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 15:14:32       -9.707241         0.666265
BFGS:    1 15:14:32       -9.723322         0.513188
BFGS:    2 15:14:32       -9.745155         0.060115
BFGS:    3 15:14:32       -9.745382         0.005966
BFGS:    4 15:14:32       -9.745383         0.003915
BFGS:    5 15:14:32       -9.745384         0.004065
BFGS:    6 15:14:32       -9.745385         0.002571
BFGS:    7 15:14:32       -9.745385         0.000897
BFGS:    8 15:14:32       -9.745385         0.000117
BFGS:    9 15:14:32       -9.745385         0.000009
BFGS:   10 15:14:32       -9.745385         0.000001
BFGS:   11 15:14:32       -9.745385         0.000000
BFGS:   12 15:14:32       -9.745385         0.000000
Minimization converged after 12 steps.
Maximum force component: 3.8517843070582817e-32 eV/Angstrom
Maximum stress component: 2.8311692073480323e-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, -3.2021968777099198e-18, 7.985421691448962e-37], [-1.472668699630997, 2.550737010477278, 7.55663690090891e-37], [5.297268752671922e-36, -3.509674280083448e-36, 4.687408021240421]])
forces =  [[ 2.11773837e-32  1.57201305e-32  3.85178431e-32]
 [-2.11773837e-32 -1.57201305e-32 -3.85178431e-32]]
stress =  [ 1.60913369e-11  1.60913369e-11  2.83116921e-11  1.71818834e-34
 -2.97598950e-34  4.75667139e-27]
energy per atom =  -4.872692726240498
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0