element(s):
['Ni']
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:
['3.5048']
model name:
Sim_LAMMPS_MEAM_KoGrabowskiNeugebauer_2015_NiTi__SM_770142935022_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ni']
representative atom coordinates =  [[0 0 0]]
spacegroup =  225
cell =  [[3.5048, 0, 0], [0, 3.5048, 0], [0, 0, 3.5048]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:35:05      -17.794846         0.183108
BFGS:    1 16:35:05      -17.796181         0.157216
BFGS:    2 16:35:05      -17.799997         0.004115
BFGS:    3 16:35:05      -17.800000         0.000096
BFGS:    4 16:35:05      -17.800000         0.000000
BFGS:    5 16:35:05      -17.800000         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 8.326510116832855e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ni', 'Ni', 'Ni', 'Ni']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [3.40035610e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 8.54567103e-37 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[3.5213917413300346, 1.9232498434124303e-33, -4.729411605825376e-34], [2.3335895662731033e-33, 3.5213917413300346, 2.719788687221755e-20], [4.6780152308416656e-33, 2.7197886872213325e-20, 3.5213917413300346]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-8.32651012e-14 -8.32651012e-14 -8.32651012e-14  1.43046772e-30
 -8.02457881e-35 -5.71238371e-51]
energy per atom =  -4.450000000475032
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0