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_FarkasJones_1996_NbTiAl__MO_042691367780_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 09:35:27       -9.577320        1.0457
BFGS:    1 09:35:27       -9.618748        0.8032
BFGS:    2 09:35:27       -9.679780        0.0311
BFGS:    3 09:35:27       -9.679876        0.0012
BFGS:    4 09:35:27       -9.679877        0.0000
BFGS:    5 09:35:27       -9.679877        0.0000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.774108592535891e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ti', 'Ti']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.2840963658609312, 2.6735017943959165e-33, -1.6073801302606476e-33], [-5.6832004761446876e-33, 3.284096365860932, -4.033415967409731e-19], [-4.7636953239368775e-34, -4.033415967409716e-19, 3.2840963658609312]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 4.77410859e-11  4.77410859e-11  4.77410859e-11  6.14737959e-27
  9.52373778e-35 -1.81446119e-50]
energy per atom =  -4.839938303561491
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0