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_SaLee_2008_FeTi__MO_260546967793_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 22:35:27      -19.235282         0.639153
BFGS:    1 22:35:27      -19.251934         0.576507
BFGS:    2 22:35:27      -19.311346         0.208465
BFGS:    3 22:35:28      -19.319469         0.019716
BFGS:    4 22:35:28      -19.319539         0.000588
BFGS:    5 22:35:28      -19.319539         0.000002
BFGS:    6 22:35:28      -19.319539         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 7.078490797770184e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ti', 'Ti', 'Ti', 'Ti']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [4.96658698e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 4.65989985e-35]]
cellpar =  Cell([[4.1329856976539405, -2.567089070864326e-32, -1.3997118424526815e-32], [-3.236659985335985e-33, 4.1329856976539405, -2.735485601579319e-18], [-1.80662405343582e-32, -2.735485601579308e-18, 4.1329856976539405]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-7.07849080e-12 -7.07849080e-12 -7.07849080e-12  7.19119600e-28
 -1.87914992e-36 -1.76475032e-52]
energy per atom =  -4.829884832026697
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0