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:
Sim_LAMMPS_MEAM_ZhangTrinkle_2016_TiO__SM_513612626462_000
==== 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 10:18:49        4.945070         1.643579
BFGS:    1 10:18:49        4.842931         1.773718
BFGS:    2 10:18:49        4.598103         1.986516
BFGS:    3 10:18:49        4.323743         2.123265
BFGS:    4 10:18:49        4.019267         2.339301
BFGS:    5 10:18:49        3.681163         2.525137
BFGS:    6 10:18:49        3.318220         2.625487
BFGS:    7 10:18:49        2.942827         2.633913
BFGS:    8 10:18:49        2.567926         2.549463
BFGS:    9 10:18:49        2.205113         2.461898
BFGS:   10 10:18:49        1.865642         2.313844
BFGS:   11 10:18:49        1.562089         2.075542
BFGS:   12 10:18:49        1.308465         1.763802
BFGS:   13 10:18:49        1.100930         1.457636
BFGS:   14 10:18:49        0.934084         1.195236
BFGS:   15 10:18:49        0.800406         0.967495
BFGS:   16 10:18:49        0.695409         0.765826
BFGS:   17 10:18:49        0.615039         0.590020
BFGS:   18 10:18:49        0.552832         0.524481
BFGS:   19 10:18:49        0.489934         0.575743
BFGS:   20 10:18:49        0.426622         0.544143
BFGS:   21 10:18:49        0.372762         0.413631
BFGS:   22 10:18:49        0.332088         0.285808
BFGS:   23 10:18:49        0.298154         0.246352
BFGS:   24 10:18:49        0.262785         0.281789
BFGS:   25 10:18:49        0.222387         0.309196
BFGS:   26 10:18:49        0.179501         0.306382
BFGS:   27 10:18:49        0.138910         0.269225
BFGS:   28 10:18:49        0.105278         0.207798
BFGS:   29 10:18:49        0.079639         0.155232
BFGS:   30 10:18:49        0.060229         0.119844
BFGS:   31 10:18:49        0.044921         0.100209
BFGS:   32 10:18:49        0.031967         0.090177
BFGS:   33 10:18:49        0.020499         0.083074
BFGS:   34 10:18:49        0.010704         0.071807
BFGS:   35 10:18:49        0.003636         0.051420
BFGS:   36 10:18:49        0.000467         0.021144
BFGS:   37 10:18:49        0.000034         0.005865
BFGS:   38 10:18:49        0.000000         0.000000
Minimization converged after 38 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 0.0 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([[5.569218959478619, 3.3793629005788893e-16, 2.058023569331497e-36], [-2.7846094797393093, 4.823085098146424, 1.0033295401258682e-35], [1.3637240035364372e-35, 4.233221460034665e-35, 8.925710214936325]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [0. 0. 0. 0. 0. 0.]
energy per atom =  0.0
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0