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 15:57:06      -14.127947         4.521105
BFGS:    1 15:57:06      -14.716802         3.606206
BFGS:    2 15:57:06      -15.176660         2.789375
BFGS:    3 15:57:06      -15.522153         2.061663
BFGS:    4 15:57:06      -15.766523         1.415002
BFGS:    5 15:57:06      -15.921812         0.842189
BFGS:    6 15:57:06      -15.999101         0.337090
BFGS:    7 15:57:06      -16.012453         0.067510
BFGS:    8 15:57:06      -16.012612         0.039955
BFGS:    9 15:57:06      -16.012655         0.033599
BFGS:   10 15:57:06      -16.012883         0.035796
BFGS:   11 15:57:06      -16.013109         0.033710
BFGS:   12 15:57:06      -16.013282         0.016861
BFGS:   13 15:57:06      -16.013322         0.005406
BFGS:   14 15:57:06      -16.013325         0.000607
BFGS:   15 15:57:06      -16.013325         0.000030
BFGS:   16 15:57:06      -16.013325         0.000002
BFGS:   17 15:57:06      -16.013325         0.000000
BFGS:   18 15:57:06      -16.013325         0.000000
Minimization converged after 18 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.9541440426714356e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Ni', 'Ni', 'Ni']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 4.02190455e-34]
 [8.20482527e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]]
cellpar =  Cell([[3.830881456275744, 2.2099890734614826e-34, 2.605976960209875e-32], [9.65250834387197e-35, 3.830881456275743, 8.448064757951085e-18], [-1.036473018956523e-32, 8.309839611544011e-18, 3.830881456167912]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-3.22629402e-12 -3.22629402e-12 -1.95414404e-11 -6.81934527e-27
 -1.36482321e-33 -4.94677107e-49]
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.