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:
Sim_LAMMPS_MEAM_HennigLenoskyTrinkle_2008_Ti__SM_318953488749_000
==== 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 10:10:54      -19.106164         0.570847
BFGS:    1 10:10:54      -19.119427         0.512984
BFGS:    2 10:10:55      -19.167414         0.117073
BFGS:    3 10:10:55      -19.169856         0.007149
BFGS:    4 10:10:55      -19.169865         0.000046
BFGS:    5 10:10:55      -19.169865         0.000000
BFGS:    6 10:10:55      -19.169865         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.1847308564944028e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ti', 'Ti', 'Ti', 'Ti']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [3.30011563e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 3.62851551e-37]]
cellpar =  Cell([[4.146689645710161, 9.878762243482019e-33, -6.399223931161624e-33], [-1.2851248619650892e-32, 4.146689645710161, 1.1899432244196466e-20], [-3.910456908110129e-33, 1.1899432244191529e-20, 4.146689645710161]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.18473086e-14 -1.18473086e-14 -1.18473086e-14  1.06195968e-30
  1.02671253e-34 -1.57105445e-50]
energy per atom =  -4.792466290126631
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0