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_FarkasJones_1996_NbTiAl__MO_042691367780_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 15:17:53      -19.238790         0.637287
BFGS:    1 15:17:53      -19.255239         0.566611
BFGS:    2 15:17:53      -19.307632         0.114841
BFGS:    3 15:17:53      -19.309719         0.004799
BFGS:    4 15:17:53      -19.309723         0.000073
BFGS:    5 15:17:53      -19.309723         0.000000
BFGS:    6 15:17:53      -19.309723         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 6.01103640884056e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ti', 'Ti', 'Ti', 'Ti']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 4.64355633e-35 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[4.147532205755858, 1.5081908853184246e-32, 4.370895116220722e-34], [1.5617066764017304e-32, 4.147532205755858, 2.976966388945331e-18], [-7.78304740174272e-34, 2.976966388945332e-18, 4.147532205755858]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-6.01103641e-14 -6.01103641e-14 -6.01103641e-14 -2.02223706e-31
 -3.73198334e-36 -1.43244754e-53]
energy per atom =  -4.827430718439915
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0