element(s):
['Ni']
AFLOW prototype label:
A_hP2_194_c
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.582', '1.5943455']
model name:
MEAM_LAMMPS_KavousiNovakBaskes_2019_NiTi__MO_050461957184_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ni']
representative atom coordinates =  [[0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[2.582, 0, 0], [-1.291, 2.2360775925714, 0], [0, 0, 4.1166]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:04:38       -8.826871        1.0292
BFGS:    1 15:04:38       -8.862492        0.8268
BFGS:    2 15:04:38       -8.914424        0.1737
BFGS:    3 15:04:38       -8.914874        0.1069
BFGS:    4 15:04:38       -8.915245        0.0653
BFGS:    5 15:04:38       -8.915840        0.0339
BFGS:    6 15:04:38       -8.915910        0.0093
BFGS:    7 15:04:38       -8.915916        0.0015
BFGS:    8 15:04:38       -8.915916        0.0001
BFGS:    9 15:04:38       -8.915916        0.0000
BFGS:   10 15:04:38       -8.915916        0.0000
BFGS:   11 15:04:38       -8.915916        0.0000
Minimization converged after 11 steps.
Maximum force component: 4.0969106390558797e-32 eV/Angstrom
Maximum stress component: 3.63015049594405e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ni', 'Ni']
basis =  [[0.33333333 0.66666667 0.25      ]
 [0.66666666 0.33333334 0.75      ]]
cellpar =  Cell([[2.4928565907266904, 1.4435245848623294e-17, 5.558745356206956e-37], [-1.2464282953633452, 2.1588771355607808, 2.535741741561002e-37], [-3.6144437749691186e-36, -2.124295283200187e-36, 4.052533578918464]])
forces =  [[ 3.58479681e-32 -2.66102152e-32  1.66504443e-32]
 [-4.09691064e-32  1.77401435e-32 -1.66504443e-32]]
stress =  [-1.38686043e-11 -1.38686043e-11 -3.63015050e-11 -4.97704856e-46
 -4.06701044e-34 -1.43773257e-27]
energy per atom =  -4.457958199683412
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0