element(s):
['Ti']
AFLOW prototype label:
A_hP2_194_c
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.0022', '1.5915662']
model name:
EAM_Dynamo_ZopeMishin_2003_TiAl__MO_117656786760_005
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ti']
representative atom coordinates =  [[0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[3.0022, 0, 0], [-1.5011, 2.5999814672416, 0], [0, 0, 4.7782]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 09:49:35       -9.665243        0.6360
BFGS:    1 09:49:35       -9.680416        0.4924
BFGS:    2 09:49:35       -9.699798        0.0539
BFGS:    3 09:49:35       -9.699937        0.0279
BFGS:    4 09:49:35       -9.699952        0.0259
BFGS:    5 09:49:35       -9.700023        0.0003
BFGS:    6 09:49:35       -9.700023        0.0000
BFGS:    7 09:49:35       -9.700023        0.0000
BFGS:    8 09:49:35       -9.700023        0.0000
Minimization converged after 8 steps.
Maximum force component: 3.63954209348716e-32 eV/Angstrom
Maximum stress component: 9.231162917354914e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ti', 'Ti']
basis =  [[0.33333333 0.66666667 0.25      ]
 [0.66666666 0.33333334 0.75      ]]
cellpar =  Cell([[2.952747340393539, 1.2138726934463181e-17, -5.839834037782168e-38], [-1.4763736701967696, 2.5571542077377414, -1.7797292223678799e-37], [-5.6448847918267034e-36, 3.350895132252631e-35, 4.680808050194362]])
forces =  [[ 3.63954209e-32 -2.10129061e-32  9.82580343e-70]
 [-3.63954209e-32  2.10129061e-32 -9.82580343e-70]]
stress =  [ 9.23116292e-11  9.23116292e-11  3.87055863e-11 -1.71629311e-33
  5.94541373e-34 -3.73323570e-26]
energy per atom =  -4.850011363251176
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0