element(s):
['Al', 'Ni']
AFLOW prototype label:
AB3_tP4_123_a_ce
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:
['3.559', '0.98817083']
model name:
MEAM_LAMMPS_MahataMukhopadhyayAsleZaeem_2022_AlNi__MO_461927113651_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Ni', 'Ni']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0. ]
 [0.  0.5 0.5]]
spacegroup =  123
cell =  [[3.559, 0, 0], [0, 3.559, 0], [0, 0, 3.5169]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 00:24:21      -14.127947         4.521105
BFGS:    1 00:24:21      -14.716802         3.606206
BFGS:    2 00:24:21      -15.176660         2.789375
BFGS:    3 00:24:21      -15.522153         2.061663
BFGS:    4 00:24:21      -15.766523         1.415002
BFGS:    5 00:24:21      -15.921812         0.842189
BFGS:    6 00:24:21      -15.999101         0.337090
BFGS:    7 00:24:21      -16.012453         0.067510
BFGS:    8 00:24:21      -16.012612         0.039955
BFGS:    9 00:24:21      -16.012655         0.033599
BFGS:   10 00:24:21      -16.012883         0.035796
BFGS:   11 00:24:21      -16.013109         0.033710
BFGS:   12 00:24:21      -16.013282         0.016861
BFGS:   13 00:24:21      -16.013322         0.005406
BFGS:   14 00:24:21      -16.013325         0.000607
BFGS:   15 00:24:21      -16.013325         0.000030
BFGS:   16 00:24:21      -16.013325         0.000002
BFGS:   17 00:24:22      -16.013325         0.000000
BFGS:   18 00:24:22      -16.013325         0.000000
Minimization converged after 18 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.9541495719964827e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Ni', 'Ni', 'Ni']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0. ]
 [0.  0.5 0.5]
 [0.5 0.  0.5]]
cellpar =  Cell([[3.830881456275744, 2.1854126655304607e-34, -1.7810145154595734e-32], [5.253289619603804e-35, 3.830881456275743, 1.4609073535885366e-17], [-2.525809886901444e-32, 1.4324509713012766e-17, 3.830881456167912]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-3.22636314e-12 -3.22636314e-12 -1.95414957e-11 -4.82901955e-27
  1.07570343e-43  2.78789907e-59]
energy per atom =  -4.003331321977416
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Prototype label changed during relaxation: test template prototype is AB3_tP4_123_a_ce, while relaxed is AB3_cP4_221_a_c. Skipping parameter set 0.
No parameter sets in this group successfully added a property instance. Skipping this group.