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 10:09:37      -21.381439         0.052976
BFGS:    1 10:09:37      -21.381553         0.047409
BFGS:    2 10:09:37      -21.382098         0.012520
BFGS:    3 10:09:37      -21.382157         0.005059
BFGS:    4 10:09:37      -21.382172         0.001383
BFGS:    5 10:09:38      -21.382173         0.000277
BFGS:    6 10:09:38      -21.382173         0.000023
BFGS:    7 10:09:38      -21.382173         0.000000
BFGS:    8 10:09:38      -21.382173         0.000000
Minimization converged after 8 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.168984666630763e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ti', 'Ti', 'Ti', 'Ti']
basis =  [[0.0000000e+00 0.0000000e+00 0.0000000e+00]
 [6.5005047e-49 5.0000000e-01 5.0000000e-01]
 [5.0000000e-01 0.0000000e+00 5.0000000e-01]
 [5.0000000e-01 5.0000000e-01 0.0000000e+00]]
cellpar =  Cell([[4.210305491500113, 1.846809657028853e-36, -3.0009726815658406e-32], [2.878644653552058e-32, 4.210305491500113, 6.758492805930347e-19], [-2.3438929402439848e-32, 6.758492805930365e-19, 4.210305491500113]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 4.16898467e-11  4.16898467e-11  4.16898467e-11 -7.00244285e-27
  1.30375058e-34 -1.29281235e-50]
energy per atom =  -5.345543335599975
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0