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:
MEAM_LAMMPS_KimKimJung_2017_NiAlTi__MO_478967255435_002
==== 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 20:05:02       -9.707241         0.666265
BFGS:    1 20:05:02       -9.723322         0.513188
BFGS:    2 20:05:02       -9.745155         0.060115
BFGS:    3 20:05:02       -9.745382         0.005966
BFGS:    4 20:05:02       -9.745383         0.003915
BFGS:    5 20:05:02       -9.745384         0.004065
BFGS:    6 20:05:02       -9.745385         0.002571
BFGS:    7 20:05:02       -9.745385         0.000897
BFGS:    8 20:05:02       -9.745385         0.000117
BFGS:    9 20:05:02       -9.745385         0.000009
BFGS:   10 20:05:02       -9.745385         0.000001
BFGS:   11 20:05:02       -9.745385         0.000000
BFGS:   12 20:05:02       -9.745385         0.000000
Minimization converged after 12 steps.
Maximum force component: 7.260817271759741e-32 eV/Angstrom
Maximum stress component: 2.8311644969274347e-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([[2.945337399261994, 1.0700243897964468e-17, -6.759542540336912e-36], [-1.472668699630997, 2.5507370104772784, -6.738292547881107e-36], [2.6320748171769513e-36, 1.4633035432635513e-36, 4.687408021240421]])
forces =  [[-7.26081727e-32  4.19203481e-32  1.92589215e-32]
 [ 7.26081727e-32 -4.19203481e-32 -1.92589215e-32]]
stress =  [ 1.60914416e-11  1.60914416e-11  2.83116450e-11 -3.43637667e-34
  1.81906515e-47 -4.09892623e-27]
energy per atom =  -4.872692726240497
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0