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_MaiselKoZhang_2017_VNiTi__SM_971529344487_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 10:10:55      -19.276479         0.891020
BFGS:    1 10:10:55      -19.308699         0.795938
BFGS:    2 10:10:55      -19.398344         0.390697
BFGS:    3 10:10:55      -19.423516         0.051382
BFGS:    4 10:10:55      -19.423924         0.002743
BFGS:    5 10:10:55      -19.423925         0.000018
BFGS:    6 10:10:55      -19.423925         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.494088500631884e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ti', 'Ti', 'Ti', 'Ti']
basis =  [[0.0000000e+00 0.0000000e+00 0.0000000e+00]
 [4.1606536e-50 5.0000000e-01 5.0000000e-01]
 [5.0000000e-01 0.0000000e+00 5.0000000e-01]
 [5.0000000e-01 5.0000000e-01 0.0000000e+00]]
cellpar =  Cell([[4.111299760856153, -4.127769346685629e-33, -1.9417772451161693e-33], [1.8091596839029896e-33, 4.111299760856153, 8.826592999050071e-20], [2.3875944813448906e-33, 8.826592999049858e-20, 4.111299760856153]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-3.49408850e-10 -3.49408850e-10 -3.49408850e-10  1.15995310e-28
 -7.59610467e-36  7.32594355e-53]
energy per atom =  -4.855981203369904
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0