element(s):
['Al', 'Ni']
AFLOW prototype label:
AB_cP2_221_a_b
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.8655']
model name:
MEAM_LAMMPS_MahataMukhopadhyayAsleZaeem_2022_AlNi__MO_461927113651_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Ni']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  221
cell =  [[2.8655, 0, 0], [0, 2.8655, 0], [0, 0, 2.8655]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 14:43:33       -5.734339        5.6884
BFGS:    1 14:43:34       -6.443747        3.8359
BFGS:    2 14:43:34       -6.903089        2.3435
BFGS:    3 14:43:34       -7.161809        1.1518
BFGS:    4 14:43:34       -7.260003        0.2383
BFGS:    5 14:43:34       -7.265105        0.0335
BFGS:    6 14:43:34       -7.265212        0.0012
BFGS:    7 14:43:34       -7.265212        0.0000
BFGS:    8 14:43:34       -7.265212        0.0000
Minimization converged after 8 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 9.053288255992947e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Ni']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.170788891417706, 8.483391003441351e-33, -3.358180556293123e-32], [2.5929030954087264e-33, 3.170788891417706, 6.570953938325466e-17], [-7.20887238086938e-33, 6.570953938325465e-17, 3.170788891417706]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-9.05328826e-11 -9.05328826e-11 -9.05328826e-11 -1.89688867e-26
 -4.76969752e-60  2.06700130e-59]
energy per atom =  -3.6326060939912486
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0