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:
Sim_LAMMPS_MEAM_KoGrabowskiNeugebauer_2015_NiTi__SM_770142935022_000
==== 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 11:17:11       -9.455633         1.122712
BFGS:    1 11:17:11       -9.504271         0.895727
BFGS:    2 11:17:11       -9.578123         0.053113
BFGS:    3 11:17:12       -9.578339         0.007466
BFGS:    4 11:17:12       -9.578344         0.000051
BFGS:    5 11:17:12       -9.578344         0.000000
BFGS:    6 11:17:12       -9.578344         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.749885531073079e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ti', 'Ti']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.280135276090168, -9.793487784564886e-33, 8.641795518458964e-34], [-2.834209933031875e-32, 3.280135276090169, -2.4994842362073715e-18], [-2.31993181772412e-33, -2.4994842362073657e-18, 3.280135276090168]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.74988553e-14 -1.74988553e-14 -1.74988553e-14  5.74972477e-31
 -1.65089178e-64  5.60917661e-62]
energy per atom =  -4.78917183876905
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0