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_HennigLenoskyTrinkle_2008_Ti__MO_520569947398_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 18:58:58       -9.607225         0.767240
BFGS:    1 18:58:58       -9.629145         0.619485
BFGS:    2 18:58:58       -9.659842         0.185652
BFGS:    3 18:58:58       -9.662317         0.027320
BFGS:    4 18:58:58       -9.662356         0.009728
BFGS:    5 18:58:58       -9.662358         0.010042
BFGS:    6 18:58:58       -9.662366         0.006181
BFGS:    7 18:58:58       -9.662367         0.002119
BFGS:    8 18:58:58       -9.662368         0.000272
BFGS:    9 18:58:58       -9.662368         0.000020
BFGS:   10 18:58:58       -9.662368         0.000001
BFGS:   11 18:58:58       -9.662368         0.000000
BFGS:   12 18:58:58       -9.662368         0.000000
Minimization converged after 12 steps.
Maximum force component: 8.341816242568668e-32 eV/Angstrom
Maximum stress component: 1.4222044716596808e-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([[2.9304937210413358, 5.047932146957693e-18, -3.3783253983262016e-36], [-1.4652468605206679, 2.5378820080525837, -1.0252169136770379e-35], [2.7112667072809204e-36, 5.466167719438397e-36, 4.678286103685341]])
forces =  [[ 7.22422478e-32 -8.34181624e-32  3.09219926e-67]
 [-2.40807493e-32 -4.14803784e-50  2.77607170e-68]]
stress =  [ 1.42220447e-11  1.42220447e-11  7.64452531e-12 -5.19077566e-34
 -8.99068717e-34 -4.95359416e-28]
energy per atom =  -4.831183777795349
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0