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 15:29:46        8.741221       19.3231
BFGS:    1 15:29:46        4.486800       19.7789
BFGS:    2 15:29:46       -0.001010       20.1982
BFGS:    3 15:29:46       -4.718433       20.4723
BFGS:    4 15:29:46       -8.901409       20.6268
BFGS:    5 15:29:46      -12.553789       17.4322
BFGS:    6 15:29:46      -14.711181       10.4841
BFGS:    7 15:29:46      -16.428771        4.0756
BFGS:    8 15:29:46      -17.005840        2.4794
BFGS:    9 15:29:46      -17.382025        2.0232
BFGS:   10 15:29:46      -17.684577        1.6700
BFGS:   11 15:29:46      -17.948045        1.5569
BFGS:   12 15:29:46      -18.186989        1.4570
BFGS:   13 15:29:46      -18.403008        1.2755
BFGS:   14 15:29:46      -18.584018        0.9814
BFGS:   15 15:29:46      -18.714906        0.5544
BFGS:   16 15:29:46      -18.784322        0.3110
BFGS:   17 15:29:46      -18.799308        0.1640
BFGS:   18 15:29:46      -18.800809        0.1371
BFGS:   19 15:29:46      -18.802881        0.0344
BFGS:   20 15:29:46      -18.802925        0.0219
BFGS:   21 15:29:46      -18.802941        0.0251
BFGS:   22 15:29:46      -18.802985        0.0283
BFGS:   23 15:29:46      -18.803048        0.0257
BFGS:   24 15:29:46      -18.803109        0.0153
BFGS:   25 15:29:46      -18.803135        0.0070
BFGS:   26 15:29:46      -18.803139        0.0006
BFGS:   27 15:29:46      -18.803139        0.0000
BFGS:   28 15:29:46      -18.803139        0.0000
BFGS:   29 15:29:46      -18.803139        0.0000
BFGS:   30 15:29:46      -18.803139        0.0000
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