element(s):
['Al', 'Ni']
AFLOW prototype label:
AB3_cP4_221_a_c
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.5446']
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.  0.5 0.5]]
spacegroup =  221
cell =  [[3.5446, 0, 0], [0, 3.5446, 0], [0, 0, 3.5446]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:40:56      -14.124948         4.457448
BFGS:    1 16:40:56      -14.722858         3.531836
BFGS:    2 16:40:56      -15.189417         2.704604
BFGS:    3 16:40:56      -15.538722         1.967062
BFGS:    4 16:40:56      -15.783620         1.311226
BFGS:    5 16:40:56      -15.935808         0.729761
BFGS:    6 16:40:56      -16.005929         0.215934
BFGS:    7 16:40:56      -16.013268         0.018678
BFGS:    8 16:40:56      -16.013325         0.000546
BFGS:    9 16:40:56      -16.013325         0.000001
BFGS:   10 16:40:56      -16.013325         0.000000
Minimization converged after 10 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 8.609664640419092e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Ni', 'Ni', 'Ni']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [1.11630276e-50 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 5.02738069e-35]]
cellpar =  Cell([[3.8308814562398696, -1.2498793114561207e-33, 1.680353781382885e-34], [-2.3467088869245475e-34, 3.8308814562398696, 1.6786110688185495e-18], [-1.036165856499317e-34, 1.6786110688185493e-18, 3.8308814562398696]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-8.60966464e-12 -8.60966464e-12 -8.60966464e-12 -1.67604283e-28
  5.59927469e-34  6.77018190e-51]
energy per atom =  -4.003331321977413
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0