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 14:36:20        8.741221        19.323092
BFGS:    1 14:36:20        4.486800        19.778863
BFGS:    2 14:36:20       -0.001010        20.198184
BFGS:    3 14:36:20       -4.718433        20.472329
BFGS:    4 14:36:20       -8.901409        20.626821
BFGS:    5 14:36:20      -12.553789        17.432199
BFGS:    6 14:36:20      -14.711181        10.484074
BFGS:    7 14:36:20      -16.428771         4.075562
BFGS:    8 14:36:20      -17.005840         2.479438
BFGS:    9 14:36:20      -17.382025         2.023186
BFGS:   10 14:36:20      -17.684577         1.670008
BFGS:   11 14:36:20      -17.948045         1.556868
BFGS:   12 14:36:20      -18.186989         1.456995
BFGS:   13 14:36:20      -18.403008         1.275535
BFGS:   14 14:36:20      -18.584018         0.981379
BFGS:   15 14:36:20      -18.714906         0.554353
BFGS:   16 14:36:20      -18.784322         0.311010
BFGS:   17 14:36:20      -18.799308         0.163985
BFGS:   18 14:36:20      -18.800809         0.137053
BFGS:   19 14:36:20      -18.802881         0.034357
BFGS:   20 14:36:20      -18.802925         0.021895
BFGS:   21 14:36:20      -18.802941         0.025100
BFGS:   22 14:36:20      -18.802985         0.028256
BFGS:   23 14:36:20      -18.803048         0.025670
BFGS:   24 14:36:20      -18.803109         0.015324
BFGS:   25 14:36:20      -18.803135         0.007030
BFGS:   26 14:36:20      -18.803139         0.000621
BFGS:   27 14:36:20      -18.803139         0.000018
BFGS:   28 14:36:20      -18.803139         0.000001
BFGS:   29 14:36:20      -18.803139         0.000000
BFGS:   30 14:36:20      -18.803139         0.000000
Minimization converged after 30 steps.
Maximum force component: 1.2425013656836013e-09 eV/Angstrom
Maximum stress component: 2.1957918107735766e-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([[2.887424065080773, -1.3570617009802569e-17, 9.599432704239149e-35], [-1.4437120325403865, 2.500582591858483, 1.8277996382255052e-34], [3.24962905040261e-34, 9.811628713926126e-34, 8.988059000557758]])
forces =  [[-4.74536659e-32 -1.35634869e-43 -1.24250137e-09]
 [-5.93170823e-32 -2.05480401e-32 -1.24250137e-09]
 [ 7.11804988e-32 -4.10960801e-32  1.24250137e-09]
 [ 1.18634165e-32 -6.16441202e-32  1.24250137e-09]]
stress =  [ 1.25239354e-10  1.25239354e-10  2.19579181e-10 -9.19746165e-34
 -9.89470318e-36  2.53126117e-26]
energy per atom =  -4.700784826735791
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0