element(s):
['O']
AFLOW prototype label:
A_hP4_194_f
Parameter names:
['a', 'c/a', 'z1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.5258', '3.3934595', '0.67829089']
model name:
Sim_LAMMPS_MEAM_ZhangTrinkle_2016_TiO__SM_513612626462_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['O']
representative atom coordinates =  [[0.33333333 0.66666667 0.67829089]]
spacegroup =  194
cell =  [[2.5258, 0, 0], [-1.2629, 2.1874069648787, 0], [0, 0, 8.5712]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:21:50        8.741221        19.323092
BFGS:    1 16:21:50        4.486800        19.778863
BFGS:    2 16:21:50       -0.001010        20.198184
BFGS:    3 16:21:50       -4.718433        20.472329
BFGS:    4 16:21:50       -8.901409        20.626821
BFGS:    5 16:21:50      -12.553789        17.432199
BFGS:    6 16:21:50      -14.711181        10.484074
BFGS:    7 16:21:50      -16.428771         4.075562
BFGS:    8 16:21:50      -17.005840         2.479438
BFGS:    9 16:21:50      -17.382025         2.023186
BFGS:   10 16:21:50      -17.684577         1.670008
BFGS:   11 16:21:50      -17.948045         1.556868
BFGS:   12 16:21:50      -18.186989         1.456995
BFGS:   13 16:21:50      -18.403008         1.275535
BFGS:   14 16:21:50      -18.584018         0.981379
BFGS:   15 16:21:50      -18.714906         0.554353
BFGS:   16 16:21:50      -18.784322         0.311010
BFGS:   17 16:21:50      -18.799308         0.163985
BFGS:   18 16:21:50      -18.800809         0.137053
BFGS:   19 16:21:50      -18.802881         0.034357
BFGS:   20 16:21:50      -18.802925         0.021895
BFGS:   21 16:21:50      -18.802941         0.025100
BFGS:   22 16:21:50      -18.802985         0.028256
BFGS:   23 16:21:50      -18.803048         0.025670
BFGS:   24 16:21:50      -18.803109         0.015324
BFGS:   25 16:21:50      -18.803135         0.007030
BFGS:   26 16:21:50      -18.803139         0.000621
BFGS:   27 16:21:50      -18.803139         0.000018
BFGS:   28 16:21:50      -18.803139         0.000001
BFGS:   29 16:21:50      -18.803139         0.000000
BFGS:   30 16:21:50      -18.803139         0.000000
Minimization converged after 30 steps.
Maximum force component: 1.2424949541456343e-09 eV/Angstrom
Maximum stress component: 2.1957844047282973e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['O', 'O', 'O', 'O']
basis =  [[0.33333333 0.66666667 0.6202341 ]
 [0.66666666 0.33333334 0.1202341 ]
 [0.66666666 0.33333334 0.3797659 ]
 [0.33333333 0.66666667 0.8797659 ]]
cellpar =  Cell([[2.8874240650807717, -3.059695847301747e-17, -4.7280283188692344e-34], [-1.4437120325403858, 2.5005825918584814, -9.28982627834267e-34], [-1.5685955256141664e-33, -4.2157981188939736e-33, 8.988059000557756]])
forces =  [[-8.30439153e-32  6.16441202e-32 -1.24249495e-09]
 [ 8.30439153e-32 -2.05480401e-32 -1.24249495e-09]
 [ 8.30439153e-32 -6.16441202e-32  1.24249495e-09]
 [-8.30439153e-32  2.05480401e-32  1.24249495e-09]]
stress =  [1.25237684e-10 1.25237684e-10 2.19578440e-10 1.11942312e-41
 1.26652191e-33 3.68216940e-26]
energy per atom =  -4.700784826735788
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0