element(s):
['Ti']
AFLOW prototype label:
A_cI2_229_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.397']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ti']
representative atom coordinates =  [[0 0 0]]
spacegroup =  229
cell =  [[3.397, 0, 0], [0, 3.397, 0], [0, 0, 3.397]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 11:17:00      -17.671545        11.459722
BFGS:    1 11:17:01      -18.692182         2.854951
BFGS:    2 11:17:01      -18.781425         0.787932
BFGS:    3 11:17:01      -18.789641         0.085690
BFGS:    4 11:17:01      -18.789744         0.003025
BFGS:    5 11:17:01      -18.789744         0.000012
BFGS:    6 11:17:02      -18.789744         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 8.332410416998854e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ti', 'Ti']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.5222016592571115, 1.1833356318227329e-32, -3.102568417266884e-33], [7.038589186495064e-33, 3.5222016592571124, -3.6058329659011166e-18], [-1.0148549581763967e-32, -3.605832965901114e-18, 3.5222016592571115]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-8.33241042e-11 -8.33241042e-11 -8.33241042e-11 -2.90709466e-26
 -3.31185085e-34 -9.81881217e-50]
energy per atom =  -9.394872071508633
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0