__MO_101966451181_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ti']
representative atom coordinates =  [[0 0 0]]
spacegroup =  225
cell =  [[4.2228, 0, 0], [0, 4.2228, 0], [0, 0, 4.2228]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 10:09:37      -19.403497         0.509972
BFGS:    1 10:09:37      -19.414060         0.456409
BFGS:    2 10:09:37      -19.453482         0.060686
BFGS:    3 10:09:37      -19.454128         0.004707
BFGS:    4 10:09:37      -19.454132         0.000044
BFGS:    5 10:09:37      -19.454132         0.000000
BFGS:    6 10:09:37      -19.454132         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.2239337057332888e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ti', 'Ti', 'Ti', 'Ti']
basis =  [[0.  0.  0. ]
 [0.  0.5 0.5]
 [0.5 0.  0.5]
 [0.5 0.5 0. ]]
cellpar =  Cell([[4.154806300800171, -1.618891354028379e-33, -1.4585093160671512e-35], [-2.8138797857945794e-34, 4.154806300800171, 3.162353268754702e-20], [5.6398498825511724e-33, 3.1623532687548016e-20, 4.154806300800171]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.22393371e-14 -1.22393371e-14 -1.22393371e-14  4.65913001e-30
 -8.36758602e-36  1.60999087e-51]
energy per atom =  -4.863532963391112
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0