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_MendelevUnderwoodAckland_2016pot3_Ti__MO_819959112190_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 16:20:00      -21.381439         0.052976
BFGS:    1 16:20:00      -21.381553         0.047409
BFGS:    2 16:20:00      -21.382098         0.012520
BFGS:    3 16:20:00      -21.382157         0.005059
BFGS:    4 16:20:00      -21.382172         0.001383
BFGS:    5 16:20:00      -21.382173         0.000277
BFGS:    6 16:20:00      -21.382173         0.000023
BFGS:    7 16:20:00      -21.382173         0.000000
BFGS:    8 16:20:00      -21.382173         0.000000
Minimization converged after 8 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.1689737341613014e-11 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([[4.210305491500112, 2.5374092915854746e-32, -2.334119170880053e-32], [2.3907168471969335e-32, 4.210305491500112, 6.758591203418027e-19], [-3.3760018899801486e-33, 6.7585912034180045e-19, 4.210305491500112]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 4.16897373e-11  4.16897373e-11  4.16897373e-11  4.24825937e-27
 -2.89722351e-35 -1.64319672e-51]
energy per atom =  -5.345543335599976
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0