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_KoGrabowskiNeugebauer_2015_NiTi__MO_663355627503_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 13:53:28      -19.276479        0.8910
BFGS:    1 13:53:28      -19.308699        0.7959
BFGS:    2 13:53:28      -19.398344        0.3907
BFGS:    3 13:53:28      -19.423516        0.0514
BFGS:    4 13:53:28      -19.423924        0.0027
BFGS:    5 13:53:28      -19.423925        0.0000
BFGS:    6 13:53:28      -19.423925        0.0000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.494087863745447e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ti', 'Ti', 'Ti', 'Ti']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [6.65704576e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.87379180e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[4.111299760856808, 1.924249897026955e-32, 4.050769428175138e-33], [1.4009098446798453e-32, 4.111299760856808, 1.2646692119019e-17], [2.251250372420585e-32, 1.2646692119018973e-17, 4.111299760856808]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-3.49408786e-10 -3.49408786e-10 -3.49408786e-10  8.93814410e-26
 -3.02656971e-57  4.44665991e-59]
energy per atom =  -4.8559812033671514
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0