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_KavousiNovakBaskes_2019_NiTi__MO_050461957184_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 09:34:07      -19.179677        0.8438
BFGS:    1 09:34:07      -19.208566        0.7534
BFGS:    2 09:34:07      -19.291718        0.3467
BFGS:    3 09:34:07      -19.311602        0.0426
BFGS:    4 09:34:07      -19.311885        0.0020
BFGS:    5 09:34:07      -19.311886        0.0000
BFGS:    6 09:34:07      -19.311886        0.0000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.5814477462574558e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ti', 'Ti', 'Ti', 'Ti']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [3.11618179e-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([[4.1169840157962, -1.1357303262565618e-32, -2.929135625175348e-33], [-6.8433586604849994e-34, 4.1169840157962, 3.806828400286179e-19], [2.136260587818166e-33, 3.806828400286169e-19, 4.116984015796201]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.58144775e-10 -1.58144775e-10 -1.58144775e-10 -2.10420131e-28
 -2.27254305e-35  2.63987628e-52]
energy per atom =  -4.827971449532327
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0