element(s):
['Ti']
AFLOW prototype label:
A_cF4_225_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.2228']
model name:
MEAM_LAMMPS_JeongParkDo_2018_PdTi__MO_086900950763_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ti']
representative atom coordinates =  [[0 0 0]]
spacegroup =  225
cell =  [[4.2228, 0, 0], [0, 4.2228, 0], [0, 0, 4.2228]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 10:11:25      -19.202913         0.718491
BFGS:    1 10:11:25      -19.223829         0.639695
BFGS:    2 10:11:25      -19.289351         0.225304
BFGS:    3 10:11:25      -19.297735         0.022439
BFGS:    4 10:11:25      -19.297816         0.000681
BFGS:    5 10:11:25      -19.297816         0.000002
BFGS:    6 10:11:25      -19.297816         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 9.575528012429682e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ti', 'Ti', 'Ti', 'Ti']
basis =  [[0.  0.  0. ]
 [0.  0.5 0.5]
 [0.5 0.  0.5]
 [0.5 0.5 0. ]]
cellpar =  Cell([[4.133002590216922, -8.081828629406478e-33, -2.0926454254764846e-34], [-6.850915557832787e-33, 4.133002590216922, -3.726138979008299e-18], [1.2498931438301504e-33, -3.726138979008299e-18, 4.133002590216922]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-9.57552801e-12 -9.57552801e-12 -9.57552801e-12  6.45390320e-29
  9.39567281e-37  6.77625937e-54]
energy per atom =  -4.824453926326028
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0