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_JeongParkDo_2018_PdTi__MO_086900950763_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         0.060116
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         0.000898
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: 3.8517842962159713e-32 eV/Angstrom
Maximum stress component: 2.8334509854474247e-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([[2.945337401889587, 2.3090184110532243e-17, 6.297185205385572e-37], [-1.4726687009447934, 2.550737012752839, -6.559448892257026e-37], [-1.1945849524008262e-36, -6.96099033131191e-36, 4.687408008045931]])
forces =  [[-9.81626424e-69 -5.72005535e-68  3.85178430e-32]
 [ 9.81626424e-69  5.72005535e-68 -3.85178430e-32]]
stress =  [ 1.61030347e-11  1.61030347e-11  2.83345099e-11  1.90611519e-34
  3.25498852e-35 -5.26233826e-27]
energy per atom =  -4.872692726027674
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0