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:
MEAM_LAMMPS_HennigLenoskyTrinkle_2008_Ti__MO_520569947398_002
==== 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 16:20:12      -19.106164         0.570847
BFGS:    1 16:20:12      -19.119427         0.512984
BFGS:    2 16:20:12      -19.167414         0.117073
BFGS:    3 16:20:12      -19.169856         0.007149
BFGS:    4 16:20:12      -19.169865         0.000046
BFGS:    5 16:20:12      -19.169865         0.000000
BFGS:    6 16:20:12      -19.169865         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.1785005604408334e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ti', 'Ti', 'Ti', 'Ti']
basis =  [[0.0000000e+00 0.0000000e+00 0.0000000e+00]
 [0.0000000e+00 5.0000000e-01 5.0000000e-01]
 [5.0000000e-01 0.0000000e+00 5.0000000e-01]
 [5.0000000e-01 5.0000000e-01 9.2889997e-35]]
cellpar =  Cell([[4.146689645710161, -3.611694324509608e-33, -5.2856808523698614e-33], [-2.9659424389311266e-33, 4.146689645710161, -5.791542615580967e-18], [2.413433796572512e-32, -5.7915426155809944e-18, 4.146689645710161]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.17850056e-14 -1.17850056e-14 -1.17850056e-14 -3.99994521e-30
 -2.09076005e-34 -3.26033169e-50]
energy per atom =  -4.7924662901266215
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0