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_ZhangTrinkle_2016_TiO__MO_612732924171_002
==== 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 22:16:13      -19.106164         0.570847
BFGS:    1 22:16:13      -19.119427         0.512984
BFGS:    2 22:16:13      -19.167414         0.117073
BFGS:    3 22:16:13      -19.169856         0.007149
BFGS:    4 22:16:13      -19.169865         0.000046
BFGS:    5 22:16:13      -19.169865         0.000000
BFGS:    6 22:16:13      -19.169865         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.148380350481423e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ti', 'Ti', 'Ti', 'Ti']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [2.06257227e-50 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[4.146689645542586, 2.4774608345466085e-33, 1.318120200404252e-32], [1.4859280809114737e-33, 4.146689645542586, -1.728284649167023e-19], [1.0126144484976168e-33, -1.7282846491671888e-19, 4.146689645542586]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.14838035e-14 -1.14838035e-14 -1.14838035e-14 -1.18945263e-30
  1.70969685e-63 -4.15582863e-64]
energy per atom =  -4.7924662897398385
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0