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_ZhangTrinkle_2016_TiO__MO_612732924171_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 15:19:04      -19.106164         0.570847
BFGS:    1 15:19:04      -19.119427         0.512984
BFGS:    2 15:19:04      -19.167414         0.117073
BFGS:    3 15:19:05      -19.169856         0.007149
BFGS:    4 15:19:05      -19.169865         0.000046
BFGS:    5 15:19:05      -19.169865         0.000000
BFGS:    6 15:19:05      -19.169865         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.1483803504814235e-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 0.00000000e+00]]
cellpar =  Cell([[4.146689645542586, 1.7919887133361845e-32, 5.452246124189676e-33], [2.1278105064417707e-32, 4.146689645542586, -1.7488493375990077e-18], [8.097706448730225e-34, -1.748849337599003e-18, 4.146689645542586]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.14838035e-14 -1.14838035e-14 -1.14838035e-14 -7.50857596e-31
  7.46700018e-36  4.53215760e-52]
energy per atom =  -4.7924662897398385
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0