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:
MEAM_LAMMPS_KoGrabowskiNeugebauer_2015_NiTi__MO_663355627503_002
==== 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 16:13:01       -9.455633         1.122712
BFGS:    1 16:13:01       -9.504271         0.895727
BFGS:    2 16:13:01       -9.578123         0.053113
BFGS:    3 16:13:01       -9.578339         0.007466
BFGS:    4 16:13:01       -9.578344         0.000051
BFGS:    5 16:13:01       -9.578344         0.000000
BFGS:    6 16:13:01       -9.578344         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.7342425128203517e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ti', 'Ti']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.280135276090118, 4.9433590517595856e-33, 6.989521995462206e-34], [7.577208553119423e-33, 3.280135276090119, -6.109759299955737e-19], [2.5412086089189705e-33, -6.109759299955775e-19, 3.280135276090118]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.73424251e-14 -1.73424251e-14 -1.73424251e-14  1.52509283e-30
  5.25071436e-34 -6.08472673e-50]
energy per atom =  -4.7891718387690485
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0