element(s):
['Ni']
AFLOW prototype label:
A_cI2_229_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.7844']
model name:
Sim_LAMMPS_MEAM_MaiselKoZhang_2017_VNiTi__SM_971529344487_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ni']
representative atom coordinates =  [[0 0 0]]
spacegroup =  229
cell =  [[2.7844, 0, 0], [0, 2.7844, 0], [0, 0, 2.7844]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:21:00       -8.721556         0.137789
BFGS:    1 16:21:00       -8.722256         0.099287
BFGS:    2 16:21:00       -8.723023         0.002019
BFGS:    3 16:21:00       -8.723024         0.000031
BFGS:    4 16:21:00       -8.723024         0.000000
Minimization converged after 4 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 8.850141465701865e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ni', 'Ni']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.79435616111552, -1.5162645636023296e-33, -2.7736522032451137e-33], [-2.943559457515878e-33, 2.79435616111552, -7.957680803969512e-21], [7.104654201208551e-33, -7.957680803978236e-21, 2.79435616111552]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-8.85014147e-10 -8.85014147e-10 -8.85014147e-10 -3.37286244e-25
 -7.89272453e-34 -2.89521707e-49]
energy per atom =  -4.361511890156763
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0