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_ZhouJohnsonWadley_2004_CuAgAuNiPdPtAlPbFeMoTaWMgCoTiZr__MO_870117231765_000
==== 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 14:50:39       -9.717706         0.519923
BFGS:    1 14:50:39       -9.726124         0.416344
BFGS:    2 14:50:39       -9.738812         0.158068
BFGS:    3 14:50:39       -9.739143         0.121358
BFGS:    4 14:50:39       -9.739958         0.051602
BFGS:    5 14:50:39       -9.740292         0.027758
BFGS:    6 14:50:39       -9.740348         0.006808
BFGS:    7 14:50:39       -9.740351         0.001137
BFGS:    8 14:50:39       -9.740351         0.000030
BFGS:    9 14:50:39       -9.740351         0.000001
BFGS:   10 14:50:39       -9.740351         0.000000
BFGS:   11 14:50:39       -9.740351         0.000000
Minimization converged after 11 steps.
Maximum force component: 7.843125623366625e-32 eV/Angstrom
Maximum stress component: 1.2606861895636475e-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([[2.9401849310053, -6.107966673199116e-19, 2.8784773471448394e-37], [-1.47009246550265, 2.5462748420747876, 7.341347613239586e-37], [2.0125609908090608e-36, 9.497476889668954e-36, 4.7723245939805325]])
forces =  [[-5.43608659e-32  3.13852606e-32 -7.84312562e-32]
 [ 5.43608659e-32 -3.13852606e-32  7.84312562e-32]]
stress =  [-1.06548813e-11 -1.06548813e-11 -1.26068619e-11  2.53585966e-34
  1.46407925e-34 -3.08739090e-27]
energy per atom =  -4.870175338626152
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Skipping parameter set 0 because of error while adding or validating property:
 
ERROR(@kim_property_modify): input value "Hexagonal Close Packed" doesn't meet the format specification. An integer equal to or greater than 1 or integer indices range of "start:stop".
No parameter sets in this group successfully added a property instance. Skipping this group.