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 15:14:04       -9.607225         0.767240
BFGS:    1 15:14:04       -9.629145         0.619485
BFGS:    2 15:14:04       -9.659842         0.185652
BFGS:    3 15:14:04       -9.662317         0.027320
BFGS:    4 15:14:04       -9.662356         0.009728
BFGS:    5 15:14:04       -9.662358         0.010042
BFGS:    6 15:14:04       -9.662366         0.006181
BFGS:    7 15:14:04       -9.662367         0.002119
BFGS:    8 15:14:04       -9.662368         0.000272
BFGS:    9 15:14:04       -9.662368         0.000020
BFGS:   10 15:14:04       -9.662368         0.000001
BFGS:   11 15:14:04       -9.662368         0.000000
BFGS:   12 15:14:04       -9.662368         0.000000
Minimization converged after 12 steps.
Maximum force component: 1.9221442763729683e-32 eV/Angstrom
Maximum stress component: 1.4221838343227704e-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([[2.930493721041334, 6.679182836272611e-18, -1.624346483275407e-38], [-1.465246860520667, 2.537882008052584, -9.389424982511848e-38], [-2.9417350057663625e-37, -2.5481316470295856e-35, 4.678286103685342]])
forces =  [[-1.20865611e-69 -1.04693825e-67  1.92214428e-32]
 [ 1.20865611e-69  1.04693825e-67 -1.92214428e-32]]
stress =  [ 1.42218383e-11  1.42218383e-11  7.64450459e-12  1.21118099e-33
  2.99689572e-34 -3.23469116e-27]
energy per atom =  -4.8311837777953475
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0