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:
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 =  225
cell =  [[4.2228, 0, 0], [0, 4.2228, 0], [0, 0, 4.2228]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 11:12:41      -19.276479         0.891020
BFGS:    1 11:12:41      -19.308699         0.795938
BFGS:    2 11:12:42      -19.398344         0.390697
BFGS:    3 11:12:42      -19.423516         0.051382
BFGS:    4 11:12:42      -19.423924         0.002743
BFGS:    5 11:12:43      -19.423925         0.000018
BFGS:    6 11:12:43      -19.423925         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.494093988879848e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ti', 'Ti', 'Ti', 'Ti']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 2.92779969e-36]]
cellpar =  Cell([[4.111299760856785, 9.23621258595169e-34, 9.360871279928912e-35], [2.1370121708646957e-34, 4.111299760856785, 1.7413468452487833e-19], [-1.4080443546478237e-35, 1.741346845248784e-19, 4.111299760856785]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-3.49409399e-10 -3.49409399e-10 -3.49409399e-10  2.60610742e-27
 -1.54658707e-60 -4.40198458e-60]
energy per atom =  -4.855981203367151
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0