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 15:18:34      -19.276479         0.891020
BFGS:    1 15:18:34      -19.308699         0.795938
BFGS:    2 15:18:34      -19.398344         0.390697
BFGS:    3 15:18:34      -19.423516         0.051382
BFGS:    4 15:18:34      -19.423924         0.002743
BFGS:    5 15:18:34      -19.423925         0.000018
BFGS:    6 15:18:34      -19.423925         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.494078488191751e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ti', 'Ti', 'Ti', 'Ti']
basis =  [[0.  0.  0. ]
 [0.  0.5 0.5]
 [0.5 0.  0.5]
 [0.5 0.5 0. ]]
cellpar =  Cell([[4.111299760856788, -1.8596360812827803e-34, -1.1582904045788507e-35], [-1.454644207308544e-35, 4.111299760856788, 1.2872192879944468e-19], [-3.705769501891897e-36, 1.2872192879944475e-19, 4.111299760856788]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-3.49407849e-10 -3.49407849e-10 -3.49407849e-10  6.18335646e-27
 -1.82306512e-34  9.56682427e-52]
energy per atom =  -4.855981203367155
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0