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_HennigLenoskyTrinkle_2008_Ti__SM_318953488749_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 11:18:54       -9.607225         0.767240
BFGS:    1 11:18:54       -9.629145         0.619485
BFGS:    2 11:18:54       -9.659842         0.185652
BFGS:    3 11:18:54       -9.662317         0.027320
BFGS:    4 11:18:54       -9.662356         0.009728
BFGS:    5 11:18:54       -9.662358         0.010042
BFGS:    6 11:18:54       -9.662366         0.006181
BFGS:    7 11:18:54       -9.662367         0.002119
BFGS:    8 11:18:54       -9.662368         0.000272
BFGS:    9 11:18:55       -9.662368         0.000020
BFGS:   10 11:18:55       -9.662368         0.000001
BFGS:   11 11:18:55       -9.662368         0.000000
BFGS:   12 11:18:55       -9.662368         0.000000
Minimization converged after 12 steps.
Maximum force component: 3.128181090963251e-32 eV/Angstrom
Maximum stress component: 1.4221950659898404e-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([[2.9304937210413344, 6.397617693567959e-18, 1.4947684639802965e-37], [-1.4652468605206672, 2.537882008052584, 8.21158623635664e-38], [-5.4841379593431746e-36, -1.4796431222426668e-35, 4.678286103685342]])
forces =  [[-6.02018732e-33  3.12818109e-32  1.62630428e-69]
 [ 6.02018732e-33 -3.12818109e-32 -1.62630428e-69]]
stress =  [ 1.42219507e-11  1.42219507e-11  7.64449144e-12 -2.07631026e-33
 -1.19875829e-33 -9.20747042e-28]
energy per atom =  -4.831183777795347
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0