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 16:20:14      -19.235282         0.639153
BFGS:    1 16:20:14      -19.251934         0.576507
BFGS:    2 16:20:14      -19.311346         0.208465
BFGS:    3 16:20:14      -19.319469         0.019716
BFGS:    4 16:20:14      -19.319539         0.000588
BFGS:    5 16:20:14      -19.319539         0.000002
BFGS:    6 16:20:14      -19.319539         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 7.078490797770187e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ti', 'Ti', 'Ti', 'Ti']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [2.06941124e-50 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([[4.1329856976539405, 1.4183675466518522e-33, -8.90318609738515e-34], [-1.0093970849877411e-33, 4.1329856976539405, -2.7164214996228324e-18], [-3.3874153207792245e-32, -2.7164214996227985e-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  6.31894445e-27
 -1.87914992e-36  6.27240259e-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