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:
MEAM_LAMMPS_KoGrabowskiNeugebauer_2015_NiTi__MO_663355627503_002
==== 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 21:47:49       -8.721556         0.137789
BFGS:    1 21:47:49       -8.722256         0.099287
BFGS:    2 21:47:49       -8.723023         0.002019
BFGS:    3 21:47:49       -8.723024         0.000031
BFGS:    4 21:47:49       -8.723024         0.000000
Minimization converged after 4 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 8.850136199517038e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ni', 'Ni']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.7943561611155343, 7.598007844835194e-35, -1.2033977011253717e-34], [4.262211061828939e-33, 2.7943561611155343, 1.5701379720287728e-18], [5.009335111348324e-35, 1.5701379720287724e-18, 2.7943561611155343]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-8.85013620e-10 -8.85013620e-10 -8.85013620e-10 -7.85928498e-27
  6.57727044e-35  5.01792298e-52]
energy per atom =  -4.3615118901548025
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0