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 18:58:58      -19.106164         0.570847
BFGS:    1 18:58:58      -19.119427         0.512984
BFGS:    2 18:58:58      -19.167414         0.117073
BFGS:    3 18:58:58      -19.169856         0.007149
BFGS:    4 18:58:58      -19.169865         0.000046
BFGS:    5 18:58:58      -19.169865         0.000000
BFGS:    6 18:58:59      -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 =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 1.85779994e-34]]
cellpar =  Cell([[4.146689645710161, -1.3823343467353855e-33, -5.5203657688765044e-33], [6.537525293402346e-36, 4.146689645710161, -5.791542841271803e-18], [1.2964411425847643e-32, -5.7915428412718275e-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 -2.11722343e-31
 -2.09076005e-34 -3.13623256e-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