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:
MEAM_LAMMPS_ZhangTrinkle_2016_TiO__MO_612732924171_002
==== 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 09:49:47       -9.607225        0.7672
BFGS:    1 09:49:47       -9.629145        0.6195
BFGS:    2 09:49:47       -9.659842        0.1857
BFGS:    3 09:49:47       -9.662317        0.0273
BFGS:    4 09:49:47       -9.662356        0.0097
BFGS:    5 09:49:47       -9.662358        0.0100
BFGS:    6 09:49:47       -9.662366        0.0062
BFGS:    7 09:49:47       -9.662367        0.0021
BFGS:    8 09:49:47       -9.662368        0.0003
BFGS:    9 09:49:47       -9.662368        0.0000
BFGS:   10 09:49:47       -9.662368        0.0000
BFGS:   11 09:49:47       -9.662368        0.0000
BFGS:   12 09:49:47       -9.662368        0.0000
Minimization converged after 12 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.4222302482184189e-11 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([[2.9304937209013238, 3.656632198020873e-18, -6.797614530139018e-38], [-1.4652468604506619, 2.5378820079313322, -2.3632021666870457e-36], [7.666649500166781e-36, 1.761517579114953e-35, 4.678286103519714]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 1.42223025e-11  1.42223025e-11  7.64461353e-12  3.46051710e-34
 -6.73385332e-47 -1.39351929e-27]
energy per atom =  -4.831183777419506
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0